smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC1CC(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000638600822 1013200814 /nfs/dbraw/zinc/20/08/14/1013200814.db2.gz FKAAUAHZLQLYBN-KLHKWILBSA-N 2 2 304.478 3.521 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Br ZINC000037649093 1013206320 /nfs/dbraw/zinc/20/63/20/1013206320.db2.gz GUAFDXDOIDINAL-QWHCGFSZSA-N 2 2 323.278 3.584 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Br ZINC000037649093 1013206328 /nfs/dbraw/zinc/20/63/28/1013206328.db2.gz GUAFDXDOIDINAL-QWHCGFSZSA-N 2 2 323.278 3.584 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000319978680 1013500768 /nfs/dbraw/zinc/50/07/68/1013500768.db2.gz XCQRXXDCHYQQIC-CZUORRHYSA-N 2 2 316.405 3.557 20 0 DHADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCSc1cc(Cl)ccc1Cl ZINC000124633002 1013543731 /nfs/dbraw/zinc/54/37/31/1013543731.db2.gz STYKITXNPYKWHA-CMPLNLGQSA-N 2 2 319.301 3.897 20 0 DHADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCSc1cc(Cl)ccc1Cl ZINC000124633002 1013543735 /nfs/dbraw/zinc/54/37/35/1013543735.db2.gz STYKITXNPYKWHA-CMPLNLGQSA-N 2 2 319.301 3.897 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655687516 1013639498 /nfs/dbraw/zinc/63/94/98/1013639498.db2.gz YZUDRJKGQOZWLC-ZWKOTPCHSA-N 2 2 322.880 3.634 20 0 DHADLP CC(C)(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655688309 1013640413 /nfs/dbraw/zinc/64/04/13/1013640413.db2.gz WQNRLBAEEGOBOK-RBUKOAKNSA-N 2 2 316.489 3.617 20 0 DHADLP CCCCC1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655701334 1013648610 /nfs/dbraw/zinc/64/86/10/1013648610.db2.gz SDHOIPCQTJZOCL-FAFZWHIHSA-N 2 2 308.510 3.578 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+]C3CC[NH+](C)CC3)s2)cc1C ZINC000655704492 1013651402 /nfs/dbraw/zinc/65/14/02/1013651402.db2.gz CYVLMAWGGSNAOM-UHFFFAOYSA-N 2 2 315.486 3.611 20 0 DHADLP Cc1ccccc1[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000655711767 1013658220 /nfs/dbraw/zinc/65/82/20/1013658220.db2.gz LQXLHQOTFZJJBC-AZUAARDMSA-N 2 2 316.489 3.535 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnc2ccsc2c1 ZINC000068690917 1013692040 /nfs/dbraw/zinc/69/20/40/1013692040.db2.gz RVINWVZKMNIPLH-JGGQBBKZSA-N 2 2 301.459 3.574 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cnc2ccsc2c1 ZINC000068690917 1013692041 /nfs/dbraw/zinc/69/20/41/1013692041.db2.gz RVINWVZKMNIPLH-JGGQBBKZSA-N 2 2 301.459 3.574 20 0 DHADLP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655755651 1013692221 /nfs/dbraw/zinc/69/22/21/1013692221.db2.gz HGLLGDAAPJLTCV-ZHALLVOQSA-N 2 2 322.537 3.824 20 0 DHADLP C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000340248508 1013765372 /nfs/dbraw/zinc/76/53/72/1013765372.db2.gz DNBYEZMIOULLMZ-MAUKXSAKSA-N 2 2 319.408 3.527 20 0 DHADLP c1cn(-c2csc(C[NH2+]C[C@H]3CCC4(CCCC4)O3)c2)c[nH+]1 ZINC000655862739 1013791763 /nfs/dbraw/zinc/79/17/63/1013791763.db2.gz DMYBSKSDIGERPZ-OAHLLOKOSA-N 2 2 317.458 3.515 20 0 DHADLP Oc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CCC2 ZINC000340473055 1013846177 /nfs/dbraw/zinc/84/61/77/1013846177.db2.gz GMSQYRFGSBXZOA-GOSISDBHSA-N 2 2 311.429 3.647 20 0 DHADLP CCCCCCOc1ccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210473260 1013876098 /nfs/dbraw/zinc/87/60/98/1013876098.db2.gz CIINLGREYVXBMU-KRWDZBQOSA-N 2 2 304.478 3.830 20 0 DHADLP CCCCCCOc1ccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)cc1 ZINC001210473260 1013876105 /nfs/dbraw/zinc/87/61/05/1013876105.db2.gz CIINLGREYVXBMU-KRWDZBQOSA-N 2 2 304.478 3.830 20 0 DHADLP C[C@H](CCSc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000580150431 1014045075 /nfs/dbraw/zinc/04/50/75/1014045075.db2.gz OPCWNRMVQCLALJ-IXDOHACOSA-N 2 2 304.503 3.726 20 0 DHADLP C[C@H](CCSc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000580150431 1014045082 /nfs/dbraw/zinc/04/50/82/1014045082.db2.gz OPCWNRMVQCLALJ-IXDOHACOSA-N 2 2 304.503 3.726 20 0 DHADLP C[C@H](CCSc1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000580150431 1014045086 /nfs/dbraw/zinc/04/50/86/1014045086.db2.gz OPCWNRMVQCLALJ-IXDOHACOSA-N 2 2 304.503 3.726 20 0 DHADLP C[C@H](CCSc1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000580150431 1014045094 /nfs/dbraw/zinc/04/50/94/1014045094.db2.gz OPCWNRMVQCLALJ-IXDOHACOSA-N 2 2 304.503 3.726 20 0 DHADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(OCc2ccccc2)c1 ZINC000155632213 1014062501 /nfs/dbraw/zinc/06/25/01/1014062501.db2.gz CQSQLFKNYDFSHW-KRWDZBQOSA-N 2 2 321.424 3.813 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCCS2 ZINC000155713617 1014100386 /nfs/dbraw/zinc/10/03/86/1014100386.db2.gz PPMVFRABISNWQB-AWEZNQCLSA-N 2 2 307.850 3.753 20 0 DHADLP C[C@@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1(Cl)Cl ZINC000824773707 1030629354 /nfs/dbraw/zinc/62/93/54/1030629354.db2.gz MYHDLMQQCVZTBV-LBPRGKRZSA-N 2 2 316.257 3.607 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261587449 1014312696 /nfs/dbraw/zinc/31/26/96/1014312696.db2.gz JKQMPFITILZOLX-VNQPRFMTSA-N 2 2 323.278 3.584 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261587449 1014312710 /nfs/dbraw/zinc/31/27/10/1014312710.db2.gz JKQMPFITILZOLX-VNQPRFMTSA-N 2 2 323.278 3.584 20 0 DHADLP c1coc(C[NH+](C2CC2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001168003326 1014347667 /nfs/dbraw/zinc/34/76/67/1014347667.db2.gz NNHLVGHJPLIAMV-JWTNVVGKSA-N 2 2 300.446 3.649 20 0 DHADLP c1coc(C[NH+](C2CC2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001168003326 1014347678 /nfs/dbraw/zinc/34/76/78/1014347678.db2.gz NNHLVGHJPLIAMV-JWTNVVGKSA-N 2 2 300.446 3.649 20 0 DHADLP c1coc(C[N@H+](C2CC2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001168003326 1014347689 /nfs/dbraw/zinc/34/76/89/1014347689.db2.gz NNHLVGHJPLIAMV-JWTNVVGKSA-N 2 2 300.446 3.649 20 0 DHADLP c1coc(C[N@@H+](C2CC2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)c1 ZINC001168003326 1014347700 /nfs/dbraw/zinc/34/77/00/1014347700.db2.gz NNHLVGHJPLIAMV-JWTNVVGKSA-N 2 2 300.446 3.649 20 0 DHADLP CC(C)[C@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CS1 ZINC000895112121 1014442319 /nfs/dbraw/zinc/44/23/19/1014442319.db2.gz LYSBHLYIAUESIV-QBPKDAKJSA-N 2 2 319.518 3.688 20 0 DHADLP C[C@@H](C1CC(F)(F)C1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112774 1014445183 /nfs/dbraw/zinc/44/51/83/1014445183.db2.gz DULZDQQPSCIQOO-QEJZJMRPSA-N 2 2 309.404 3.592 20 0 DHADLP COC1(C[C@@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCC1 ZINC000895112779 1014445364 /nfs/dbraw/zinc/44/53/64/1014445364.db2.gz RXPMNQZXWLBOGG-BRWVUGGUSA-N 2 2 317.477 3.506 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc3cc[nH]c3c2)c2cccc[nH+]2)CC1 ZINC000895116750 1014449540 /nfs/dbraw/zinc/44/95/40/1014449540.db2.gz SRTAGZYRZIMGEX-IYARVYRRSA-N 2 2 320.440 3.839 20 0 DHADLP CCCSC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895132637 1014513635 /nfs/dbraw/zinc/51/36/35/1014513635.db2.gz XFHPRBCUIZLNPM-BZUAXINKSA-N 2 2 307.507 3.690 20 0 DHADLP CCCSC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895132638 1014514811 /nfs/dbraw/zinc/51/48/11/1014514811.db2.gz XFHPRBCUIZLNPM-JYJNAYRXSA-N 2 2 307.507 3.690 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427847951 1014536526 /nfs/dbraw/zinc/53/65/26/1014536526.db2.gz WHZQIURJVRBSHI-QMTHXVAHSA-N 2 2 322.239 3.782 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427839558 1014536688 /nfs/dbraw/zinc/53/66/88/1014536688.db2.gz FAHHPTNCYIKZIJ-GXTWGEPZSA-N 2 2 319.836 3.601 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc12 ZINC000427849787 1014537118 /nfs/dbraw/zinc/53/71/18/1014537118.db2.gz GMTZFMDJYAXVEL-GJZGRUSLSA-N 2 2 321.424 3.711 20 0 DHADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427878917 1014542689 /nfs/dbraw/zinc/54/26/89/1014542689.db2.gz RMRAVIMAJWSIMN-KBPBESRZSA-N 2 2 309.413 3.857 20 0 DHADLP Clc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000427881577 1014547037 /nfs/dbraw/zinc/54/70/37/1014547037.db2.gz ZTXRTCBLIZVZEO-RDJZCZTQSA-N 2 2 301.821 3.592 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1OC(F)(F)F ZINC000665249326 1014554615 /nfs/dbraw/zinc/55/46/15/1014554615.db2.gz NMKVLJLAQXNAER-LLVKDONJSA-N 2 2 302.340 3.507 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1OC(F)(F)F ZINC000665249327 1014555962 /nfs/dbraw/zinc/55/59/62/1014555962.db2.gz NMKVLJLAQXNAER-NSHDSACASA-N 2 2 302.340 3.507 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccsc1 ZINC000665252610 1014567105 /nfs/dbraw/zinc/56/71/05/1014567105.db2.gz UMIBKYZSKQMVNB-KZNAEPCWSA-N 2 2 300.471 3.935 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276608 1014651213 /nfs/dbraw/zinc/65/12/13/1014651213.db2.gz HUUTXSITFZGZHS-DTVQEZCTSA-N 2 2 313.470 3.521 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)o1 ZINC000067250191 1014665628 /nfs/dbraw/zinc/66/56/28/1014665628.db2.gz MUGWDFPQRQKVHL-RHSMWYFYSA-N 2 2 307.397 3.879 20 0 DHADLP FC(F)C1CCC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000442707986 1014719005 /nfs/dbraw/zinc/71/90/05/1014719005.db2.gz ICUPUIKUEVNNTE-UHFFFAOYSA-N 2 2 319.399 3.845 20 0 DHADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000442787534 1014735948 /nfs/dbraw/zinc/73/59/48/1014735948.db2.gz WWQJSTGHARULLC-ZIAGYGMSSA-N 2 2 301.459 3.833 20 0 DHADLP C[C@H](CC1CCOCC1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442874689 1014756007 /nfs/dbraw/zinc/75/60/07/1014756007.db2.gz NLANXLLCASWXHA-GOSISDBHSA-N 2 2 322.537 3.828 20 0 DHADLP Cc1ccc([C@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347672427 1014773003 /nfs/dbraw/zinc/77/30/03/1014773003.db2.gz LUGDJGNPAWNKIO-QGZVFWFLSA-N 2 2 315.486 3.850 20 0 DHADLP Cc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347672427 1014773015 /nfs/dbraw/zinc/77/30/15/1014773015.db2.gz LUGDJGNPAWNKIO-QGZVFWFLSA-N 2 2 315.486 3.850 20 0 DHADLP Clc1c2ccccc2sc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261745718 1014853988 /nfs/dbraw/zinc/85/39/88/1014853988.db2.gz MLJNEEZZGONWRE-AAEUAGOBSA-N 2 2 306.862 3.739 20 0 DHADLP Clc1c2ccccc2sc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261745718 1014853993 /nfs/dbraw/zinc/85/39/93/1014853993.db2.gz MLJNEEZZGONWRE-AAEUAGOBSA-N 2 2 306.862 3.739 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456662 1014870848 /nfs/dbraw/zinc/87/08/48/1014870848.db2.gz PCWDASJKDHBGKJ-SWLSCSKDSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456662 1014870858 /nfs/dbraw/zinc/87/08/58/1014870858.db2.gz PCWDASJKDHBGKJ-SWLSCSKDSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456662 1014870868 /nfs/dbraw/zinc/87/08/68/1014870868.db2.gz PCWDASJKDHBGKJ-SWLSCSKDSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456662 1014870876 /nfs/dbraw/zinc/87/08/76/1014870876.db2.gz PCWDASJKDHBGKJ-SWLSCSKDSA-N 2 2 321.515 3.644 20 0 DHADLP Cc1c[nH+]c(CNc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1C ZINC000341147416 1014931459 /nfs/dbraw/zinc/93/14/59/1014931459.db2.gz OTGXVGFQRVWTJX-OAHLLOKOSA-N 2 2 312.461 3.573 20 0 DHADLP Cc1c[nH+]c(CNc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1C ZINC000341147416 1014931467 /nfs/dbraw/zinc/93/14/67/1014931467.db2.gz OTGXVGFQRVWTJX-OAHLLOKOSA-N 2 2 312.461 3.573 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCC(F)(F)CC1 ZINC000474060319 1014937601 /nfs/dbraw/zinc/93/76/01/1014937601.db2.gz RFIGOENVWDZQRB-DZGCQCFKSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCC(F)(F)CC1 ZINC000474060319 1014937611 /nfs/dbraw/zinc/93/76/11/1014937611.db2.gz RFIGOENVWDZQRB-DZGCQCFKSA-N 2 2 300.437 3.807 20 0 DHADLP Cc1cc2c(s1)N(c1ccc[n+](C)c1)c1ccccc1NC2=[NH2+] ZINC001167469776 1014988319 /nfs/dbraw/zinc/98/83/19/1014988319.db2.gz YEAACDFJYCRCFY-UHFFFAOYSA-N 2 2 321.429 3.701 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1F ZINC000692324060 1015020163 /nfs/dbraw/zinc/02/01/63/1015020163.db2.gz YCQXMOMEPYZMSJ-SECBINFHSA-N 2 2 305.224 3.877 20 0 DHADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204771539 1015039038 /nfs/dbraw/zinc/03/90/38/1015039038.db2.gz PXROECSTIYHXKC-HXUWFJFHSA-N 2 2 309.457 3.686 20 0 DHADLP Cc1ccc(N(C)c2ccc(C[N@H+]3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204771539 1015039051 /nfs/dbraw/zinc/03/90/51/1015039051.db2.gz PXROECSTIYHXKC-HXUWFJFHSA-N 2 2 309.457 3.686 20 0 DHADLP COc1ccc2oc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)cc2c1 ZINC000895669829 1015253596 /nfs/dbraw/zinc/25/35/96/1015253596.db2.gz CNZDARAEOSVZLQ-UHFFFAOYSA-N 2 2 314.429 3.502 20 0 DHADLP C[C@H](CC1CCC1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684411570 1015291134 /nfs/dbraw/zinc/29/11/34/1015291134.db2.gz YXOCPOVGVFPFGS-UWTIGNOOSA-N 2 2 318.427 3.960 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1 ZINC000474458001 1015375677 /nfs/dbraw/zinc/37/56/77/1015375677.db2.gz HDADMKUSYPBZQM-BRWVUGGUSA-N 2 2 304.478 3.651 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CCC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC000581881556 1015427753 /nfs/dbraw/zinc/42/77/53/1015427753.db2.gz VLZXMONTFRICJM-GOSISDBHSA-N 2 2 309.457 3.998 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000399068450 1015464703 /nfs/dbraw/zinc/46/47/03/1015464703.db2.gz NCUBITKSGKGTLN-CQDKDKBSSA-N 2 2 311.267 3.630 20 0 DHADLP CC[N@H+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C1CC1 ZINC000474613954 1015486053 /nfs/dbraw/zinc/48/60/53/1015486053.db2.gz MRZBMUQZOAKCBU-FPMFFAJLSA-N 2 2 312.910 3.967 20 0 DHADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C1CC1 ZINC000474613954 1015486058 /nfs/dbraw/zinc/48/60/58/1015486058.db2.gz MRZBMUQZOAKCBU-FPMFFAJLSA-N 2 2 312.910 3.967 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1 ZINC000530223005 1015670503 /nfs/dbraw/zinc/67/05/03/1015670503.db2.gz SKRYOPXSRKLERG-LSDHHAIUSA-N 2 2 323.278 3.774 20 0 DHADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000639380269 1015696255 /nfs/dbraw/zinc/69/62/55/1015696255.db2.gz WFGUWAXZRKTHJT-UHFFFAOYSA-N 2 2 315.436 3.680 20 0 DHADLP CCc1ccc2[nH+]ccc(N3CCc4c([nH+]cn4CC)C3)c2c1 ZINC000896655039 1015698209 /nfs/dbraw/zinc/69/82/09/1015698209.db2.gz SGAWJIDGLXCANK-UHFFFAOYSA-N 2 2 306.413 3.576 20 0 DHADLP CCc1cc(N2CCc3c([nH+]cn3CC)C2)c2ccccc2[nH+]1 ZINC000896660585 1015694860 /nfs/dbraw/zinc/69/48/60/1015694860.db2.gz RFNBPKUCHUVFEG-UHFFFAOYSA-N 2 2 306.413 3.576 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474928164 1015709248 /nfs/dbraw/zinc/70/92/48/1015709248.db2.gz SAECNEGGBHBBRE-DVOMOZLQSA-N 2 2 303.837 3.633 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000276848881 1015713957 /nfs/dbraw/zinc/71/39/57/1015713957.db2.gz UDTBFFSRILNWRG-UHFFFAOYSA-N 2 2 305.372 3.524 20 0 DHADLP Fc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1Cl ZINC000535804057 1015836187 /nfs/dbraw/zinc/83/61/87/1015836187.db2.gz NUIQWSCFUJHPIQ-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1Cl ZINC000535804057 1015836194 /nfs/dbraw/zinc/83/61/94/1015836194.db2.gz NUIQWSCFUJHPIQ-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000535804057 1015836202 /nfs/dbraw/zinc/83/62/02/1015836202.db2.gz NUIQWSCFUJHPIQ-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000535804057 1015836209 /nfs/dbraw/zinc/83/62/09/1015836209.db2.gz NUIQWSCFUJHPIQ-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)on2)cc1 ZINC000277136032 1015904740 /nfs/dbraw/zinc/90/47/40/1015904740.db2.gz ITEPFPQWJIQJKV-QGZVFWFLSA-N 2 2 313.445 3.566 20 0 DHADLP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)on2)cc1 ZINC000277136032 1015904748 /nfs/dbraw/zinc/90/47/48/1015904748.db2.gz ITEPFPQWJIQJKV-QGZVFWFLSA-N 2 2 313.445 3.566 20 0 DHADLP CC[C@H](CSC)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361860319 1032132230 /nfs/dbraw/zinc/13/22/30/1032132230.db2.gz LKQLXWGMGSREHF-MRXNPFEDSA-N 2 2 303.475 3.754 20 0 DHADLP CC[C@H](CSC)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361860319 1032132237 /nfs/dbraw/zinc/13/22/37/1032132237.db2.gz LKQLXWGMGSREHF-MRXNPFEDSA-N 2 2 303.475 3.754 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)c1cc(F)ccc1F ZINC000150976341 1016003688 /nfs/dbraw/zinc/00/36/88/1016003688.db2.gz HSYVMDBVRLPQKF-CJNGLKHVSA-N 2 2 305.372 3.525 20 0 DHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000349666070 1016198490 /nfs/dbraw/zinc/19/84/90/1016198490.db2.gz JXHLEIDCRKSOOP-UHFFFAOYSA-N 2 2 323.893 3.927 20 0 DHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000349666070 1016198498 /nfs/dbraw/zinc/19/84/98/1016198498.db2.gz JXHLEIDCRKSOOP-UHFFFAOYSA-N 2 2 323.893 3.927 20 0 DHADLP c1c[nH+]c(C2CCN(c3[nH+]ccc4c5c([nH]c43)CCCC5)CC2)[nH]1 ZINC000892151098 1016300495 /nfs/dbraw/zinc/30/04/95/1016300495.db2.gz LSFUDNGIOBEMSF-UHFFFAOYSA-N 2 2 321.428 3.549 20 0 DHADLP CC(C)(C)OC1CC([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000450718322 1016306586 /nfs/dbraw/zinc/30/65/86/1016306586.db2.gz SSHKILVUSAPBGI-UHFFFAOYSA-N 2 2 319.493 3.721 20 0 DHADLP CCCC[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443994456 1016569338 /nfs/dbraw/zinc/56/93/38/1016569338.db2.gz SMOWBDGVCAEHRQ-UHFFFAOYSA-N 2 2 321.412 3.516 20 0 DHADLP CO[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3C)c2)[C@@H](C[NH3+])C1 ZINC000346826732 1016589208 /nfs/dbraw/zinc/58/92/08/1016589208.db2.gz MLYSJQABSAKYMB-UXHICEINSA-N 2 2 324.468 3.600 20 0 DHADLP CO[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3C)c2)[C@@H](C[NH3+])C1 ZINC000346826732 1016589222 /nfs/dbraw/zinc/58/92/22/1016589222.db2.gz MLYSJQABSAKYMB-UXHICEINSA-N 2 2 324.468 3.600 20 0 DHADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C[C@H]12 ZINC000346839677 1016597064 /nfs/dbraw/zinc/59/70/64/1016597064.db2.gz ZGFPECJPIZZLHZ-UHIISALHSA-N 2 2 318.770 3.528 20 0 DHADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C[C@H]12 ZINC000346839677 1016597048 /nfs/dbraw/zinc/59/70/48/1016597048.db2.gz ZGFPECJPIZZLHZ-UHIISALHSA-N 2 2 318.770 3.528 20 0 DHADLP Fc1cc(CNc2cc[nH+]c3ccccc23)ccc1-n1cc[nH+]c1 ZINC000346963307 1016649018 /nfs/dbraw/zinc/64/90/18/1016649018.db2.gz MCGGKNUZBMROKQ-UHFFFAOYSA-N 2 2 318.355 3.594 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000671295962 1016868331 /nfs/dbraw/zinc/86/83/31/1016868331.db2.gz SGJJWAIVGVJFPZ-DAXOMENPSA-N 2 2 314.395 3.881 20 0 DHADLP COc1cc(C[NH2+]CCCCNc2cccc[nH+]2)ccc1Cl ZINC000623398345 1017020912 /nfs/dbraw/zinc/02/09/12/1017020912.db2.gz CFOPERIBUZFNAT-UHFFFAOYSA-N 2 2 319.836 3.726 20 0 DHADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000152810153 1017025516 /nfs/dbraw/zinc/02/55/16/1017025516.db2.gz VPLHYSXBTYXYMY-KRWDZBQOSA-N 2 2 301.409 3.642 20 0 DHADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119207177 1032273807 /nfs/dbraw/zinc/27/38/07/1032273807.db2.gz SXOOYVWMTKHLAJ-RYRKJORJSA-N 2 2 304.478 3.745 20 0 DHADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119207177 1032273818 /nfs/dbraw/zinc/27/38/18/1032273818.db2.gz SXOOYVWMTKHLAJ-RYRKJORJSA-N 2 2 304.478 3.745 20 0 DHADLP c1ccc(-c2[nH]c3ccc(NC[C@H]4CCCC[NH2+]4)cc3[nH+]2)cc1 ZINC001171333052 1032414075 /nfs/dbraw/zinc/41/40/75/1032414075.db2.gz AGJWNTMTAWUPEZ-MRXNPFEDSA-N 2 2 306.413 3.784 20 0 DHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093405341 1032536494 /nfs/dbraw/zinc/53/64/94/1032536494.db2.gz VYNGMJGPVHGHOC-GJZGRUSLSA-N 2 2 321.534 3.793 20 0 DHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093405341 1032536499 /nfs/dbraw/zinc/53/64/99/1032536499.db2.gz VYNGMJGPVHGHOC-GJZGRUSLSA-N 2 2 321.534 3.793 20 0 DHADLP c1c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)[nH]nc1-c1ccccc1 ZINC000093564214 1032544901 /nfs/dbraw/zinc/54/49/01/1032544901.db2.gz QYVKWWCOJUSSNA-LJQANCHMSA-N 2 2 324.472 3.527 20 0 DHADLP c1c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)[nH]nc1-c1ccccc1 ZINC000093564214 1032544909 /nfs/dbraw/zinc/54/49/09/1032544909.db2.gz QYVKWWCOJUSSNA-LJQANCHMSA-N 2 2 324.472 3.527 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCC3)s2)[C@H](C)C1 ZINC000093638849 1032550285 /nfs/dbraw/zinc/55/02/85/1032550285.db2.gz UFVBMLVAIPSCAW-RHSMWYFYSA-N 2 2 321.534 3.963 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCC3)s2)[C@H](C)C1 ZINC000093638849 1032550292 /nfs/dbraw/zinc/55/02/92/1032550292.db2.gz UFVBMLVAIPSCAW-RHSMWYFYSA-N 2 2 321.534 3.963 20 0 DHADLP c1nc(C2CCCC2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597258 1032548353 /nfs/dbraw/zinc/54/83/53/1032548353.db2.gz OSODWGXJZDGWGK-HNNXBMFYSA-N 2 2 319.518 3.718 20 0 DHADLP c1nc(C2CCCC2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597258 1032548357 /nfs/dbraw/zinc/54/83/57/1032548357.db2.gz OSODWGXJZDGWGK-HNNXBMFYSA-N 2 2 319.518 3.718 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CCCC3)s2)[C@H](C)C1 ZINC000093638849 1032550295 /nfs/dbraw/zinc/55/02/95/1032550295.db2.gz UFVBMLVAIPSCAW-RHSMWYFYSA-N 2 2 321.534 3.963 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCCC3)s2)[C@H](C)C1 ZINC000093638849 1032550299 /nfs/dbraw/zinc/55/02/99/1032550299.db2.gz UFVBMLVAIPSCAW-RHSMWYFYSA-N 2 2 321.534 3.963 20 0 DHADLP Cc1ncc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000773084405 1032552271 /nfs/dbraw/zinc/55/22/71/1032552271.db2.gz ZBMYRXGQUBDDEK-CYBMUJFWSA-N 2 2 312.442 3.531 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000424271592 1011967596 /nfs/dbraw/zinc/96/75/96/1011967596.db2.gz SFTLXNRXJNQUDZ-CYBMUJFWSA-N 2 2 322.880 3.874 20 0 DHADLP COc1cccc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)oc21 ZINC000092072005 1011987949 /nfs/dbraw/zinc/98/79/49/1011987949.db2.gz FVYNCGHSZFDHGU-CQSZACIVSA-N 2 2 311.385 3.544 20 0 DHADLP COc1cccc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)oc21 ZINC000092072005 1011987959 /nfs/dbraw/zinc/98/79/59/1011987959.db2.gz FVYNCGHSZFDHGU-CQSZACIVSA-N 2 2 311.385 3.544 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000643543639 1012051518 /nfs/dbraw/zinc/05/15/18/1012051518.db2.gz RXLSDEGULBNRID-HFSMHLIXSA-N 2 2 323.484 3.960 20 0 DHADLP C1=C2CCC[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001167954424 1012178992 /nfs/dbraw/zinc/17/89/92/1012178992.db2.gz DJQZIBPQNFOONT-ORBUVVROSA-N 2 2 312.501 3.680 20 0 DHADLP C1=C2CCC[N@H+]([C@H]3C[C@H]4C[C@H]4C3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001167954424 1012179002 /nfs/dbraw/zinc/17/90/02/1012179002.db2.gz DJQZIBPQNFOONT-ORBUVVROSA-N 2 2 312.501 3.680 20 0 DHADLP C1=C2CCC[NH+]([C@H]3C[C@H]4C[C@H]4C3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001167954424 1012179011 /nfs/dbraw/zinc/17/90/11/1012179011.db2.gz DJQZIBPQNFOONT-ORBUVVROSA-N 2 2 312.501 3.680 20 0 DHADLP C1=C2CCC[NH+]([C@H]3C[C@H]4C[C@H]4C3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001167954424 1012179019 /nfs/dbraw/zinc/17/90/19/1012179019.db2.gz DJQZIBPQNFOONT-ORBUVVROSA-N 2 2 312.501 3.680 20 0 DHADLP Cc1nc(C(C)C)ccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000339005819 1032651171 /nfs/dbraw/zinc/65/11/71/1032651171.db2.gz BSSJOYCQZTYBLV-GOSISDBHSA-N 2 2 303.494 3.820 20 0 DHADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000339005819 1032651174 /nfs/dbraw/zinc/65/11/74/1032651174.db2.gz BSSJOYCQZTYBLV-GOSISDBHSA-N 2 2 303.494 3.820 20 0 DHADLP Cc1nc(C(C)C)ccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000339005819 1032651177 /nfs/dbraw/zinc/65/11/77/1032651177.db2.gz BSSJOYCQZTYBLV-GOSISDBHSA-N 2 2 303.494 3.820 20 0 DHADLP Cc1nc(C(C)C)ccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000339005819 1032651180 /nfs/dbraw/zinc/65/11/80/1032651180.db2.gz BSSJOYCQZTYBLV-GOSISDBHSA-N 2 2 303.494 3.820 20 0 DHADLP [NH3+][C@@H]1C[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)c2ccccc21 ZINC000261937105 1012747860 /nfs/dbraw/zinc/74/78/60/1012747860.db2.gz UCAUZQSHFDVTKX-QZTJIDSGSA-N 2 2 308.429 3.629 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000037140987 1012834519 /nfs/dbraw/zinc/83/45/19/1012834519.db2.gz MXDGPVMBJXUPBN-LBPRGKRZSA-N 2 2 323.278 3.727 20 0 DHADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cnn(C2CCCC2)c1 ZINC000516964539 1012881232 /nfs/dbraw/zinc/88/12/32/1012881232.db2.gz PFVPRENAZUCLNU-RDTXWAMCSA-N 2 2 304.482 3.556 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCS2 ZINC000037249393 1012921794 /nfs/dbraw/zinc/92/17/94/1012921794.db2.gz CRNVJVALMGVNGJ-AWEZNQCLSA-N 2 2 307.850 3.753 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000192874075 1017190784 /nfs/dbraw/zinc/19/07/84/1017190784.db2.gz JTVIVTKUMDLPBA-INIZCTEOSA-N 2 2 310.441 3.707 20 0 DHADLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1SC ZINC000623727600 1017224917 /nfs/dbraw/zinc/22/49/17/1017224917.db2.gz FPTRAZXQOOOPCP-MRXNPFEDSA-N 2 2 320.502 3.524 20 0 DHADLP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1SC ZINC000623727600 1017224929 /nfs/dbraw/zinc/22/49/29/1017224929.db2.gz FPTRAZXQOOOPCP-MRXNPFEDSA-N 2 2 320.502 3.524 20 0 DHADLP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000179673387 1017282559 /nfs/dbraw/zinc/28/25/59/1017282559.db2.gz IRFLFAPGLXVMDC-FQEVSTJZSA-N 2 2 323.415 3.986 20 0 DHADLP Fc1cccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000179675128 1017285721 /nfs/dbraw/zinc/28/57/21/1017285721.db2.gz HOWROPQWFQVLCH-SFHVURJKSA-N 2 2 301.409 3.933 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000282003736 1017288221 /nfs/dbraw/zinc/28/82/21/1017288221.db2.gz DCFUBTPDLPKESF-QOJCHSLYSA-N 2 2 313.489 3.775 20 0 DHADLP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000179808348 1017313441 /nfs/dbraw/zinc/31/34/41/1017313441.db2.gz UHUGWWJLQOZSIP-IBGZPJMESA-N 2 2 309.388 3.596 20 0 DHADLP C[C@@H]1C[C@H]1[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000180031021 1017352961 /nfs/dbraw/zinc/35/29/61/1017352961.db2.gz IKLZUVCUHZMMKB-KBRIMQKVSA-N 2 2 303.837 3.914 20 0 DHADLP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000623849675 1017527636 /nfs/dbraw/zinc/52/76/36/1017527636.db2.gz LVIPCACIDZQTQB-ZDUSSCGKSA-N 2 2 322.250 3.695 20 0 DHADLP C[C@H]([NH2+][C@H]1CCCc2scnc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000623957816 1017607133 /nfs/dbraw/zinc/60/71/33/1017607133.db2.gz WIHPMAGIRPADIX-DZKIICNBSA-N 2 2 319.518 3.763 20 0 DHADLP C[C@H]([NH2+][C@H]1CCCc2scnc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000623957816 1017607137 /nfs/dbraw/zinc/60/71/37/1017607137.db2.gz WIHPMAGIRPADIX-DZKIICNBSA-N 2 2 319.518 3.763 20 0 DHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171465444 1032712799 /nfs/dbraw/zinc/71/27/99/1032712799.db2.gz JTBPGPZWGAKEGA-CVEARBPZSA-N 2 2 322.443 3.532 20 0 DHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171465444 1032712812 /nfs/dbraw/zinc/71/28/12/1032712812.db2.gz JTBPGPZWGAKEGA-CVEARBPZSA-N 2 2 322.443 3.532 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000182052744 1017853746 /nfs/dbraw/zinc/85/37/46/1017853746.db2.gz XMVBMTVYCHIGEO-GOSISDBHSA-N 2 2 319.452 3.900 20 0 DHADLP CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)OC ZINC000362975559 1017996875 /nfs/dbraw/zinc/99/68/75/1017996875.db2.gz GAHIWXHRACYQMP-DAYGRLMNSA-N 2 2 301.434 3.584 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658093269 1018067833 /nfs/dbraw/zinc/06/78/33/1018067833.db2.gz UEMUIEADAOWOMN-BFYDXBDKSA-N 2 2 304.478 3.650 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658093269 1018067850 /nfs/dbraw/zinc/06/78/50/1018067850.db2.gz UEMUIEADAOWOMN-BFYDXBDKSA-N 2 2 304.478 3.650 20 0 DHADLP COc1ccnc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000925183876 1018165205 /nfs/dbraw/zinc/16/52/05/1018165205.db2.gz KTGFUHDXHBFRHB-CABCVRRESA-N 2 2 322.412 3.688 20 0 DHADLP COc1c(C)cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000796662630 1018169863 /nfs/dbraw/zinc/16/98/63/1018169863.db2.gz FRFVUZZOJLLEMZ-CYBMUJFWSA-N 2 2 307.825 3.594 20 0 DHADLP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155641178 1018321391 /nfs/dbraw/zinc/32/13/91/1018321391.db2.gz IOEKQFOUDMVDHU-SNVBAGLBSA-N 2 2 316.257 3.919 20 0 DHADLP COc1cc(C)ccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000151038351 1018535121 /nfs/dbraw/zinc/53/51/21/1018535121.db2.gz MYVMDJQSPLKLEX-UHFFFAOYSA-N 2 2 324.468 3.758 20 0 DHADLP CC[C@H](Cc1cccs1)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000675833413 1018605729 /nfs/dbraw/zinc/60/57/29/1018605729.db2.gz QBKUWSNUGUDDJG-OAHLLOKOSA-N 2 2 324.534 3.548 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000675923446 1018626218 /nfs/dbraw/zinc/62/62/18/1018626218.db2.gz SEWDKJXQUGYWBT-PMACEKPBSA-N 2 2 317.436 3.981 20 0 DHADLP CCC[N@H+](Cc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000168146262 1018704367 /nfs/dbraw/zinc/70/43/67/1018704367.db2.gz NTVVSIABCRAYIW-UHFFFAOYSA-N 2 2 301.261 3.957 20 0 DHADLP CCC[N@@H+](Cc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000168146262 1018704373 /nfs/dbraw/zinc/70/43/73/1018704373.db2.gz NTVVSIABCRAYIW-UHFFFAOYSA-N 2 2 301.261 3.957 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccnc(Cl)c1 ZINC000765247600 1018728430 /nfs/dbraw/zinc/72/84/30/1018728430.db2.gz BAFFCOADEBANQQ-TZMCWYRMSA-N 2 2 306.841 3.697 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000765255082 1018736633 /nfs/dbraw/zinc/73/66/33/1018736633.db2.gz PDJKSEFAAHSQLQ-ZACQAIPSSA-N 2 2 304.478 3.651 20 0 DHADLP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1)C2 ZINC001171561400 1032784390 /nfs/dbraw/zinc/78/43/90/1032784390.db2.gz YVZZGNBXYZFKRL-MSOLQXFVSA-N 2 2 300.490 3.562 20 0 DHADLP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1)C2 ZINC001171561400 1032784409 /nfs/dbraw/zinc/78/44/09/1032784409.db2.gz YVZZGNBXYZFKRL-MSOLQXFVSA-N 2 2 300.490 3.562 20 0 DHADLP C(=C/c1ccccc1)\C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000338715028 1018788035 /nfs/dbraw/zinc/78/80/35/1018788035.db2.gz XICALOZQJXATJN-RMKNXTFCSA-N 2 2 303.409 3.734 20 0 DHADLP C[C@H](COc1ccccc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000765439644 1018789598 /nfs/dbraw/zinc/78/95/98/1018789598.db2.gz PRAKTXBFSDCFNK-SJORKVTESA-N 2 2 321.424 3.990 20 0 DHADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)c[nH+]1 ZINC000151317752 1018813250 /nfs/dbraw/zinc/81/32/50/1018813250.db2.gz RFFSJERZKASHLV-FQEVSTJZSA-N 2 2 303.409 3.709 20 0 DHADLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000921518791 1018815989 /nfs/dbraw/zinc/81/59/89/1018815989.db2.gz XVLKFLLPZULUAZ-UHFFFAOYSA-N 2 2 321.424 3.538 20 0 DHADLP Clc1ccccc1[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000657818196 1018859865 /nfs/dbraw/zinc/85/98/65/1018859865.db2.gz ACKQGDJSFBFOJG-NVXWUHKLSA-N 2 2 303.837 3.853 20 0 DHADLP Clc1cccc2c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000672166923 1018980256 /nfs/dbraw/zinc/98/02/56/1018980256.db2.gz OPSSZRLIJZTSEL-QWHCGFSZSA-N 2 2 301.821 3.927 20 0 DHADLP Clc1cccc2c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000672166923 1018980265 /nfs/dbraw/zinc/98/02/65/1018980265.db2.gz OPSSZRLIJZTSEL-QWHCGFSZSA-N 2 2 301.821 3.927 20 0 DHADLP CC(C)Cc1ccccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000858204144 1032803994 /nfs/dbraw/zinc/80/39/94/1032803994.db2.gz HQJARIGSOAQCCM-UHFFFAOYSA-N 2 2 317.502 3.693 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccncc2s1 ZINC000657838049 1019087389 /nfs/dbraw/zinc/08/73/89/1019087389.db2.gz NEOCFWPWGLYWRU-QEJZJMRPSA-N 2 2 301.459 3.574 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2ccncc2s1 ZINC000657838049 1019087398 /nfs/dbraw/zinc/08/73/98/1019087398.db2.gz NEOCFWPWGLYWRU-QEJZJMRPSA-N 2 2 301.459 3.574 20 0 DHADLP c1ccc2c(c1)cncc2C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000858221974 1032806651 /nfs/dbraw/zinc/80/66/51/1032806651.db2.gz QOTMNYDXUGJLJF-IBGZPJMESA-N 2 2 309.457 3.731 20 0 DHADLP c1ccc2c(c1)cncc2C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000858221974 1032806671 /nfs/dbraw/zinc/80/66/71/1032806671.db2.gz QOTMNYDXUGJLJF-IBGZPJMESA-N 2 2 309.457 3.731 20 0 DHADLP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000921589746 1019101495 /nfs/dbraw/zinc/10/14/95/1019101495.db2.gz PNKYEFMNXLCCFC-HZPDHXFCSA-N 2 2 301.459 3.636 20 0 DHADLP CS[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000921589744 1019102794 /nfs/dbraw/zinc/10/27/94/1019102794.db2.gz PNKYEFMNXLCCFC-HOTGVXAUSA-N 2 2 301.459 3.636 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996739 1032811657 /nfs/dbraw/zinc/81/16/57/1032811657.db2.gz CQCCBUQDGCOEKD-GFCCVEGCSA-N 2 2 304.821 3.851 20 0 DHADLP c1cc(-c2nc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cs2)cs1 ZINC000666998470 1032814325 /nfs/dbraw/zinc/81/43/25/1032814325.db2.gz VRPBQVGAZVKCGX-ZDUSSCGKSA-N 2 2 319.499 3.636 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000091334413 1019459620 /nfs/dbraw/zinc/45/96/20/1019459620.db2.gz XXQZDMIIIMPRJR-FXAWDEMLSA-N 2 2 314.473 3.753 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000091334413 1019459627 /nfs/dbraw/zinc/45/96/27/1019459627.db2.gz XXQZDMIIIMPRJR-FXAWDEMLSA-N 2 2 314.473 3.753 20 0 DHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@H](c3ccccc3)C2)CC1(C)C ZINC001171636950 1032836618 /nfs/dbraw/zinc/83/66/18/1032836618.db2.gz KUAFHVFFQZQSEX-SFHVURJKSA-N 2 2 316.489 3.711 20 0 DHADLP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@H](c3ccccc3)C2)CC1(C)C ZINC001171636950 1032836632 /nfs/dbraw/zinc/83/66/32/1032836632.db2.gz KUAFHVFFQZQSEX-SFHVURJKSA-N 2 2 316.489 3.711 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(-c3ccccc3)c1)CC2 ZINC000494432453 1019562054 /nfs/dbraw/zinc/56/20/54/1019562054.db2.gz TZKKRTMIIMVIDQ-IBGZPJMESA-N 2 2 303.409 3.655 20 0 DHADLP Fc1ccc2oc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000093865726 1019590131 /nfs/dbraw/zinc/59/01/31/1019590131.db2.gz LHDOCXOBNLZIBU-MRXNPFEDSA-N 2 2 312.344 3.620 20 0 DHADLP Fc1ccc2oc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000093865726 1019590138 /nfs/dbraw/zinc/59/01/38/1019590138.db2.gz LHDOCXOBNLZIBU-MRXNPFEDSA-N 2 2 312.344 3.620 20 0 DHADLP Cc1[nH]c(C[N@@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)c(C)[nH+]1 ZINC001171718202 1032841857 /nfs/dbraw/zinc/84/18/57/1032841857.db2.gz CIUQGZSUVOLHHU-NSHDSACASA-N 2 2 303.837 3.842 20 0 DHADLP Cc1[nH]c(C[N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)c(C)[nH+]1 ZINC001171718202 1032841872 /nfs/dbraw/zinc/84/18/72/1032841872.db2.gz CIUQGZSUVOLHHU-NSHDSACASA-N 2 2 303.837 3.842 20 0 DHADLP Clc1ccccc1C1=CC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000367570830 1019776629 /nfs/dbraw/zinc/77/66/29/1019776629.db2.gz SLDQFXSHADCQRW-UHFFFAOYSA-N 2 2 301.821 3.716 20 0 DHADLP Clc1ccccc1C1=CC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000367570830 1019776641 /nfs/dbraw/zinc/77/66/41/1019776641.db2.gz SLDQFXSHADCQRW-UHFFFAOYSA-N 2 2 301.821 3.716 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470352 1019854086 /nfs/dbraw/zinc/85/40/86/1019854086.db2.gz HPOSNENCQVEFIY-CXAGYDPISA-N 2 2 317.864 3.660 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470352 1019854106 /nfs/dbraw/zinc/85/41/06/1019854106.db2.gz HPOSNENCQVEFIY-CXAGYDPISA-N 2 2 317.864 3.660 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470352 1019854125 /nfs/dbraw/zinc/85/41/25/1019854125.db2.gz HPOSNENCQVEFIY-CXAGYDPISA-N 2 2 317.864 3.660 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470352 1019854146 /nfs/dbraw/zinc/85/41/46/1019854146.db2.gz HPOSNENCQVEFIY-CXAGYDPISA-N 2 2 317.864 3.660 20 0 DHADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc(C(F)(F)F)c1 ZINC001143458459 1019912923 /nfs/dbraw/zinc/91/29/23/1019912923.db2.gz NTIZQMBYHFYOND-INIZCTEOSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc(C(F)(F)F)c1 ZINC001143458459 1019912941 /nfs/dbraw/zinc/91/29/41/1019912941.db2.gz NTIZQMBYHFYOND-INIZCTEOSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(C(F)(F)F)c1 ZINC001143458459 1019912952 /nfs/dbraw/zinc/91/29/52/1019912952.db2.gz NTIZQMBYHFYOND-INIZCTEOSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(C(F)(F)F)c1 ZINC001143458459 1019912960 /nfs/dbraw/zinc/91/29/60/1019912960.db2.gz NTIZQMBYHFYOND-INIZCTEOSA-N 2 2 312.379 3.541 20 0 DHADLP CSc1ccc([C@@H](CNc2cc(C)cc[nH+]2)[NH+](C)C)cc1 ZINC000338838510 1019948872 /nfs/dbraw/zinc/94/88/72/1019948872.db2.gz VMTVCKMGYRPDQB-MRXNPFEDSA-N 2 2 301.459 3.827 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000685662123 1020019879 /nfs/dbraw/zinc/01/98/79/1020019879.db2.gz GEDUALBUAJOFKF-RNCFNFMXSA-N 2 2 322.239 3.851 20 0 DHADLP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072965561 1020094516 /nfs/dbraw/zinc/09/45/16/1020094516.db2.gz SFSUPAIQMGFNBA-SQNIBIBYSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072965561 1020094528 /nfs/dbraw/zinc/09/45/28/1020094528.db2.gz SFSUPAIQMGFNBA-SQNIBIBYSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1cccnc1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072965561 1020094540 /nfs/dbraw/zinc/09/45/40/1020094540.db2.gz SFSUPAIQMGFNBA-SQNIBIBYSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1cccnc1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072965561 1020094549 /nfs/dbraw/zinc/09/45/49/1020094549.db2.gz SFSUPAIQMGFNBA-SQNIBIBYSA-N 2 2 301.478 3.729 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658095281 1020141389 /nfs/dbraw/zinc/14/13/89/1020141389.db2.gz FZPMAYGGNDFRMM-IAAVTCLWSA-N 2 2 316.489 3.650 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658095281 1020141396 /nfs/dbraw/zinc/14/13/96/1020141396.db2.gz FZPMAYGGNDFRMM-IAAVTCLWSA-N 2 2 316.489 3.650 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)c1cccnc1 ZINC000922627769 1020176367 /nfs/dbraw/zinc/17/63/67/1020176367.db2.gz MTVIKHIRHQRWBI-SIEMBAAWSA-N 2 2 313.420 3.517 20 0 DHADLP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000922668257 1020201161 /nfs/dbraw/zinc/20/11/61/1020201161.db2.gz ALEBWBYAZOHOQD-LBPRGKRZSA-N 2 2 307.438 3.503 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000087759222 1020201457 /nfs/dbraw/zinc/20/14/57/1020201457.db2.gz IRCCNWYGKFZGAT-LBPRGKRZSA-N 2 2 301.261 3.813 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000087759222 1020201460 /nfs/dbraw/zinc/20/14/60/1020201460.db2.gz IRCCNWYGKFZGAT-LBPRGKRZSA-N 2 2 301.261 3.813 20 0 DHADLP C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658225963 1020236152 /nfs/dbraw/zinc/23/61/52/1020236152.db2.gz XDERWWKWNHJVOU-CZUORRHYSA-N 2 2 305.372 3.958 20 0 DHADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000922740137 1020241042 /nfs/dbraw/zinc/24/10/42/1020241042.db2.gz CONDNDGWFRAIMZ-QUCCMNQESA-N 2 2 323.484 3.841 20 0 DHADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000922740137 1020241048 /nfs/dbraw/zinc/24/10/48/1020241048.db2.gz CONDNDGWFRAIMZ-QUCCMNQESA-N 2 2 323.484 3.841 20 0 DHADLP c1ccc([C@H]2CC[C@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000658264114 1020263700 /nfs/dbraw/zinc/26/37/00/1020263700.db2.gz GFFWGUGVHNIDGR-RTBURBONSA-N 2 2 307.441 3.586 20 0 DHADLP CCc1ccc([C@H](CC)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658294630 1020286147 /nfs/dbraw/zinc/28/61/47/1020286147.db2.gz OMZURQGIHWZBHL-UXHICEINSA-N 2 2 316.489 3.543 20 0 DHADLP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000658292458 1020287181 /nfs/dbraw/zinc/28/71/81/1020287181.db2.gz YAOSOUDALXCRGF-PKOBYXMFSA-N 2 2 316.489 3.516 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCC3(C)C)CC2)cc1 ZINC000766190564 1020301609 /nfs/dbraw/zinc/30/16/09/1020301609.db2.gz IRUVJDRDROFZOA-IBGZPJMESA-N 2 2 315.505 3.890 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCCC1 ZINC000766003905 1020337136 /nfs/dbraw/zinc/33/71/36/1020337136.db2.gz QEIUOGCQONBDCK-INIZCTEOSA-N 2 2 315.505 3.890 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171809702 1032895070 /nfs/dbraw/zinc/89/50/70/1032895070.db2.gz LOKHIGOPMNXGHZ-GOSISDBHSA-N 2 2 321.399 3.611 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171809702 1032895083 /nfs/dbraw/zinc/89/50/83/1032895083.db2.gz LOKHIGOPMNXGHZ-GOSISDBHSA-N 2 2 321.399 3.611 20 0 DHADLP CC(C)c1cnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000733308045 1020361905 /nfs/dbraw/zinc/36/19/05/1020361905.db2.gz SXRDBRSCAQKFAC-UHFFFAOYSA-N 2 2 319.493 3.886 20 0 DHADLP Cc1ccc([C@@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)s1 ZINC000347780022 1020402798 /nfs/dbraw/zinc/40/27/98/1020402798.db2.gz KUAOPPIVRMGUBD-AWEZNQCLSA-N 2 2 321.515 3.912 20 0 DHADLP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)s1 ZINC000347780022 1020402805 /nfs/dbraw/zinc/40/28/05/1020402805.db2.gz KUAOPPIVRMGUBD-AWEZNQCLSA-N 2 2 321.515 3.912 20 0 DHADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171812608 1032901085 /nfs/dbraw/zinc/90/10/85/1032901085.db2.gz SYWZNBKSGBXRLH-GOSISDBHSA-N 2 2 316.464 3.632 20 0 DHADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171812608 1032901093 /nfs/dbraw/zinc/90/10/93/1032901093.db2.gz SYWZNBKSGBXRLH-GOSISDBHSA-N 2 2 316.464 3.632 20 0 DHADLP Clc1ccc2c(n1)CC[C@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000858464873 1032907649 /nfs/dbraw/zinc/90/76/49/1032907649.db2.gz SDSCFBKCGKWDSM-GDBMZVCRSA-N 2 2 319.880 3.719 20 0 DHADLP Clc1ccc2c(n1)CC[C@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000858464873 1032907664 /nfs/dbraw/zinc/90/76/64/1032907664.db2.gz SDSCFBKCGKWDSM-GDBMZVCRSA-N 2 2 319.880 3.719 20 0 DHADLP CC[C@@H](Cc1ccccc1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716276274 1020843047 /nfs/dbraw/zinc/84/30/47/1020843047.db2.gz BSIOPYPJRJJIQT-NRFANRHFSA-N 2 2 308.469 3.729 20 0 DHADLP CC1(C)C[C@H]([NH2+]Cc2cncs2)CC[N@@H+]1Cc1ccccc1 ZINC001171965781 1032937625 /nfs/dbraw/zinc/93/76/25/1032937625.db2.gz RJSVKWJTKPCWTM-MRXNPFEDSA-N 2 2 315.486 3.676 20 0 DHADLP CC1(C)C[C@H]([NH2+]Cc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC001171965781 1032937638 /nfs/dbraw/zinc/93/76/38/1032937638.db2.gz RJSVKWJTKPCWTM-MRXNPFEDSA-N 2 2 315.486 3.676 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001171966355 1032938097 /nfs/dbraw/zinc/93/80/97/1032938097.db2.gz UXAGVRAGLAGECP-XJKSGUPXSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001171966355 1032938107 /nfs/dbraw/zinc/93/81/07/1032938107.db2.gz UXAGVRAGLAGECP-XJKSGUPXSA-N 2 2 314.395 3.710 20 0 DHADLP Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCc4[nH+]c[nH]c4C3)C2)c1 ZINC000414123830 1020915896 /nfs/dbraw/zinc/91/58/96/1020915896.db2.gz BXRBLTGEMSRYNS-BMFZPTHFSA-N 2 2 315.848 3.846 20 0 DHADLP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@H]3CCc4[nH+]c[nH]c4C3)C2)c1 ZINC000414123840 1020916255 /nfs/dbraw/zinc/91/62/55/1020916255.db2.gz BXRBLTGEMSRYNS-KBMXLJTQSA-N 2 2 315.848 3.846 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924574387 1020921932 /nfs/dbraw/zinc/92/19/32/1020921932.db2.gz VUODQIIOWNNHHQ-XJKSGUPXSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924574387 1020921939 /nfs/dbraw/zinc/92/19/39/1020921939.db2.gz VUODQIIOWNNHHQ-XJKSGUPXSA-N 2 2 307.869 3.576 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)C[C@@H]1C ZINC000740881599 1020959967 /nfs/dbraw/zinc/95/99/67/1020959967.db2.gz CBNCIMHXPBZOAB-WCQYABFASA-N 2 2 316.276 3.693 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)C[C@@H]1C ZINC000740881599 1020959987 /nfs/dbraw/zinc/95/99/87/1020959987.db2.gz CBNCIMHXPBZOAB-WCQYABFASA-N 2 2 316.276 3.693 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)nc(Cl)c2)C[C@@H]1C ZINC000740881599 1020959993 /nfs/dbraw/zinc/95/99/93/1020959993.db2.gz CBNCIMHXPBZOAB-WCQYABFASA-N 2 2 316.276 3.693 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)nc(Cl)c2)C[C@@H]1C ZINC000740881599 1020959998 /nfs/dbraw/zinc/95/99/98/1020959998.db2.gz CBNCIMHXPBZOAB-WCQYABFASA-N 2 2 316.276 3.693 20 0 DHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CCCO2 ZINC000766266791 1020993716 /nfs/dbraw/zinc/99/37/16/1020993716.db2.gz BQZHYBBXZODTKO-AEFFLSMTSA-N 2 2 302.462 3.591 20 0 DHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CCCO2 ZINC000766266791 1020993721 /nfs/dbraw/zinc/99/37/21/1020993721.db2.gz BQZHYBBXZODTKO-AEFFLSMTSA-N 2 2 302.462 3.591 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766275711 1021040651 /nfs/dbraw/zinc/04/06/51/1021040651.db2.gz YOWNHAZNVFPLPL-ZNMIVQPWSA-N 2 2 317.502 3.862 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766275711 1021040658 /nfs/dbraw/zinc/04/06/58/1021040658.db2.gz YOWNHAZNVFPLPL-ZNMIVQPWSA-N 2 2 317.502 3.862 20 0 DHADLP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ncccc1Cl ZINC000924648664 1032955532 /nfs/dbraw/zinc/95/55/32/1032955532.db2.gz NJMVQZFPRIIALT-CJNGLKHVSA-N 2 2 307.869 3.650 20 0 DHADLP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ncccc1Cl ZINC000924648664 1032955544 /nfs/dbraw/zinc/95/55/44/1032955544.db2.gz NJMVQZFPRIIALT-CJNGLKHVSA-N 2 2 307.869 3.650 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccns1 ZINC000858579667 1032956132 /nfs/dbraw/zinc/95/61/32/1032956132.db2.gz WUCMAPOISZEBSW-CQSZACIVSA-N 2 2 307.507 3.838 20 0 DHADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000647541536 1021142204 /nfs/dbraw/zinc/14/22/04/1021142204.db2.gz YOKQTVRYOHOJPQ-GOSISDBHSA-N 2 2 319.518 3.766 20 0 DHADLP c1nc(C2CCCCC2)sc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000647541536 1021142206 /nfs/dbraw/zinc/14/22/06/1021142206.db2.gz YOKQTVRYOHOJPQ-GOSISDBHSA-N 2 2 319.518 3.766 20 0 DHADLP c1cncc(-c2cccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)c2)c1 ZINC000647553782 1021162167 /nfs/dbraw/zinc/16/21/67/1021162167.db2.gz JIJWNAOWJPWTPW-LJQANCHMSA-N 2 2 307.441 3.513 20 0 DHADLP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)O1 ZINC001171975745 1032959425 /nfs/dbraw/zinc/95/94/25/1032959425.db2.gz FDWFCWZBFOIQNH-ZIFCJYIRSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)O1 ZINC001171975745 1032959433 /nfs/dbraw/zinc/95/94/33/1032959433.db2.gz FDWFCWZBFOIQNH-ZIFCJYIRSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)O1 ZINC001171975745 1032959438 /nfs/dbraw/zinc/95/94/38/1032959438.db2.gz FDWFCWZBFOIQNH-ZIFCJYIRSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)O1 ZINC001171975745 1032959441 /nfs/dbraw/zinc/95/94/41/1032959441.db2.gz FDWFCWZBFOIQNH-ZIFCJYIRSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H](C)O1 ZINC001171975738 1032959461 /nfs/dbraw/zinc/95/94/61/1032959461.db2.gz FDWFCWZBFOIQNH-LMMKCTJWSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H](C)O1 ZINC001171975738 1032959470 /nfs/dbraw/zinc/95/94/70/1032959470.db2.gz FDWFCWZBFOIQNH-LMMKCTJWSA-N 2 2 316.489 3.539 20 0 DHADLP CC(=O)CC(C)(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976062 1032959543 /nfs/dbraw/zinc/95/95/43/1032959543.db2.gz PAMQIAVYYLXFRF-GOSISDBHSA-N 2 2 316.489 3.777 20 0 DHADLP CC(=O)CC(C)(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976062 1032959550 /nfs/dbraw/zinc/95/95/50/1032959550.db2.gz PAMQIAVYYLXFRF-GOSISDBHSA-N 2 2 316.489 3.777 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301890491 1021237881 /nfs/dbraw/zinc/23/78/81/1021237881.db2.gz QYHAFENUSWVFPE-DOTOQJQBSA-N 2 2 320.440 3.885 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301890491 1021237893 /nfs/dbraw/zinc/23/78/93/1021237893.db2.gz QYHAFENUSWVFPE-DOTOQJQBSA-N 2 2 320.440 3.885 20 0 DHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cnc2ccsc2c1 ZINC000068691847 1021362951 /nfs/dbraw/zinc/36/29/51/1021362951.db2.gz OAYJMDSBVHBONG-CYBMUJFWSA-N 2 2 300.431 3.624 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556061355 1021511082 /nfs/dbraw/zinc/51/10/82/1021511082.db2.gz WCTRHCAHWGMMHU-VQIMIIECSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556061355 1021511087 /nfs/dbraw/zinc/51/10/87/1021511087.db2.gz WCTRHCAHWGMMHU-VQIMIIECSA-N 2 2 316.395 3.890 20 0 DHADLP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000538099853 1032985775 /nfs/dbraw/zinc/98/57/75/1032985775.db2.gz DOOKIAAVPGNUMA-IEBWSBKVSA-N 2 2 302.437 3.883 20 0 DHADLP Fc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000538099853 1032985779 /nfs/dbraw/zinc/98/57/79/1032985779.db2.gz DOOKIAAVPGNUMA-IEBWSBKVSA-N 2 2 302.437 3.883 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C(F)F)nc1 ZINC000850424884 1021525043 /nfs/dbraw/zinc/52/50/43/1021525043.db2.gz IBMBFVYMEWJXQD-SWLSCSKDSA-N 2 2 322.403 3.981 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000093644128 1021638793 /nfs/dbraw/zinc/63/87/93/1021638793.db2.gz AFLQZWOYXKRMJX-XHDPSFHLSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000093644128 1021638795 /nfs/dbraw/zinc/63/87/95/1021638795.db2.gz AFLQZWOYXKRMJX-XHDPSFHLSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000093644128 1021638797 /nfs/dbraw/zinc/63/87/97/1021638797.db2.gz AFLQZWOYXKRMJX-XHDPSFHLSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000093644128 1021638800 /nfs/dbraw/zinc/63/88/00/1021638800.db2.gz AFLQZWOYXKRMJX-XHDPSFHLSA-N 2 2 301.261 3.908 20 0 DHADLP COc1ccccc1[C@H](C)[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129338 1033000827 /nfs/dbraw/zinc/00/08/27/1033000827.db2.gz YJWATSQUBVMMMF-MWDXBVQZSA-N 2 2 302.462 3.703 20 0 DHADLP COc1ccccc1[C@H](C)[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129338 1033000841 /nfs/dbraw/zinc/00/08/41/1033000841.db2.gz YJWATSQUBVMMMF-MWDXBVQZSA-N 2 2 302.462 3.703 20 0 DHADLP COc1ccccc1[C@H](C)[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129338 1033000853 /nfs/dbraw/zinc/00/08/53/1033000853.db2.gz YJWATSQUBVMMMF-MWDXBVQZSA-N 2 2 302.462 3.703 20 0 DHADLP COc1ccccc1[C@H](C)[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129338 1033000866 /nfs/dbraw/zinc/00/08/66/1033000866.db2.gz YJWATSQUBVMMMF-MWDXBVQZSA-N 2 2 302.462 3.703 20 0 DHADLP c1cc2c(cccc2C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[nH]1 ZINC000236766601 1021772289 /nfs/dbraw/zinc/77/22/89/1021772289.db2.gz AMKHMRRFGKJPIK-UHFFFAOYSA-N 2 2 302.381 3.643 20 0 DHADLP COc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1Cl ZINC000659944946 1022228268 /nfs/dbraw/zinc/22/82/68/1022228268.db2.gz QCIJCPQEYGGGSE-INIZCTEOSA-N 2 2 322.880 3.799 20 0 DHADLP COc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1Cl ZINC000659944946 1022228280 /nfs/dbraw/zinc/22/82/80/1022228280.db2.gz QCIJCPQEYGGGSE-INIZCTEOSA-N 2 2 322.880 3.799 20 0 DHADLP COc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1Cl ZINC000659944947 1022229204 /nfs/dbraw/zinc/22/92/04/1022229204.db2.gz QCIJCPQEYGGGSE-MRXNPFEDSA-N 2 2 322.880 3.799 20 0 DHADLP COc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1Cl ZINC000659944947 1022229216 /nfs/dbraw/zinc/22/92/16/1022229216.db2.gz QCIJCPQEYGGGSE-MRXNPFEDSA-N 2 2 322.880 3.799 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001169083368 1022252529 /nfs/dbraw/zinc/25/25/29/1022252529.db2.gz DJXQLJSBIXBCJN-XUVXKRRUSA-N 2 2 300.490 3.670 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001169083368 1022252537 /nfs/dbraw/zinc/25/25/37/1022252537.db2.gz DJXQLJSBIXBCJN-XUVXKRRUSA-N 2 2 300.490 3.670 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001169083368 1022252544 /nfs/dbraw/zinc/25/25/44/1022252544.db2.gz DJXQLJSBIXBCJN-XUVXKRRUSA-N 2 2 300.490 3.670 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001169083368 1022252549 /nfs/dbraw/zinc/25/25/49/1022252549.db2.gz DJXQLJSBIXBCJN-XUVXKRRUSA-N 2 2 300.490 3.670 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)Cc1ccncc1)C2 ZINC001169125817 1022261153 /nfs/dbraw/zinc/26/11/53/1022261153.db2.gz LYYQTOKIHGVAIR-AERCQKQUSA-N 2 2 321.468 3.709 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)Cc1ccncc1)C2 ZINC001169125817 1022261161 /nfs/dbraw/zinc/26/11/61/1022261161.db2.gz LYYQTOKIHGVAIR-AERCQKQUSA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)Cc1ccncc1)C2 ZINC001169125817 1022261166 /nfs/dbraw/zinc/26/11/66/1022261166.db2.gz LYYQTOKIHGVAIR-AERCQKQUSA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)Cc1ccncc1)C2 ZINC001169125817 1022261173 /nfs/dbraw/zinc/26/11/73/1022261173.db2.gz LYYQTOKIHGVAIR-AERCQKQUSA-N 2 2 321.468 3.709 20 0 DHADLP CC[C@H](C)[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000153908525 1022262329 /nfs/dbraw/zinc/26/23/29/1022262329.db2.gz WDNAHECWMMTSSA-BZSNNMDCSA-N 2 2 318.505 3.911 20 0 DHADLP CC1(C)C[C@H](Nc2[nH+]cccc2-n2cccc2)C[C@](C)(C[NH3+])C1 ZINC001169140932 1022272600 /nfs/dbraw/zinc/27/26/00/1022272600.db2.gz HYZKXQRHJTZEOG-KXBFYZLASA-N 2 2 312.461 3.828 20 0 DHADLP CC1(C)C[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)C[C@](C)(C[NH3+])C1 ZINC001169142919 1022273855 /nfs/dbraw/zinc/27/38/55/1022273855.db2.gz HZCCVBIVCWQGGZ-APWZRJJASA-N 2 2 316.493 3.637 20 0 DHADLP CC1(C)C[C@H](Nc2ccc(-n3cccc3)c[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169142703 1022274867 /nfs/dbraw/zinc/27/48/67/1022274867.db2.gz NUQLJKRNJZFNRJ-KXBFYZLASA-N 2 2 312.461 3.828 20 0 DHADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CSc2ccccc2C1 ZINC001172207436 1033043076 /nfs/dbraw/zinc/04/30/76/1033043076.db2.gz BSNRIFRFYGPVHL-QGZVFWFLSA-N 2 2 304.503 3.508 20 0 DHADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CSc2ccccc2C1 ZINC001172207436 1033043081 /nfs/dbraw/zinc/04/30/81/1033043081.db2.gz BSNRIFRFYGPVHL-QGZVFWFLSA-N 2 2 304.503 3.508 20 0 DHADLP CC[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973402 1022278058 /nfs/dbraw/zinc/27/80/58/1022278058.db2.gz PTGALFONMRJLNR-REPLKXPHSA-N 2 2 313.489 3.666 20 0 DHADLP CC[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973402 1022278071 /nfs/dbraw/zinc/27/80/71/1022278071.db2.gz PTGALFONMRJLNR-REPLKXPHSA-N 2 2 313.489 3.666 20 0 DHADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000363847885 1022335026 /nfs/dbraw/zinc/33/50/26/1022335026.db2.gz ALXDXGINTJUFKK-WIYYLYMNSA-N 2 2 323.484 3.862 20 0 DHADLP C[C@H]1C[C@H](Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc21 ZINC001169379915 1022377571 /nfs/dbraw/zinc/37/75/71/1022377571.db2.gz OPBSGLFONFFNPF-XPIZARPCSA-N 2 2 321.468 3.880 20 0 DHADLP C[C@H]1C[C@H](Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc21 ZINC001169379915 1022377585 /nfs/dbraw/zinc/37/75/85/1022377585.db2.gz OPBSGLFONFFNPF-XPIZARPCSA-N 2 2 321.468 3.880 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000155978444 1022429163 /nfs/dbraw/zinc/42/91/63/1022429163.db2.gz IILMNRNSFIEUBA-FXAWDEMLSA-N 2 2 309.457 3.787 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000155978444 1022429171 /nfs/dbraw/zinc/42/91/71/1022429171.db2.gz IILMNRNSFIEUBA-FXAWDEMLSA-N 2 2 309.457 3.787 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000155979732 1022431133 /nfs/dbraw/zinc/43/11/33/1022431133.db2.gz MDKACQDDOZLGHD-PXNSSMCTSA-N 2 2 309.457 3.787 20 0 DHADLP [NH3+]Cc1ccn(-c2ccc3[nH+]c(-c4ccc(Cl)cc4)cn3c2)c1 ZINC001169725910 1022508148 /nfs/dbraw/zinc/50/81/48/1022508148.db2.gz MLJYNNUWNOZKSR-UHFFFAOYSA-N 2 2 322.799 3.904 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1[C@@H]3CCCC[C@@H]3C1(C)C)CCC2 ZINC000363958382 1022516188 /nfs/dbraw/zinc/51/61/88/1022516188.db2.gz DDJJUWPCCTXRKO-VVLHAWIVSA-N 2 2 301.478 3.873 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1[C@@H]3CCCC[C@@H]3C1(C)C)CCC2 ZINC000363958371 1022517265 /nfs/dbraw/zinc/51/72/65/1022517265.db2.gz DDJJUWPCCTXRKO-NCOADZHNSA-N 2 2 301.478 3.873 20 0 DHADLP Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000337546628 1033063135 /nfs/dbraw/zinc/06/31/35/1033063135.db2.gz LVQLOAPQGFRRDV-KBPBESRZSA-N 2 2 310.401 3.889 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1c1cccs1)CCC2 ZINC000367438711 1022639831 /nfs/dbraw/zinc/63/98/31/1022639831.db2.gz OTJYFMQJECTDOJ-FPCVCCKLSA-N 2 2 315.486 3.912 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)CCC2 ZINC000417313111 1022678506 /nfs/dbraw/zinc/67/85/06/1022678506.db2.gz OTJYFMQJECTDOJ-YHUYYLMFSA-N 2 2 315.486 3.912 20 0 DHADLP Clc1cncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000621276547 1022682537 /nfs/dbraw/zinc/68/25/37/1022682537.db2.gz LBZOSCZUIGWZAC-UHFFFAOYSA-N 2 2 318.852 3.624 20 0 DHADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000159152714 1022696572 /nfs/dbraw/zinc/69/65/72/1022696572.db2.gz FBOOKCPCLBDTJN-MRXNPFEDSA-N 2 2 322.880 3.799 20 0 DHADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000159152714 1022696578 /nfs/dbraw/zinc/69/65/78/1022696578.db2.gz FBOOKCPCLBDTJN-MRXNPFEDSA-N 2 2 322.880 3.799 20 0 DHADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000621375779 1022728524 /nfs/dbraw/zinc/72/85/24/1022728524.db2.gz FGUIFEYYZNIXOI-CVEARBPZSA-N 2 2 308.416 3.674 20 0 DHADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000621375779 1022728540 /nfs/dbraw/zinc/72/85/40/1022728540.db2.gz FGUIFEYYZNIXOI-CVEARBPZSA-N 2 2 308.416 3.674 20 0 DHADLP Cc1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000742378476 1022826561 /nfs/dbraw/zinc/82/65/61/1022826561.db2.gz SMWDLSUTDFWBMT-UHFFFAOYSA-N 2 2 323.484 3.820 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc2c(c1)CCCO2 ZINC000768087300 1022876644 /nfs/dbraw/zinc/87/66/44/1022876644.db2.gz NJQDINKTQZYQRA-MSOLQXFVSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc2c(c1)CCCO2 ZINC000768087300 1022876663 /nfs/dbraw/zinc/87/66/63/1022876663.db2.gz NJQDINKTQZYQRA-MSOLQXFVSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000768102642 1022885621 /nfs/dbraw/zinc/88/56/21/1022885621.db2.gz ANSNCRSTKPRFME-OALUTQOASA-N 2 2 314.473 3.537 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000768102642 1022885635 /nfs/dbraw/zinc/88/56/35/1022885635.db2.gz ANSNCRSTKPRFME-OALUTQOASA-N 2 2 314.473 3.537 20 0 DHADLP CCCC[NH+]1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000164440559 1022950490 /nfs/dbraw/zinc/95/04/90/1022950490.db2.gz LLXIUBJUCMMYAQ-UHFFFAOYSA-N 3 2 321.553 3.638 20 0 DHADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000164871526 1022964683 /nfs/dbraw/zinc/96/46/83/1022964683.db2.gz PLJDXGSQYVNGBI-IBGZPJMESA-N 2 2 315.505 3.510 20 0 DHADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000164871526 1022964693 /nfs/dbraw/zinc/96/46/93/1022964693.db2.gz PLJDXGSQYVNGBI-IBGZPJMESA-N 2 2 315.505 3.510 20 0 DHADLP Cc1cc(NCCC[N@H+]2CCCC[C@@H]2C)cc(OC(F)F)[nH+]1 ZINC001167753677 1023041717 /nfs/dbraw/zinc/04/17/17/1023041717.db2.gz LODNFUSIAGXXMV-ZDUSSCGKSA-N 2 2 313.392 3.668 20 0 DHADLP Cc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)cc(OC(F)F)[nH+]1 ZINC001167753677 1023041730 /nfs/dbraw/zinc/04/17/30/1023041730.db2.gz LODNFUSIAGXXMV-ZDUSSCGKSA-N 2 2 313.392 3.668 20 0 DHADLP C[N@H+](CCCOc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337618207 1033100671 /nfs/dbraw/zinc/10/06/71/1033100671.db2.gz CQQJPLDJMPXRKB-UHFFFAOYSA-N 2 2 321.424 3.773 20 0 DHADLP C[N@@H+](CCCOc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337618207 1033100677 /nfs/dbraw/zinc/10/06/77/1033100677.db2.gz CQQJPLDJMPXRKB-UHFFFAOYSA-N 2 2 321.424 3.773 20 0 DHADLP CCCc1nc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000859212913 1033100982 /nfs/dbraw/zinc/10/09/82/1033100982.db2.gz CVUUYVCEAZINFS-UHFFFAOYSA-N 2 2 317.502 3.789 20 0 DHADLP CCCc1nc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000859212913 1033100986 /nfs/dbraw/zinc/10/09/86/1033100986.db2.gz CVUUYVCEAZINFS-UHFFFAOYSA-N 2 2 317.502 3.789 20 0 DHADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000538559160 1033101213 /nfs/dbraw/zinc/10/12/13/1033101213.db2.gz YGNZYZWFWFMTEY-OALUTQOASA-N 2 2 324.472 3.785 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000364360023 1023083531 /nfs/dbraw/zinc/08/35/31/1023083531.db2.gz UXLKNCRQXCWQNV-ZWKOTPCHSA-N 2 2 319.493 3.585 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000364360023 1023083535 /nfs/dbraw/zinc/08/35/35/1023083535.db2.gz UXLKNCRQXCWQNV-ZWKOTPCHSA-N 2 2 319.493 3.585 20 0 DHADLP Clc1nccc2oc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000876621371 1033109778 /nfs/dbraw/zinc/10/97/78/1033109778.db2.gz ZRJIMNMLEJLLCH-NSHDSACASA-N 2 2 316.792 3.584 20 0 DHADLP Clc1nccc2oc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000876621371 1033109785 /nfs/dbraw/zinc/10/97/85/1033109785.db2.gz ZRJIMNMLEJLLCH-NSHDSACASA-N 2 2 316.792 3.584 20 0 DHADLP C[N@H+](CCCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337630761 1033110073 /nfs/dbraw/zinc/11/00/73/1033110073.db2.gz OBHKDVUHVARJSX-UHFFFAOYSA-N 2 2 305.425 3.937 20 0 DHADLP C[N@@H+](CCCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337630761 1033110098 /nfs/dbraw/zinc/11/00/98/1033110098.db2.gz OBHKDVUHVARJSX-UHFFFAOYSA-N 2 2 305.425 3.937 20 0 DHADLP CCc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000769872274 1023236988 /nfs/dbraw/zinc/23/69/88/1023236988.db2.gz FKBQFZWFELFDHE-CQSZACIVSA-N 2 2 319.493 3.993 20 0 DHADLP COc1ccsc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000769964081 1023246940 /nfs/dbraw/zinc/24/69/40/1023246940.db2.gz WVPOPPLVOCKGRQ-GXTWGEPZSA-N 2 2 307.463 3.719 20 0 DHADLP CC[C@H](C)OCC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172330532 1033117350 /nfs/dbraw/zinc/11/73/50/1033117350.db2.gz LWEGWWQRPVOCSB-HOTGVXAUSA-N 2 2 306.450 3.519 20 0 DHADLP CC[C@@H](C)OCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172336675 1033120695 /nfs/dbraw/zinc/12/06/95/1033120695.db2.gz USOHTYQQYYXJCO-BRSBDYLESA-N 2 2 319.493 3.752 20 0 DHADLP Fc1ccccc1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678498 1023375762 /nfs/dbraw/zinc/37/57/62/1023375762.db2.gz VGKZIGMJLPRJAS-UHFFFAOYSA-N 2 2 312.432 3.622 20 0 DHADLP C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000093077741 1023421361 /nfs/dbraw/zinc/42/13/61/1023421361.db2.gz QNHLAPXCYVPJQD-ZDUSSCGKSA-N 2 2 324.453 3.668 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651676175 1023452132 /nfs/dbraw/zinc/45/21/32/1023452132.db2.gz RDIDXRCUANHKSW-CVEARBPZSA-N 2 2 306.413 3.684 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876770550 1033141328 /nfs/dbraw/zinc/14/13/28/1033141328.db2.gz HEUKMIBUQKGZJX-HNNXBMFYSA-N 2 2 315.436 3.538 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876770550 1033141333 /nfs/dbraw/zinc/14/13/33/1033141333.db2.gz HEUKMIBUQKGZJX-HNNXBMFYSA-N 2 2 315.436 3.538 20 0 DHADLP C[C@H](CSCCF)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000595009342 1023618290 /nfs/dbraw/zinc/61/82/90/1023618290.db2.gz REKCSDRIUJXEOJ-CABCVRRESA-N 2 2 312.498 3.797 20 0 DHADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000786795509 1023727142 /nfs/dbraw/zinc/72/71/42/1023727142.db2.gz FOQPWKXUXQIDNY-JQHSSLGASA-N 2 2 315.461 3.664 20 0 DHADLP CCOCC[C@@H](C)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001172432661 1033167103 /nfs/dbraw/zinc/16/71/03/1033167103.db2.gz XUGOFOLLQWTNJJ-MRXNPFEDSA-N 2 2 322.468 3.537 20 0 DHADLP CCOCC[C@@H](C)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001172432661 1033167109 /nfs/dbraw/zinc/16/71/09/1033167109.db2.gz XUGOFOLLQWTNJJ-MRXNPFEDSA-N 2 2 322.468 3.537 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000245713343 1023893305 /nfs/dbraw/zinc/89/33/05/1023893305.db2.gz NWASPCTUXJSGRC-NBMJBFSESA-N 2 2 304.478 3.615 20 0 DHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@@H](C)[C@@H](C)C2)[nH+]c1 ZINC001172384622 1033171009 /nfs/dbraw/zinc/17/10/09/1033171009.db2.gz VOFOKSJRDNAHTN-SOLBZPMBSA-N 2 2 301.478 3.773 20 0 DHADLP Clc1ccc2c(n1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000788586295 1023910172 /nfs/dbraw/zinc/91/01/72/1023910172.db2.gz AJWRRLYJIGXTBM-CQSZACIVSA-N 2 2 316.836 3.599 20 0 DHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000788593668 1023910415 /nfs/dbraw/zinc/91/04/15/1023910415.db2.gz HPOSAOCVTGONMM-PBHICJAKSA-N 2 2 322.880 3.621 20 0 DHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000788593668 1023910422 /nfs/dbraw/zinc/91/04/22/1023910422.db2.gz HPOSAOCVTGONMM-PBHICJAKSA-N 2 2 322.880 3.621 20 0 DHADLP Cc1ccoc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000266170623 1024038275 /nfs/dbraw/zinc/03/82/75/1024038275.db2.gz CAPCAICGPNSTKO-OAHLLOKOSA-N 2 2 304.459 3.651 20 0 DHADLP Cc1ccoc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000266170623 1024038283 /nfs/dbraw/zinc/03/82/83/1024038283.db2.gz CAPCAICGPNSTKO-OAHLLOKOSA-N 2 2 304.459 3.651 20 0 DHADLP CC[C@H](CC(C)C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001172396903 1033181471 /nfs/dbraw/zinc/18/14/71/1033181471.db2.gz HPNPLDSIZUXACD-IAGOWNOFSA-N 2 2 320.525 3.925 20 0 DHADLP CC[C@H](CC(C)C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001172396903 1033181479 /nfs/dbraw/zinc/18/14/79/1033181479.db2.gz HPNPLDSIZUXACD-IAGOWNOFSA-N 2 2 320.525 3.925 20 0 DHADLP CC[C@H](CC(C)C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001172396903 1033181488 /nfs/dbraw/zinc/18/14/88/1033181488.db2.gz HPNPLDSIZUXACD-IAGOWNOFSA-N 2 2 320.525 3.925 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000268774177 1024158093 /nfs/dbraw/zinc/15/80/93/1024158093.db2.gz QYQBIBJAFCZYMK-OAHLLOKOSA-N 2 2 309.413 3.938 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000268814015 1024169497 /nfs/dbraw/zinc/16/94/97/1024169497.db2.gz LUSHYVOXTOWFGR-OLZOCXBDSA-N 2 2 309.360 3.532 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(Cl)n1 ZINC000883293337 1024355281 /nfs/dbraw/zinc/35/52/81/1024355281.db2.gz PRDDQELVPHMEPR-UHFFFAOYSA-N 2 2 321.896 3.930 20 0 DHADLP CC(C)=CCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000790682701 1024365004 /nfs/dbraw/zinc/36/50/04/1024365004.db2.gz HNMCOYVCWATEQY-UHFFFAOYSA-N 2 2 301.478 3.667 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270551000 1024405045 /nfs/dbraw/zinc/40/50/45/1024405045.db2.gz ZUIQTALIKCPNMD-SNVBAGLBSA-N 2 2 313.232 3.513 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000883386655 1024420231 /nfs/dbraw/zinc/42/02/31/1024420231.db2.gz KQEXFCMACZCNOO-FXAWDEMLSA-N 2 2 320.440 3.987 20 0 DHADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388587 1024422673 /nfs/dbraw/zinc/42/26/73/1024422673.db2.gz YIRMGVLFIMMXPM-HIFRSBDPSA-N 2 2 311.351 3.945 20 0 DHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cccnc1 ZINC000270738066 1024423548 /nfs/dbraw/zinc/42/35/48/1024423548.db2.gz PRUMCMPCXZXHIX-QGZVFWFLSA-N 2 2 324.472 3.776 20 0 DHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cccnc1 ZINC000270738066 1024423552 /nfs/dbraw/zinc/42/35/52/1024423552.db2.gz PRUMCMPCXZXHIX-QGZVFWFLSA-N 2 2 324.472 3.776 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1F ZINC000925778706 1024433724 /nfs/dbraw/zinc/43/37/24/1024433724.db2.gz UXCVKRXWTYLWHN-GXFFZTMASA-N 2 2 320.786 3.765 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000453308260 1024454540 /nfs/dbraw/zinc/45/45/40/1024454540.db2.gz MUHRZZSSYBVKAE-QFBILLFUSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000453308260 1024454543 /nfs/dbraw/zinc/45/45/43/1024454543.db2.gz MUHRZZSSYBVKAE-QFBILLFUSA-N 2 2 315.505 3.708 20 0 DHADLP CC(C)[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc(C(F)(F)F)c1 ZINC000643506897 1024509567 /nfs/dbraw/zinc/50/95/67/1024509567.db2.gz LUVCQFOSAWWLAH-HNNXBMFYSA-N 2 2 300.368 3.744 20 0 DHADLP Clc1cccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001207590456 1024564074 /nfs/dbraw/zinc/56/40/74/1024564074.db2.gz LTTXDNALWJRTPN-UHFFFAOYSA-N 2 2 303.837 3.806 20 0 DHADLP C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001170161552 1024610533 /nfs/dbraw/zinc/61/05/33/1024610533.db2.gz OYVVXWJZGMBTDP-DNVCBOLYSA-N 2 2 304.453 3.911 20 0 DHADLP C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001170161552 1024610539 /nfs/dbraw/zinc/61/05/39/1024610539.db2.gz OYVVXWJZGMBTDP-DNVCBOLYSA-N 2 2 304.453 3.911 20 0 DHADLP c1ccc(SCC[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000117882525 1024617071 /nfs/dbraw/zinc/61/70/71/1024617071.db2.gz XRECOEYFSSKRSC-UHFFFAOYSA-N 2 2 304.503 3.775 20 0 DHADLP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccccn1)C[NH+]1CCCCC1 ZINC000194190270 1024620077 /nfs/dbraw/zinc/62/00/77/1024620077.db2.gz ASTCOAPQXLFLQU-GHTZIAJQSA-N 2 2 323.484 3.883 20 0 DHADLP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccccn1)C[NH+]1CCCCC1 ZINC000194190256 1024620302 /nfs/dbraw/zinc/62/03/02/1024620302.db2.gz ASTCOAPQXLFLQU-NQIIRXRSSA-N 2 2 323.484 3.883 20 0 DHADLP c1ccc(C2CC(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000283351336 1024642912 /nfs/dbraw/zinc/64/29/12/1024642912.db2.gz MKMFOKKNFVPILV-UHFFFAOYSA-N 2 2 321.468 3.834 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000349193631 1024687361 /nfs/dbraw/zinc/68/73/61/1024687361.db2.gz QHWLDSAJRVOJCK-HNNXBMFYSA-N 2 2 324.453 3.533 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000349193631 1024687367 /nfs/dbraw/zinc/68/73/67/1024687367.db2.gz QHWLDSAJRVOJCK-HNNXBMFYSA-N 2 2 324.453 3.533 20 0 DHADLP c1cn(CCCC2CC[NH+](CCCC3CCOCC3)CC2)c[nH+]1 ZINC000349383336 1024711529 /nfs/dbraw/zinc/71/15/29/1024711529.db2.gz MCARPEIXXXWUSA-UHFFFAOYSA-N 2 2 319.493 3.582 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001170254946 1024726203 /nfs/dbraw/zinc/72/62/03/1024726203.db2.gz LAXIAZWAWGTJIX-HZPDHXFCSA-N 2 2 308.897 3.981 20 0 DHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccsc2Cl)cc1F ZINC000359710138 1024918156 /nfs/dbraw/zinc/91/81/56/1024918156.db2.gz YYDDOFBXAZPOLX-UHFFFAOYSA-N 2 2 312.841 3.892 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000151337492 1025033146 /nfs/dbraw/zinc/03/31/46/1025033146.db2.gz XTJFSXQPRDEUEI-HXUWFJFHSA-N 2 2 321.399 3.848 20 0 DHADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172577036 1033251490 /nfs/dbraw/zinc/25/14/90/1033251490.db2.gz QRFSEFKXYLVTRP-WCQYABFASA-N 2 2 316.823 3.623 20 0 DHADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172577036 1033251503 /nfs/dbraw/zinc/25/15/03/1033251503.db2.gz QRFSEFKXYLVTRP-WCQYABFASA-N 2 2 316.823 3.623 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cn1 ZINC000353538351 1025116622 /nfs/dbraw/zinc/11/66/22/1025116622.db2.gz SYTKDZGUFPEPPH-LJQANCHMSA-N 2 2 324.403 3.893 20 0 DHADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000353977518 1025311602 /nfs/dbraw/zinc/31/16/02/1025311602.db2.gz ZVENUKPBIMPHGX-IAGOWNOFSA-N 2 2 320.477 3.619 20 0 DHADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000353977518 1025311607 /nfs/dbraw/zinc/31/16/07/1025311607.db2.gz ZVENUKPBIMPHGX-IAGOWNOFSA-N 2 2 320.477 3.619 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)s3)CC[C@@H]21 ZINC000432722057 1025340626 /nfs/dbraw/zinc/34/06/26/1025340626.db2.gz IAHIPQHTALQXMI-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)s3)CC[C@@H]21 ZINC000432722057 1025340641 /nfs/dbraw/zinc/34/06/41/1025340641.db2.gz IAHIPQHTALQXMI-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)s3)CC[C@@H]21 ZINC000432722057 1025340655 /nfs/dbraw/zinc/34/06/55/1025340655.db2.gz IAHIPQHTALQXMI-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)s3)CC[C@@H]21 ZINC000432722057 1025340670 /nfs/dbraw/zinc/34/06/70/1025340670.db2.gz IAHIPQHTALQXMI-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[C@@H]([NH2+]CCc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124765838 1025360063 /nfs/dbraw/zinc/36/00/63/1025360063.db2.gz WVIKYTAMXCXMDZ-OAHLLOKOSA-N 2 2 309.388 3.905 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000123668764 1025394075 /nfs/dbraw/zinc/39/40/75/1025394075.db2.gz LGEDIAHYQHMJSN-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000123668764 1025394092 /nfs/dbraw/zinc/39/40/92/1025394092.db2.gz LGEDIAHYQHMJSN-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP CC[N@H+](Cc1ncc(C(C)C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995534 1033280616 /nfs/dbraw/zinc/28/06/16/1033280616.db2.gz SGGBFHMYOFRNMQ-UHFFFAOYSA-N 2 2 315.461 3.882 20 0 DHADLP CC[N@@H+](Cc1ncc(C(C)C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995534 1033280624 /nfs/dbraw/zinc/28/06/24/1033280624.db2.gz SGGBFHMYOFRNMQ-UHFFFAOYSA-N 2 2 315.461 3.882 20 0 DHADLP c1ccc(NCCCC[NH2+][C@H]2CCOC3(CCCCC3)C2)[nH+]c1 ZINC000885967064 1025422653 /nfs/dbraw/zinc/42/26/53/1025422653.db2.gz GVCFSNSQAFJCEH-KRWDZBQOSA-N 2 2 317.477 3.745 20 0 DHADLP FC(F)Oc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000051554528 1025456020 /nfs/dbraw/zinc/45/60/20/1025456020.db2.gz CZTYJLHEFWKKEI-UHFFFAOYSA-N 2 2 324.415 3.738 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000125240456 1025462120 /nfs/dbraw/zinc/46/21/20/1025462120.db2.gz WJIOBERWZSGQGS-UHFFFAOYSA-N 2 2 321.515 3.788 20 0 DHADLP Fc1ccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)c(F)c1 ZINC000245614115 1025518143 /nfs/dbraw/zinc/51/81/43/1025518143.db2.gz XBZOQBNHTSSCRE-GJZGRUSLSA-N 2 2 306.400 3.560 20 0 DHADLP Fc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c(F)c1 ZINC000245614115 1025518153 /nfs/dbraw/zinc/51/81/53/1025518153.db2.gz XBZOQBNHTSSCRE-GJZGRUSLSA-N 2 2 306.400 3.560 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000127955753 1025562188 /nfs/dbraw/zinc/56/21/88/1025562188.db2.gz XAAJEJAPLJCZNX-CUDHKJQZSA-N 2 2 315.505 3.850 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000127955753 1025562199 /nfs/dbraw/zinc/56/21/99/1025562199.db2.gz XAAJEJAPLJCZNX-CUDHKJQZSA-N 2 2 315.505 3.850 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc2cccc(Cl)c2n1 ZINC001137227649 1025584062 /nfs/dbraw/zinc/58/40/62/1025584062.db2.gz BZVRJBWIZJLXTC-UHFFFAOYSA-N 2 2 305.853 3.662 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2cccc(Cl)c2n1 ZINC001137227649 1025584077 /nfs/dbraw/zinc/58/40/77/1025584077.db2.gz BZVRJBWIZJLXTC-UHFFFAOYSA-N 2 2 305.853 3.662 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCS2 ZINC000222015293 1025585031 /nfs/dbraw/zinc/58/50/31/1025585031.db2.gz YGOGTQNBUQGKOT-PMPSAXMXSA-N 2 2 306.450 3.579 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCS2 ZINC000222015293 1025585045 /nfs/dbraw/zinc/58/50/45/1025585045.db2.gz YGOGTQNBUQGKOT-PMPSAXMXSA-N 2 2 306.450 3.579 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccsc2S1 ZINC000222018521 1025597093 /nfs/dbraw/zinc/59/70/93/1025597093.db2.gz QIRXYRXSTDVVFD-ATGSNQNLSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ccsc2S1 ZINC000222018521 1025597107 /nfs/dbraw/zinc/59/71/07/1025597107.db2.gz QIRXYRXSTDVVFD-ATGSNQNLSA-N 2 2 308.516 3.890 20 0 DHADLP c1ccc(OC2CCCC2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000067185224 1025638625 /nfs/dbraw/zinc/63/86/25/1025638625.db2.gz PCNSOKANBRJHMF-UHFFFAOYSA-N 2 2 314.473 3.724 20 0 DHADLP CC(C)c1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000355211011 1025640433 /nfs/dbraw/zinc/64/04/33/1025640433.db2.gz TWKVRBOIYMIVLY-YOEHRIQHSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000355211011 1025640436 /nfs/dbraw/zinc/64/04/36/1025640436.db2.gz TWKVRBOIYMIVLY-YOEHRIQHSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000355211011 1025640443 /nfs/dbraw/zinc/64/04/43/1025640443.db2.gz TWKVRBOIYMIVLY-YOEHRIQHSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000355211011 1025640449 /nfs/dbraw/zinc/64/04/49/1025640449.db2.gz TWKVRBOIYMIVLY-YOEHRIQHSA-N 2 2 319.518 3.715 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000130976316 1025677389 /nfs/dbraw/zinc/67/73/89/1025677389.db2.gz FMTIHIUIOHSCMA-MJBXVCDLSA-N 2 2 317.502 3.861 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000130976316 1025677398 /nfs/dbraw/zinc/67/73/98/1025677398.db2.gz FMTIHIUIOHSCMA-MJBXVCDLSA-N 2 2 317.502 3.861 20 0 DHADLP Cc1cc(C(F)(F)F)cc(NC2CC([NH+]3CCCCC3)C2)[nH+]1 ZINC000663864465 1025749637 /nfs/dbraw/zinc/74/96/37/1025749637.db2.gz SVUYBQVRBRMIMP-UHFFFAOYSA-N 2 2 313.367 3.838 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@@H]3CCC(C)(C)C3)sc2C1 ZINC000355584971 1025774459 /nfs/dbraw/zinc/77/44/59/1025774459.db2.gz QTOBOPZFQWZJJY-CQSZACIVSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@@H]3CCC(C)(C)C3)sc2C1 ZINC000355584971 1025774474 /nfs/dbraw/zinc/77/44/74/1025774474.db2.gz QTOBOPZFQWZJJY-CQSZACIVSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@@H]3CCC(C)(C)C3)sc2C1 ZINC000355584971 1025774488 /nfs/dbraw/zinc/77/44/88/1025774488.db2.gz QTOBOPZFQWZJJY-CQSZACIVSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@@H]3CCC(C)(C)C3)sc2C1 ZINC000355584971 1025774502 /nfs/dbraw/zinc/77/45/02/1025774502.db2.gz QTOBOPZFQWZJJY-CQSZACIVSA-N 2 2 321.534 3.920 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cscc2C(F)(F)F)CC1 ZINC000356088592 1025943096 /nfs/dbraw/zinc/94/30/96/1025943096.db2.gz POUUALFYUCXPLP-UHFFFAOYSA-N 2 2 306.397 3.683 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cscc2C(F)(F)F)CC1 ZINC000356088592 1025943108 /nfs/dbraw/zinc/94/31/08/1025943108.db2.gz POUUALFYUCXPLP-UHFFFAOYSA-N 2 2 306.397 3.683 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cscc2C(F)(F)F)[C@@H](C)C1 ZINC000356109398 1025948600 /nfs/dbraw/zinc/94/86/00/1025948600.db2.gz KLYNDXTUQXGVFO-FZMZJTMJSA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cscc2C(F)(F)F)[C@@H](C)C1 ZINC000356109398 1025948611 /nfs/dbraw/zinc/94/86/11/1025948611.db2.gz KLYNDXTUQXGVFO-FZMZJTMJSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cscc2C(F)(F)F)[C@@H](C)C1 ZINC000356109398 1025948622 /nfs/dbraw/zinc/94/86/22/1025948622.db2.gz KLYNDXTUQXGVFO-FZMZJTMJSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cscc2C(F)(F)F)[C@@H](C)C1 ZINC000356109398 1025948634 /nfs/dbraw/zinc/94/86/34/1025948634.db2.gz KLYNDXTUQXGVFO-FZMZJTMJSA-N 2 2 320.424 3.929 20 0 DHADLP CC(C)Oc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052005717 1026095812 /nfs/dbraw/zinc/09/58/12/1026095812.db2.gz BRRBQKIAKKAAME-UHFFFAOYSA-N 2 2 316.489 3.924 20 0 DHADLP C[C@@H](C[NH2+]Cc1cc2ccnc(Cl)c2s1)Cn1cc[nH+]c1 ZINC000894206391 1026376751 /nfs/dbraw/zinc/37/67/51/1026376751.db2.gz HPTPCGPZQCFXEU-NSHDSACASA-N 2 2 320.849 3.572 20 0 DHADLP Fc1cc(-c2ccco2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000280083435 1026584433 /nfs/dbraw/zinc/58/44/33/1026584433.db2.gz MZFFIYBQRMEYEX-SJORKVTESA-N 2 2 314.404 3.802 20 0 DHADLP Fc1cc(-c2ccco2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000280083435 1026584444 /nfs/dbraw/zinc/58/44/44/1026584444.db2.gz MZFFIYBQRMEYEX-SJORKVTESA-N 2 2 314.404 3.802 20 0 DHADLP CC(C)COc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348528463 1026679749 /nfs/dbraw/zinc/67/97/49/1026679749.db2.gz YLQBXQRFAKPTDD-KRWDZBQOSA-N 2 2 313.445 3.824 20 0 DHADLP CC(C)COc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348528463 1026679755 /nfs/dbraw/zinc/67/97/55/1026679755.db2.gz YLQBXQRFAKPTDD-KRWDZBQOSA-N 2 2 313.445 3.824 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420309096 1026800486 /nfs/dbraw/zinc/80/04/86/1026800486.db2.gz OFFLBWDFJSGQEH-NWDGAFQWSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420309096 1026800495 /nfs/dbraw/zinc/80/04/95/1026800495.db2.gz OFFLBWDFJSGQEH-NWDGAFQWSA-N 2 2 321.877 3.633 20 0 DHADLP Cc1ccc(-c2cc(C[NH2+][C@H](C[NH3+])C3CCCCC3)on2)cc1 ZINC000420363822 1026809464 /nfs/dbraw/zinc/80/94/64/1026809464.db2.gz JWQIWXSLGWHNLP-LJQANCHMSA-N 2 2 313.445 3.647 20 0 DHADLP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420385175 1026811504 /nfs/dbraw/zinc/81/15/04/1026811504.db2.gz UPUPZJFGJVPIJD-CZUORRHYSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420385175 1026811513 /nfs/dbraw/zinc/81/15/13/1026811513.db2.gz UPUPZJFGJVPIJD-CZUORRHYSA-N 2 2 323.278 3.586 20 0 DHADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CC34CCSCC4)c2)c[nH+]1 ZINC000421390866 1026978113 /nfs/dbraw/zinc/97/81/13/1026978113.db2.gz VLPQQVXFICQURU-ZDUSSCGKSA-N 2 2 319.499 3.557 20 0 DHADLP CC1CC[NH+](CCC[NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000811472219 1027014541 /nfs/dbraw/zinc/01/45/41/1027014541.db2.gz ATNCUGOJCMLJJR-UHFFFAOYSA-N 2 2 316.276 3.600 20 0 DHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000421821426 1027057204 /nfs/dbraw/zinc/05/72/04/1027057204.db2.gz RHXVDHGVWFNFEQ-GFCCVEGCSA-N 2 2 308.853 3.626 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccsc2)Cc2ccc(F)cc2)CC1 ZINC001204044300 1027152543 /nfs/dbraw/zinc/15/25/43/1027152543.db2.gz HOJLJJHOUDTMRB-UHFFFAOYSA-N 2 2 318.461 3.984 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccsc2)Cc2ccc(F)cc2)CC1 ZINC001204044300 1027152546 /nfs/dbraw/zinc/15/25/46/1027152546.db2.gz HOJLJJHOUDTMRB-UHFFFAOYSA-N 2 2 318.461 3.984 20 0 DHADLP C([NH2+][C@H]1CC[C@@H]1C1CC1)C1([NH+]2CCSCC2)CCCCC1 ZINC000562041967 1027196142 /nfs/dbraw/zinc/19/61/42/1027196142.db2.gz SITQPGOGOMODBD-SJORKVTESA-N 2 2 308.535 3.516 20 0 DHADLP Fc1ccc(C2CC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC000572569348 1027214327 /nfs/dbraw/zinc/21/43/27/1027214327.db2.gz UBYLVGFRMDPLQW-KVWWFHCMSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccc(C2CC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC000572569348 1027214347 /nfs/dbraw/zinc/21/43/47/1027214347.db2.gz UBYLVGFRMDPLQW-KVWWFHCMSA-N 2 2 302.437 3.678 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@@H](C[NH+]4CCCC4)C3)[nH+]c2c1 ZINC000573426729 1027294721 /nfs/dbraw/zinc/29/47/21/1027294721.db2.gz XXZGEMFAEDPULI-KRWDZBQOSA-N 2 2 309.457 3.774 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cs2)o1 ZINC000422642348 1027294754 /nfs/dbraw/zinc/29/47/54/1027294754.db2.gz ZINHNGKPJSPXKN-BZPMIXESSA-N 2 2 319.474 3.517 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cs2)o1 ZINC000422642348 1027294768 /nfs/dbraw/zinc/29/47/68/1027294768.db2.gz ZINHNGKPJSPXKN-BZPMIXESSA-N 2 2 319.474 3.517 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000812716705 1027372810 /nfs/dbraw/zinc/37/28/10/1027372810.db2.gz DTAYFPHKSDVFDB-FUHWJXTLSA-N 2 2 313.445 3.671 20 0 DHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(-c2ccccc2)cs1 ZINC000422959710 1027380435 /nfs/dbraw/zinc/38/04/35/1027380435.db2.gz TZUZLOYOKCUPSB-SLHHOWHOSA-N 2 2 313.470 3.744 20 0 DHADLP COCC1CCC([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000295698503 1027393851 /nfs/dbraw/zinc/39/38/51/1027393851.db2.gz MEAIEVMDQQDDDH-KLHKWILBSA-N 2 2 313.445 3.728 20 0 DHADLP COc1ccc([C@@H]([NH2+]CCC2CC(F)(F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423163303 1027438273 /nfs/dbraw/zinc/43/82/73/1027438273.db2.gz MNXGOQMVORLGBA-IAGOWNOFSA-N 2 2 324.415 3.513 20 0 DHADLP CC(C)C([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)C ZINC000812839305 1027439839 /nfs/dbraw/zinc/43/98/39/1027439839.db2.gz PCTAEZOREMLQPQ-UHFFFAOYSA-N 2 2 317.521 3.992 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362915050 1027443232 /nfs/dbraw/zinc/44/32/32/1027443232.db2.gz YBLRRHVLNBEJQQ-LPHOPBHVSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362915050 1027443244 /nfs/dbraw/zinc/44/32/44/1027443244.db2.gz YBLRRHVLNBEJQQ-LPHOPBHVSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)cc1Cl ZINC000423190864 1027449639 /nfs/dbraw/zinc/44/96/39/1027449639.db2.gz RVJQRAVDWLHIJP-ZDUSSCGKSA-N 2 2 321.827 3.705 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(SCC(F)(F)F)cc1 ZINC000423197008 1027452067 /nfs/dbraw/zinc/45/20/67/1027452067.db2.gz XGVRKFZNTSDJMP-YPMHNXCESA-N 2 2 318.408 3.744 20 0 DHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423234103 1027455080 /nfs/dbraw/zinc/45/50/80/1027455080.db2.gz KYAROJFVERLSAZ-MAUKXSAKSA-N 2 2 310.441 3.765 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1csc(-c2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC000423216297 1027458487 /nfs/dbraw/zinc/45/84/87/1027458487.db2.gz OIXLZIRDISCSEJ-YCPHGPKFSA-N 2 2 315.486 3.849 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423238841 1027458544 /nfs/dbraw/zinc/45/85/44/1027458544.db2.gz JQDLANYILDMZMM-CXAGYDPISA-N 2 2 322.374 3.926 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423244205 1027471623 /nfs/dbraw/zinc/47/16/23/1027471623.db2.gz NIIVWFAJKBLFEY-RBUKOAKNSA-N 2 2 310.441 3.707 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423244204 1027473048 /nfs/dbraw/zinc/47/30/48/1027473048.db2.gz NIIVWFAJKBLFEY-OALUTQOASA-N 2 2 310.441 3.707 20 0 DHADLP CC(C)([NH3+])C[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423282185 1027483029 /nfs/dbraw/zinc/48/30/29/1027483029.db2.gz CHQYFXLGWHFJCF-NSHDSACASA-N 2 2 303.233 3.534 20 0 DHADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000423290142 1027486127 /nfs/dbraw/zinc/48/61/27/1027486127.db2.gz ZFHNTJGKOSFZMM-SNVBAGLBSA-N 2 2 304.356 3.595 20 0 DHADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423273488 1027490965 /nfs/dbraw/zinc/49/09/65/1027490965.db2.gz JAMPFLIWDQREPJ-TVQRCGJNSA-N 2 2 323.234 3.583 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000423304008 1027507794 /nfs/dbraw/zinc/50/77/94/1027507794.db2.gz XZJCWPKWSHTSQZ-UWVGGRQHSA-N 2 2 305.285 3.679 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1csc(-c2ccccc2)n1 ZINC000423358505 1027519616 /nfs/dbraw/zinc/51/96/16/1027519616.db2.gz NPSUIHXZLWPAST-UKRRQHHQSA-N 2 2 301.459 3.603 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000423371601 1027522743 /nfs/dbraw/zinc/52/27/43/1027522743.db2.gz HQQRRNRHAYVHDQ-BBBLOLIVSA-N 2 2 305.224 3.924 20 0 DHADLP COCCC[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(F)cc1 ZINC000423389974 1027531637 /nfs/dbraw/zinc/53/16/37/1027531637.db2.gz NXNYDNQSIGUBKU-QZTJIDSGSA-N 2 2 322.468 3.661 20 0 DHADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423392811 1027531797 /nfs/dbraw/zinc/53/17/97/1027531797.db2.gz QPQUVRFZJPXDHO-NZSAHSFTSA-N 2 2 316.489 3.522 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000576059255 1027554124 /nfs/dbraw/zinc/55/41/24/1027554124.db2.gz VLVFWFCJWCFNRW-ZWKOTPCHSA-N 2 2 311.473 3.951 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000576059255 1027554132 /nfs/dbraw/zinc/55/41/32/1027554132.db2.gz VLVFWFCJWCFNRW-ZWKOTPCHSA-N 2 2 311.473 3.951 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000423499246 1027562915 /nfs/dbraw/zinc/56/29/15/1027562915.db2.gz JENDLPOFDPGRSZ-MEDUHNTESA-N 2 2 303.475 3.673 20 0 DHADLP C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000423454730 1027563582 /nfs/dbraw/zinc/56/35/82/1027563582.db2.gz ZLBWLWXNKYEIEH-XWCIJXRUSA-N 2 2 306.812 3.894 20 0 DHADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2CC)s1 ZINC000423515863 1027577083 /nfs/dbraw/zinc/57/70/83/1027577083.db2.gz XNIDOGCQHMQIKD-BLLLJJGKSA-N 2 2 317.502 3.927 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423515959 1027577704 /nfs/dbraw/zinc/57/77/04/1027577704.db2.gz XRQHHDJKPAARKI-UXHICEINSA-N 2 2 309.457 3.775 20 0 DHADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2CC)s1 ZINC000423515865 1027578080 /nfs/dbraw/zinc/57/80/80/1027578080.db2.gz XNIDOGCQHMQIKD-LRDDRELGSA-N 2 2 317.502 3.927 20 0 DHADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@@H]3CCCC[NH2+]C3)cs2)cs1 ZINC000423568620 1027586122 /nfs/dbraw/zinc/58/61/22/1027586122.db2.gz VSIAHFQWXUSLSZ-BXUZGUMPSA-N 2 2 321.515 3.973 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)c(C)n1 ZINC000364348094 1027811618 /nfs/dbraw/zinc/81/16/18/1027811618.db2.gz QGXBYJMQJIOUCS-SFHVURJKSA-N 2 2 312.461 3.855 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)c(C)n1 ZINC000364348094 1027811637 /nfs/dbraw/zinc/81/16/37/1027811637.db2.gz QGXBYJMQJIOUCS-SFHVURJKSA-N 2 2 312.461 3.855 20 0 DHADLP CC(C)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527807958 1027892906 /nfs/dbraw/zinc/89/29/06/1027892906.db2.gz OGVNHVJTZKXXDU-GOSISDBHSA-N 2 2 302.462 3.580 20 0 DHADLP CC(C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527807958 1027892920 /nfs/dbraw/zinc/89/29/20/1027892920.db2.gz OGVNHVJTZKXXDU-GOSISDBHSA-N 2 2 302.462 3.580 20 0 DHADLP CCC[N@H+](CCC[C@@H](C)O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934184496 1027920844 /nfs/dbraw/zinc/92/08/44/1027920844.db2.gz CQLNQVQVZQRSHH-GOSISDBHSA-N 2 2 318.505 3.524 20 0 DHADLP CCC[N@@H+](CCC[C@@H](C)O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934184496 1027920858 /nfs/dbraw/zinc/92/08/58/1027920858.db2.gz CQLNQVQVZQRSHH-GOSISDBHSA-N 2 2 318.505 3.524 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000578099954 1028050519 /nfs/dbraw/zinc/05/05/19/1028050519.db2.gz QXLQYUOQBXLOFM-GHTZIAJQSA-N 2 2 324.468 3.980 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccco2)C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000578099954 1028050536 /nfs/dbraw/zinc/05/05/36/1028050536.db2.gz QXLQYUOQBXLOFM-GHTZIAJQSA-N 2 2 324.468 3.980 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000779059090 1028101041 /nfs/dbraw/zinc/10/10/41/1028101041.db2.gz CLOWYHMAYRPEDQ-MEDUHNTESA-N 2 2 313.272 3.608 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000779059090 1028101046 /nfs/dbraw/zinc/10/10/46/1028101046.db2.gz CLOWYHMAYRPEDQ-MEDUHNTESA-N 2 2 313.272 3.608 20 0 DHADLP Clc1ccc(C2=CC[N@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000367584936 1028208904 /nfs/dbraw/zinc/20/89/04/1028208904.db2.gz BZFRMKGBESDBOE-UHFFFAOYSA-N 2 2 301.821 3.716 20 0 DHADLP Clc1ccc(C2=CC[N@@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000367584936 1028208923 /nfs/dbraw/zinc/20/89/23/1028208923.db2.gz BZFRMKGBESDBOE-UHFFFAOYSA-N 2 2 301.821 3.716 20 0 DHADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368097885 1028297411 /nfs/dbraw/zinc/29/74/11/1028297411.db2.gz ACNRSOZQSVLCMJ-ZBFHGGJFSA-N 2 2 313.445 3.653 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C(F)(F)F)c1 ZINC000368099489 1028299678 /nfs/dbraw/zinc/29/96/78/1028299678.db2.gz FQLBYJSXGVJFNB-GXFFZTMASA-N 2 2 309.335 3.637 20 0 DHADLP CC(C)[C@@H](CSc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101846 1028299844 /nfs/dbraw/zinc/29/98/44/1028299844.db2.gz VRZXQRPSNYCHLS-KBXCAEBGSA-N 2 2 315.486 3.674 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102781 1028300169 /nfs/dbraw/zinc/30/01/69/1028300169.db2.gz PTJNQWQBXFTRCV-DGCLKSJQSA-N 2 2 323.362 3.507 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)o1 ZINC000368105958 1028304879 /nfs/dbraw/zinc/30/48/79/1028304879.db2.gz YWWVDQRUZQSZCI-DZGCQCFKSA-N 2 2 307.397 3.878 20 0 DHADLP Clc1ccc(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)o2)cc1 ZINC000579100117 1028323106 /nfs/dbraw/zinc/32/31/06/1028323106.db2.gz KRSMBSSLBZCPGI-UHFFFAOYSA-N 2 2 316.832 3.928 20 0 DHADLP CC[N@H+](C/C=C(/C)Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000528393095 1028377729 /nfs/dbraw/zinc/37/77/29/1028377729.db2.gz IOBGSGAGZNQZBC-CHHVJCJISA-N 2 2 307.869 3.763 20 0 DHADLP CC[N@@H+](C/C=C(/C)Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000528393095 1028377748 /nfs/dbraw/zinc/37/77/48/1028377748.db2.gz IOBGSGAGZNQZBC-CHHVJCJISA-N 2 2 307.869 3.763 20 0 DHADLP c1c(CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)[nH+]c2n1CCCC2 ZINC000368719076 1028398961 /nfs/dbraw/zinc/39/89/61/1028398961.db2.gz MQFQOFPIUQYZDG-RTBURBONSA-N 2 2 323.484 3.763 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)c1ccc(Cl)cc1 ZINC000369390819 1028484350 /nfs/dbraw/zinc/48/43/50/1028484350.db2.gz FKLNFLAQMZHIDQ-CVEARBPZSA-N 2 2 303.837 3.901 20 0 DHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000564686568 1028491098 /nfs/dbraw/zinc/49/10/98/1028491098.db2.gz FWEKNCNGYMDUEI-UHFFFAOYSA-N 2 2 308.775 3.742 20 0 DHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000564686568 1028491104 /nfs/dbraw/zinc/49/11/04/1028491104.db2.gz FWEKNCNGYMDUEI-UHFFFAOYSA-N 2 2 308.775 3.742 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2ccccc2n1 ZINC000370668867 1028634176 /nfs/dbraw/zinc/63/41/76/1028634176.db2.gz ACVPTFJBYXLYBM-OAHLLOKOSA-N 2 2 320.440 3.661 20 0 DHADLP CC[N@H+](CCCF)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370729631 1028643650 /nfs/dbraw/zinc/64/36/50/1028643650.db2.gz UHEYNFHTCUEKPV-UHFFFAOYSA-N 2 2 322.472 3.559 20 0 DHADLP CC[N@@H+](CCCF)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370729631 1028643657 /nfs/dbraw/zinc/64/36/57/1028643657.db2.gz UHEYNFHTCUEKPV-UHFFFAOYSA-N 2 2 322.472 3.559 20 0 DHADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1sccc1Br ZINC000566088122 1028678467 /nfs/dbraw/zinc/67/84/67/1028678467.db2.gz BATPDCZNUGZOMV-VIFPVBQESA-N 2 2 305.285 3.679 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@H](C)[NH+](C)C ZINC000449557397 1028799546 /nfs/dbraw/zinc/79/95/46/1028799546.db2.gz QSDNMJKXPDNBKF-SRXBQZRASA-N 2 2 300.368 3.648 20 0 DHADLP C[C@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000372175448 1028816875 /nfs/dbraw/zinc/81/68/75/1028816875.db2.gz IWUSMEDSDMUXFZ-LIRRHRJNSA-N 2 2 302.437 3.762 20 0 DHADLP C[C@H]1CCC[N@H+]1C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000372175448 1028816896 /nfs/dbraw/zinc/81/68/96/1028816896.db2.gz IWUSMEDSDMUXFZ-LIRRHRJNSA-N 2 2 302.437 3.762 20 0 DHADLP C[C@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000372175411 1028819317 /nfs/dbraw/zinc/81/93/17/1028819317.db2.gz IWUSMEDSDMUXFZ-IFXJQAMLSA-N 2 2 302.437 3.762 20 0 DHADLP C[C@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000372175411 1028819325 /nfs/dbraw/zinc/81/93/25/1028819325.db2.gz IWUSMEDSDMUXFZ-IFXJQAMLSA-N 2 2 302.437 3.762 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@@H]1c1ccccc1 ZINC000567255673 1028862738 /nfs/dbraw/zinc/86/27/38/1028862738.db2.gz JSMLYYVHQQMCTC-RBUKOAKNSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@@H]1c1ccccc1 ZINC000567255673 1028862756 /nfs/dbraw/zinc/86/27/56/1028862756.db2.gz JSMLYYVHQQMCTC-RBUKOAKNSA-N 2 2 316.395 3.890 20 0 DHADLP c1ccc2nc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cnc2c1 ZINC000628226150 1028947796 /nfs/dbraw/zinc/94/77/96/1028947796.db2.gz BPTZBXFQQNJKPN-UHFFFAOYSA-N 2 2 324.472 3.517 20 0 DHADLP CC1(C)CCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373486605 1029060284 /nfs/dbraw/zinc/06/02/84/1029060284.db2.gz SMLYSNGCOQIFQD-YMAMQOFZSA-N 2 2 318.427 3.960 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cnc2ccsc2c1 ZINC000373524620 1029070281 /nfs/dbraw/zinc/07/02/81/1029070281.db2.gz TZLXUDMSHZTLRL-JEYLPNPQSA-N 2 2 315.486 3.964 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(s1)CCCC2 ZINC000570090545 1029313727 /nfs/dbraw/zinc/31/37/27/1029313727.db2.gz NCPLLGUTUXPCPQ-WCQYABFASA-N 2 2 301.459 3.558 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817984063 1029322955 /nfs/dbraw/zinc/32/29/55/1029322955.db2.gz MKOHKQHDTQVWLG-DGCLKSJQSA-N 2 2 300.418 3.794 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Cl)ccc1F)CCC2 ZINC000374430756 1029335047 /nfs/dbraw/zinc/33/50/47/1029335047.db2.gz UADCROJDWIXPKY-LBPRGKRZSA-N 2 2 307.800 3.651 20 0 DHADLP Cc1ccc2ncc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2c1 ZINC000629514594 1029353186 /nfs/dbraw/zinc/35/31/86/1029353186.db2.gz LUWANGSMSAGNGO-UHFFFAOYSA-N 2 2 309.457 3.507 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000629540899 1029361556 /nfs/dbraw/zinc/36/15/56/1029361556.db2.gz YHJHEYSLIPQBIG-VYDXJSESSA-N 2 2 320.477 3.665 20 0 DHADLP Clc1cccc2c(N3CC[C@@H](C[NH+]4CCCC4)C3)cc[nH+]c12 ZINC000570415201 1029364076 /nfs/dbraw/zinc/36/40/76/1029364076.db2.gz XATAWFFTOQDTQF-AWEZNQCLSA-N 2 2 315.848 3.810 20 0 DHADLP C[C@@H](CC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)[NH+]1CCCCC1 ZINC000570651111 1029399557 /nfs/dbraw/zinc/39/95/57/1029399557.db2.gz YKKUPQUODOZVFM-FUHWJXTLSA-N 2 2 318.509 3.885 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529550717 1029406806 /nfs/dbraw/zinc/40/68/06/1029406806.db2.gz PKCFZNSTSXBOLJ-YOEHRIQHSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529550717 1029406811 /nfs/dbraw/zinc/40/68/11/1029406811.db2.gz PKCFZNSTSXBOLJ-YOEHRIQHSA-N 2 2 308.416 3.674 20 0 DHADLP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)[C@H]2C1 ZINC000450430413 1029469079 /nfs/dbraw/zinc/46/90/79/1029469079.db2.gz RQFCQNMUZVPVLK-DIFFPNOSSA-N 2 2 319.811 3.558 20 0 DHADLP C[N@H+]1CC[C@@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)[C@H]2C1 ZINC000450430413 1029469082 /nfs/dbraw/zinc/46/90/82/1029469082.db2.gz RQFCQNMUZVPVLK-DIFFPNOSSA-N 2 2 319.811 3.558 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450632121 1029589870 /nfs/dbraw/zinc/58/98/70/1029589870.db2.gz LGTFDKOVVHBYKC-CABCVRRESA-N 2 2 311.420 3.500 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450632121 1029589877 /nfs/dbraw/zinc/58/98/77/1029589877.db2.gz LGTFDKOVVHBYKC-CABCVRRESA-N 2 2 311.420 3.500 20 0 DHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170935417 1029600665 /nfs/dbraw/zinc/60/06/65/1029600665.db2.gz RGJPGTNLFUXLJC-MRXNPFEDSA-N 2 2 306.881 3.613 20 0 DHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170935417 1029600670 /nfs/dbraw/zinc/60/06/70/1029600670.db2.gz RGJPGTNLFUXLJC-MRXNPFEDSA-N 2 2 306.881 3.613 20 0 DHADLP CC[C@H]1C[C@H]([NH2+]Cc2cc(F)c(Cl)cc2Cl)CC[NH2+]1 ZINC001246077027 1029725224 /nfs/dbraw/zinc/72/52/24/1029725224.db2.gz QKFWCHIFDGWHFZ-WDEREUQCSA-N 2 2 305.224 3.753 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(OC(F)(F)F)c1 ZINC000530220537 1029782012 /nfs/dbraw/zinc/78/20/12/1029782012.db2.gz OJAHYMFQRXOMDY-RISCZKNCSA-N 2 2 314.351 3.520 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[NH2+]C34CCC4)ccc2c1 ZINC000530216615 1029785731 /nfs/dbraw/zinc/78/57/31/1029785731.db2.gz CJUGUKHGLRPNGB-IFXJQAMLSA-N 2 2 310.441 3.784 20 0 DHADLP CC(C)C[C@H](C)C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000290191941 1029941126 /nfs/dbraw/zinc/94/11/26/1029941126.db2.gz CHCMWFNBKSQPTM-DLBZAZTESA-N 2 2 303.494 3.879 20 0 DHADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCc3cccc(F)c3C2)cc1 ZINC001170978107 1029943759 /nfs/dbraw/zinc/94/37/59/1029943759.db2.gz SUVBZDWMEVZFQB-QGZVFWFLSA-N 2 2 321.399 3.878 20 0 DHADLP ClC1(Cl)C[C@@H]1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000822583622 1030075988 /nfs/dbraw/zinc/07/59/88/1030075988.db2.gz RHGALSODFXZYGP-ZDUSSCGKSA-N 2 2 305.293 3.521 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccccc1 ZINC000290496541 1030076196 /nfs/dbraw/zinc/07/61/96/1030076196.db2.gz YALUMIOZLUPHKE-YRNRMSPPSA-N 2 2 321.424 3.645 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924750256 1030179809 /nfs/dbraw/zinc/17/98/09/1030179809.db2.gz DQYOEIXFSUFLQI-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924750256 1030179815 /nfs/dbraw/zinc/17/98/15/1030179815.db2.gz DQYOEIXFSUFLQI-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP c1cn(-c2ccccc2C[NH2+][C@@H](c2ccccn2)C2CCC2)c[nH+]1 ZINC000924768324 1030181427 /nfs/dbraw/zinc/18/14/27/1030181427.db2.gz FFBDPKRVHVUKBP-HXUWFJFHSA-N 2 2 318.424 3.898 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)CCc1cncc2ccccc21)[N@H+](C)C1CC1 ZINC000866261732 1030186293 /nfs/dbraw/zinc/18/62/93/1030186293.db2.gz WGBAFGCLHMUCKY-JKSUJKDBSA-N 2 2 311.473 3.628 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)CCc1cncc2ccccc21)[N@@H+](C)C1CC1 ZINC000866261732 1030186297 /nfs/dbraw/zinc/18/62/97/1030186297.db2.gz WGBAFGCLHMUCKY-JKSUJKDBSA-N 2 2 311.473 3.628 20 0 DHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000290829067 1030211062 /nfs/dbraw/zinc/21/10/62/1030211062.db2.gz HUIAYXYBYIIAKF-LBPRGKRZSA-N 2 2 316.276 3.598 20 0 DHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000290829067 1030211084 /nfs/dbraw/zinc/21/10/84/1030211084.db2.gz HUIAYXYBYIIAKF-LBPRGKRZSA-N 2 2 316.276 3.598 20 0 DHADLP CCC(CC)n1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000533322606 1030267763 /nfs/dbraw/zinc/26/77/63/1030267763.db2.gz KEFOINKJTSBKBX-UHFFFAOYSA-N 2 2 318.509 3.552 20 0 DHADLP Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000358001173 1030273703 /nfs/dbraw/zinc/27/37/03/1030273703.db2.gz DPWGYGCQXWKXKX-FQEVSTJZSA-N 2 2 321.399 3.848 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccns1 ZINC000925132682 1030282045 /nfs/dbraw/zinc/28/20/45/1030282045.db2.gz AVPATSHKFJEVIH-WOSRLPQWSA-N 2 2 321.515 3.938 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccns1 ZINC000925132682 1030282033 /nfs/dbraw/zinc/28/20/33/1030282033.db2.gz AVPATSHKFJEVIH-WOSRLPQWSA-N 2 2 321.515 3.938 20 0 DHADLP C[C@H](CC[NH2+][C@@H](C)c1ccns1)[N@H+](C)Cc1ccccc1 ZINC000925202191 1030301687 /nfs/dbraw/zinc/30/16/87/1030301687.db2.gz HAXPIWXJNRWRGH-CABCVRRESA-N 2 2 303.475 3.704 20 0 DHADLP C[C@H](CC[NH2+][C@@H](C)c1ccns1)[N@@H+](C)Cc1ccccc1 ZINC000925202191 1030301699 /nfs/dbraw/zinc/30/16/99/1030301699.db2.gz HAXPIWXJNRWRGH-CABCVRRESA-N 2 2 303.475 3.704 20 0 DHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925517935 1030382870 /nfs/dbraw/zinc/38/28/70/1030382870.db2.gz OVWKLUNTZGGFRT-VOBQZIQPSA-N 2 2 310.441 3.751 20 0 DHADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](c2nccs2)c2ccccc2)C1 ZINC000925530349 1030387263 /nfs/dbraw/zinc/38/72/63/1030387263.db2.gz DRRXYVZBLNFKMK-OAGGEKHMSA-N 2 2 315.486 3.728 20 0 DHADLP Clc1ccc(Cl)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1Cl ZINC000666763623 1030418055 /nfs/dbraw/zinc/41/80/55/1030418055.db2.gz HXEFNCOWXAEHIW-VIFPVBQESA-N 2 2 307.652 3.736 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1c(C)noc1C ZINC000925637622 1030428769 /nfs/dbraw/zinc/42/87/69/1030428769.db2.gz OWOVBDCHFPZWIZ-QGZVFWFLSA-N 2 2 307.482 3.843 20 0 DHADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000925698497 1030457529 /nfs/dbraw/zinc/45/75/29/1030457529.db2.gz FMLOUKAYYXXWPY-PMXSJFBMSA-N 2 2 324.468 3.634 20 0 DHADLP CC(C)C[C@H](c1ccccc1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749237 1030477582 /nfs/dbraw/zinc/47/75/82/1030477582.db2.gz WAXAUEYVAAFASB-MRXNPFEDSA-N 2 2 315.486 3.747 20 0 DHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925785578 1030494728 /nfs/dbraw/zinc/49/47/28/1030494728.db2.gz LMKPBOIUXFNRJB-ZRGWGRIASA-N 2 2 310.441 3.621 20 0 DHADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000558255357 1030501009 /nfs/dbraw/zinc/50/10/09/1030501009.db2.gz LRKUZWFHTRGNFN-SGUAIBKKSA-N 2 2 304.478 3.502 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000925799568 1030501179 /nfs/dbraw/zinc/50/11/79/1030501179.db2.gz ZKIOHIDJFPMTAD-IRXDYDNUSA-N 2 2 322.880 3.539 20 0 DHADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000358475872 1030503469 /nfs/dbraw/zinc/50/34/69/1030503469.db2.gz WRLWAUQNJKMZJV-KCQAQPDRSA-N 2 2 307.507 3.755 20 0 DHADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000358475872 1030503475 /nfs/dbraw/zinc/50/34/75/1030503475.db2.gz WRLWAUQNJKMZJV-KCQAQPDRSA-N 2 2 307.507 3.755 20 0 DHADLP c1ccc([C@@H]2C[C@H]([NH2+][C@@H](c3ccccn3)C3CC3)CC[NH2+]2)cc1 ZINC000925820476 1030507819 /nfs/dbraw/zinc/50/78/19/1030507819.db2.gz FSDUGLYHONNDDW-YZGWKJHDSA-N 2 2 307.441 3.616 20 0 DHADLP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000925877694 1030532885 /nfs/dbraw/zinc/53/28/85/1030532885.db2.gz MCSGVHGZUUZSJS-XFKSJGNHSA-N 2 2 308.425 3.721 20 0 DHADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063646 1030625460 /nfs/dbraw/zinc/62/54/60/1030625460.db2.gz NIIVASQJSNUCKW-ZIAGYGMSSA-N 2 2 313.272 3.535 20 0 DHADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063646 1030625463 /nfs/dbraw/zinc/62/54/63/1030625463.db2.gz NIIVASQJSNUCKW-ZIAGYGMSSA-N 2 2 313.272 3.535 20 0 DHADLP CCSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926223689 1030664221 /nfs/dbraw/zinc/66/42/21/1030664221.db2.gz CPTKIOXRINKBFC-GOEBONIOSA-N 2 2 315.486 3.531 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000247331466 1030687700 /nfs/dbraw/zinc/68/77/00/1030687700.db2.gz MMDAFDHJYWODAZ-MBOZVWFJSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000247331466 1030687706 /nfs/dbraw/zinc/68/77/06/1030687706.db2.gz MMDAFDHJYWODAZ-MBOZVWFJSA-N 2 2 315.505 3.850 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1OCC ZINC000247981502 1030713489 /nfs/dbraw/zinc/71/34/89/1030713489.db2.gz MVADIYHXPDOJJH-WBVHZDCISA-N 2 2 320.477 3.619 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1OCC ZINC000247981502 1030713507 /nfs/dbraw/zinc/71/35/07/1030713507.db2.gz MVADIYHXPDOJJH-WBVHZDCISA-N 2 2 320.477 3.619 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](Cc4ccccn4)CC[C@H]32)cc1 ZINC000248143500 1030720080 /nfs/dbraw/zinc/72/00/80/1030720080.db2.gz PWXMMDJRYSRONX-PZJWPPBQSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](Cc4ccccn4)CC[C@H]32)cc1 ZINC000248143500 1030720096 /nfs/dbraw/zinc/72/00/96/1030720096.db2.gz PWXMMDJRYSRONX-PZJWPPBQSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](Cc4ccccn4)CC[C@H]32)cc1 ZINC000248143500 1030720109 /nfs/dbraw/zinc/72/01/09/1030720109.db2.gz PWXMMDJRYSRONX-PZJWPPBQSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](Cc4ccccn4)CC[C@H]32)cc1 ZINC000248143500 1030720123 /nfs/dbraw/zinc/72/01/23/1030720123.db2.gz PWXMMDJRYSRONX-PZJWPPBQSA-N 2 2 321.468 3.568 20 0 DHADLP c1csc([C@@H]2C[C@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CCO2)c1 ZINC000926538661 1030788139 /nfs/dbraw/zinc/78/81/39/1030788139.db2.gz SWVPGGDGWAVTQD-QZWWFDLISA-N 2 2 320.502 3.575 20 0 DHADLP c1csc([C@@H]2C[C@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CCO2)c1 ZINC000926538661 1030788149 /nfs/dbraw/zinc/78/81/49/1030788149.db2.gz SWVPGGDGWAVTQD-QZWWFDLISA-N 2 2 320.502 3.575 20 0 DHADLP COCc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)o1 ZINC000359150326 1030802217 /nfs/dbraw/zinc/80/22/17/1030802217.db2.gz YHQDPLCSUJRHNM-UHFFFAOYSA-N 2 2 308.466 3.560 20 0 DHADLP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926643395 1030835832 /nfs/dbraw/zinc/83/58/32/1030835832.db2.gz RVOGVTTWFNHKFC-LXTVHRRPSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926643395 1030835847 /nfs/dbraw/zinc/83/58/47/1030835847.db2.gz RVOGVTTWFNHKFC-LXTVHRRPSA-N 2 2 304.400 3.714 20 0 DHADLP CC[N@H+](CCC[NH2+][C@@H](C)c1c(C)noc1C)C1CCCCC1 ZINC000926653447 1030842099 /nfs/dbraw/zinc/84/20/99/1030842099.db2.gz ZLAMOJAYSJSNFM-AWEZNQCLSA-N 2 2 307.482 3.987 20 0 DHADLP CC[N@@H+](CCC[NH2+][C@@H](C)c1c(C)noc1C)C1CCCCC1 ZINC000926653447 1030842119 /nfs/dbraw/zinc/84/21/19/1030842119.db2.gz ZLAMOJAYSJSNFM-AWEZNQCLSA-N 2 2 307.482 3.987 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000926754756 1030905529 /nfs/dbraw/zinc/90/55/29/1030905529.db2.gz RWAGMMSQUMJZIP-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000926754756 1030905541 /nfs/dbraw/zinc/90/55/41/1030905541.db2.gz RWAGMMSQUMJZIP-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000926897600 1030976190 /nfs/dbraw/zinc/97/61/90/1030976190.db2.gz KCKWUTIEHYPRBL-OAHLLOKOSA-N 2 2 313.420 3.849 20 0 DHADLP Cc1cnc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c(C)c1 ZINC000926955187 1031014572 /nfs/dbraw/zinc/01/45/72/1031014572.db2.gz QABKUPRPVJSTJB-HNAYVOBHSA-N 2 2 315.505 3.831 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000359593477 1031048600 /nfs/dbraw/zinc/04/86/00/1031048600.db2.gz RYJBNFWGMURCID-FUHWJXTLSA-N 2 2 302.462 3.591 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000359593477 1031048612 /nfs/dbraw/zinc/04/86/12/1031048612.db2.gz RYJBNFWGMURCID-FUHWJXTLSA-N 2 2 302.462 3.591 20 0 DHADLP Clc1cnc2oc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2c1 ZINC000648563559 1031103611 /nfs/dbraw/zinc/10/36/11/1031103611.db2.gz FHAZWGXFIBAOLJ-UHFFFAOYSA-N 2 2 319.836 3.588 20 0 DHADLP CCc1onc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000927138341 1031112834 /nfs/dbraw/zinc/11/28/34/1031112834.db2.gz DXSIWTFUJGPVPU-WMLDXEAASA-N 2 2 319.493 3.678 20 0 DHADLP CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000927138835 1031115336 /nfs/dbraw/zinc/11/53/36/1031115336.db2.gz HPBXPDODOIWLHH-ZDUSSCGKSA-N 2 2 324.428 3.890 20 0 DHADLP C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927160695 1031125135 /nfs/dbraw/zinc/12/51/35/1031125135.db2.gz UMPQRMSVYPPFGE-QAPCUYQASA-N 2 2 311.429 3.625 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)CCC2 ZINC000359951784 1031215445 /nfs/dbraw/zinc/21/54/45/1031215445.db2.gz DRAOOQMTOVASQD-STQMWFEESA-N 2 2 305.372 3.698 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000292897170 1031239542 /nfs/dbraw/zinc/23/95/42/1031239542.db2.gz VSVAOYVVYFNXRI-DOTOQJQBSA-N 2 2 303.494 3.682 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000292897170 1031239553 /nfs/dbraw/zinc/23/95/53/1031239553.db2.gz VSVAOYVVYFNXRI-DOTOQJQBSA-N 2 2 303.494 3.682 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000292897170 1031239562 /nfs/dbraw/zinc/23/95/62/1031239562.db2.gz VSVAOYVVYFNXRI-DOTOQJQBSA-N 2 2 303.494 3.682 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000292897170 1031239573 /nfs/dbraw/zinc/23/95/73/1031239573.db2.gz VSVAOYVVYFNXRI-DOTOQJQBSA-N 2 2 303.494 3.682 20 0 DHADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(Cl)ccc1OC ZINC000360037517 1031249806 /nfs/dbraw/zinc/24/98/06/1031249806.db2.gz KKYMZEIPJMIWPO-SWLSCSKDSA-N 2 2 307.825 3.675 20 0 DHADLP CC[C@@H](C[NH2+][C@H]1CCCOc2ccc(C)cc21)[NH+]1CCCC1 ZINC000360056210 1031259550 /nfs/dbraw/zinc/25/95/50/1031259550.db2.gz RKCLGXSDLRTSLR-WMZOPIPTSA-N 2 2 302.462 3.673 20 0 DHADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCOC1 ZINC000872017595 1031399232 /nfs/dbraw/zinc/39/92/32/1031399232.db2.gz CRIFOKCJEQJMCM-AYBZRNKSSA-N 2 2 313.445 3.728 20 0 DHADLP CC[C@H](CCC(F)(F)F)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000872035017 1031419949 /nfs/dbraw/zinc/41/99/49/1031419949.db2.gz JWWNACUGVRBGLQ-CYBMUJFWSA-N 2 2 324.431 3.587 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cc(O)ccc1F ZINC000872041263 1031425609 /nfs/dbraw/zinc/42/56/09/1031425609.db2.gz RIVZXYMNZDVZOL-AWEZNQCLSA-N 2 2 320.452 3.979 20 0 DHADLP C[C@@](Cc1ccccc1)([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC001171156485 1031432271 /nfs/dbraw/zinc/43/22/71/1031432271.db2.gz MTSLZJRGHRWKJW-NRFANRHFSA-N 2 2 308.469 3.830 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000872087197 1031483307 /nfs/dbraw/zinc/48/33/07/1031483307.db2.gz GXMFOSXKGYIYIY-SZMVWBNQSA-N 2 2 308.510 3.577 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000872087197 1031483319 /nfs/dbraw/zinc/48/33/19/1031483319.db2.gz GXMFOSXKGYIYIY-SZMVWBNQSA-N 2 2 308.510 3.577 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000872087195 1031483580 /nfs/dbraw/zinc/48/35/80/1031483580.db2.gz GXMFOSXKGYIYIY-NXHRZFHOSA-N 2 2 308.510 3.577 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000872087195 1031483581 /nfs/dbraw/zinc/48/35/81/1031483581.db2.gz GXMFOSXKGYIYIY-NXHRZFHOSA-N 2 2 308.510 3.577 20 0 DHADLP CC1([NH+]2CCCCC2)CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000872664063 1031641037 /nfs/dbraw/zinc/64/10/37/1031641037.db2.gz PZHFKBSABQWSAI-UHFFFAOYSA-N 2 2 324.472 3.662 20 0 DHADLP COc1cc(Cl)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001144494947 1031644381 /nfs/dbraw/zinc/64/43/81/1031644381.db2.gz HRCPCWOINAIIOJ-UHFFFAOYSA-N 2 2 310.869 3.653 20 0 DHADLP COc1cc(Cl)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001144494947 1031644391 /nfs/dbraw/zinc/64/43/91/1031644391.db2.gz HRCPCWOINAIIOJ-UHFFFAOYSA-N 2 2 310.869 3.653 20 0 DHADLP CC[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)CC(C)(C)C ZINC000361009537 1031674820 /nfs/dbraw/zinc/67/48/20/1031674820.db2.gz LFWAKLZGEDUYLS-UHFFFAOYSA-N 2 2 309.523 3.778 20 0 DHADLP CC[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)CC(C)(C)C ZINC000361009537 1031674834 /nfs/dbraw/zinc/67/48/34/1031674834.db2.gz LFWAKLZGEDUYLS-UHFFFAOYSA-N 2 2 309.523 3.778 20 0 DHADLP CC[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)CC(C)(C)C ZINC000361009537 1031674842 /nfs/dbraw/zinc/67/48/42/1031674842.db2.gz LFWAKLZGEDUYLS-UHFFFAOYSA-N 2 2 309.523 3.778 20 0 DHADLP CC[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)CC(C)(C)C ZINC000361009537 1031674851 /nfs/dbraw/zinc/67/48/51/1031674851.db2.gz LFWAKLZGEDUYLS-UHFFFAOYSA-N 2 2 309.523 3.778 20 0 DHADLP Cc1cc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)ccc1Oc1cccnc1 ZINC000873230554 1031765335 /nfs/dbraw/zinc/76/53/35/1031765335.db2.gz TXDPDKXROBVRPI-UXHICEINSA-N 2 2 323.440 3.557 20 0 DHADLP CC(C)(C)Oc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897977375 1031908044 /nfs/dbraw/zinc/90/80/44/1031908044.db2.gz FELRVBZVTGUSRY-UHFFFAOYSA-N 2 2 316.489 3.970 20 0 DHADLP Cc1ccncc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361410770 1031913246 /nfs/dbraw/zinc/91/32/46/1031913246.db2.gz QYXRNMMUFQATRI-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP Cc1ccncc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361410770 1031913259 /nfs/dbraw/zinc/91/32/59/1031913259.db2.gz QYXRNMMUFQATRI-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000361483074 1031946849 /nfs/dbraw/zinc/94/68/49/1031946849.db2.gz BYYMEUPMLUHTQN-HXUWFJFHSA-N 2 2 319.408 3.658 20 0 DHADLP COc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361495615 1031957213 /nfs/dbraw/zinc/95/72/13/1031957213.db2.gz GFBHQFMDEXHMND-IBGZPJMESA-N 2 2 319.408 3.658 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1cccc(OC)c1 ZINC000361665794 1032046172 /nfs/dbraw/zinc/04/61/72/1032046172.db2.gz ZJSNTKBGEKVYEN-WMZOPIPTSA-N 2 2 313.445 3.818 20 0 DHADLP CC1(C)CC(n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC(C)(C)O1 ZINC001172655261 1033307780 /nfs/dbraw/zinc/30/77/80/1033307780.db2.gz TUXWQMHSGKMPCZ-UHFFFAOYSA-N 2 2 313.445 3.918 20 0 DHADLP CO[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000338315277 1033320834 /nfs/dbraw/zinc/32/08/34/1033320834.db2.gz JYLOYPNSISFVCS-INIZCTEOSA-N 2 2 319.836 3.630 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(OC(C)(C)C)c1 ZINC000877527314 1033338246 /nfs/dbraw/zinc/33/82/46/1033338246.db2.gz KHMUOQXHTNLNEB-UHFFFAOYSA-N 2 2 301.434 3.583 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(OC(C)(C)C)c1 ZINC000877527314 1033338252 /nfs/dbraw/zinc/33/82/52/1033338252.db2.gz KHMUOQXHTNLNEB-UHFFFAOYSA-N 2 2 301.434 3.583 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000877675362 1033406844 /nfs/dbraw/zinc/40/68/44/1033406844.db2.gz YFPVGRXDSSQXHJ-UHFFFAOYSA-N 2 2 309.457 3.685 20 0 DHADLP Cc1ccc2c(c1)C[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001172839300 1033410504 /nfs/dbraw/zinc/41/05/04/1033410504.db2.gz PNXRQQXQKNGZSL-HXUWFJFHSA-N 2 2 321.468 3.506 20 0 DHADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC[NH+]1CCC(C)CC1 ZINC001172840106 1033410534 /nfs/dbraw/zinc/41/05/34/1033410534.db2.gz WVTUXSNUJCUMLX-CQSZACIVSA-N 2 2 312.860 3.732 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001172844908 1033415842 /nfs/dbraw/zinc/41/58/42/1033415842.db2.gz ZGKSFGSSPSHHAU-HXUWFJFHSA-N 2 2 321.468 3.506 20 0 DHADLP C[C@@H](Cc1c(F)cccc1Cl)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172859085 1033429034 /nfs/dbraw/zinc/42/90/34/1033429034.db2.gz YBCPVZSBKSBVGX-STQMWFEESA-N 2 2 321.827 3.946 20 0 DHADLP COCc1ccc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)cc1 ZINC000877793766 1033448645 /nfs/dbraw/zinc/44/86/45/1033448645.db2.gz AHOZQPTUQFRFSF-UHFFFAOYSA-N 2 2 316.489 3.673 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172885221 1033459943 /nfs/dbraw/zinc/45/99/43/1033459943.db2.gz KZLKOHSDTKMFIZ-CQSZACIVSA-N 2 2 324.921 3.991 20 0 DHADLP Cc1ccc(-c2ccc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)o2)cc1 ZINC000126845218 1033556991 /nfs/dbraw/zinc/55/69/91/1033556991.db2.gz OSMDCDHCSDIHJP-INIZCTEOSA-N 2 2 309.413 3.877 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000339023952 1033586957 /nfs/dbraw/zinc/58/69/57/1033586957.db2.gz VJNGXBIHLVXHKV-FXAWDEMLSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000339023952 1033586969 /nfs/dbraw/zinc/58/69/69/1033586969.db2.gz VJNGXBIHLVXHKV-FXAWDEMLSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000339023952 1033586978 /nfs/dbraw/zinc/58/69/78/1033586978.db2.gz VJNGXBIHLVXHKV-FXAWDEMLSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000339023952 1033586985 /nfs/dbraw/zinc/58/69/85/1033586985.db2.gz VJNGXBIHLVXHKV-FXAWDEMLSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1ccc(C[C@@H](C)[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001173247915 1033618382 /nfs/dbraw/zinc/61/83/82/1033618382.db2.gz DDHXKLOXXIQYLB-IERDGZPVSA-N 2 2 308.469 3.566 20 0 DHADLP CCc1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001173247915 1033618384 /nfs/dbraw/zinc/61/83/84/1033618384.db2.gz DDHXKLOXXIQYLB-IERDGZPVSA-N 2 2 308.469 3.566 20 0 DHADLP C([C@H]1C[N@@H+]([C@H]2CCCC3(CCCCC3)C2)CCO1)[NH+]1CCCC1 ZINC001173348744 1033702878 /nfs/dbraw/zinc/70/28/78/1033702878.db2.gz LICQBTCYFASIND-OALUTQOASA-N 2 2 320.521 3.676 20 0 DHADLP C([C@H]1C[N@H+]([C@H]2CCCC3(CCCCC3)C2)CCO1)[NH+]1CCCC1 ZINC001173348744 1033702894 /nfs/dbraw/zinc/70/28/94/1033702894.db2.gz LICQBTCYFASIND-OALUTQOASA-N 2 2 320.521 3.676 20 0 DHADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CC[NH+]1CCCC1 ZINC001173552703 1033770871 /nfs/dbraw/zinc/77/08/71/1033770871.db2.gz YLSVNESRFNMSPS-CYBMUJFWSA-N 2 2 315.288 4.000 20 0 DHADLP C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000553760986 1033821455 /nfs/dbraw/zinc/82/14/55/1033821455.db2.gz KGOFDJGVSWFYPP-MSOLQXFVSA-N 2 2 315.505 3.508 20 0 DHADLP C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000553760986 1033821470 /nfs/dbraw/zinc/82/14/70/1033821470.db2.gz KGOFDJGVSWFYPP-MSOLQXFVSA-N 2 2 315.505 3.508 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924727403 1033890088 /nfs/dbraw/zinc/89/00/88/1033890088.db2.gz ADEIOHNSQKTBHT-LSDHHAIUSA-N 2 2 318.852 3.623 20 0 DHADLP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1ccccc1 ZINC000667553313 1033900877 /nfs/dbraw/zinc/90/08/77/1033900877.db2.gz MMSKGYIEJXEAFL-LJQANCHMSA-N 2 2 318.424 3.850 20 0 DHADLP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1ccccc1 ZINC000667553313 1033900889 /nfs/dbraw/zinc/90/08/89/1033900889.db2.gz MMSKGYIEJXEAFL-LJQANCHMSA-N 2 2 318.424 3.850 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(OC(F)F)cc1C ZINC000174317769 1033920521 /nfs/dbraw/zinc/92/05/21/1033920521.db2.gz MKTCEWIROUMGME-GFCCVEGCSA-N 2 2 323.387 3.527 20 0 DHADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000175010576 1033973100 /nfs/dbraw/zinc/97/31/00/1033973100.db2.gz MTXCSHMBDZDLBF-NWDGAFQWSA-N 2 2 318.433 3.698 20 0 DHADLP FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000176886414 1034117533 /nfs/dbraw/zinc/11/75/33/1034117533.db2.gz IEQAJUFWSXKXKN-CQSZACIVSA-N 2 2 309.335 3.647 20 0 DHADLP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000176886414 1034117536 /nfs/dbraw/zinc/11/75/36/1034117536.db2.gz IEQAJUFWSXKXKN-CQSZACIVSA-N 2 2 309.335 3.647 20 0 DHADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000863543178 1034124130 /nfs/dbraw/zinc/12/41/30/1034124130.db2.gz LNSQODOUSOVZEV-LEWSCRJBSA-N 2 2 300.418 3.792 20 0 DHADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000554373913 1034125546 /nfs/dbraw/zinc/12/55/46/1034125546.db2.gz OAJJNEAFIQEJOP-DUVNUKRYSA-N 2 2 314.395 3.881 20 0 DHADLP c1cn(Cc2cccc(-c3cccc(C[C@@H]4CC[NH2+]C4)c3)c2)c[nH+]1 ZINC000863690090 1034176421 /nfs/dbraw/zinc/17/64/21/1034176421.db2.gz JVUYSEDEHIOZFP-SFHVURJKSA-N 2 2 317.436 3.750 20 0 DHADLP C[C@H]1Cc2ccc(-c3cccc(Cn4cc[nH+]c4)c3)cc2C[NH2+]1 ZINC000863690439 1034179503 /nfs/dbraw/zinc/17/95/03/1034179503.db2.gz PYLHZCFLAHKVJH-HNNXBMFYSA-N 2 2 303.409 3.633 20 0 DHADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136288 1034221710 /nfs/dbraw/zinc/22/17/10/1034221710.db2.gz JLTRCTSOZFQLRJ-CVSAEHQPSA-N 2 2 304.400 3.524 20 0 DHADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136288 1034221713 /nfs/dbraw/zinc/22/17/13/1034221713.db2.gz JLTRCTSOZFQLRJ-CVSAEHQPSA-N 2 2 304.400 3.524 20 0 DHADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136288 1034221719 /nfs/dbraw/zinc/22/17/19/1034221719.db2.gz JLTRCTSOZFQLRJ-CVSAEHQPSA-N 2 2 304.400 3.524 20 0 DHADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136288 1034221724 /nfs/dbraw/zinc/22/17/24/1034221724.db2.gz JLTRCTSOZFQLRJ-CVSAEHQPSA-N 2 2 304.400 3.524 20 0 DHADLP CC([NH2+]CCCn1cc[nH+]c1)(c1ccccc1)c1ccccc1 ZINC000179670795 1034324205 /nfs/dbraw/zinc/32/42/05/1034324205.db2.gz MACKWXPBEKMGQV-UHFFFAOYSA-N 2 2 305.425 3.827 20 0 DHADLP COc1ccccc1[C@@H](CC(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000179676780 1034324856 /nfs/dbraw/zinc/32/48/56/1034324856.db2.gz NIOFDVIIYVHRNU-QGZVFWFLSA-N 2 2 301.434 3.659 20 0 DHADLP CC(C)Oc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000880472159 1034343905 /nfs/dbraw/zinc/34/39/05/1034343905.db2.gz FRTGQLVJMFNQLZ-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP COCc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000880570197 1034363037 /nfs/dbraw/zinc/36/30/37/1034363037.db2.gz UNTIVCQPJLGRTO-FQEVSTJZSA-N 2 2 321.424 3.561 20 0 DHADLP FC1(F)CC[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880568855 1034363580 /nfs/dbraw/zinc/36/35/80/1034363580.db2.gz FHUGACLHYBWODY-HOCLYGCPSA-N 2 2 305.372 3.649 20 0 DHADLP c1cc(N2CCCC2)c(Nc2ccc(N3CCCCC3)[nH+]c2)c[nH+]1 ZINC001174522535 1034480015 /nfs/dbraw/zinc/48/00/15/1034480015.db2.gz QUBJXAABCDRQFU-UHFFFAOYSA-N 2 2 323.444 3.811 20 0 DHADLP C[C@H]([NH2+]Cc1c(F)cccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769252 1034570799 /nfs/dbraw/zinc/57/07/99/1034570799.db2.gz TWQCQJZEYYKTBG-UONOGXRCSA-N 2 2 308.416 3.707 20 0 DHADLP C[C@H]([NH2+]Cc1c(F)cccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185769252 1034570805 /nfs/dbraw/zinc/57/08/05/1034570805.db2.gz TWQCQJZEYYKTBG-UONOGXRCSA-N 2 2 308.416 3.707 20 0 DHADLP c1cnc2c(c1)cccc2C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001137172060 1034712152 /nfs/dbraw/zinc/71/21/52/1034712152.db2.gz QKQNEWRCEFXHOB-UHFFFAOYSA-N 2 2 319.408 3.673 20 0 DHADLP c1cc(N2CCCCC2)c(Nc2ccc(N3CCCC3)[nH+]c2)c[nH+]1 ZINC001175347905 1034923090 /nfs/dbraw/zinc/92/30/90/1034923090.db2.gz XEKOZCYXBKKFHO-UHFFFAOYSA-N 2 2 323.444 3.811 20 0 DHADLP Cc1cnc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000645845605 1034930498 /nfs/dbraw/zinc/93/04/98/1034930498.db2.gz XWPUNGVXNYLMHP-KRWDZBQOSA-N 2 2 320.440 3.777 20 0 DHADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481925858 1035036149 /nfs/dbraw/zinc/03/61/49/1035036149.db2.gz MZNZLSDCGOIQRX-ZDUSSCGKSA-N 2 2 302.384 3.566 20 0 DHADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481925858 1035036157 /nfs/dbraw/zinc/03/61/57/1035036157.db2.gz MZNZLSDCGOIQRX-ZDUSSCGKSA-N 2 2 302.384 3.566 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000481928335 1035036739 /nfs/dbraw/zinc/03/67/39/1035036739.db2.gz RBDMRAUYTUHWKL-MLGOLLRUSA-N 2 2 314.395 3.566 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)[NH+](C)C ZINC000481932866 1035036994 /nfs/dbraw/zinc/03/69/94/1035036994.db2.gz PAFRKOYCXHCEKY-LBPRGKRZSA-N 2 2 302.384 3.566 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1C ZINC000481991721 1035043392 /nfs/dbraw/zinc/04/33/92/1035043392.db2.gz POJNYTGUYYABQL-BRWVUGGUSA-N 2 2 301.478 3.712 20 0 DHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000482133339 1035058913 /nfs/dbraw/zinc/05/89/13/1035058913.db2.gz JPWBCUMFACTPPP-CVEARBPZSA-N 2 2 315.461 3.818 20 0 DHADLP COc1cccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000158980339 1035115816 /nfs/dbraw/zinc/11/58/16/1035115816.db2.gz VIEXSWACWFOKAQ-INIZCTEOSA-N 2 2 321.424 3.774 20 0 DHADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000482620319 1035147621 /nfs/dbraw/zinc/14/76/21/1035147621.db2.gz ORIZIJQLCSDSMI-AZOIQLNYSA-N 2 2 302.437 3.666 20 0 DHADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000482620319 1035147625 /nfs/dbraw/zinc/14/76/25/1035147625.db2.gz ORIZIJQLCSDSMI-AZOIQLNYSA-N 2 2 302.437 3.666 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2OC)C[C@H]1C ZINC000482781051 1035179441 /nfs/dbraw/zinc/17/94/41/1035179441.db2.gz RLIZFXJCEMSFAI-CZUORRHYSA-N 2 2 310.869 3.653 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2OC)C[C@H]1C ZINC000482781051 1035179444 /nfs/dbraw/zinc/17/94/44/1035179444.db2.gz RLIZFXJCEMSFAI-CZUORRHYSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2OC)C[C@H]1C ZINC000482781051 1035179450 /nfs/dbraw/zinc/17/94/50/1035179450.db2.gz RLIZFXJCEMSFAI-CZUORRHYSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2OC)C[C@H]1C ZINC000482781051 1035179454 /nfs/dbraw/zinc/17/94/54/1035179454.db2.gz RLIZFXJCEMSFAI-CZUORRHYSA-N 2 2 310.869 3.653 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1 ZINC000467309251 1035183525 /nfs/dbraw/zinc/18/35/25/1035183525.db2.gz POMLHDUOGRBEIS-QYZOEREBSA-N 2 2 317.521 3.982 20 0 DHADLP Cc1cn2cccc(Nc3cccc(C[NH+]4CCCC4)c3)c2[nH+]1 ZINC001176194540 1035216829 /nfs/dbraw/zinc/21/68/29/1035216829.db2.gz IIMKVKHYPLRVAE-UHFFFAOYSA-N 2 2 306.413 3.982 20 0 DHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2c(C)oc3ccccc32)CC1 ZINC000924786519 1035272401 /nfs/dbraw/zinc/27/24/01/1035272401.db2.gz CTUNZBGPGJCWKR-CQSZACIVSA-N 2 2 316.445 3.503 20 0 DHADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000483827062 1035303310 /nfs/dbraw/zinc/30/33/10/1035303310.db2.gz WXBUDADLJZKJIZ-BZSNNMDCSA-N 2 2 301.478 3.667 20 0 DHADLP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000483827062 1035303315 /nfs/dbraw/zinc/30/33/15/1035303315.db2.gz WXBUDADLJZKJIZ-BZSNNMDCSA-N 2 2 301.478 3.667 20 0 DHADLP COc1ccccc1/C=C\C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001177425231 1035369792 /nfs/dbraw/zinc/36/97/92/1035369792.db2.gz QVUYRCGHUJSSQW-CNRGFGOASA-N 2 2 313.445 3.609 20 0 DHADLP Fc1c(Cl)cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001177566161 1035381320 /nfs/dbraw/zinc/38/13/20/1035381320.db2.gz PFIURORKWRZZMW-UHFFFAOYSA-N 2 2 315.779 3.955 20 0 DHADLP Cc1cc2c(cc1-c1cc(F)cc(Cn3cc[nH+]c3)c1)C[NH2+]CC2 ZINC000904797281 1035457869 /nfs/dbraw/zinc/45/78/69/1035457869.db2.gz WPVZUAGUARPYIV-UHFFFAOYSA-N 2 2 321.399 3.692 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001179147695 1035466422 /nfs/dbraw/zinc/46/64/22/1035466422.db2.gz JEKWAGWXYUQORN-DFQSSKMNSA-N 2 2 322.537 3.682 20 0 DHADLP c1cnc2cccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)c2c1 ZINC001179168824 1035468122 /nfs/dbraw/zinc/46/81/22/1035468122.db2.gz KKWIRZCCOGOOEW-GOSISDBHSA-N 2 2 309.457 3.731 20 0 DHADLP c1cnc2cccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)c2c1 ZINC001179168824 1035468124 /nfs/dbraw/zinc/46/81/24/1035468124.db2.gz KKWIRZCCOGOOEW-GOSISDBHSA-N 2 2 309.457 3.731 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256759 1035505105 /nfs/dbraw/zinc/50/51/05/1035505105.db2.gz YMYPSBKSTWXHTR-MRXNPFEDSA-N 2 2 317.864 3.571 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256759 1035505114 /nfs/dbraw/zinc/50/51/14/1035505114.db2.gz YMYPSBKSTWXHTR-MRXNPFEDSA-N 2 2 317.864 3.571 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000222911275 1035588446 /nfs/dbraw/zinc/58/84/46/1035588446.db2.gz SFXRBYQGYOCIFB-QWRGUYRKSA-N 2 2 317.246 3.579 20 0 DHADLP C[NH+](C)C1(C[NH2+]C2CCC(C)(c3ccccc3)CC2)CCC1 ZINC001180950572 1035797244 /nfs/dbraw/zinc/79/72/44/1035797244.db2.gz CHUVUPUALVCSQV-UHFFFAOYSA-N 2 2 300.490 3.961 20 0 DHADLP FC(F)(F)CCC[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC001181196781 1035864742 /nfs/dbraw/zinc/86/47/42/1035864742.db2.gz YDPHQMODTSYQAF-UHFFFAOYSA-N 2 2 306.416 3.965 20 0 DHADLP CCc1ccc([C@@H](C[NH2+]C[C@@H]2CCC=CO2)[NH+](CC)CC)cc1 ZINC001182109887 1036097706 /nfs/dbraw/zinc/09/77/06/1036097706.db2.gz UQVWKIOGEOZJSB-VQTJNVASSA-N 2 2 316.489 3.914 20 0 DHADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000540757359 1036148552 /nfs/dbraw/zinc/14/85/52/1036148552.db2.gz QCVCJUVJUKXWPR-LPHOPBHVSA-N 2 2 324.472 3.703 20 0 DHADLP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000494949483 1036148609 /nfs/dbraw/zinc/14/86/09/1036148609.db2.gz DOAZWRXFOVAOHV-QGZVFWFLSA-N 2 2 320.452 3.532 20 0 DHADLP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000494949483 1036148615 /nfs/dbraw/zinc/14/86/15/1036148615.db2.gz DOAZWRXFOVAOHV-QGZVFWFLSA-N 2 2 320.452 3.532 20 0 DHADLP CC[C@@H]1CCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540788011 1036157074 /nfs/dbraw/zinc/15/70/74/1036157074.db2.gz RWXODIOTWQNOPH-CRAIPNDOSA-N 2 2 316.493 3.603 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000494985915 1036165097 /nfs/dbraw/zinc/16/50/97/1036165097.db2.gz OBXMOMORJFLHNI-WMLDXEAASA-N 2 2 322.880 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000494985915 1036165101 /nfs/dbraw/zinc/16/51/01/1036165101.db2.gz OBXMOMORJFLHNI-WMLDXEAASA-N 2 2 322.880 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000494985915 1036165104 /nfs/dbraw/zinc/16/51/04/1036165104.db2.gz OBXMOMORJFLHNI-WMLDXEAASA-N 2 2 322.880 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000494985915 1036165105 /nfs/dbraw/zinc/16/51/05/1036165105.db2.gz OBXMOMORJFLHNI-WMLDXEAASA-N 2 2 322.880 3.655 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCOc3ccc4ccccc4c3)C2)[nH]1 ZINC000495020756 1036189364 /nfs/dbraw/zinc/18/93/64/1036189364.db2.gz SSYBRPSSISZABQ-SFHVURJKSA-N 2 2 321.424 3.821 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](CCOc3ccc4ccccc4c3)C2)[nH]1 ZINC000495020756 1036189370 /nfs/dbraw/zinc/18/93/70/1036189370.db2.gz SSYBRPSSISZABQ-SFHVURJKSA-N 2 2 321.424 3.821 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CCSC1 ZINC000464079042 1036265680 /nfs/dbraw/zinc/26/56/80/1036265680.db2.gz SZJZBTHLIHLULX-SCTDSRPQSA-N 2 2 318.530 3.596 20 0 DHADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001182633495 1036403276 /nfs/dbraw/zinc/40/32/76/1036403276.db2.gz BGZXCGDINGCLKC-MNEFBYGVSA-N 2 2 312.457 3.970 20 0 DHADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001182633495 1036403285 /nfs/dbraw/zinc/40/32/85/1036403285.db2.gz BGZXCGDINGCLKC-MNEFBYGVSA-N 2 2 312.457 3.970 20 0 DHADLP Fc1ccc(CCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC001182634772 1036404177 /nfs/dbraw/zinc/40/41/77/1036404177.db2.gz OSJFTLSGNSXYFS-ROUUACIJSA-N 2 2 308.416 3.504 20 0 DHADLP Fc1ccc(CCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC001182634772 1036404192 /nfs/dbraw/zinc/40/41/92/1036404192.db2.gz OSJFTLSGNSXYFS-ROUUACIJSA-N 2 2 308.416 3.504 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000629546668 1036438244 /nfs/dbraw/zinc/43/82/44/1036438244.db2.gz VWUAZFKNKVEIKN-GLQYFDAESA-N 2 2 300.368 3.743 20 0 DHADLP CC[C@H]1CCCC[C@H]1C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC001183179255 1036533977 /nfs/dbraw/zinc/53/39/77/1036533977.db2.gz CVJRIQXIDGVLCU-OALUTQOASA-N 2 2 322.537 3.780 20 0 DHADLP COc1c(Cl)cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1Cl ZINC001205265184 1036581966 /nfs/dbraw/zinc/58/19/66/1036581966.db2.gz OBRQOWUJSFCIIG-HNNXBMFYSA-N 2 2 317.260 3.705 20 0 DHADLP COc1c(Cl)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1Cl ZINC001205265184 1036581980 /nfs/dbraw/zinc/58/19/80/1036581980.db2.gz OBRQOWUJSFCIIG-HNNXBMFYSA-N 2 2 317.260 3.705 20 0 DHADLP C[NH+]1C[C@@]2(C)C[NH+](CCCc3ccccc3Cl)C[C@]2(C)C1 ZINC001196632045 1036583680 /nfs/dbraw/zinc/58/36/80/1036583680.db2.gz LMTYUCXSVUWBEV-ROUUACIJSA-N 2 2 306.881 3.546 20 0 DHADLP CCNc1ccccc1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001183687332 1036648788 /nfs/dbraw/zinc/64/87/88/1036648788.db2.gz XNLYMLPMRCEJTG-UHFFFAOYSA-N 2 2 315.505 3.959 20 0 DHADLP Cn1c2ccccc2[nH+]c1NC1CCC([NH+]2CCCCC2)CC1 ZINC000762539432 1036819513 /nfs/dbraw/zinc/81/95/13/1036819513.db2.gz AYADAPFSNBUCOF-UHFFFAOYSA-N 2 2 312.461 3.782 20 0 DHADLP Fc1ccc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)[nH]c2c1 ZINC000488350412 1036975529 /nfs/dbraw/zinc/97/55/29/1036975529.db2.gz LGGHRABPEXFBCV-OAHLLOKOSA-N 2 2 315.436 3.615 20 0 DHADLP Fc1ccc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)[nH]c2c1 ZINC000488350412 1036975548 /nfs/dbraw/zinc/97/55/48/1036975548.db2.gz LGGHRABPEXFBCV-OAHLLOKOSA-N 2 2 315.436 3.615 20 0 DHADLP C[NH+](C)CCc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001184963831 1036978554 /nfs/dbraw/zinc/97/85/54/1036978554.db2.gz BMXCXKLKMKPBJO-UHFFFAOYSA-N 2 2 310.445 3.530 20 0 DHADLP Cc1cc(Cl)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205318477 1036985242 /nfs/dbraw/zinc/98/52/42/1036985242.db2.gz UXKLXYPFQANSSN-NWDGAFQWSA-N 2 2 301.261 3.719 20 0 DHADLP Cc1cc(Cl)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205318477 1036985249 /nfs/dbraw/zinc/98/52/49/1036985249.db2.gz UXKLXYPFQANSSN-NWDGAFQWSA-N 2 2 301.261 3.719 20 0 DHADLP Cc1cc(Cl)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205318479 1036985893 /nfs/dbraw/zinc/98/58/93/1036985893.db2.gz UXKLXYPFQANSSN-VXGBXAGGSA-N 2 2 301.261 3.719 20 0 DHADLP Cc1cc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC001205318479 1036985914 /nfs/dbraw/zinc/98/59/14/1036985914.db2.gz UXKLXYPFQANSSN-VXGBXAGGSA-N 2 2 301.261 3.719 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000237227962 1036996819 /nfs/dbraw/zinc/99/68/19/1036996819.db2.gz SXHMDQQQAHCSQJ-WMZOPIPTSA-N 2 2 306.494 3.582 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CS1 ZINC000488440158 1037021796 /nfs/dbraw/zinc/02/17/96/1037021796.db2.gz PSVXLHBDKIJIGM-YOEHRIQHSA-N 2 2 319.449 3.631 20 0 DHADLP Clc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)o1 ZINC000488512725 1037052192 /nfs/dbraw/zinc/05/21/92/1037052192.db2.gz IFGGFVMWACOWBV-INIZCTEOSA-N 2 2 318.848 3.587 20 0 DHADLP Clc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000488512725 1037052217 /nfs/dbraw/zinc/05/22/17/1037052217.db2.gz IFGGFVMWACOWBV-INIZCTEOSA-N 2 2 318.848 3.587 20 0 DHADLP Cc1cc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c2ccccc2n1 ZINC001198767308 1037129530 /nfs/dbraw/zinc/12/95/30/1037129530.db2.gz AIGJGVKTUAPEKL-UHFFFAOYSA-N 2 2 320.440 3.656 20 0 DHADLP Clc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1-c1ccccc1 ZINC001198943030 1037169044 /nfs/dbraw/zinc/16/90/44/1037169044.db2.gz PNYYGIDJVNNLPO-UHFFFAOYSA-N 2 2 311.816 3.993 20 0 DHADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)oc21 ZINC000317086881 1037178348 /nfs/dbraw/zinc/17/83/48/1037178348.db2.gz ANQYOXZLKVLWRD-YDHLFZDLSA-N 2 2 302.418 3.575 20 0 DHADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)oc21 ZINC000317086881 1037178354 /nfs/dbraw/zinc/17/83/54/1037178354.db2.gz ANQYOXZLKVLWRD-YDHLFZDLSA-N 2 2 302.418 3.575 20 0 DHADLP Cc1cc(N[C@H](C)C[N@H+](C)Cc2ccccc2)nc(C2CCC2)[nH+]1 ZINC001186620622 1037452725 /nfs/dbraw/zinc/45/27/25/1037452725.db2.gz NVEUMFVEZLBLBX-MRXNPFEDSA-N 2 2 324.472 3.985 20 0 DHADLP Cc1cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)nc(C2CCC2)[nH+]1 ZINC001186620622 1037452733 /nfs/dbraw/zinc/45/27/33/1037452733.db2.gz NVEUMFVEZLBLBX-MRXNPFEDSA-N 2 2 324.472 3.985 20 0 DHADLP C[C@]1(C[NH2+]Cc2ccsc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397881542 1037547780 /nfs/dbraw/zinc/54/77/80/1037547780.db2.gz NAWPGFDGZMHEEU-GOSISDBHSA-N 2 2 300.471 3.892 20 0 DHADLP C[C@]1(C[NH2+]Cc2ccsc2)CCC[N@H+]1Cc1ccccc1 ZINC000397881542 1037547799 /nfs/dbraw/zinc/54/77/99/1037547799.db2.gz NAWPGFDGZMHEEU-GOSISDBHSA-N 2 2 300.471 3.892 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(Cl)c1Cl ZINC001205913015 1037571089 /nfs/dbraw/zinc/57/10/89/1037571089.db2.gz GBWUODFMFNFKRL-NEPJUHHUSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(Cl)c1Cl ZINC001205913015 1037571097 /nfs/dbraw/zinc/57/10/97/1037571097.db2.gz GBWUODFMFNFKRL-NEPJUHHUSA-N 2 2 301.261 3.861 20 0 DHADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001205914158 1037577587 /nfs/dbraw/zinc/57/75/87/1037577587.db2.gz LHFHELSJPQMATD-UWVGGRQHSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001205914158 1037577591 /nfs/dbraw/zinc/57/75/91/1037577591.db2.gz LHFHELSJPQMATD-UWVGGRQHSA-N 2 2 322.321 3.543 20 0 DHADLP CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000152836637 1037609776 /nfs/dbraw/zinc/60/97/76/1037609776.db2.gz PHBMJBHXMZQIOQ-HZPDHXFCSA-N 2 2 303.494 3.746 20 0 DHADLP Cc1cc(Cl)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205916214 1037611486 /nfs/dbraw/zinc/61/14/86/1037611486.db2.gz SVKHZWJIKJOSLN-VXGBXAGGSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1cc(Cl)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Cl)c1 ZINC001205916214 1037611497 /nfs/dbraw/zinc/61/14/97/1037611497.db2.gz SVKHZWJIKJOSLN-VXGBXAGGSA-N 2 2 301.261 3.861 20 0 DHADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](CC4CCCCC4)CC[C@@H]32)n1 ZINC001201393775 1037627430 /nfs/dbraw/zinc/62/74/30/1037627430.db2.gz NKKHXJWIKQBQSG-IRXDYDNUSA-N 2 2 319.518 3.620 20 0 DHADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCCCC4)CC[C@@H]32)n1 ZINC001201393775 1037627437 /nfs/dbraw/zinc/62/74/37/1037627437.db2.gz NKKHXJWIKQBQSG-IRXDYDNUSA-N 2 2 319.518 3.620 20 0 DHADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](CC4CCCCC4)CC[C@@H]32)n1 ZINC001201393775 1037627444 /nfs/dbraw/zinc/62/74/44/1037627444.db2.gz NKKHXJWIKQBQSG-IRXDYDNUSA-N 2 2 319.518 3.620 20 0 DHADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCCCC4)CC[C@@H]32)n1 ZINC001201393775 1037627451 /nfs/dbraw/zinc/62/74/51/1037627451.db2.gz NKKHXJWIKQBQSG-IRXDYDNUSA-N 2 2 319.518 3.620 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCS[C@H](C)CC1 ZINC000494058387 1037632210 /nfs/dbraw/zinc/63/22/10/1037632210.db2.gz FWRWKQSIGWHDQC-OAHLLOKOSA-N 2 2 301.459 3.508 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCS[C@H](C)CC1 ZINC000494058387 1037632215 /nfs/dbraw/zinc/63/22/15/1037632215.db2.gz FWRWKQSIGWHDQC-OAHLLOKOSA-N 2 2 301.459 3.508 20 0 DHADLP CCCc1csc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000494193281 1037674983 /nfs/dbraw/zinc/67/49/83/1037674983.db2.gz YANADJPJUTXZES-UHFFFAOYSA-N 2 2 321.465 3.586 20 0 DHADLP Cc1nc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)sc1C ZINC000153904393 1037711402 /nfs/dbraw/zinc/71/14/02/1037711402.db2.gz OSFDCPZPHPWCKK-UHFFFAOYSA-N 2 2 321.534 3.894 20 0 DHADLP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201560156 1037776564 /nfs/dbraw/zinc/77/65/64/1037776564.db2.gz QGIYQQMPIKMCTP-QRVBRYPASA-N 2 2 315.505 3.662 20 0 DHADLP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201560156 1037776578 /nfs/dbraw/zinc/77/65/78/1037776578.db2.gz QGIYQQMPIKMCTP-QRVBRYPASA-N 2 2 315.505 3.662 20 0 DHADLP CCCC[C@@H](CC)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201560156 1037776597 /nfs/dbraw/zinc/77/65/97/1037776597.db2.gz QGIYQQMPIKMCTP-QRVBRYPASA-N 2 2 315.505 3.662 20 0 DHADLP CCCC[C@@H](CC)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201560156 1037776618 /nfs/dbraw/zinc/77/66/18/1037776618.db2.gz QGIYQQMPIKMCTP-QRVBRYPASA-N 2 2 315.505 3.662 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCCc2ccccc2)C1 ZINC000187368110 1037962335 /nfs/dbraw/zinc/96/23/35/1037962335.db2.gz KVYSRRDNXNQNIK-IBGZPJMESA-N 2 2 311.473 3.698 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000187368110 1037962352 /nfs/dbraw/zinc/96/23/52/1037962352.db2.gz KVYSRRDNXNQNIK-IBGZPJMESA-N 2 2 311.473 3.698 20 0 DHADLP Cc1ccc(-c2cccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000494415014 1038092192 /nfs/dbraw/zinc/09/21/92/1038092192.db2.gz QKOREXHJXAHBCE-FQEVSTJZSA-N 2 2 317.436 3.963 20 0 DHADLP Fc1cccc(C2CC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)c1 ZINC000571968720 1038284480 /nfs/dbraw/zinc/28/44/80/1038284480.db2.gz DSXOVXRALDFPKE-KVWWFHCMSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1cccc(C2CC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)c1 ZINC000571968720 1038284489 /nfs/dbraw/zinc/28/44/89/1038284489.db2.gz DSXOVXRALDFPKE-KVWWFHCMSA-N 2 2 302.437 3.678 20 0 DHADLP CCCOc1ccc2c(c1)CC[N@@H+](CCC[NH+](CC)CC)C2 ZINC001192379841 1038642753 /nfs/dbraw/zinc/64/27/53/1038642753.db2.gz ISTVSCKSPFTHTM-UHFFFAOYSA-N 2 2 304.478 3.565 20 0 DHADLP CCCOc1ccc2c(c1)CC[N@H+](CCC[NH+](CC)CC)C2 ZINC001192379841 1038642759 /nfs/dbraw/zinc/64/27/59/1038642759.db2.gz ISTVSCKSPFTHTM-UHFFFAOYSA-N 2 2 304.478 3.565 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)c2ccccc21 ZINC000573197597 1038822101 /nfs/dbraw/zinc/82/21/01/1038822101.db2.gz LOFFOPDXQOOPCP-MOPGFXCFSA-N 2 2 323.440 3.637 20 0 DHADLP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000573693492 1039070490 /nfs/dbraw/zinc/07/04/90/1039070490.db2.gz XGSCIKFSUWAXMW-QGZVFWFLSA-N 2 2 321.399 3.863 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573921207 1039105266 /nfs/dbraw/zinc/10/52/66/1039105266.db2.gz MSBLGXUCGDFDDA-CJNGLKHVSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573921207 1039105268 /nfs/dbraw/zinc/10/52/68/1039105268.db2.gz MSBLGXUCGDFDDA-CJNGLKHVSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694839 1039132436 /nfs/dbraw/zinc/13/24/36/1039132436.db2.gz JUXCCVPGRSXTCU-WBVHZDCISA-N 2 2 310.445 3.555 20 0 DHADLP C[C@H](c1ccncc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694839 1039132443 /nfs/dbraw/zinc/13/24/43/1039132443.db2.gz JUXCCVPGRSXTCU-WBVHZDCISA-N 2 2 310.445 3.555 20 0 DHADLP C1CC([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCCC2)C1 ZINC000655779363 1039819869 /nfs/dbraw/zinc/81/98/69/1039819869.db2.gz JOPHOUUBPOLAAX-WOJBJXKFSA-N 2 2 320.521 3.578 20 0 DHADLP Cn1c(CCC[NH2+]Cc2c(F)cccc2F)[nH+]c2ccccc21 ZINC000076901166 185052907 /nfs/dbraw/zinc/05/29/07/185052907.db2.gz NIZTWAAEBPOAQH-UHFFFAOYSA-N 2 2 315.367 3.574 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc(Br)cs2)c2ccccc21 ZINC000132124584 334938866 /nfs/dbraw/zinc/93/88/66/334938866.db2.gz YWAKVZMKXNNCCE-UONOGXRCSA-N 2 2 323.259 3.745 20 0 DHADLP FC(F)(F)c1cccc(C2([NH2+]CCCn3cc[nH+]c3)CC2)c1 ZINC000343297137 334959542 /nfs/dbraw/zinc/95/95/42/334959542.db2.gz BEIZHBSRBZYCBH-UHFFFAOYSA-N 2 2 309.335 3.571 20 0 DHADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000080968919 192206863 /nfs/dbraw/zinc/20/68/63/192206863.db2.gz OFMUZLCFBHFHDG-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000080968919 192206865 /nfs/dbraw/zinc/20/68/65/192206865.db2.gz OFMUZLCFBHFHDG-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP CSc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000563789868 335014689 /nfs/dbraw/zinc/01/46/89/335014689.db2.gz AQMHUEGIQBIJLQ-CQSZACIVSA-N 2 2 310.532 3.778 20 0 DHADLP CSc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000563789868 335014690 /nfs/dbraw/zinc/01/46/90/335014690.db2.gz AQMHUEGIQBIJLQ-CQSZACIVSA-N 2 2 310.532 3.778 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccc1Br ZINC000019905788 182163192 /nfs/dbraw/zinc/16/31/92/182163192.db2.gz HDPSYSPASUOFEM-LBPRGKRZSA-N 2 2 313.283 3.688 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019960875 182170837 /nfs/dbraw/zinc/17/08/37/182170837.db2.gz WDXSCMXDMFWRDR-WFASDCNBSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019960875 182170839 /nfs/dbraw/zinc/17/08/39/182170839.db2.gz WDXSCMXDMFWRDR-WFASDCNBSA-N 2 2 300.368 3.840 20 0 DHADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000021501861 182274790 /nfs/dbraw/zinc/27/47/90/182274790.db2.gz BVOCLTXKLIODGE-UHFFFAOYSA-N 2 2 301.261 3.956 20 0 DHADLP Cc1cccn2cc(COc3ccc(C[NH2+]CC4CC4)cc3)[nH+]c12 ZINC000063313135 335050044 /nfs/dbraw/zinc/05/00/44/335050044.db2.gz NUROKPDKCCXFMN-UHFFFAOYSA-N 2 2 321.424 3.721 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCc2ccccc2)CC1 ZINC000272655121 130050287 /nfs/dbraw/zinc/05/02/87/130050287.db2.gz FXXQJZQQQKLCQH-UHFFFAOYSA-N 2 2 314.395 3.626 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C(Cl)=C/Cl ZINC000274848193 130267329 /nfs/dbraw/zinc/26/73/29/130267329.db2.gz QKHJLZUHGABTDR-NFVJRJMQSA-N 2 2 313.272 3.806 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C(Cl)=C/Cl ZINC000274848193 130267330 /nfs/dbraw/zinc/26/73/30/130267330.db2.gz QKHJLZUHGABTDR-NFVJRJMQSA-N 2 2 313.272 3.806 20 0 DHADLP Cc1ccc2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)ccc2n1 ZINC000275712911 130369346 /nfs/dbraw/zinc/36/93/46/130369346.db2.gz MOPIZDFDKIYTIM-UHFFFAOYSA-N 2 2 306.413 3.646 20 0 DHADLP c1cc2cc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)ccc2o1 ZINC000285399362 131164152 /nfs/dbraw/zinc/16/41/52/131164152.db2.gz ICBUHLLUMPNTSO-UHFFFAOYSA-N 2 2 321.424 3.582 20 0 DHADLP Cc1cccc(CCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000286381060 131233798 /nfs/dbraw/zinc/23/37/98/131233798.db2.gz APMAGOCHBQFCNS-KRWDZBQOSA-N 2 2 320.440 3.859 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340227256 131234029 /nfs/dbraw/zinc/23/40/29/131234029.db2.gz WZEOLQHFLCUHIX-BHYGNILZSA-N 2 2 315.486 3.938 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340227256 131234030 /nfs/dbraw/zinc/23/40/30/131234030.db2.gz WZEOLQHFLCUHIX-BHYGNILZSA-N 2 2 315.486 3.938 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000286861408 131252541 /nfs/dbraw/zinc/25/25/41/131252541.db2.gz BBNVWBBOOWQDGA-HUUCEWRRSA-N 2 2 301.459 3.666 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289232959 131368073 /nfs/dbraw/zinc/36/80/73/131368073.db2.gz DCYWLIZDHZHUOS-XYPWUTKMSA-N 2 2 324.415 3.653 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289232959 131368074 /nfs/dbraw/zinc/36/80/74/131368074.db2.gz DCYWLIZDHZHUOS-XYPWUTKMSA-N 2 2 324.415 3.653 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000289232959 131368076 /nfs/dbraw/zinc/36/80/76/131368076.db2.gz DCYWLIZDHZHUOS-XYPWUTKMSA-N 2 2 324.415 3.653 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000289232959 131368078 /nfs/dbraw/zinc/36/80/78/131368078.db2.gz DCYWLIZDHZHUOS-XYPWUTKMSA-N 2 2 324.415 3.653 20 0 DHADLP Cn1c[nH+]cc1CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000289250417 131368778 /nfs/dbraw/zinc/36/87/78/131368778.db2.gz BKFPGEPNIOSBBL-UHFFFAOYSA-N 2 2 303.409 3.645 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@H](C)c3ccccc32)cn1 ZINC000289244190 131368854 /nfs/dbraw/zinc/36/88/54/131368854.db2.gz NAFITWVOJHTJNC-LIRRHRJNSA-N 2 2 318.424 3.914 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000289499559 131391463 /nfs/dbraw/zinc/39/14/63/131391463.db2.gz DIWSOKRNAOMYGV-UHFFFAOYSA-N 2 2 323.362 3.646 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000289499559 131391465 /nfs/dbraw/zinc/39/14/65/131391465.db2.gz DIWSOKRNAOMYGV-UHFFFAOYSA-N 2 2 323.362 3.646 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000289568384 131397090 /nfs/dbraw/zinc/39/70/90/131397090.db2.gz HFJIYNHWJPLKJG-PXNSSMCTSA-N 2 2 311.473 3.604 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccn2)c1 ZINC000297289769 132007535 /nfs/dbraw/zinc/00/75/35/132007535.db2.gz AKOQKIQCRKEQBH-OAQYLSRUSA-N 2 2 321.468 3.696 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000040600150 132144489 /nfs/dbraw/zinc/14/44/89/132144489.db2.gz GDMKWJPSUFYGKG-GFCCVEGCSA-N 2 2 308.878 3.986 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000040600150 132144491 /nfs/dbraw/zinc/14/44/91/132144491.db2.gz GDMKWJPSUFYGKG-GFCCVEGCSA-N 2 2 308.878 3.986 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000121724219 132159209 /nfs/dbraw/zinc/15/92/09/132159209.db2.gz XTZKLHIYYRRNEI-QGZVFWFLSA-N 2 2 312.457 3.946 20 0 DHADLP c1cc2c(cccc2C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000299739065 229372632 /nfs/dbraw/zinc/37/26/32/229372632.db2.gz JZVIZLCCCISLPU-MRXNPFEDSA-N 2 2 320.440 3.690 20 0 DHADLP c1cc2c(cccc2C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000299739065 229372634 /nfs/dbraw/zinc/37/26/34/229372634.db2.gz JZVIZLCCCISLPU-MRXNPFEDSA-N 2 2 320.440 3.690 20 0 DHADLP Fc1ccc2c(cc[nH+]c2NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000516764691 429383988 /nfs/dbraw/zinc/38/39/88/429383988.db2.gz JJDNKQUNDUJLHW-UHFFFAOYSA-N 2 2 310.376 3.561 20 0 DHADLP C[C@@H]1C[N@@H+](CCCCNc2[nH+]ccc3ccccc32)C[C@H](C)O1 ZINC000527916613 429819784 /nfs/dbraw/zinc/81/97/84/429819784.db2.gz JCUNGYCSWJOAOF-IYBDPMFKSA-N 2 2 313.445 3.536 20 0 DHADLP C[C@@H]1C[N@H+](CCCCNc2[nH+]ccc3ccccc32)C[C@H](C)O1 ZINC000527916613 429819787 /nfs/dbraw/zinc/81/97/87/429819787.db2.gz JCUNGYCSWJOAOF-IYBDPMFKSA-N 2 2 313.445 3.536 20 0 DHADLP Cc1nc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc[nH+]1 ZINC000525707402 435007637 /nfs/dbraw/zinc/00/76/37/435007637.db2.gz PTHLKTCOCQYYLB-INIZCTEOSA-N 2 2 316.836 3.687 20 0 DHADLP CCc1cc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nc[nH+]1 ZINC000603381014 435335078 /nfs/dbraw/zinc/33/50/78/435335078.db2.gz FKTTVLGROCSDFT-INIZCTEOSA-N 2 2 324.472 3.883 20 0 DHADLP CCc1cc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)nc[nH+]1 ZINC000603381014 435335082 /nfs/dbraw/zinc/33/50/82/435335082.db2.gz FKTTVLGROCSDFT-INIZCTEOSA-N 2 2 324.472 3.883 20 0 DHADLP CC(C)c1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000536390473 435381711 /nfs/dbraw/zinc/38/17/11/435381711.db2.gz JPTPTDSBNDSATJ-HNNXBMFYSA-N 2 2 304.482 3.866 20 0 DHADLP CC(C)c1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000536390473 435381715 /nfs/dbraw/zinc/38/17/15/435381715.db2.gz JPTPTDSBNDSATJ-HNNXBMFYSA-N 2 2 304.482 3.866 20 0 DHADLP C[C@@H](CC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)[NH+]1CCCCC1 ZINC000570651115 332792966 /nfs/dbraw/zinc/79/29/66/332792966.db2.gz YKKUPQUODOZVFM-WMZOPIPTSA-N 2 2 318.509 3.885 20 0 DHADLP CCC[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000063312767 331549495 /nfs/dbraw/zinc/54/94/95/331549495.db2.gz RXIDXCOEYVNVFJ-UHFFFAOYSA-N 2 2 309.413 3.721 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000558105442 331877028 /nfs/dbraw/zinc/87/70/28/331877028.db2.gz ZUJNJAMSXYHALZ-MQJVFOOVSA-N 2 2 323.362 3.984 20 0 DHADLP CC1(C)CCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000559351102 332061227 /nfs/dbraw/zinc/06/12/27/332061227.db2.gz DJUPYANUZRFSQT-ZDUSSCGKSA-N 2 2 306.416 3.819 20 0 DHADLP Clc1cccc(Cl)c1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427100836 332167666 /nfs/dbraw/zinc/16/76/66/332167666.db2.gz OIQWGZAUHZYGIH-MLGOLLRUSA-N 2 2 313.272 3.610 20 0 DHADLP Clc1cccc(Cl)c1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427100836 332167668 /nfs/dbraw/zinc/16/76/68/332167668.db2.gz OIQWGZAUHZYGIH-MLGOLLRUSA-N 2 2 313.272 3.610 20 0 DHADLP CSc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000584291610 332220304 /nfs/dbraw/zinc/22/03/04/332220304.db2.gz YJIUHCJHFJPNMQ-XJKSGUPXSA-N 2 2 313.470 3.656 20 0 DHADLP CSc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000584291610 332220305 /nfs/dbraw/zinc/22/03/05/332220305.db2.gz YJIUHCJHFJPNMQ-XJKSGUPXSA-N 2 2 313.470 3.656 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000536499168 332253142 /nfs/dbraw/zinc/25/31/42/332253142.db2.gz VWNLMZXRZGNUHW-SQNIBIBYSA-N 2 2 304.865 3.934 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000536499168 332253143 /nfs/dbraw/zinc/25/31/43/332253143.db2.gz VWNLMZXRZGNUHW-SQNIBIBYSA-N 2 2 304.865 3.934 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)C[N@@H+]1C1CC1 ZINC000536495341 332253507 /nfs/dbraw/zinc/25/35/07/332253507.db2.gz AQPHAFZGXBGUBX-CDHAZOANSA-N 2 2 304.865 3.932 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)C[N@H+]1C1CC1 ZINC000536495341 332253510 /nfs/dbraw/zinc/25/35/10/332253510.db2.gz AQPHAFZGXBGUBX-CDHAZOANSA-N 2 2 304.865 3.932 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(CC(C)C)s1)CCC2 ZINC000370859883 332270922 /nfs/dbraw/zinc/27/09/22/332270922.db2.gz GMJQEEMLHUAARY-AWEZNQCLSA-N 2 2 318.490 3.514 20 0 DHADLP Cc1ccc(OCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000537974187 332271665 /nfs/dbraw/zinc/27/16/65/332271665.db2.gz QCLMTZUHXJLWDJ-KRWDZBQOSA-N 2 2 321.424 3.910 20 0 DHADLP Cc1ccc(OCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000537974188 332271969 /nfs/dbraw/zinc/27/19/69/332271969.db2.gz QCLMTZUHXJLWDJ-QGZVFWFLSA-N 2 2 321.424 3.910 20 0 DHADLP Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2cn3ccccc3[nH+]2)c1 ZINC000559911475 332293203 /nfs/dbraw/zinc/29/32/03/332293203.db2.gz MDBURFMYRBWATI-HNNXBMFYSA-N 2 2 308.429 3.877 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccsc2C(F)(F)F)CC[N@@H+]1C ZINC000529527899 335099885 /nfs/dbraw/zinc/09/98/85/335099885.db2.gz GNNYKIRBQHYRJF-JQWIXIFHSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccsc2C(F)(F)F)CC[N@H+]1C ZINC000529527899 335099887 /nfs/dbraw/zinc/09/98/87/335099887.db2.gz GNNYKIRBQHYRJF-JQWIXIFHSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccsc2C(F)(F)F)CC[NH+]1C ZINC000529527899 335099888 /nfs/dbraw/zinc/09/98/88/335099888.db2.gz GNNYKIRBQHYRJF-JQWIXIFHSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)CC[NH+]1C ZINC000529527899 335099890 /nfs/dbraw/zinc/09/98/90/335099890.db2.gz GNNYKIRBQHYRJF-JQWIXIFHSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000560264996 332326416 /nfs/dbraw/zinc/32/64/16/332326416.db2.gz LNQXCEKLYCFOAZ-YWZLYKJASA-N 2 2 314.473 3.580 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000560264996 332326418 /nfs/dbraw/zinc/32/64/18/332326418.db2.gz LNQXCEKLYCFOAZ-YWZLYKJASA-N 2 2 314.473 3.580 20 0 DHADLP Cn1c2ccccc2[nH+]c1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000427513273 332441464 /nfs/dbraw/zinc/44/14/64/332441464.db2.gz FCQFBOVABVRLTE-GOSISDBHSA-N 2 2 320.440 3.822 20 0 DHADLP CC[N@H+](Cc1ccc(C(=O)Nc2c(C)cc[nH+]c2C)cc1)C1CC1 ZINC000425584571 335106900 /nfs/dbraw/zinc/10/69/00/335106900.db2.gz DNEYAFCORIMHGZ-UHFFFAOYSA-N 2 2 323.440 3.935 20 0 DHADLP CC[N@@H+](Cc1ccc(C(=O)Nc2c(C)cc[nH+]c2C)cc1)C1CC1 ZINC000425584571 335106901 /nfs/dbraw/zinc/10/69/01/335106901.db2.gz DNEYAFCORIMHGZ-UHFFFAOYSA-N 2 2 323.440 3.935 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1Br ZINC000561949476 332520807 /nfs/dbraw/zinc/52/08/07/332520807.db2.gz WKCMXILGUFASEQ-UHFFFAOYSA-N 2 2 319.246 3.875 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccncc2)cc1 ZINC000427838557 332536119 /nfs/dbraw/zinc/53/61/19/332536119.db2.gz BSJANAVAAJYUEG-BEFAXECRSA-N 2 2 318.424 3.611 20 0 DHADLP Fc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCCC2)cc1 ZINC000427850858 332539900 /nfs/dbraw/zinc/53/99/00/332539900.db2.gz QKENWKKEAROXSW-IEBWSBKVSA-N 2 2 313.420 3.858 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000427855255 332543642 /nfs/dbraw/zinc/54/36/42/332543642.db2.gz CJYSDUHWINZJRE-ZYHUDNBSSA-N 2 2 310.228 3.856 20 0 DHADLP Fc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427891662 332556729 /nfs/dbraw/zinc/55/67/29/332556729.db2.gz LUKFIFNYUTXXNK-ICSRJNTNSA-N 2 2 321.399 3.716 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000427894067 332556872 /nfs/dbraw/zinc/55/68/72/332556872.db2.gz QAEMETOFRCPTOA-FZMZJTMJSA-N 2 2 309.335 3.568 20 0 DHADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ncoc1-c1ccccc1 ZINC000563880538 335114455 /nfs/dbraw/zinc/11/44/55/335114455.db2.gz RPOGTBOLOHKTJB-NVXWUHKLSA-N 2 2 313.445 3.742 20 0 DHADLP Cc1ccc(CCC[N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000580714996 333001536 /nfs/dbraw/zinc/00/15/36/333001536.db2.gz LJBFXZCPAAAEIP-OAQYLSRUSA-N 3 2 323.484 3.577 20 0 DHADLP Cc1ccc(CCC[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000580714996 333001537 /nfs/dbraw/zinc/00/15/37/333001537.db2.gz LJBFXZCPAAAEIP-OAQYLSRUSA-N 3 2 323.484 3.577 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000580307452 333086896 /nfs/dbraw/zinc/08/68/96/333086896.db2.gz RQJOQLMOSLRSPF-QGZVFWFLSA-N 2 2 305.381 3.596 20 0 DHADLP COCc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000310259077 333230105 /nfs/dbraw/zinc/23/01/05/333230105.db2.gz YZQPQTCUVZEUPF-UWJYYQICSA-N 2 2 324.468 3.586 20 0 DHADLP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000310259077 333230106 /nfs/dbraw/zinc/23/01/06/333230106.db2.gz YZQPQTCUVZEUPF-UWJYYQICSA-N 2 2 324.468 3.586 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000120493158 333285534 /nfs/dbraw/zinc/28/55/34/333285534.db2.gz FROPWGIHROGETB-GFCCVEGCSA-N 2 2 313.323 3.523 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000390589074 333304135 /nfs/dbraw/zinc/30/41/35/333304135.db2.gz PTJYYYWXHZNXGM-IRXDYDNUSA-N 2 2 312.457 3.866 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000390589074 333304136 /nfs/dbraw/zinc/30/41/36/333304136.db2.gz PTJYYYWXHZNXGM-IRXDYDNUSA-N 2 2 312.457 3.866 20 0 DHADLP CCOc1cccc(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000390589941 333304621 /nfs/dbraw/zinc/30/46/21/333304621.db2.gz QGLMUSQFNNFRCX-QGZVFWFLSA-N 2 2 312.457 3.695 20 0 DHADLP CCOc1cccc(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000390589941 333304622 /nfs/dbraw/zinc/30/46/22/333304622.db2.gz QGLMUSQFNNFRCX-QGZVFWFLSA-N 2 2 312.457 3.695 20 0 DHADLP CC(C)Oc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1Cl ZINC000188166555 333306915 /nfs/dbraw/zinc/30/69/15/333306915.db2.gz LDSOCBORIZKKDC-UHFFFAOYSA-N 2 2 321.852 3.846 20 0 DHADLP CC(C)Oc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1Cl ZINC000188166555 333306917 /nfs/dbraw/zinc/30/69/17/333306917.db2.gz LDSOCBORIZKKDC-UHFFFAOYSA-N 2 2 321.852 3.846 20 0 DHADLP CC(C)CC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390672764 333313021 /nfs/dbraw/zinc/31/30/21/333313021.db2.gz SMNSEBZCLVPDDA-AZUAARDMSA-N 2 2 318.505 3.692 20 0 DHADLP CC(C)CC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390672764 333313022 /nfs/dbraw/zinc/31/30/22/333313022.db2.gz SMNSEBZCLVPDDA-AZUAARDMSA-N 2 2 318.505 3.692 20 0 DHADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000040503017 333353357 /nfs/dbraw/zinc/35/33/57/333353357.db2.gz ANYUOEBSCWVASO-GOEBONIOSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000040503017 333353358 /nfs/dbraw/zinc/35/33/58/333353358.db2.gz ANYUOEBSCWVASO-GOEBONIOSA-N 2 2 323.278 3.510 20 0 DHADLP Cc1ncccc1C[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184534822 333361697 /nfs/dbraw/zinc/36/16/97/333361697.db2.gz FQKITRHRKNTUJA-HXUWFJFHSA-N 2 2 311.473 3.636 20 0 DHADLP Cc1ncccc1C[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184534822 333361698 /nfs/dbraw/zinc/36/16/98/333361698.db2.gz FQKITRHRKNTUJA-HXUWFJFHSA-N 2 2 311.473 3.636 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000121407722 333386468 /nfs/dbraw/zinc/38/64/68/333386468.db2.gz OPHFRAVQQXIIPA-BEFAXECRSA-N 2 2 319.408 3.527 20 0 DHADLP COC1(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CCCCC1 ZINC000319700526 333398198 /nfs/dbraw/zinc/39/81/98/333398198.db2.gz RTXAJBWZPYVHOI-LJQANCHMSA-N 2 2 316.489 3.762 20 0 DHADLP Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c(C)[nH+]1 ZINC000413610404 333858422 /nfs/dbraw/zinc/85/84/22/333858422.db2.gz COWBKDINMORDAC-UHFFFAOYSA-N 2 2 323.440 3.937 20 0 DHADLP Clc1cccc([C@@H]2CC[C@@H]([NH2+]CCCn3cc[nH+]c3)C2)c1 ZINC000414051323 333887870 /nfs/dbraw/zinc/88/78/70/333887870.db2.gz JFZWORBBNSWJAF-NVXWUHKLSA-N 2 2 303.837 3.853 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)c1 ZINC000414128490 333899201 /nfs/dbraw/zinc/89/92/01/333899201.db2.gz SGKSXFKEFIEYSJ-HXUWFJFHSA-N 2 2 323.415 3.675 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000414130672 333899482 /nfs/dbraw/zinc/89/94/82/333899482.db2.gz XHUOUDLDEMTRDJ-MRXNPFEDSA-N 2 2 323.362 3.722 20 0 DHADLP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000414146583 333902804 /nfs/dbraw/zinc/90/28/04/333902804.db2.gz VHRHHDUZEPAQGT-PVAVHDDUSA-N 2 2 315.848 3.777 20 0 DHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2c[nH+]c3c(C)cccn23)c1 ZINC000414561085 334019198 /nfs/dbraw/zinc/01/91/98/334019198.db2.gz YQUOMAHQHBOBSZ-LPHOPBHVSA-N 2 2 321.424 3.545 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000343542969 335171021 /nfs/dbraw/zinc/17/10/21/335171021.db2.gz WKJLEQQQEKJGTK-AWEZNQCLSA-N 2 2 316.474 3.617 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000343542969 335171023 /nfs/dbraw/zinc/17/10/23/335171023.db2.gz WKJLEQQQEKJGTK-AWEZNQCLSA-N 2 2 316.474 3.617 20 0 DHADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000414688606 334069219 /nfs/dbraw/zinc/06/92/19/334069219.db2.gz JMMNKKGJMVACRT-QGZVFWFLSA-N 2 2 322.880 3.608 20 0 DHADLP c1csc(-c2n[nH]cc2C[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000414814408 334106593 /nfs/dbraw/zinc/10/65/93/334106593.db2.gz RUIANZBKPYAIGJ-UHFFFAOYSA-N 2 2 318.490 3.540 20 0 DHADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000414816015 334106783 /nfs/dbraw/zinc/10/67/83/334106783.db2.gz YWGXLCPUCXVGOC-FIKGOQFSSA-N 3 2 323.484 3.631 20 0 DHADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000414816015 334106785 /nfs/dbraw/zinc/10/67/85/334106785.db2.gz YWGXLCPUCXVGOC-FIKGOQFSSA-N 3 2 323.484 3.631 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000414822333 334108239 /nfs/dbraw/zinc/10/82/39/334108239.db2.gz DVBGRKDLTZEVGU-QGZVFWFLSA-N 2 2 314.477 3.620 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000414851730 334126059 /nfs/dbraw/zinc/12/60/59/334126059.db2.gz UUBXTDXVZBCAKB-HXUWFJFHSA-N 2 2 311.473 3.736 20 0 DHADLP Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000414905960 334169352 /nfs/dbraw/zinc/16/93/52/334169352.db2.gz AMTXPZHSFTVFLW-HXUWFJFHSA-N 2 2 318.424 3.622 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000414941360 334202405 /nfs/dbraw/zinc/20/24/05/334202405.db2.gz AKACKPITGHIXGG-IJEWVQPXSA-N 2 2 312.379 3.584 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCCc2c(O)cccc21)[N@H+](C)Cc1ccccc1 ZINC000340474684 334211662 /nfs/dbraw/zinc/21/16/62/334211662.db2.gz UEAPUAJCEPUZSW-UZLBHIALSA-N 2 2 324.468 3.880 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCCc2c(O)cccc21)[N@@H+](C)Cc1ccccc1 ZINC000340474684 334211663 /nfs/dbraw/zinc/21/16/63/334211663.db2.gz UEAPUAJCEPUZSW-UZLBHIALSA-N 2 2 324.468 3.880 20 0 DHADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415086867 334275347 /nfs/dbraw/zinc/27/53/47/334275347.db2.gz SAUAXCKWEBLBSD-KGLIPLIRSA-N 2 2 306.347 3.782 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415075798 334266884 /nfs/dbraw/zinc/26/68/84/334266884.db2.gz AHWWWLITJXTAIY-KVSKMBFKSA-N 2 2 310.441 3.839 20 0 DHADLP CC[C@H]([NH2+]CC[NH2+]C(C)(C)C)c1ccccc1OC(F)F ZINC000415088604 334278182 /nfs/dbraw/zinc/27/81/82/334278182.db2.gz VNJQJBUDGROUEN-ZDUSSCGKSA-N 2 2 300.393 3.717 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000531932690 334296871 /nfs/dbraw/zinc/29/68/71/334296871.db2.gz YKALLBNHAJYARF-XHDPSFHLSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000531932690 334296872 /nfs/dbraw/zinc/29/68/72/334296872.db2.gz YKALLBNHAJYARF-XHDPSFHLSA-N 2 2 301.261 3.813 20 0 DHADLP CC1(C)C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)c2ccccc21 ZINC000531941696 334301746 /nfs/dbraw/zinc/30/17/46/334301746.db2.gz PEXVSXOSFUKIMD-SFHVURJKSA-N 2 2 305.425 3.889 20 0 DHADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000531963056 334321051 /nfs/dbraw/zinc/32/10/51/334321051.db2.gz YPMWDPVAVPJUAS-KCXAZCMYSA-N 2 2 314.395 3.942 20 0 DHADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000531963056 334321053 /nfs/dbraw/zinc/32/10/53/334321053.db2.gz YPMWDPVAVPJUAS-KCXAZCMYSA-N 2 2 314.395 3.942 20 0 DHADLP Clc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534862425 334341482 /nfs/dbraw/zinc/34/14/82/334341482.db2.gz MSVCIEQLDCIMIB-UHFFFAOYSA-N 2 2 301.821 3.812 20 0 DHADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000531988511 334361982 /nfs/dbraw/zinc/36/19/82/334361982.db2.gz OLWTYOLSFNDZRF-HZPDHXFCSA-N 2 2 313.445 3.737 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000430582122 334396517 /nfs/dbraw/zinc/39/65/17/334396517.db2.gz KEEOYLVECVJRCA-UKRRQHHQSA-N 2 2 307.507 3.750 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000430582122 334396518 /nfs/dbraw/zinc/39/65/18/334396518.db2.gz KEEOYLVECVJRCA-UKRRQHHQSA-N 2 2 307.507 3.750 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3cc(F)ccc31)CCC2 ZINC000341699877 334471555 /nfs/dbraw/zinc/47/15/55/334471555.db2.gz SDEREKPFHGOUJY-CRAIPNDOSA-N 2 2 313.420 3.875 20 0 DHADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306335 334704549 /nfs/dbraw/zinc/70/45/49/334704549.db2.gz CGMYPJNKBAECTQ-CWRNSKLLSA-N 2 2 311.454 3.720 20 0 DHADLP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C1(C)C ZINC000344120507 335219083 /nfs/dbraw/zinc/21/90/83/335219083.db2.gz ZWDCZJSQCGZUOQ-GVDBMIGSSA-N 2 2 319.493 3.642 20 0 DHADLP c1ccc2sc(C3C[NH+](CCC[NH+]4CCCCC4)C3)nc2c1 ZINC000444607636 338476638 /nfs/dbraw/zinc/47/66/38/338476638.db2.gz JKTKRIOWMSNSRB-UHFFFAOYSA-N 2 2 315.486 3.572 20 0 DHADLP CCO[C@H]1C[C@@H]([NH2+]CCc2cc[nH+]cc2C)C12CCCCC2 ZINC000344277095 335235689 /nfs/dbraw/zinc/23/56/89/335235689.db2.gz CDAFRTACQKKSDT-MSOLQXFVSA-N 2 2 302.462 3.650 20 0 DHADLP Cc1ncc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)cn1 ZINC000344480674 335252869 /nfs/dbraw/zinc/25/28/69/335252869.db2.gz FTSURIJFARFEHN-MRXNPFEDSA-N 2 2 324.472 3.538 20 0 DHADLP FC(F)(F)C1CCC(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000344497325 335256996 /nfs/dbraw/zinc/25/69/96/335256996.db2.gz LHZDBXYMBKFRGX-UHFFFAOYSA-N 2 2 315.383 3.958 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000344851217 335279879 /nfs/dbraw/zinc/27/98/79/335279879.db2.gz JGYSIHXSTFTUEC-CYBMUJFWSA-N 2 2 319.836 3.643 20 0 DHADLP c1ccc(N2CCC([NH2+][C@H]3CCCNc4ccccc43)CC2)[nH+]c1 ZINC000345058593 335296117 /nfs/dbraw/zinc/29/61/17/335296117.db2.gz DAIZMTXWIFQFGU-IBGZPJMESA-N 2 2 322.456 3.587 20 0 DHADLP Clc1ccc([C@H](CC2CC2)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000345257780 335312499 /nfs/dbraw/zinc/31/24/99/335312499.db2.gz BJWPARGMBOCYDE-IRXDYDNUSA-N 2 2 315.848 3.982 20 0 DHADLP Clc1ccc([C@@H](CC2CC2)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000345257778 335312588 /nfs/dbraw/zinc/31/25/88/335312588.db2.gz BJWPARGMBOCYDE-DLBZAZTESA-N 2 2 315.848 3.982 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H](C)[C@H]3C)sc2C1 ZINC000346163694 335384074 /nfs/dbraw/zinc/38/40/74/335384074.db2.gz CASOKWAEWGZLGG-UONOGXRCSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H](C)[C@H]3C)sc2C1 ZINC000346163694 335384076 /nfs/dbraw/zinc/38/40/76/335384076.db2.gz CASOKWAEWGZLGG-UONOGXRCSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H](C)[C@H]3C)sc2C1 ZINC000346163694 335384078 /nfs/dbraw/zinc/38/40/78/335384078.db2.gz CASOKWAEWGZLGG-UONOGXRCSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H](C)[C@H]3C)sc2C1 ZINC000346163694 335384080 /nfs/dbraw/zinc/38/40/80/335384080.db2.gz CASOKWAEWGZLGG-UONOGXRCSA-N 2 2 307.507 3.530 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2cccnc12 ZINC000346233090 335386798 /nfs/dbraw/zinc/38/67/98/335386798.db2.gz ZCVLIEBUUXFUHH-LJQANCHMSA-N 2 2 319.408 3.592 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2cccnc12 ZINC000346233090 335386799 /nfs/dbraw/zinc/38/67/99/335386799.db2.gz ZCVLIEBUUXFUHH-LJQANCHMSA-N 2 2 319.408 3.592 20 0 DHADLP COCCCC[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccccc1 ZINC000348306432 335574635 /nfs/dbraw/zinc/57/46/35/335574635.db2.gz LXOKTHTXCMMDBN-IBGZPJMESA-N 2 2 304.478 3.620 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000367087209 335661875 /nfs/dbraw/zinc/66/18/75/335661875.db2.gz OPIDTEGYHROYSE-MAUKXSAKSA-N 2 2 322.518 3.507 20 0 DHADLP CCSc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000349598830 335683411 /nfs/dbraw/zinc/68/34/11/335683411.db2.gz NCXHAWLWKBLJQK-UHFFFAOYSA-N 2 2 301.459 3.785 20 0 DHADLP Cc1ccc(C(=O)C2CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)c(C)c1 ZINC000519632028 335883635 /nfs/dbraw/zinc/88/36/35/335883635.db2.gz FZTXFTUEETZPEF-GOSISDBHSA-N 2 2 316.489 3.572 20 0 DHADLP Cc1c[nH+]ccc1NCc1[nH+]ccn1CCCc1ccccc1 ZINC000191981778 336011330 /nfs/dbraw/zinc/01/13/30/336011330.db2.gz QNMNXYURABVCBD-UHFFFAOYSA-N 2 2 306.413 3.831 20 0 DHADLP CC(C)[NH2+]C1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000192301227 336027559 /nfs/dbraw/zinc/02/75/59/336027559.db2.gz HHGREGZSWOJYBX-UHFFFAOYSA-N 2 2 318.509 3.864 20 0 DHADLP Fc1c(Cl)cccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351570123 336045866 /nfs/dbraw/zinc/04/58/66/336045866.db2.gz YNMXJQOQWXRGMD-UHFFFAOYSA-N 2 2 316.767 3.731 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000351685113 336058101 /nfs/dbraw/zinc/05/81/01/336058101.db2.gz CMGDEJJCVXQZAZ-UHFFFAOYSA-N 2 2 319.493 3.565 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000351685113 336058103 /nfs/dbraw/zinc/05/81/03/336058103.db2.gz CMGDEJJCVXQZAZ-UHFFFAOYSA-N 2 2 319.493 3.565 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127706 336061755 /nfs/dbraw/zinc/06/17/55/336061755.db2.gz VEUUYLMOQSFINV-SNRMKQJTSA-N 2 2 318.424 3.549 20 0 DHADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000351776377 336068674 /nfs/dbraw/zinc/06/86/74/336068674.db2.gz ZMLXUEJJKDIIRA-PBHICJAKSA-N 2 2 303.837 3.928 20 0 DHADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000351776377 336068675 /nfs/dbraw/zinc/06/86/75/336068675.db2.gz ZMLXUEJJKDIIRA-PBHICJAKSA-N 2 2 303.837 3.928 20 0 DHADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417958582 336096717 /nfs/dbraw/zinc/09/67/17/336096717.db2.gz COGONNVVKJHSHD-ROUUACIJSA-N 2 2 319.452 3.899 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(F)cc1 ZINC000352242192 336206106 /nfs/dbraw/zinc/20/61/06/336206106.db2.gz PFZXLSKFMALYGE-KRWDZBQOSA-N 2 2 321.465 3.831 20 0 DHADLP CCC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352251404 336206877 /nfs/dbraw/zinc/20/68/77/336206877.db2.gz QWODRANPKKRTSB-MRXNPFEDSA-N 2 2 303.475 3.836 20 0 DHADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000352251391 336207011 /nfs/dbraw/zinc/20/70/11/336207011.db2.gz QSCRGNVXSWIZRY-CRAIPNDOSA-N 2 2 313.445 3.673 20 0 DHADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCn1cc[nH+]c1C ZINC000352251391 336207012 /nfs/dbraw/zinc/20/70/12/336207012.db2.gz QSCRGNVXSWIZRY-CRAIPNDOSA-N 2 2 313.445 3.673 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000352355542 336213854 /nfs/dbraw/zinc/21/38/54/336213854.db2.gz CPGFVMTYNURLTN-UHFFFAOYSA-N 2 2 318.367 3.712 20 0 DHADLP CCc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000352358688 336214158 /nfs/dbraw/zinc/21/41/58/336214158.db2.gz WNSPYPKVFCCWJF-UHFFFAOYSA-N 2 2 310.441 3.996 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+]CCc1cc[nH+]cc1C ZINC000352698710 336231105 /nfs/dbraw/zinc/23/11/05/336231105.db2.gz WZADDXDDZOMVHN-FOWTUZBSSA-N 2 2 310.441 3.772 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)s1 ZINC000352714501 336231968 /nfs/dbraw/zinc/23/19/68/336231968.db2.gz WVAWSWQKXNZOBB-MRXNPFEDSA-N 2 2 319.449 3.511 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)s1 ZINC000352761120 336233366 /nfs/dbraw/zinc/23/33/66/336233366.db2.gz USORNPRPQOFAPI-UHFFFAOYSA-N 2 2 321.877 3.637 20 0 DHADLP COCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000352800670 336238663 /nfs/dbraw/zinc/23/86/63/336238663.db2.gz POLAHMBKMZSLGM-SJORKVTESA-N 2 2 320.477 3.512 20 0 DHADLP COCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000352800670 336238664 /nfs/dbraw/zinc/23/86/64/336238664.db2.gz POLAHMBKMZSLGM-SJORKVTESA-N 2 2 320.477 3.512 20 0 DHADLP COCc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000352800670 336238665 /nfs/dbraw/zinc/23/86/65/336238665.db2.gz POLAHMBKMZSLGM-SJORKVTESA-N 2 2 320.477 3.512 20 0 DHADLP COCc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000352800670 336238666 /nfs/dbraw/zinc/23/86/66/336238666.db2.gz POLAHMBKMZSLGM-SJORKVTESA-N 2 2 320.477 3.512 20 0 DHADLP Clc1cccc2c1CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000532449663 336246970 /nfs/dbraw/zinc/24/69/70/336246970.db2.gz MLWKLJOCZMIJFG-QGZVFWFLSA-N 2 2 315.848 3.692 20 0 DHADLP C[C@H](CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532522464 336252325 /nfs/dbraw/zinc/25/23/25/336252325.db2.gz UONGLDJNJBYXGM-IOASZLSFSA-N 2 2 314.395 3.739 20 0 DHADLP C[C@H](CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532522464 336252326 /nfs/dbraw/zinc/25/23/26/336252326.db2.gz UONGLDJNJBYXGM-IOASZLSFSA-N 2 2 314.395 3.739 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532530524 336253800 /nfs/dbraw/zinc/25/38/00/336253800.db2.gz XOLLUQWOYULYFO-ZIAGYGMSSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532530524 336253801 /nfs/dbraw/zinc/25/38/01/336253801.db2.gz XOLLUQWOYULYFO-ZIAGYGMSSA-N 2 2 314.395 3.568 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC000532530998 336253906 /nfs/dbraw/zinc/25/39/06/336253906.db2.gz BKRAKJRIGNMFRT-KXBFYZLASA-N 2 2 313.445 3.728 20 0 DHADLP c1cn(Cc2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)c[nH+]1 ZINC000352825617 336260814 /nfs/dbraw/zinc/26/08/14/336260814.db2.gz SZQCNSOVJZUTCE-UHFFFAOYSA-N 2 2 317.392 3.967 20 0 DHADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(O)c1 ZINC000192909477 336284257 /nfs/dbraw/zinc/28/42/57/336284257.db2.gz KZGMLGRAJNETQM-JXFKEZNVSA-N 2 2 310.441 3.880 20 0 DHADLP Cc1cc(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000301059490 336287845 /nfs/dbraw/zinc/28/78/45/336287845.db2.gz CLQGBTXCKSXXKF-UHFFFAOYSA-N 2 2 324.472 3.539 20 0 DHADLP Cc1cc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nc[nH+]1 ZINC000301260801 336297380 /nfs/dbraw/zinc/29/73/80/336297380.db2.gz SIQCHZPYHZUEPB-HNNXBMFYSA-N 2 2 310.445 3.629 20 0 DHADLP Cc1cc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nc[nH+]1 ZINC000301260801 336297381 /nfs/dbraw/zinc/29/73/81/336297381.db2.gz SIQCHZPYHZUEPB-HNNXBMFYSA-N 2 2 310.445 3.629 20 0 DHADLP CC(C)c1nc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc[nH+]1 ZINC000301287182 336298817 /nfs/dbraw/zinc/29/88/17/336298817.db2.gz OWKLILCCVUAMGE-SJORKVTESA-N 2 2 316.493 3.691 20 0 DHADLP CC(C)c1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc[nH+]1 ZINC000301287182 336298818 /nfs/dbraw/zinc/29/88/18/336298818.db2.gz OWKLILCCVUAMGE-SJORKVTESA-N 2 2 316.493 3.691 20 0 DHADLP Cc1cc(NCc2ccc(F)c(C[NH+](C)C)c2)nc(C(C)C)[nH+]1 ZINC000301308942 336300080 /nfs/dbraw/zinc/30/00/80/336300080.db2.gz XCMUUAIRCAJINS-UHFFFAOYSA-N 2 2 316.424 3.721 20 0 DHADLP CN(CCCn1cc[nH+]c1)c1cc[nH+]c2cc(Cl)ccc21 ZINC000301687505 336323548 /nfs/dbraw/zinc/32/35/48/336323548.db2.gz IRWRYGKBHNHTFN-UHFFFAOYSA-N 2 2 300.793 3.611 20 0 DHADLP CC(C)c1cc(NC[C@@H](C)Cn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000301822074 336332301 /nfs/dbraw/zinc/33/23/01/336332301.db2.gz MNJLONZHKYBJFJ-CQSZACIVSA-N 2 2 301.438 3.668 20 0 DHADLP c1ccc([C@H](C[NH+]2CCCC2)Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000301865996 336335097 /nfs/dbraw/zinc/33/50/97/336335097.db2.gz HBZWJLBUMMYJAL-SFHVURJKSA-N 2 2 306.413 3.812 20 0 DHADLP c1ccc2[nH+]c(N3CCC[C@H](C[NH+]4CCCCCC4)C3)[nH]c2c1 ZINC000301867338 336335223 /nfs/dbraw/zinc/33/52/23/336335223.db2.gz HPFMTEFWECAVOI-MRXNPFEDSA-N 2 2 312.461 3.655 20 0 DHADLP CC(C)(C)c1cc(NCCCn2cc[nH+]c2)nc(C(C)(C)C)[nH+]1 ZINC000302004605 336342592 /nfs/dbraw/zinc/34/25/92/336342592.db2.gz ZIWZDANAELDOST-UHFFFAOYSA-N 2 2 315.465 3.770 20 0 DHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4cccc[nH+]4)[C@H]3C2)cc1 ZINC000302067694 336346713 /nfs/dbraw/zinc/34/67/13/336346713.db2.gz WTFFKXUBRXTMDM-FHWLQOOXSA-N 2 2 307.441 3.794 20 0 DHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](Nc4cccc[nH+]4)[C@H]3C2)cc1 ZINC000302067694 336346714 /nfs/dbraw/zinc/34/67/14/336346714.db2.gz WTFFKXUBRXTMDM-FHWLQOOXSA-N 2 2 307.441 3.794 20 0 DHADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302783894 336368948 /nfs/dbraw/zinc/36/89/48/336368948.db2.gz UKMIINNVHZRMSJ-HNNXBMFYSA-N 2 2 318.509 3.676 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302783894 336368949 /nfs/dbraw/zinc/36/89/49/336368949.db2.gz UKMIINNVHZRMSJ-HNNXBMFYSA-N 2 2 318.509 3.676 20 0 DHADLP CC(C)c1nc(N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302897042 336373681 /nfs/dbraw/zinc/37/36/81/336373681.db2.gz PFWWPFQOKFWBEJ-GJZGRUSLSA-N 2 2 318.509 3.816 20 0 DHADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352905874 336375823 /nfs/dbraw/zinc/37/58/23/336375823.db2.gz BBJSTBZAYYPPSF-JCGIZDLHSA-N 2 2 302.462 3.609 20 0 DHADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352905874 336375824 /nfs/dbraw/zinc/37/58/24/336375824.db2.gz BBJSTBZAYYPPSF-JCGIZDLHSA-N 2 2 302.462 3.609 20 0 DHADLP Fc1ccc(C2=CC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000352969625 336380132 /nfs/dbraw/zinc/38/01/32/336380132.db2.gz SIDHXFVPHQIUTK-ZWKOTPCHSA-N 2 2 300.421 3.588 20 0 DHADLP Fc1ccc(C2=CC[C@H]([NH2+][C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000352969625 336380133 /nfs/dbraw/zinc/38/01/33/336380133.db2.gz SIDHXFVPHQIUTK-ZWKOTPCHSA-N 2 2 300.421 3.588 20 0 DHADLP CSC1(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCC1 ZINC000514640395 336389603 /nfs/dbraw/zinc/38/96/03/336389603.db2.gz ZVIZXVBNNDFOLA-OAHLLOKOSA-N 2 2 306.519 3.991 20 0 DHADLP FCC[C@@H]1CCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000353443995 336418200 /nfs/dbraw/zinc/41/82/00/336418200.db2.gz FDQITWYTJCUCOE-ZWKOTPCHSA-N 2 2 315.436 3.592 20 0 DHADLP Cc1ccc(CCC[NH2+]CCc2cc(C(F)(F)F)ccn2)c[nH+]1 ZINC000354197249 336463102 /nfs/dbraw/zinc/46/31/02/336463102.db2.gz UMNJPRPSXLNKAO-UHFFFAOYSA-N 2 2 323.362 3.569 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)CCC2 ZINC000367178938 336478472 /nfs/dbraw/zinc/47/84/72/336478472.db2.gz CRMYCAGRYFNSCJ-NQYYFHDYSA-N 2 2 309.457 3.851 20 0 DHADLP Cc1[nH+]ccc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1Cl ZINC000355677477 336518850 /nfs/dbraw/zinc/51/88/50/336518850.db2.gz UQXSPIGRZDVWLZ-CYBMUJFWSA-N 2 2 321.877 3.988 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)Cc1cccc(Cl)c1)CCC2 ZINC000367224479 336539390 /nfs/dbraw/zinc/53/93/90/336539390.db2.gz MDRQAUSAOCGCGY-XJKSGUPXSA-N 2 2 317.864 3.943 20 0 DHADLP CC(C)[NH+](CCN(C)Cc1cn2cc(Cl)ccc2[nH+]1)C(C)C ZINC000356390231 336548215 /nfs/dbraw/zinc/54/82/15/336548215.db2.gz IUDHJVWCRVILIB-UHFFFAOYSA-N 2 2 322.884 3.538 20 0 DHADLP CCc1ccc([C@H](C[NH2+]C2CC(c3ccccn3)C2)[NH+](C)C)cc1 ZINC000367317623 336638076 /nfs/dbraw/zinc/63/80/76/336638076.db2.gz MAKVJEGZFARPNR-GRERDSQWSA-N 2 2 323.484 3.783 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(Cl)ccc1OC ZINC000360037518 336698605 /nfs/dbraw/zinc/69/86/05/336698605.db2.gz KKYMZEIPJMIWPO-WFASDCNBSA-N 2 2 307.825 3.675 20 0 DHADLP CCC1CCC(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000361139062 336740601 /nfs/dbraw/zinc/74/06/01/336740601.db2.gz FQIGGOYRFIFDLZ-UHFFFAOYSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+]C(C)(C)C(C)(C)O ZINC000361353862 336753293 /nfs/dbraw/zinc/75/32/93/336753293.db2.gz JDBJQVRYOZEXLR-UHFFFAOYSA-N 2 2 317.477 3.654 20 0 DHADLP Cc1cnc([C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C2CC2)s1 ZINC000361797921 336773056 /nfs/dbraw/zinc/77/30/56/336773056.db2.gz LEJOOPFHRIXOHI-INIZCTEOSA-N 2 2 301.459 3.828 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000361861524 336775878 /nfs/dbraw/zinc/77/58/78/336775878.db2.gz CCYXTIINXJGTBR-UHFFFAOYSA-N 2 2 303.409 3.960 20 0 DHADLP CC(C)CC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000361980889 336780883 /nfs/dbraw/zinc/78/08/83/336780883.db2.gz MQACICOXLPJGBT-UHFFFAOYSA-N 2 2 315.505 3.852 20 0 DHADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCc3c4ccccc4[nH]c31)CCCC2 ZINC000367407695 336822047 /nfs/dbraw/zinc/82/20/47/336822047.db2.gz JHKUXSCSGCEHLW-SFHVURJKSA-N 2 2 320.440 3.868 20 0 DHADLP Cc1cc[nH+]cc1CCCN1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000368046182 336836690 /nfs/dbraw/zinc/83/66/90/336836690.db2.gz ZDQDONWMOWXQGE-FQEVSTJZSA-N 2 2 315.505 3.663 20 0 DHADLP Fc1ccc2c(NCc3ccnc(-n4cc[nH+]c4)c3)cc[nH+]c2c1 ZINC000368109516 336838628 /nfs/dbraw/zinc/83/86/28/336838628.db2.gz ORJIRYYYPHXPHH-UHFFFAOYSA-N 2 2 319.343 3.567 20 0 DHADLP c1cn(-c2ccc(C[NH+]3CCC(c4ccccn4)CC3)cc2)c[nH+]1 ZINC000371318372 336900207 /nfs/dbraw/zinc/90/02/07/336900207.db2.gz IVNNRESTEZYDOT-UHFFFAOYSA-N 2 2 318.424 3.647 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(F)cc(F)c1 ZINC000120809918 336922817 /nfs/dbraw/zinc/92/28/17/336922817.db2.gz JXLSVTNWNKRRKX-ZDUSSCGKSA-N 2 2 317.383 3.679 20 0 DHADLP Brc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374206362 336983726 /nfs/dbraw/zinc/98/37/26/336983726.db2.gz DJQTXIQEVZFXAT-UHFFFAOYSA-N 2 2 320.234 3.552 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000582442825 337000367 /nfs/dbraw/zinc/00/03/67/337000367.db2.gz NRUMRCWTITWRIT-LRFDDAOPSA-N 2 2 324.390 3.935 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000582442825 337000368 /nfs/dbraw/zinc/00/03/68/337000368.db2.gz NRUMRCWTITWRIT-LRFDDAOPSA-N 2 2 324.390 3.935 20 0 DHADLP Cc1ccccc1C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375012581 337001520 /nfs/dbraw/zinc/00/15/20/337001520.db2.gz LXFOWWWZWHJQMD-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP Cc1ccccc1C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375012581 337001521 /nfs/dbraw/zinc/00/15/21/337001521.db2.gz LXFOWWWZWHJQMD-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP FCCC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000375528130 337012791 /nfs/dbraw/zinc/01/27/91/337012791.db2.gz JCUWWXXAJQTCRG-NVXWUHKLSA-N 2 2 305.441 3.558 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)CCC2 ZINC000375787253 337019547 /nfs/dbraw/zinc/01/95/47/337019547.db2.gz GWQASRQBDSBJQM-TXTHVTMNSA-N 2 2 317.383 3.650 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000375815718 337020309 /nfs/dbraw/zinc/02/03/09/337020309.db2.gz QHNNVYQQTAPGMN-OAHLLOKOSA-N 2 2 318.852 3.892 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000375815718 337020310 /nfs/dbraw/zinc/02/03/10/337020310.db2.gz QHNNVYQQTAPGMN-OAHLLOKOSA-N 2 2 318.852 3.892 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ncc(-c3ccccc3)o1)C2 ZINC000376489263 337034816 /nfs/dbraw/zinc/03/48/16/337034816.db2.gz CLYVXLFOBGOYCT-GDBMZVCRSA-N 2 2 322.412 3.512 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376595794 337037524 /nfs/dbraw/zinc/03/75/24/337037524.db2.gz QWNUWBPVTILSIQ-RDJZCZTQSA-N 2 2 315.436 3.760 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376595794 337037525 /nfs/dbraw/zinc/03/75/25/337037525.db2.gz QWNUWBPVTILSIQ-RDJZCZTQSA-N 2 2 315.436 3.760 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)o1 ZINC000376615876 337038178 /nfs/dbraw/zinc/03/81/78/337038178.db2.gz TZFYZMNNWLDDLB-CYBMUJFWSA-N 2 2 319.474 3.662 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)o1 ZINC000376615876 337038179 /nfs/dbraw/zinc/03/81/79/337038179.db2.gz TZFYZMNNWLDDLB-CYBMUJFWSA-N 2 2 319.474 3.662 20 0 DHADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCC(C)(C)C1 ZINC000376679916 337039493 /nfs/dbraw/zinc/03/94/93/337039493.db2.gz MADODKSFDXNZNF-BZSNNMDCSA-N 2 2 301.478 3.585 20 0 DHADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCC(C)(C)C1 ZINC000376679916 337039494 /nfs/dbraw/zinc/03/94/94/337039494.db2.gz MADODKSFDXNZNF-BZSNNMDCSA-N 2 2 301.478 3.585 20 0 DHADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1CCC(C)(C)C1 ZINC000376679916 337039495 /nfs/dbraw/zinc/03/94/95/337039495.db2.gz MADODKSFDXNZNF-BZSNNMDCSA-N 2 2 301.478 3.585 20 0 DHADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1CCC(C)(C)C1 ZINC000376679916 337039496 /nfs/dbraw/zinc/03/94/96/337039496.db2.gz MADODKSFDXNZNF-BZSNNMDCSA-N 2 2 301.478 3.585 20 0 DHADLP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000376682525 337039553 /nfs/dbraw/zinc/03/95/53/337039553.db2.gz UQDIQXSCLDSFAL-PMACEKPBSA-N 2 2 309.457 3.515 20 0 DHADLP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000376682525 337039554 /nfs/dbraw/zinc/03/95/54/337039554.db2.gz UQDIQXSCLDSFAL-PMACEKPBSA-N 2 2 309.457 3.515 20 0 DHADLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000376682525 337039555 /nfs/dbraw/zinc/03/95/55/337039555.db2.gz UQDIQXSCLDSFAL-PMACEKPBSA-N 2 2 309.457 3.515 20 0 DHADLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000376682525 337039556 /nfs/dbraw/zinc/03/95/56/337039556.db2.gz UQDIQXSCLDSFAL-PMACEKPBSA-N 2 2 309.457 3.515 20 0 DHADLP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377257945 337049718 /nfs/dbraw/zinc/04/97/18/337049718.db2.gz QCRVCBMDFSTFPU-XIRDDKMYSA-N 2 2 321.534 3.584 20 0 DHADLP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377257945 337049719 /nfs/dbraw/zinc/04/97/19/337049719.db2.gz QCRVCBMDFSTFPU-XIRDDKMYSA-N 2 2 321.534 3.584 20 0 DHADLP CSCCCCC[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000377304696 337050257 /nfs/dbraw/zinc/05/02/57/337050257.db2.gz JSHLSJHAQNPMGG-UHFFFAOYSA-N 2 2 312.548 3.835 20 0 DHADLP COC[C@@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)C1CCCC1 ZINC000377347333 337050878 /nfs/dbraw/zinc/05/08/78/337050878.db2.gz SYAXWXCOVCWZJB-GOSISDBHSA-N 2 2 322.518 3.507 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cc(-c3ccccc3)cs1)C2 ZINC000377778904 337060802 /nfs/dbraw/zinc/06/08/02/337060802.db2.gz MLMXZYHBNZZQAC-HNNXBMFYSA-N 2 2 309.438 3.785 20 0 DHADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cc(-c3ccccc3)cs1)CC2 ZINC000377778904 337060803 /nfs/dbraw/zinc/06/08/03/337060803.db2.gz MLMXZYHBNZZQAC-HNNXBMFYSA-N 2 2 309.438 3.785 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CC=CCC3)[C@H](C)C2)s1 ZINC000378245121 337068609 /nfs/dbraw/zinc/06/86/09/337068609.db2.gz SFDYLNCZHBBYJF-HFTRVMKXSA-N 2 2 319.518 3.608 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CC=CCC3)[C@H](C)C2)s1 ZINC000378245121 337068610 /nfs/dbraw/zinc/06/86/10/337068610.db2.gz SFDYLNCZHBBYJF-HFTRVMKXSA-N 2 2 319.518 3.608 20 0 DHADLP Cc1ccc(F)cc1C[NH2+]Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000378487053 337074034 /nfs/dbraw/zinc/07/40/34/337074034.db2.gz YCARFHSAWSMVDB-UHFFFAOYSA-N 2 2 309.388 3.824 20 0 DHADLP Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000193731752 337079184 /nfs/dbraw/zinc/07/91/84/337079184.db2.gz CUZWPQKNLNUYHB-UHFFFAOYSA-N 2 2 315.848 3.802 20 0 DHADLP Cc1ccc(-c2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)on2)cc1 ZINC000360017943 337083832 /nfs/dbraw/zinc/08/38/32/337083832.db2.gz FMQPGLAKGCJADK-UHFFFAOYSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1ccc(-c2cc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)on2)cc1 ZINC000360017943 337083833 /nfs/dbraw/zinc/08/38/33/337083833.db2.gz FMQPGLAKGCJADK-UHFFFAOYSA-N 2 2 322.412 3.753 20 0 DHADLP Cn1cc[nH+]c1-c1cccc(C[NH2+]Cc2cc(F)cc(F)c2)c1 ZINC000360053210 337084303 /nfs/dbraw/zinc/08/43/03/337084303.db2.gz CSBBBKVFMHPGBR-UHFFFAOYSA-N 2 2 313.351 3.655 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3nc(C)sc31)CCC2 ZINC000360080604 337085252 /nfs/dbraw/zinc/08/52/52/337085252.db2.gz ZSOASVCLNFHHIA-KGLIPLIRSA-N 2 2 316.474 3.501 20 0 DHADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000582772816 337145033 /nfs/dbraw/zinc/14/50/33/337145033.db2.gz FMGLNHWOJNKBEE-CQSZACIVSA-N 2 2 323.893 3.927 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000176993163 337153972 /nfs/dbraw/zinc/15/39/72/337153972.db2.gz KTQCRJZLUQEXSG-RDTXWAMCSA-N 2 2 302.462 3.900 20 0 DHADLP COc1cccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000177210136 337154719 /nfs/dbraw/zinc/15/47/19/337154719.db2.gz ZZIIMMGPQKAPJJ-INIZCTEOSA-N 2 2 321.424 3.791 20 0 DHADLP Cc1nc(NC2CC[NH+](CCc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000177810531 337157590 /nfs/dbraw/zinc/15/75/90/337157590.db2.gz MKAHIDNFWJSAAT-UHFFFAOYSA-N 2 2 324.472 3.521 20 0 DHADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000178185148 337161284 /nfs/dbraw/zinc/16/12/84/337161284.db2.gz GLVPPKOQZFKUMV-LQWHRVPQSA-N 2 2 323.484 3.685 20 0 DHADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000178185148 337161285 /nfs/dbraw/zinc/16/12/85/337161285.db2.gz GLVPPKOQZFKUMV-LQWHRVPQSA-N 2 2 323.484 3.685 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000178501071 337163279 /nfs/dbraw/zinc/16/32/79/337163279.db2.gz ZHGKJSWBSBDLAC-PXNSSMCTSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000178501071 337163280 /nfs/dbraw/zinc/16/32/80/337163280.db2.gz ZHGKJSWBSBDLAC-PXNSSMCTSA-N 2 2 315.505 3.852 20 0 DHADLP CC[C@H](Cc1ccccc1)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000321024196 337176077 /nfs/dbraw/zinc/17/60/77/337176077.db2.gz BVBBRPMJWAGGAI-GOSISDBHSA-N 2 2 307.441 3.956 20 0 DHADLP COc1ccc(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000180677592 337177301 /nfs/dbraw/zinc/17/73/01/337177301.db2.gz FHRLFLHNPMHUMQ-INIZCTEOSA-N 2 2 321.424 3.774 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)[nH+]c2c1 ZINC000460938907 337193306 /nfs/dbraw/zinc/19/33/06/337193306.db2.gz RDHKAPZQAWVLDG-APWZRJJASA-N 2 2 309.457 3.772 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)[nH+]c2c1 ZINC000460938907 337193307 /nfs/dbraw/zinc/19/33/07/337193307.db2.gz RDHKAPZQAWVLDG-APWZRJJASA-N 2 2 309.457 3.772 20 0 DHADLP Cc1cncc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000184300754 337197617 /nfs/dbraw/zinc/19/76/17/337197617.db2.gz MACVWVJAMDTVAZ-CQSZACIVSA-N 2 2 310.376 3.566 20 0 DHADLP COc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000186124062 337253776 /nfs/dbraw/zinc/25/37/76/337253776.db2.gz ZRTXNWLAOIBRFS-CYBMUJFWSA-N 2 2 313.426 3.793 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CCSCC1 ZINC000186987291 337261909 /nfs/dbraw/zinc/26/19/09/337261909.db2.gz OEJAZKKTVQDVKC-OAHLLOKOSA-N 2 2 315.486 3.553 20 0 DHADLP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000188028930 337270131 /nfs/dbraw/zinc/27/01/31/337270131.db2.gz RPSUWWOUPDJPPC-FUHWJXTLSA-N 2 2 301.478 3.604 20 0 DHADLP Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000188953565 337276940 /nfs/dbraw/zinc/27/69/40/337276940.db2.gz CEYWMUDRJTVTOV-IBGZPJMESA-N 2 2 319.408 3.794 20 0 DHADLP c1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000321644145 337281074 /nfs/dbraw/zinc/28/10/74/337281074.db2.gz WUUXIQOSNUPDBQ-FPOVZHCZSA-N 2 2 306.453 3.797 20 0 DHADLP c1ccc(C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000321644145 337281075 /nfs/dbraw/zinc/28/10/75/337281075.db2.gz WUUXIQOSNUPDBQ-FPOVZHCZSA-N 2 2 306.453 3.797 20 0 DHADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCCc4occc43)cc2)c[nH+]1 ZINC000190933453 337291500 /nfs/dbraw/zinc/29/15/00/337291500.db2.gz KAPGYEBTELOHFY-SFHVURJKSA-N 2 2 307.397 3.692 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000192047759 337302235 /nfs/dbraw/zinc/30/22/35/337302235.db2.gz UQDBOOKASJZETQ-UHFFFAOYSA-N 2 2 323.362 3.955 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000192135252 337303096 /nfs/dbraw/zinc/30/30/96/337303096.db2.gz WNWBHLOPHZJCIE-MRXNPFEDSA-N 2 2 306.413 3.769 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)c1ccncc1 ZINC000192135252 337303097 /nfs/dbraw/zinc/30/30/97/337303097.db2.gz WNWBHLOPHZJCIE-MRXNPFEDSA-N 2 2 306.413 3.769 20 0 DHADLP Cc1cnccc1C[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000398058560 337305042 /nfs/dbraw/zinc/30/50/42/337305042.db2.gz ARVBQNQXPSRSEO-HXUWFJFHSA-N 2 2 311.473 3.636 20 0 DHADLP Cc1cnccc1C[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000398058560 337305043 /nfs/dbraw/zinc/30/50/43/337305043.db2.gz ARVBQNQXPSRSEO-HXUWFJFHSA-N 2 2 311.473 3.636 20 0 DHADLP CC(C)Sc1cccc(Cl)c1C[NH2+]CCn1cc[nH+]c1 ZINC000192452736 337305350 /nfs/dbraw/zinc/30/53/50/337305350.db2.gz DZAOAJVBHZIRQG-UHFFFAOYSA-N 2 2 309.866 3.827 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000583839139 337340717 /nfs/dbraw/zinc/34/07/17/337340717.db2.gz VEKAURKWMXBKLK-FXAWDEMLSA-N 2 2 310.441 3.785 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000583839139 337340718 /nfs/dbraw/zinc/34/07/18/337340718.db2.gz VEKAURKWMXBKLK-FXAWDEMLSA-N 2 2 310.441 3.785 20 0 DHADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000037228688 337395369 /nfs/dbraw/zinc/39/53/69/337395369.db2.gz OOEYAKQMAHTTEG-OAHLLOKOSA-N 2 2 311.267 3.586 20 0 DHADLP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000123457881 337398875 /nfs/dbraw/zinc/39/88/75/337398875.db2.gz KBGHSSGGBJIPFJ-HKUYNNGSSA-N 2 2 315.505 3.852 20 0 DHADLP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000123457881 337398876 /nfs/dbraw/zinc/39/88/76/337398876.db2.gz KBGHSSGGBJIPFJ-HKUYNNGSSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3ccccc32)n1-c1ccccc1 ZINC000237867693 337469540 /nfs/dbraw/zinc/46/95/40/337469540.db2.gz PFDDKHAHBHRYAQ-HXUWFJFHSA-N 2 2 303.409 3.958 20 0 DHADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(COc3ccccc3)cc2)n1C ZINC000571940848 337583616 /nfs/dbraw/zinc/58/36/16/337583616.db2.gz ZXVLUGQMLNWSDB-UHFFFAOYSA-N 2 2 321.424 3.597 20 0 DHADLP CC1(C)C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c2cc(N)ccc2O1 ZINC000572234683 337599568 /nfs/dbraw/zinc/59/95/68/337599568.db2.gz YLTXSPLOMRYZES-BZSNNMDCSA-N 2 2 323.440 3.605 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422948869 337694345 /nfs/dbraw/zinc/69/43/45/337694345.db2.gz RZYFPTMIQPKHLT-UXLLHSPISA-N 2 2 320.477 3.665 20 0 DHADLP CC[C@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423128651 337700721 /nfs/dbraw/zinc/70/07/21/337700721.db2.gz WBYMOSRNFTWASJ-JYJNAYRXSA-N 2 2 314.395 3.528 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423194302 337703329 /nfs/dbraw/zinc/70/33/29/337703329.db2.gz RFDFSRYDVRZWAR-QFBILLFUSA-N 2 2 310.441 3.668 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc2ccccc2c1OC(F)F ZINC000423230194 337705883 /nfs/dbraw/zinc/70/58/83/337705883.db2.gz CWIJHIBLJIOMJQ-TZMCWYRMSA-N 2 2 320.383 3.844 20 0 DHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423234858 337706297 /nfs/dbraw/zinc/70/62/97/337706297.db2.gz MJDBJVZEJPENMM-BBRMVZONSA-N 2 2 315.486 3.830 20 0 DHADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423250079 337707307 /nfs/dbraw/zinc/70/73/07/337707307.db2.gz UNJWBGXCMGVQFI-FHWLQOOXSA-N 2 2 304.478 3.605 20 0 DHADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423250231 337707454 /nfs/dbraw/zinc/70/74/54/337707454.db2.gz UAKMVMWREDITSM-CQSZACIVSA-N 2 2 319.449 3.526 20 0 DHADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423259173 337707795 /nfs/dbraw/zinc/70/77/95/337707795.db2.gz DDKMGABZPPNHLI-CVEARBPZSA-N 2 2 313.445 3.898 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000423295240 337710704 /nfs/dbraw/zinc/71/07/04/337710704.db2.gz DSBHXLNNHAPKRA-GJZGRUSLSA-N 2 2 318.383 3.500 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC[NH2+]1 ZINC000423396393 337715427 /nfs/dbraw/zinc/71/54/27/337715427.db2.gz UCAMRJKPRVLCNX-LIVBEALHSA-N 2 2 321.424 3.647 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cnc2ccsc2c1 ZINC000423394844 337718625 /nfs/dbraw/zinc/71/86/25/337718625.db2.gz SDQRFEUQAQNLIC-MLGOLLRUSA-N 2 2 303.475 3.725 20 0 DHADLP C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)[C@H](C)[NH3+] ZINC000423454650 337720312 /nfs/dbraw/zinc/72/03/12/337720312.db2.gz ZHTLVASGWIDQOJ-AHIWAGSCSA-N 2 2 320.383 3.703 20 0 DHADLP Cc1ccc([C@@H](C[NH2+]Cc2ccnc(C)c2)[NH+]2CCCC2)cc1 ZINC000527650472 337756008 /nfs/dbraw/zinc/75/60/08/337756008.db2.gz PSALHPRMMNBELD-HXUWFJFHSA-N 2 2 309.457 3.625 20 0 DHADLP Fc1cccc2c1SCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000045106278 337819043 /nfs/dbraw/zinc/81/90/43/337819043.db2.gz DLFBSWBARMDZCO-OAHLLOKOSA-N 2 2 305.422 3.629 20 0 DHADLP C[C@H](C[NH2+]Cc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000057994052 337866497 /nfs/dbraw/zinc/86/64/97/337866497.db2.gz YNRJGQKIOOUZLH-GFCCVEGCSA-N 2 2 301.261 3.815 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000120653223 337877149 /nfs/dbraw/zinc/87/71/49/337877149.db2.gz BXTKCGDKDKDCEK-LBPRGKRZSA-N 2 2 315.367 3.974 20 0 DHADLP CC(C)=CCC[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000537456761 337937341 /nfs/dbraw/zinc/93/73/41/337937341.db2.gz XOXPUKTURZKAMZ-SJLPKXTDSA-N 2 2 316.493 3.769 20 0 DHADLP Cc1[nH]c(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)[nH+]c1C ZINC000516315061 338009662 /nfs/dbraw/zinc/00/96/62/338009662.db2.gz HNCJEXFRROIROH-UHFFFAOYSA-N 2 2 311.433 3.823 20 0 DHADLP CCCc1csc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)n1 ZINC000426417482 338031494 /nfs/dbraw/zinc/03/14/94/338031494.db2.gz RTKIVKYKXIWTAE-OAHLLOKOSA-N 2 2 318.490 3.692 20 0 DHADLP CCCc1csc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)n1 ZINC000426417482 338031495 /nfs/dbraw/zinc/03/14/95/338031495.db2.gz RTKIVKYKXIWTAE-OAHLLOKOSA-N 2 2 318.490 3.692 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c[nH+]1 ZINC000428270827 338045054 /nfs/dbraw/zinc/04/50/54/338045054.db2.gz WFEYTMLXEHAHRM-HKUYNNGSSA-N 3 2 315.505 3.565 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c[nH+]1 ZINC000428270827 338045055 /nfs/dbraw/zinc/04/50/55/338045055.db2.gz WFEYTMLXEHAHRM-HKUYNNGSSA-N 3 2 315.505 3.565 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428328027 338047585 /nfs/dbraw/zinc/04/75/85/338047585.db2.gz WRMDVRWGAPHNOR-HOCLYGCPSA-N 2 2 319.493 3.849 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000428328027 338047586 /nfs/dbraw/zinc/04/75/86/338047586.db2.gz WRMDVRWGAPHNOR-HOCLYGCPSA-N 2 2 319.493 3.849 20 0 DHADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429027642 338069277 /nfs/dbraw/zinc/06/92/77/338069277.db2.gz BHMLGQHGSPMVEB-CZUORRHYSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429027642 338069278 /nfs/dbraw/zinc/06/92/78/338069278.db2.gz BHMLGQHGSPMVEB-CZUORRHYSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1ccccc1Br)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429027642 338069279 /nfs/dbraw/zinc/06/92/79/338069279.db2.gz BHMLGQHGSPMVEB-CZUORRHYSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1ccccc1Br)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429027642 338069280 /nfs/dbraw/zinc/06/92/80/338069280.db2.gz BHMLGQHGSPMVEB-CZUORRHYSA-N 2 2 323.278 3.538 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000429533803 338083243 /nfs/dbraw/zinc/08/32/43/338083243.db2.gz CKICSDSAFXQYCX-INIZCTEOSA-N 2 2 315.486 3.726 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000429533803 338083244 /nfs/dbraw/zinc/08/32/44/338083244.db2.gz CKICSDSAFXQYCX-INIZCTEOSA-N 2 2 315.486 3.726 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)co2)cc1 ZINC000429540510 338083413 /nfs/dbraw/zinc/08/34/13/338083413.db2.gz MNUOPPOXLOCQLA-SFHVURJKSA-N 2 2 313.445 3.566 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)co2)cc1 ZINC000429540510 338083414 /nfs/dbraw/zinc/08/34/14/338083414.db2.gz MNUOPPOXLOCQLA-SFHVURJKSA-N 2 2 313.445 3.566 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000430092266 338096029 /nfs/dbraw/zinc/09/60/29/338096029.db2.gz YMXWNBCEROTPDH-PBHICJAKSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000430092266 338096030 /nfs/dbraw/zinc/09/60/30/338096030.db2.gz YMXWNBCEROTPDH-PBHICJAKSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@@H](C[NH2+]Cc1csc(Cl)c1Cl)Cn1cc[nH+]c1 ZINC000432242293 338150065 /nfs/dbraw/zinc/15/00/65/338150065.db2.gz YIUKMUCHSYIWLP-VIFPVBQESA-N 2 2 304.246 3.677 20 0 DHADLP Fc1ccc2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2c1 ZINC000432742936 338165746 /nfs/dbraw/zinc/16/57/46/338165746.db2.gz RCYCTOKMLTWMOS-NSHDSACASA-N 2 2 316.405 3.538 20 0 DHADLP Fc1ccc2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2c1 ZINC000432742936 338165747 /nfs/dbraw/zinc/16/57/47/338165747.db2.gz RCYCTOKMLTWMOS-NSHDSACASA-N 2 2 316.405 3.538 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000432816112 338168929 /nfs/dbraw/zinc/16/89/29/338168929.db2.gz NBSMGVDMXHEKBH-CQSZACIVSA-N 2 2 321.515 3.788 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000432816112 338168930 /nfs/dbraw/zinc/16/89/30/338168930.db2.gz NBSMGVDMXHEKBH-CQSZACIVSA-N 2 2 321.515 3.788 20 0 DHADLP C[C@H]([NH3+])CCC(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000434686844 338223440 /nfs/dbraw/zinc/22/34/40/338223440.db2.gz XGKFVOYGHCHETP-LBPRGKRZSA-N 2 2 314.433 3.677 20 0 DHADLP C[C@H](C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434746612 338224677 /nfs/dbraw/zinc/22/46/77/338224677.db2.gz NZQQJOHMCVOORG-QMMLZNLJSA-N 2 2 323.484 3.810 20 0 DHADLP C[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434746612 338224678 /nfs/dbraw/zinc/22/46/78/338224678.db2.gz NZQQJOHMCVOORG-QMMLZNLJSA-N 2 2 323.484 3.810 20 0 DHADLP C[C@H](C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434746612 338224679 /nfs/dbraw/zinc/22/46/79/338224679.db2.gz NZQQJOHMCVOORG-QMMLZNLJSA-N 2 2 323.484 3.810 20 0 DHADLP C[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434746612 338224680 /nfs/dbraw/zinc/22/46/80/338224680.db2.gz NZQQJOHMCVOORG-QMMLZNLJSA-N 2 2 323.484 3.810 20 0 DHADLP CC[N@H+](Cc1csc(-c2cccs2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435388356 338238584 /nfs/dbraw/zinc/23/85/84/338238584.db2.gz FLWWLPNAIIIWLY-AWEZNQCLSA-N 2 2 321.515 3.836 20 0 DHADLP CC[N@@H+](Cc1csc(-c2cccs2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435388356 338238585 /nfs/dbraw/zinc/23/85/85/338238585.db2.gz FLWWLPNAIIIWLY-AWEZNQCLSA-N 2 2 321.515 3.836 20 0 DHADLP COc1ccccc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154568392 338245986 /nfs/dbraw/zinc/24/59/86/338245986.db2.gz SSKFGRONXCMPTO-MRXNPFEDSA-N 2 2 321.424 3.774 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H](c3ccccc3)C1)CCC2 ZINC000436238253 338262798 /nfs/dbraw/zinc/26/27/98/338262798.db2.gz FSVKTIAXWYLOQK-GBESFXJTSA-N 2 2 309.457 3.995 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436309763 338268450 /nfs/dbraw/zinc/26/84/50/338268450.db2.gz PRWUDVGIYMQENP-BQUDOFGOSA-N 2 2 304.865 3.658 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436309763 338268451 /nfs/dbraw/zinc/26/84/51/338268451.db2.gz PRWUDVGIYMQENP-BQUDOFGOSA-N 2 2 304.865 3.658 20 0 DHADLP C[NH+](C)C1(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CCC1 ZINC000437086232 338300071 /nfs/dbraw/zinc/30/00/71/338300071.db2.gz QSNMNGPBPPBPGD-SFHVURJKSA-N 2 2 302.437 3.836 20 0 DHADLP Fc1cc(Cl)ccc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000438085749 338330570 /nfs/dbraw/zinc/33/05/70/338330570.db2.gz DOGJVCWAEXOYIP-UHFFFAOYSA-N 2 2 315.779 3.955 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000438090871 338331021 /nfs/dbraw/zinc/33/10/21/338331021.db2.gz CSOXSTYKLNHDLH-APWZRJJASA-N 2 2 314.448 3.519 20 0 DHADLP Fc1cccc2[nH]c(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc21 ZINC000438130713 338333857 /nfs/dbraw/zinc/33/38/57/338333857.db2.gz VBZVUXZYMFXMIU-HNNXBMFYSA-N 2 2 315.436 3.615 20 0 DHADLP Fc1cccc2[nH]c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc21 ZINC000438130713 338333858 /nfs/dbraw/zinc/33/38/58/338333858.db2.gz VBZVUXZYMFXMIU-HNNXBMFYSA-N 2 2 315.436 3.615 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000447092758 338545117 /nfs/dbraw/zinc/54/51/17/338545117.db2.gz CXTZXSFPIXEWRJ-UHFFFAOYSA-N 2 2 314.404 3.881 20 0 DHADLP Clc1ccc([C@@H]2CC[C@H]([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000449060660 338589332 /nfs/dbraw/zinc/58/93/32/338589332.db2.gz DMIQVQWGWVHAAK-WBVHZDCISA-N 2 2 303.837 3.853 20 0 DHADLP Cc1cnc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)s1 ZINC000449146951 338596808 /nfs/dbraw/zinc/59/68/08/338596808.db2.gz DYIGZOUXPPNZQO-OAHLLOKOSA-N 2 2 315.486 3.767 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3C[C@H](C)O[C@H]3C)ccc2n1C1CC1 ZINC000449315029 338611982 /nfs/dbraw/zinc/61/19/82/338611982.db2.gz SSHQYLNWOPZADZ-HEHGZKQESA-N 2 2 313.445 3.589 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H]3CCCc4c(F)cccc43)c[nH+]c12 ZINC000449353277 338616980 /nfs/dbraw/zinc/61/69/80/338616980.db2.gz ZOXGQWJVRMBWCR-GOSISDBHSA-N 2 2 309.388 3.949 20 0 DHADLP CCn1ccnc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449562335 338637833 /nfs/dbraw/zinc/63/78/33/338637833.db2.gz JNDJYDXJLPLESW-RYRKJORJSA-N 2 2 318.509 3.597 20 0 DHADLP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449565358 338638155 /nfs/dbraw/zinc/63/81/55/338638155.db2.gz IKRFAOXIZRMKPB-GJZGRUSLSA-N 2 2 323.444 3.809 20 0 DHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000449707054 338647305 /nfs/dbraw/zinc/64/73/05/338647305.db2.gz POENQGOXRDKUMI-RDTXWAMCSA-N 2 2 317.477 3.685 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000449724602 338647833 /nfs/dbraw/zinc/64/78/33/338647833.db2.gz YOAPWTTZYSAXOK-UHFFFAOYSA-N 2 2 324.468 3.704 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453186070 338804441 /nfs/dbraw/zinc/80/44/41/338804441.db2.gz WOIGFYJQTHYPNP-INIZCTEOSA-N 2 2 320.440 3.684 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000459321059 339021528 /nfs/dbraw/zinc/02/15/28/339021528.db2.gz GLTKTNXSAXZDAI-UHFFFAOYSA-N 2 2 323.415 3.804 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000459321059 339021529 /nfs/dbraw/zinc/02/15/29/339021529.db2.gz GLTKTNXSAXZDAI-UHFFFAOYSA-N 2 2 323.415 3.804 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC000459321965 339021670 /nfs/dbraw/zinc/02/16/70/339021670.db2.gz BQLBAVKRECQPII-UHFFFAOYSA-N 2 2 315.436 3.937 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1F)C1CCCCC1 ZINC000459321965 339021671 /nfs/dbraw/zinc/02/16/71/339021671.db2.gz BQLBAVKRECQPII-UHFFFAOYSA-N 2 2 315.436 3.937 20 0 DHADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCc2c[nH+]cn2C)o1 ZINC000459367946 339024968 /nfs/dbraw/zinc/02/49/68/339024968.db2.gz VTQOHXWOEMQDSP-YOEHRIQHSA-N 2 2 301.434 3.591 20 0 DHADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCc2c[nH+]cn2C)o1 ZINC000459367946 339024969 /nfs/dbraw/zinc/02/49/69/339024969.db2.gz VTQOHXWOEMQDSP-YOEHRIQHSA-N 2 2 301.434 3.591 20 0 DHADLP CC1(c2ccccc2)CC(Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000459552631 339035409 /nfs/dbraw/zinc/03/54/09/339035409.db2.gz WJKXIIVBEBLSHZ-UHFFFAOYSA-N 2 2 318.424 3.859 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000459652573 339040471 /nfs/dbraw/zinc/04/04/71/339040471.db2.gz UBTRBJRUIFPPPG-HNNXBMFYSA-N 2 2 309.413 3.811 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)nc1C ZINC000459661315 339041283 /nfs/dbraw/zinc/04/12/83/339041283.db2.gz GAQAIXFOXJGZTE-MGPUTAFESA-N 2 2 315.505 3.831 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)nc1C ZINC000459661998 339041354 /nfs/dbraw/zinc/04/13/54/339041354.db2.gz GOWINSFQQCHYFY-UZLBHIALSA-N 2 2 315.505 3.831 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)C[N@@H+]1C1CC1 ZINC000459662416 339041438 /nfs/dbraw/zinc/04/14/38/339041438.db2.gz ALAJMEKKCFJMBB-LRQBHLAOSA-N 2 2 308.828 3.550 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)C[N@H+]1C1CC1 ZINC000459662416 339041439 /nfs/dbraw/zinc/04/14/39/339041439.db2.gz ALAJMEKKCFJMBB-LRQBHLAOSA-N 2 2 308.828 3.550 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459792995 339048891 /nfs/dbraw/zinc/04/88/91/339048891.db2.gz KMWBFCXYFLQSSZ-HOTGVXAUSA-N 2 2 315.486 3.705 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459792995 339048892 /nfs/dbraw/zinc/04/88/92/339048892.db2.gz KMWBFCXYFLQSSZ-HOTGVXAUSA-N 2 2 315.486 3.705 20 0 DHADLP C[C@@H]1CCC[N@H+](CC[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000466361000 339200705 /nfs/dbraw/zinc/20/07/05/339200705.db2.gz MZNOKKXCKDRMBP-WLYUNCDWSA-N 2 2 306.416 3.677 20 0 DHADLP C[C@@H]1CCC[N@@H+](CC[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000466361000 339200706 /nfs/dbraw/zinc/20/07/06/339200706.db2.gz MZNOKKXCKDRMBP-WLYUNCDWSA-N 2 2 306.416 3.677 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000466899496 339220586 /nfs/dbraw/zinc/22/05/86/339220586.db2.gz KAUAFJHNTONBAD-WFASDCNBSA-N 2 2 312.379 3.729 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000466899496 339220587 /nfs/dbraw/zinc/22/05/87/339220587.db2.gz KAUAFJHNTONBAD-WFASDCNBSA-N 2 2 312.379 3.729 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311370 339231298 /nfs/dbraw/zinc/23/12/98/339231298.db2.gz PRUHLJGETIEGMP-XJKSGUPXSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311370 339231299 /nfs/dbraw/zinc/23/12/99/339231299.db2.gz PRUHLJGETIEGMP-XJKSGUPXSA-N 2 2 314.395 3.710 20 0 DHADLP CCCCOc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000468395078 339261649 /nfs/dbraw/zinc/26/16/49/339261649.db2.gz XNFWWNUPFHCKSS-HKUYNNGSSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000468395078 339261650 /nfs/dbraw/zinc/26/16/50/339261650.db2.gz XNFWWNUPFHCKSS-HKUYNNGSSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000468395078 339261651 /nfs/dbraw/zinc/26/16/51/339261651.db2.gz XNFWWNUPFHCKSS-HKUYNNGSSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000468395078 339261652 /nfs/dbraw/zinc/26/16/52/339261652.db2.gz XNFWWNUPFHCKSS-HKUYNNGSSA-N 2 2 316.489 3.782 20 0 DHADLP C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000468689534 339268576 /nfs/dbraw/zinc/26/85/76/339268576.db2.gz UOFNZLIVZOKNAZ-FQEVSTJZSA-N 2 2 305.425 3.932 20 0 DHADLP C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000468689534 339268577 /nfs/dbraw/zinc/26/85/77/339268577.db2.gz UOFNZLIVZOKNAZ-FQEVSTJZSA-N 2 2 305.425 3.932 20 0 DHADLP CCC[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000469988925 339307164 /nfs/dbraw/zinc/30/71/64/339307164.db2.gz BBCUHLQSNMQLSM-LBPRGKRZSA-N 2 2 318.795 3.515 20 0 DHADLP CCC[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000469988925 339307165 /nfs/dbraw/zinc/30/71/65/339307165.db2.gz BBCUHLQSNMQLSM-LBPRGKRZSA-N 2 2 318.795 3.515 20 0 DHADLP c1cn(-c2csc(C[NH2+]C34CC5CC(CC(C5)C3)C4)c2)c[nH+]1 ZINC000470204739 339314164 /nfs/dbraw/zinc/31/41/64/339314164.db2.gz WNTYKPJXNXZSCE-UHFFFAOYSA-N 2 2 313.470 3.992 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@@H](c2ccccc2)C1 ZINC000470353880 339318000 /nfs/dbraw/zinc/31/80/00/339318000.db2.gz KFOMLGQZGDSLOK-WNHJNPCNSA-N 2 2 309.457 3.760 20 0 DHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(C(F)F)c2)C1 ZINC000470772804 339327373 /nfs/dbraw/zinc/32/73/73/339327373.db2.gz LKJIVHLZFPUOKK-INIZCTEOSA-N 2 2 308.416 3.788 20 0 DHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(C(F)F)c2)C1 ZINC000470772804 339327374 /nfs/dbraw/zinc/32/73/74/339327374.db2.gz LKJIVHLZFPUOKK-INIZCTEOSA-N 2 2 308.416 3.788 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000470772804 339327375 /nfs/dbraw/zinc/32/73/75/339327375.db2.gz LKJIVHLZFPUOKK-INIZCTEOSA-N 2 2 308.416 3.788 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000470772804 339327376 /nfs/dbraw/zinc/32/73/76/339327376.db2.gz LKJIVHLZFPUOKK-INIZCTEOSA-N 2 2 308.416 3.788 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000471622117 339349739 /nfs/dbraw/zinc/34/97/39/339349739.db2.gz XWKVOASNOSHPOF-RVHYNSKXSA-N 2 2 324.468 3.964 20 0 DHADLP CCn1nc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c2ccccc21 ZINC000472069120 339362138 /nfs/dbraw/zinc/36/21/38/339362138.db2.gz SHGATEUSLNCKJX-GOSISDBHSA-N 2 2 316.493 3.512 20 0 DHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153229 339383150 /nfs/dbraw/zinc/38/31/50/339383150.db2.gz UNUVGMINKLAKAX-INIZCTEOSA-N 2 2 320.427 3.928 20 0 DHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153229 339383151 /nfs/dbraw/zinc/38/31/51/339383151.db2.gz UNUVGMINKLAKAX-INIZCTEOSA-N 2 2 320.427 3.928 20 0 DHADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153229 339383152 /nfs/dbraw/zinc/38/31/52/339383152.db2.gz UNUVGMINKLAKAX-INIZCTEOSA-N 2 2 320.427 3.928 20 0 DHADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153229 339383153 /nfs/dbraw/zinc/38/31/53/339383153.db2.gz UNUVGMINKLAKAX-INIZCTEOSA-N 2 2 320.427 3.928 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[NH+]1CCC(C)CC1 ZINC000474048044 339398974 /nfs/dbraw/zinc/39/89/74/339398974.db2.gz VKZBWVABDFYKGA-CABCVRRESA-N 2 2 302.453 3.910 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474898260 339430385 /nfs/dbraw/zinc/43/03/85/339430385.db2.gz WMXAARVPWUDUFX-FRRDWIJNSA-N 2 2 300.899 3.825 20 0 DHADLP CCCC[C@@H](COC)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000479850342 339550422 /nfs/dbraw/zinc/55/04/22/339550422.db2.gz HIBPBDMJYJMZDA-OALUTQOASA-N 2 2 304.478 3.618 20 0 DHADLP C[NH+](C)[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000480087513 339558520 /nfs/dbraw/zinc/55/85/20/339558520.db2.gz XFXIWJVCVIIXKJ-RTWAWAEBSA-N 2 2 308.469 3.900 20 0 DHADLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC000484498039 339688149 /nfs/dbraw/zinc/68/81/49/339688149.db2.gz GQPVICPIBBQHCT-AEFFLSMTSA-N 2 2 306.519 3.700 20 0 DHADLP CC1CC[NH+]([C@@H](C[NH2+]C[C@@H]2CCSC2)c2cccs2)CC1 ZINC000486977721 339741050 /nfs/dbraw/zinc/74/10/50/339741050.db2.gz XMRFVXSMPGNDTC-HOTGVXAUSA-N 2 2 324.559 3.864 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)CC2 ZINC000487916977 339765796 /nfs/dbraw/zinc/76/57/96/339765796.db2.gz QMYIYYMJYVQUNZ-WOJBJXKFSA-N 2 2 317.436 3.772 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000499707150 340043043 /nfs/dbraw/zinc/04/30/43/340043043.db2.gz QTELVYSMTQUYNE-MQYQWHSLSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000499707150 340043044 /nfs/dbraw/zinc/04/30/44/340043044.db2.gz QTELVYSMTQUYNE-MQYQWHSLSA-N 2 2 304.400 3.570 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC[NH+]1CCCC1 ZINC000501384112 340079278 /nfs/dbraw/zinc/07/92/78/340079278.db2.gz WPINVFPDFWANJH-OWBHPGMISA-N 2 2 312.379 3.794 20 0 DHADLP CCc1cc(OC)ccc1C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000501465999 340081617 /nfs/dbraw/zinc/08/16/17/340081617.db2.gz HKAPRZKVXQXBGM-UHFFFAOYSA-N 2 2 323.440 3.706 20 0 DHADLP Cc1ccccc1[C@]1(F)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000502878726 340115400 /nfs/dbraw/zinc/11/54/00/340115400.db2.gz UTZSONVVFXNTNM-MJGOQNOKSA-N 2 2 304.453 3.740 20 0 DHADLP Cc1ccccc1[C@]1(F)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000502878726 340115401 /nfs/dbraw/zinc/11/54/01/340115401.db2.gz UTZSONVVFXNTNM-MJGOQNOKSA-N 2 2 304.453 3.740 20 0 DHADLP Cc1ccccc1[C@]1(F)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000502878726 340115402 /nfs/dbraw/zinc/11/54/02/340115402.db2.gz UTZSONVVFXNTNM-MJGOQNOKSA-N 2 2 304.453 3.740 20 0 DHADLP Cc1ccccc1[C@]1(F)CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000502878726 340115403 /nfs/dbraw/zinc/11/54/03/340115403.db2.gz UTZSONVVFXNTNM-MJGOQNOKSA-N 2 2 304.453 3.740 20 0 DHADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000503572723 340130977 /nfs/dbraw/zinc/13/09/77/340130977.db2.gz HEZCXIAWMBNXHR-MRXNPFEDSA-N 2 2 314.429 3.893 20 0 DHADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000503572723 340130978 /nfs/dbraw/zinc/13/09/78/340130978.db2.gz HEZCXIAWMBNXHR-MRXNPFEDSA-N 2 2 314.429 3.893 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)o1 ZINC000506329366 340192507 /nfs/dbraw/zinc/19/25/07/340192507.db2.gz ZEPSXIJUNAVWEV-MAUKXSAKSA-N 2 2 302.462 3.853 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000507504065 340222971 /nfs/dbraw/zinc/22/29/71/340222971.db2.gz BTAGOKJJPPWMCD-KRWDZBQOSA-N 2 2 323.484 3.743 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000507504065 340222972 /nfs/dbraw/zinc/22/29/72/340222972.db2.gz BTAGOKJJPPWMCD-KRWDZBQOSA-N 2 2 323.484 3.743 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@@H](C)C1 ZINC000507510875 340223286 /nfs/dbraw/zinc/22/32/86/340223286.db2.gz NILNPSBGYRWPJL-IPYPFGDCSA-N 2 2 306.416 3.818 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000300415932 340225530 /nfs/dbraw/zinc/22/55/30/340225530.db2.gz ZMIRJVIBGGUQHT-WBMJQRKESA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000300415932 340225531 /nfs/dbraw/zinc/22/55/31/340225531.db2.gz ZMIRJVIBGGUQHT-WBMJQRKESA-N 2 2 323.278 3.510 20 0 DHADLP CC[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)CC(F)(F)F ZINC000402594295 340245262 /nfs/dbraw/zinc/24/52/62/340245262.db2.gz LNJKIMLCTATZNL-CYBMUJFWSA-N 2 2 315.383 3.619 20 0 DHADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510729247 340308331 /nfs/dbraw/zinc/30/83/31/340308331.db2.gz CRKTXPAHHHITOY-PMUMKWKESA-N 2 2 310.432 3.604 20 0 DHADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510729247 340308332 /nfs/dbraw/zinc/30/83/32/340308332.db2.gz CRKTXPAHHHITOY-PMUMKWKESA-N 2 2 310.432 3.604 20 0 DHADLP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C)ccc1Cl ZINC000510733738 340308567 /nfs/dbraw/zinc/30/85/67/340308567.db2.gz MFXIQKFRWRDNMU-HUUCEWRRSA-N 2 2 312.885 3.736 20 0 DHADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510987879 340317180 /nfs/dbraw/zinc/31/71/80/340317180.db2.gz UBVZSLLAAWHBQJ-OAHLLOKOSA-N 2 2 308.416 3.528 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510987879 340317181 /nfs/dbraw/zinc/31/71/81/340317181.db2.gz UBVZSLLAAWHBQJ-OAHLLOKOSA-N 2 2 308.416 3.528 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C/C(C)=C\c1ccccc1COC ZINC000511048062 340319361 /nfs/dbraw/zinc/31/93/61/340319361.db2.gz WSIDOIAQNPEAPV-MBGNVJMVSA-N 2 2 316.489 3.700 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C/C(C)=C\c1ccccc1COC ZINC000511048062 340319362 /nfs/dbraw/zinc/31/93/62/340319362.db2.gz WSIDOIAQNPEAPV-MBGNVJMVSA-N 2 2 316.489 3.700 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000511648794 340333687 /nfs/dbraw/zinc/33/36/87/340333687.db2.gz NROABCXPNIRKKZ-XILSRCRHSA-N 2 2 304.865 3.658 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000511648794 340333688 /nfs/dbraw/zinc/33/36/88/340333688.db2.gz NROABCXPNIRKKZ-XILSRCRHSA-N 2 2 304.865 3.658 20 0 DHADLP FC(F)(F)c1cccc([C@H]2CCC[C@H]2[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000511891039 340341981 /nfs/dbraw/zinc/34/19/81/340341981.db2.gz PCEOLQDVNUUCAK-HUUCEWRRSA-N 2 2 309.335 3.854 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000512177624 340351026 /nfs/dbraw/zinc/35/10/26/340351026.db2.gz GSMVZVXJHDTWKW-MRXNPFEDSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000512177624 340351027 /nfs/dbraw/zinc/35/10/27/340351027.db2.gz GSMVZVXJHDTWKW-MRXNPFEDSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000512181718 340351186 /nfs/dbraw/zinc/35/11/86/340351186.db2.gz PYSYMURJNLJPEQ-INIZCTEOSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000512181718 340351187 /nfs/dbraw/zinc/35/11/87/340351187.db2.gz PYSYMURJNLJPEQ-INIZCTEOSA-N 2 2 322.443 3.909 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C[N@@H+]1C1CC1 ZINC000512584204 340367985 /nfs/dbraw/zinc/36/79/85/340367985.db2.gz XEYMSFZJXQZXBH-CZUORRHYSA-N 2 2 317.864 3.510 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C[N@H+]1C1CC1 ZINC000512584204 340367986 /nfs/dbraw/zinc/36/79/86/340367986.db2.gz XEYMSFZJXQZXBH-CZUORRHYSA-N 2 2 317.864 3.510 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000512622359 340369478 /nfs/dbraw/zinc/36/94/78/340369478.db2.gz LUMIWDYNCQBHAP-JXXFODFXSA-N 2 2 312.457 3.604 20 0 DHADLP CC1CC[NH+](CCC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000513760208 340423672 /nfs/dbraw/zinc/42/36/72/340423672.db2.gz INUZSBADQWNBGO-GOSISDBHSA-N 2 2 318.509 3.743 20 0 DHADLP C[C@H]([NH2+]Cc1cccc2[nH]ccc21)[C@H](c1ccccc1)[NH+](C)C ZINC000185679807 340504159 /nfs/dbraw/zinc/50/41/59/340504159.db2.gz NVIHXPROSMNBIL-MGPUTAFESA-N 2 2 307.441 3.949 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000237446474 340671110 /nfs/dbraw/zinc/67/11/10/340671110.db2.gz KMLAWWHWXHXSSS-GFCCVEGCSA-N 2 2 308.372 3.655 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000237769659 340673762 /nfs/dbraw/zinc/67/37/62/340673762.db2.gz XVSICMXVZTZTLY-UHFFFAOYSA-N 2 2 304.397 3.616 20 0 DHADLP C[C@@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)C1CC(F)(F)C1 ZINC000529535439 340760369 /nfs/dbraw/zinc/76/03/69/340760369.db2.gz GSZRNOMXJMWLPQ-PBHICJAKSA-N 2 2 308.416 3.847 20 0 DHADLP C[N@@H+]1CCCC12CC[NH+]([C@H]1CCc3ccc(Cl)cc31)CC2 ZINC000542266515 341002587 /nfs/dbraw/zinc/00/25/87/341002587.db2.gz DMUFTXHUWLGTPJ-KRWDZBQOSA-N 2 2 304.865 3.888 20 0 DHADLP C[N@H+]1CCCC12CC[NH+]([C@H]1CCc3ccc(Cl)cc31)CC2 ZINC000542266515 341002588 /nfs/dbraw/zinc/00/25/88/341002588.db2.gz DMUFTXHUWLGTPJ-KRWDZBQOSA-N 2 2 304.865 3.888 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]CCCc2ccsc2)[C@H]1c1ccccc1 ZINC000564256108 341010182 /nfs/dbraw/zinc/01/01/82/341010182.db2.gz OWIDVCRBIVFNQF-QZTJIDSGSA-N 2 2 300.471 3.716 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]CCCc2ccsc2)[C@H]1c1ccccc1 ZINC000564256108 341010183 /nfs/dbraw/zinc/01/01/83/341010183.db2.gz OWIDVCRBIVFNQF-QZTJIDSGSA-N 2 2 300.471 3.716 20 0 DHADLP c1c(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)[nH+]c2n1CCCC2 ZINC000130471138 341022680 /nfs/dbraw/zinc/02/26/80/341022680.db2.gz OLQWILUNNQEFQH-MSOLQXFVSA-N 2 2 309.457 3.688 20 0 DHADLP CC(C)[C@@H](C[NH2+][C@H]1CCCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000543065920 341030256 /nfs/dbraw/zinc/03/02/56/341030256.db2.gz CWVPWJNNMFXMIO-RBUKOAKNSA-N 2 2 318.530 3.555 20 0 DHADLP CC(C)[C@@H](C[NH2+][C@H]1CCCSC1)[N@H+]1CCc2ccccc2C1 ZINC000543065920 341030257 /nfs/dbraw/zinc/03/02/57/341030257.db2.gz CWVPWJNNMFXMIO-RBUKOAKNSA-N 2 2 318.530 3.555 20 0 DHADLP C[N@@H+]1CCCC12CC[NH+]([C@H]1CCc3c1cccc3Cl)CC2 ZINC000543184681 341035838 /nfs/dbraw/zinc/03/58/38/341035838.db2.gz ZJSMWPMWLVWZPR-KRWDZBQOSA-N 2 2 304.865 3.888 20 0 DHADLP C[N@H+]1CCCC12CC[NH+]([C@H]1CCc3c1cccc3Cl)CC2 ZINC000543184681 341035839 /nfs/dbraw/zinc/03/58/39/341035839.db2.gz ZJSMWPMWLVWZPR-KRWDZBQOSA-N 2 2 304.865 3.888 20 0 DHADLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCc3c1cccc3Cl)CC2 ZINC000543184688 341035868 /nfs/dbraw/zinc/03/58/68/341035868.db2.gz ZJSMWPMWLVWZPR-QGZVFWFLSA-N 2 2 304.865 3.888 20 0 DHADLP C[N@H+]1CCCC12CC[NH+]([C@@H]1CCc3c1cccc3Cl)CC2 ZINC000543184688 341035869 /nfs/dbraw/zinc/03/58/69/341035869.db2.gz ZJSMWPMWLVWZPR-QGZVFWFLSA-N 2 2 304.865 3.888 20 0 DHADLP Cc1ccc(C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CC2)cc1 ZINC000130709769 341039868 /nfs/dbraw/zinc/03/98/68/341039868.db2.gz QOLKNKVWDOLKMK-HXUWFJFHSA-N 2 2 319.452 3.796 20 0 DHADLP Fc1ccc(CC[N@H+](CCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000130849054 341049294 /nfs/dbraw/zinc/04/92/94/341049294.db2.gz MVSSJCWVKZIZQS-UHFFFAOYSA-N 2 2 301.409 3.510 20 0 DHADLP Fc1ccc(CC[N@@H+](CCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000130849054 341049295 /nfs/dbraw/zinc/04/92/95/341049295.db2.gz MVSSJCWVKZIZQS-UHFFFAOYSA-N 2 2 301.409 3.510 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H]3c3ccccn3)c2)c[nH+]1 ZINC000544350440 341077350 /nfs/dbraw/zinc/07/73/50/341077350.db2.gz CASNNIUQOUYVJK-KRWDZBQOSA-N 2 2 310.426 3.666 20 0 DHADLP Fc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000544367460 341078538 /nfs/dbraw/zinc/07/85/38/341078538.db2.gz CUJLOYHQRKFIRR-IBGZPJMESA-N 2 2 324.403 3.577 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000544611230 341088807 /nfs/dbraw/zinc/08/88/07/341088807.db2.gz NCUYACYMMGOTGD-LLYBFZRZSA-N 2 2 308.416 3.642 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000544611230 341088808 /nfs/dbraw/zinc/08/88/08/341088808.db2.gz NCUYACYMMGOTGD-LLYBFZRZSA-N 2 2 308.416 3.642 20 0 DHADLP Cc1ccc(CC[N@H+](CCn2cc[nH+]c2)Cc2ccco2)cc1 ZINC000131508395 341092685 /nfs/dbraw/zinc/09/26/85/341092685.db2.gz YWAOAXXOTKCJTQ-UHFFFAOYSA-N 2 2 309.413 3.529 20 0 DHADLP Cc1ccc(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccco2)cc1 ZINC000131508395 341092686 /nfs/dbraw/zinc/09/26/86/341092686.db2.gz YWAOAXXOTKCJTQ-UHFFFAOYSA-N 2 2 309.413 3.529 20 0 DHADLP COc1cc([C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)ccc1SC ZINC000545157130 341110708 /nfs/dbraw/zinc/11/07/08/341110708.db2.gz AJODPZLABRTZEL-OAHLLOKOSA-N 2 2 320.502 3.720 20 0 DHADLP COc1cc([C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)ccc1SC ZINC000545157130 341110709 /nfs/dbraw/zinc/11/07/09/341110709.db2.gz AJODPZLABRTZEL-OAHLLOKOSA-N 2 2 320.502 3.720 20 0 DHADLP c1ccc(NC2CC[NH+](Cc3ccc4ncccc4c3)CC2)[nH+]c1 ZINC000545322584 341121435 /nfs/dbraw/zinc/12/14/35/341121435.db2.gz AWNZEUQGMKLNHQ-UHFFFAOYSA-N 2 2 318.424 3.706 20 0 DHADLP c1ccc([C@@H]2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000133302219 341171188 /nfs/dbraw/zinc/17/11/88/341171188.db2.gz NFJWESBZGIXTSD-QUCCMNQESA-N 2 2 321.468 3.976 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000546689246 341179025 /nfs/dbraw/zinc/17/90/25/341179025.db2.gz VNSPEERVELJGOG-MSOLQXFVSA-N 2 2 312.461 3.683 20 0 DHADLP Clc1cnccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000075713686 341181160 /nfs/dbraw/zinc/18/11/60/341181160.db2.gz OPOPIFBIDJAJDO-INIZCTEOSA-N 2 2 321.896 3.823 20 0 DHADLP Clc1cnccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000075713686 341181161 /nfs/dbraw/zinc/18/11/61/341181161.db2.gz OPOPIFBIDJAJDO-INIZCTEOSA-N 2 2 321.896 3.823 20 0 DHADLP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000236631456 341190464 /nfs/dbraw/zinc/19/04/64/341190464.db2.gz KNNQOKDOQFXRCA-IHPCNDPISA-N 2 2 318.505 3.599 20 0 DHADLP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000236631456 341190465 /nfs/dbraw/zinc/19/04/65/341190465.db2.gz KNNQOKDOQFXRCA-IHPCNDPISA-N 2 2 318.505 3.599 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC000076002344 341195355 /nfs/dbraw/zinc/19/53/55/341195355.db2.gz JPJZUXNRUDUYKO-HNNXBMFYSA-N 2 2 310.482 3.582 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCSc2ccccc2F)C1 ZINC000076002344 341195356 /nfs/dbraw/zinc/19/53/56/341195356.db2.gz JPJZUXNRUDUYKO-HNNXBMFYSA-N 2 2 310.482 3.582 20 0 DHADLP CC[N@H+](CC1CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108465 341201002 /nfs/dbraw/zinc/20/10/02/341201002.db2.gz UTICYXYZPYOHBU-UHFFFAOYSA-N 2 2 301.478 3.810 20 0 DHADLP CC[N@@H+](CC1CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108465 341201003 /nfs/dbraw/zinc/20/10/03/341201003.db2.gz UTICYXYZPYOHBU-UHFFFAOYSA-N 2 2 301.478 3.810 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000548635013 341268255 /nfs/dbraw/zinc/26/82/55/341268255.db2.gz FILIBVJILRFXKF-GDBMZVCRSA-N 2 2 301.821 3.519 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[N@@H+]1C1CC1 ZINC000549936339 341307517 /nfs/dbraw/zinc/30/75/17/341307517.db2.gz LOTDCQSPDVKBSX-TUVASFSCSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[N@H+]1C1CC1 ZINC000549936339 341307518 /nfs/dbraw/zinc/30/75/18/341307518.db2.gz LOTDCQSPDVKBSX-TUVASFSCSA-N 2 2 304.865 3.801 20 0 DHADLP F[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000550319499 341315028 /nfs/dbraw/zinc/31/50/28/341315028.db2.gz CPNPNBVCKJIANA-SJORKVTESA-N 2 2 310.844 3.785 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000550921709 341326856 /nfs/dbraw/zinc/32/68/56/341326856.db2.gz YNKSUEYBAZTNOE-APWZRJJASA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000550921709 341326857 /nfs/dbraw/zinc/32/68/57/341326857.db2.gz YNKSUEYBAZTNOE-APWZRJJASA-N 2 2 315.505 3.708 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551263824 341335935 /nfs/dbraw/zinc/33/59/35/341335935.db2.gz UHUFCBYOHBZLPA-GUYCJALGSA-N 2 2 300.471 3.516 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551263824 341335936 /nfs/dbraw/zinc/33/59/36/341335936.db2.gz UHUFCBYOHBZLPA-GUYCJALGSA-N 2 2 300.471 3.516 20 0 DHADLP CCC1CC([NH2+]C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000551540262 341344861 /nfs/dbraw/zinc/34/48/61/341344861.db2.gz CZRFZFXBHFVSBC-KVWWFHCMSA-N 2 2 302.462 3.610 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000551537560 341344888 /nfs/dbraw/zinc/34/48/88/341344888.db2.gz URMLNCKEUVAWPI-RARDXLECSA-N 2 2 318.505 3.753 20 0 DHADLP CC1(C)CC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000551778580 341351032 /nfs/dbraw/zinc/35/10/32/341351032.db2.gz KAPCQWHNXACETN-JXQTWKCFSA-N 2 2 304.400 3.570 20 0 DHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000552062134 341366151 /nfs/dbraw/zinc/36/61/51/341366151.db2.gz NJNHZQOTWDZFFN-MJGOQNOKSA-N 2 2 301.478 3.593 20 0 DHADLP CCc1ccc([C@H](C[NH2+]C[C@H]2CCCOC2)[NH+](CC)CC)cc1 ZINC000552064488 341366652 /nfs/dbraw/zinc/36/66/52/341366652.db2.gz UDJFEEAHQUKHMI-QUCCMNQESA-N 2 2 318.505 3.648 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)oc21 ZINC000247974814 341371864 /nfs/dbraw/zinc/37/18/64/341371864.db2.gz KKPXYDIWXSXVSC-OFQRWUPVSA-N 2 2 316.445 3.965 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)oc21 ZINC000247974814 341371865 /nfs/dbraw/zinc/37/18/65/341371865.db2.gz KKPXYDIWXSXVSC-OFQRWUPVSA-N 2 2 316.445 3.965 20 0 DHADLP CSCCCCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000248567311 341380132 /nfs/dbraw/zinc/38/01/32/341380132.db2.gz PEYKFVXFVVEMRM-FUHWJXTLSA-N 2 2 306.519 3.945 20 0 DHADLP CSCCCCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000248567311 341380133 /nfs/dbraw/zinc/38/01/33/341380133.db2.gz PEYKFVXFVVEMRM-FUHWJXTLSA-N 2 2 306.519 3.945 20 0 DHADLP CCc1ccc([C@H](C[NH2+]CC[C@H]2CCOC2)[NH+](CC)CC)cc1 ZINC000552278197 341383422 /nfs/dbraw/zinc/38/34/22/341383422.db2.gz VQTAFYFJVKLJKC-ICSRJNTNSA-N 2 2 318.505 3.648 20 0 DHADLP CCc1ccc([C@@H](C[NH2+]CC[C@@H]2CCOC2)[NH+](CC)CC)cc1 ZINC000552278199 341383432 /nfs/dbraw/zinc/38/34/32/341383432.db2.gz VQTAFYFJVKLJKC-UYAOXDASSA-N 2 2 318.505 3.648 20 0 DHADLP CC1CC([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248690696 341384459 /nfs/dbraw/zinc/38/44/59/341384459.db2.gz AWTXYRFDNAYFNL-IHQUEDGZSA-N 2 2 310.844 3.860 20 0 DHADLP CC1CC([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248690696 341384460 /nfs/dbraw/zinc/38/44/60/341384460.db2.gz AWTXYRFDNAYFNL-IHQUEDGZSA-N 2 2 310.844 3.860 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)n1C ZINC000566498398 341560126 /nfs/dbraw/zinc/56/01/26/341560126.db2.gz AERZAVKOZPYYIK-HXUWFJFHSA-N 2 2 319.452 3.845 20 0 DHADLP CC(C)[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000153918445 341581499 /nfs/dbraw/zinc/58/14/99/341581499.db2.gz KUDKULAUTRXGMG-IRXDYDNUSA-N 2 2 304.478 3.521 20 0 DHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C(C)(C)C ZINC000153978886 341582483 /nfs/dbraw/zinc/58/24/83/341582483.db2.gz VVZHMIXPNZCMKI-DLBZAZTESA-N 2 2 318.505 3.911 20 0 DHADLP Clc1ccc(C[NH+]2CCC([NH2+]CCc3ccco3)CC2)cc1 ZINC000155977939 341615726 /nfs/dbraw/zinc/61/57/26/341615726.db2.gz YSSLJNHKEGIKLI-UHFFFAOYSA-N 2 2 318.848 3.730 20 0 DHADLP c1cn(C2CC[NH+](Cc3ncc(-c4ccccc4)s3)CC2)c[nH+]1 ZINC000156414814 341621218 /nfs/dbraw/zinc/62/12/18/341621218.db2.gz HGMHBVZWRVTIAZ-UHFFFAOYSA-N 2 2 324.453 3.844 20 0 DHADLP C[NH2+]C1CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000567865174 341637569 /nfs/dbraw/zinc/63/75/69/341637569.db2.gz JKAWMMGAHCNWOQ-UHFFFAOYSA-N 2 2 301.261 3.610 20 0 DHADLP C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000573934028 341743717 /nfs/dbraw/zinc/74/37/17/341743717.db2.gz OMBPDDAOCSOTPI-YWZLYKJASA-N 2 2 307.441 3.949 20 0 DHADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000574624559 341763994 /nfs/dbraw/zinc/76/39/94/341763994.db2.gz KTQFGVVGZQSPKA-PXNSSMCTSA-N 2 2 309.457 3.819 20 0 DHADLP CCCCCn1cc(C[NH2+]CCCc2c[nH+]ccc2C)c(C)n1 ZINC000576266151 341837034 /nfs/dbraw/zinc/83/70/34/341837034.db2.gz MOYIPQFTBLRYFH-UHFFFAOYSA-N 2 2 314.477 3.808 20 0 DHADLP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367439847 519781839 /nfs/dbraw/zinc/78/18/39/519781839.db2.gz XQIHKDFBHDPEHV-HNNXBMFYSA-N 2 2 313.445 3.857 20 0 DHADLP CC(F)(F)c1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000339419616 520168721 /nfs/dbraw/zinc/16/87/21/520168721.db2.gz LQMYOLUDJHJRFV-UHFFFAOYSA-N 2 2 301.340 3.736 20 0 DHADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180716717 522050407 /nfs/dbraw/zinc/05/04/07/522050407.db2.gz ZIYLITXWZFBJHQ-NSHGMRRFSA-N 2 2 309.457 3.633 20 0 DHADLP CCc1nc2c(s1)[C@@H]([N@@H+](C)CCC[NH+](CC)CC)CCC2 ZINC000338279633 522472142 /nfs/dbraw/zinc/47/21/42/522472142.db2.gz ZUIUMCYVVMGSDE-HNNXBMFYSA-N 2 2 309.523 3.747 20 0 DHADLP CCc1nc2c(s1)[C@@H]([N@H+](C)CCC[NH+](CC)CC)CCC2 ZINC000338279633 522472149 /nfs/dbraw/zinc/47/21/49/522472149.db2.gz ZUIUMCYVVMGSDE-HNNXBMFYSA-N 2 2 309.523 3.747 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+]Cc3cccnc3C)ccc2n1C1CC1 ZINC000338444848 522482446 /nfs/dbraw/zinc/48/24/46/522482446.db2.gz JFAQVGWEDYHWTE-UHFFFAOYSA-N 2 2 320.440 3.927 20 0 DHADLP CC[C@H](NC[C@H](c1ccccc1)[NH+](CC)CC)c1[nH+]ccn1C ZINC000182184105 522630164 /nfs/dbraw/zinc/63/01/64/522630164.db2.gz HZIJFGMVYCDORC-ZWKOTPCHSA-N 2 2 314.477 3.544 20 0 DHADLP C[N@H+](CCCC(C)(C)C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337216782 522723611 /nfs/dbraw/zinc/72/36/11/522723611.db2.gz ZPLFXQVBFKGSBP-ZWKOTPCHSA-N 2 2 303.494 3.833 20 0 DHADLP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337216782 522723623 /nfs/dbraw/zinc/72/36/23/522723623.db2.gz ZPLFXQVBFKGSBP-ZWKOTPCHSA-N 2 2 303.494 3.833 20 0 DHADLP C[NH+](CCCC(C)(C)C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000337216782 522723629 /nfs/dbraw/zinc/72/36/29/522723629.db2.gz ZPLFXQVBFKGSBP-ZWKOTPCHSA-N 2 2 303.494 3.833 20 0 DHADLP C[NH+](CCCC(C)(C)C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000337216782 522723636 /nfs/dbraw/zinc/72/36/36/522723636.db2.gz ZPLFXQVBFKGSBP-ZWKOTPCHSA-N 2 2 303.494 3.833 20 0 DHADLP C[N@H+](Cc1nc2ccccc2o1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000156227538 523566188 /nfs/dbraw/zinc/56/61/88/523566188.db2.gz YZVYPBCFDACSHN-UHFFFAOYSA-N 2 2 318.380 3.646 20 0 DHADLP C[N@@H+](Cc1nc2ccccc2o1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000156227538 523566198 /nfs/dbraw/zinc/56/61/98/523566198.db2.gz YZVYPBCFDACSHN-UHFFFAOYSA-N 2 2 318.380 3.646 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cccnc2)c1 ZINC000366295283 524472574 /nfs/dbraw/zinc/47/25/74/524472574.db2.gz KCQUNNDEJUKUJP-IOMROCGXSA-N 2 2 323.484 3.860 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccnc2)c1 ZINC000366295283 524472579 /nfs/dbraw/zinc/47/25/79/524472579.db2.gz KCQUNNDEJUKUJP-IOMROCGXSA-N 2 2 323.484 3.860 20 0 DHADLP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000364962159 524481348 /nfs/dbraw/zinc/48/13/48/524481348.db2.gz KVPZMBDHZQFFFQ-QHGAOEGBSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000364962159 524481355 /nfs/dbraw/zinc/48/13/55/524481355.db2.gz KVPZMBDHZQFFFQ-QHGAOEGBSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000129822523 524516129 /nfs/dbraw/zinc/51/61/29/524516129.db2.gz XZMINXWYMZFNAI-KGLIPLIRSA-N 2 2 318.490 3.720 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000129822523 524516132 /nfs/dbraw/zinc/51/61/32/524516132.db2.gz XZMINXWYMZFNAI-KGLIPLIRSA-N 2 2 318.490 3.720 20 0 DHADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000337988452 524521008 /nfs/dbraw/zinc/52/10/08/524521008.db2.gz JBRROOBPNOAUHM-KBPBESRZSA-N 2 2 319.399 3.650 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccccc2n1 ZINC000156385625 524706197 /nfs/dbraw/zinc/70/61/97/524706197.db2.gz KKOXUHURLYAART-SFHVURJKSA-N 2 2 319.408 3.592 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccccc2n1 ZINC000156385625 524706204 /nfs/dbraw/zinc/70/62/04/524706204.db2.gz KKOXUHURLYAART-SFHVURJKSA-N 2 2 319.408 3.592 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000265981584 524786576 /nfs/dbraw/zinc/78/65/76/524786576.db2.gz FOZBRRVTIYZTFD-PXNSSMCTSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000265981584 524786586 /nfs/dbraw/zinc/78/65/86/524786586.db2.gz FOZBRRVTIYZTFD-PXNSSMCTSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000265981584 524786593 /nfs/dbraw/zinc/78/65/93/524786593.db2.gz FOZBRRVTIYZTFD-PXNSSMCTSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000265981584 524786604 /nfs/dbraw/zinc/78/66/04/524786604.db2.gz FOZBRRVTIYZTFD-PXNSSMCTSA-N 2 2 309.457 3.567 20 0 DHADLP COc1ccccc1[C@H](CNc1cccc(C)[nH+]1)[NH+]1CCCC1 ZINC000156924521 524794203 /nfs/dbraw/zinc/79/42/03/524794203.db2.gz MRKOQWMTLXHNEP-KRWDZBQOSA-N 2 2 311.429 3.648 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157540708 524856338 /nfs/dbraw/zinc/85/63/38/524856338.db2.gz QEQAJEGOHOTUSC-BLLLJJGKSA-N 2 2 303.837 3.590 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157540708 524856348 /nfs/dbraw/zinc/85/63/48/524856348.db2.gz QEQAJEGOHOTUSC-BLLLJJGKSA-N 2 2 303.837 3.590 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000265981586 525247942 /nfs/dbraw/zinc/24/79/42/525247942.db2.gz FOZBRRVTIYZTFD-XLIONFOSSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000265981586 525247952 /nfs/dbraw/zinc/24/79/52/525247952.db2.gz FOZBRRVTIYZTFD-XLIONFOSSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000265981586 525247959 /nfs/dbraw/zinc/24/79/59/525247959.db2.gz FOZBRRVTIYZTFD-XLIONFOSSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000265981586 525247970 /nfs/dbraw/zinc/24/79/70/525247970.db2.gz FOZBRRVTIYZTFD-XLIONFOSSA-N 2 2 309.457 3.567 20 0 DHADLP Cc1cc(NCc2ccccc2Cn2cc[nH+]c2)nc(C2CC2)[nH+]1 ZINC000265331662 525280737 /nfs/dbraw/zinc/28/07/37/525280737.db2.gz GPNJXTZADDFJJQ-UHFFFAOYSA-N 2 2 319.412 3.519 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccncc1F ZINC000338024040 525296955 /nfs/dbraw/zinc/29/69/55/525296955.db2.gz YBGVIJLOBMFKMF-AWEZNQCLSA-N 2 2 305.441 3.668 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cncs1 ZINC000167855731 525309608 /nfs/dbraw/zinc/30/96/08/525309608.db2.gz IELKHCUXHBSZSB-KBPBESRZSA-N 2 2 303.475 3.923 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339431709 525369590 /nfs/dbraw/zinc/36/95/90/525369590.db2.gz ABWLIPGRVWODOP-SFHVURJKSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339431709 525369595 /nfs/dbraw/zinc/36/95/95/525369595.db2.gz ABWLIPGRVWODOP-SFHVURJKSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339431709 525369605 /nfs/dbraw/zinc/36/96/05/525369605.db2.gz ABWLIPGRVWODOP-SFHVURJKSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339431709 525369614 /nfs/dbraw/zinc/36/96/14/525369614.db2.gz ABWLIPGRVWODOP-SFHVURJKSA-N 2 2 324.415 3.514 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000367617052 525386685 /nfs/dbraw/zinc/38/66/85/525386685.db2.gz PPLNNMQLDOXGNR-PBHICJAKSA-N 2 2 312.461 3.506 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1Br ZINC000129437670 525616253 /nfs/dbraw/zinc/61/62/53/525616253.db2.gz MBLOVHQFSMSVGI-AGIUHOORSA-N 2 2 311.267 3.582 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Br ZINC000129437670 525616263 /nfs/dbraw/zinc/61/62/63/525616263.db2.gz MBLOVHQFSMSVGI-AGIUHOORSA-N 2 2 311.267 3.582 20 0 DHADLP Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000189890311 525781756 /nfs/dbraw/zinc/78/17/56/525781756.db2.gz KWWNCUPOMSBMHC-UZLBHIALSA-N 2 2 321.424 3.565 20 0 DHADLP C[C@@H](c1ccc(Br)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181092764 526037580 /nfs/dbraw/zinc/03/75/80/526037580.db2.gz WAVCUDNKSMDVEX-ZDUSSCGKSA-N 2 2 322.250 3.729 20 0 DHADLP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181092764 526037586 /nfs/dbraw/zinc/03/75/86/526037586.db2.gz WAVCUDNKSMDVEX-ZDUSSCGKSA-N 2 2 322.250 3.729 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189179949 526160467 /nfs/dbraw/zinc/16/04/67/526160467.db2.gz VSKRJDJMZUKGQN-APWZRJJASA-N 2 2 313.489 3.919 20 0 DHADLP FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000337997266 526285081 /nfs/dbraw/zinc/28/50/81/526285081.db2.gz QADLDIXTAOUVIS-RBUKOAKNSA-N 2 2 315.436 3.939 20 0 DHADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000182355205 526369259 /nfs/dbraw/zinc/36/92/59/526369259.db2.gz PSQNNQIMSFCXKJ-SFHVURJKSA-N 2 2 322.387 3.574 20 0 DHADLP c1cn(-c2ncccc2C[NH2+][C@@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000180010360 526528069 /nfs/dbraw/zinc/52/80/69/526528069.db2.gz QFXFQQUEPVNQRL-SFHVURJKSA-N 2 2 304.397 3.508 20 0 DHADLP c1coc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc2)c1 ZINC000364930328 526569833 /nfs/dbraw/zinc/56/98/33/526569833.db2.gz GGGGRWNQFRHXGN-HXUWFJFHSA-N 2 2 321.424 3.734 20 0 DHADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000366288479 527164244 /nfs/dbraw/zinc/16/42/44/527164244.db2.gz VBQSVUBOIUYGOJ-UHFFFAOYSA-N 2 2 324.403 3.716 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337989272 527170289 /nfs/dbraw/zinc/17/02/89/527170289.db2.gz PAOMRKCAGNIFKG-HZPDHXFCSA-N 2 2 303.425 3.853 20 0 DHADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328622376 527417199 /nfs/dbraw/zinc/41/71/99/527417199.db2.gz BGCGGGJHKWUTQB-NEWSRXKRSA-N 2 2 301.478 3.799 20 0 DHADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328622376 527417207 /nfs/dbraw/zinc/41/72/07/527417207.db2.gz BGCGGGJHKWUTQB-NEWSRXKRSA-N 2 2 301.478 3.799 20 0 DHADLP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000365039024 527662458 /nfs/dbraw/zinc/66/24/58/527662458.db2.gz FRSNMEPDZODVLM-ROKHWSDSSA-N 2 2 315.383 3.958 20 0 DHADLP FC(F)(F)C1CCC(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000365039024 527662459 /nfs/dbraw/zinc/66/24/59/527662459.db2.gz FRSNMEPDZODVLM-ROKHWSDSSA-N 2 2 315.383 3.958 20 0 DHADLP FC(F)(F)c1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265487641 527684884 /nfs/dbraw/zinc/68/48/84/527684884.db2.gz MGESQBAJUKGDMN-UHFFFAOYSA-N 2 2 309.335 3.808 20 0 DHADLP CC(C)n1nccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000369555254 535147066 /nfs/dbraw/zinc/14/70/66/535147066.db2.gz ALCFEMWHLSXUMJ-MSOLQXFVSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1nccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000369555254 535147070 /nfs/dbraw/zinc/14/70/70/535147070.db2.gz ALCFEMWHLSXUMJ-MSOLQXFVSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1nccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000369555254 535147075 /nfs/dbraw/zinc/14/70/75/535147075.db2.gz ALCFEMWHLSXUMJ-MSOLQXFVSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1nccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000369555254 535147078 /nfs/dbraw/zinc/14/70/78/535147078.db2.gz ALCFEMWHLSXUMJ-MSOLQXFVSA-N 2 2 318.509 3.550 20 0 DHADLP C[NH+](C)CCc1ccccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000275593963 535931789 /nfs/dbraw/zinc/93/17/89/535931789.db2.gz JWBXXBMQRZTBKN-UHFFFAOYSA-N 2 2 320.440 3.589 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000292897179 1013068637 /nfs/dbraw/zinc/06/86/37/1013068637.db2.gz VSVAOYVVYFNXRI-WBVHZDCISA-N 2 2 303.494 3.682 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000292897179 1013068652 /nfs/dbraw/zinc/06/86/52/1013068652.db2.gz VSVAOYVVYFNXRI-WBVHZDCISA-N 2 2 303.494 3.682 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000292897179 1013068667 /nfs/dbraw/zinc/06/86/67/1013068667.db2.gz VSVAOYVVYFNXRI-WBVHZDCISA-N 2 2 303.494 3.682 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000292897179 1013068681 /nfs/dbraw/zinc/06/86/81/1013068681.db2.gz VSVAOYVVYFNXRI-WBVHZDCISA-N 2 2 303.494 3.682 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CCCO2 ZINC000163798401 1013205051 /nfs/dbraw/zinc/20/50/51/1013205051.db2.gz LGJZWFJDZPQKOH-MRXNPFEDSA-N 2 2 315.392 3.526 20 0 DHADLP COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155128073 1013232274 /nfs/dbraw/zinc/23/22/74/1013232274.db2.gz OFDUOCJNYXHYIP-HUUCEWRRSA-N 2 2 301.434 3.727 20 0 DHADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(F)c1F ZINC001167965682 1013272419 /nfs/dbraw/zinc/27/24/19/1013272419.db2.gz KNOSKURPIDYNCE-ALOPSCKCSA-N 2 2 320.427 3.768 20 0 DHADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(F)c1F ZINC001167965682 1013272427 /nfs/dbraw/zinc/27/24/27/1013272427.db2.gz KNOSKURPIDYNCE-ALOPSCKCSA-N 2 2 320.427 3.768 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl)C[NH+](C)C ZINC000388674892 1013389226 /nfs/dbraw/zinc/38/92/26/1013389226.db2.gz QTUYVLCQOMEMFU-UWVGGRQHSA-N 2 2 307.240 3.981 20 0 DHADLP [NH3+][C@@H](CC(F)F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306726489 1013567032 /nfs/dbraw/zinc/56/70/32/1013567032.db2.gz LYEUYGOFYQTRSL-KRWDZBQOSA-N 2 2 304.384 3.671 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2ccccc2c1 ZINC000655683570 1013640579 /nfs/dbraw/zinc/64/05/79/1013640579.db2.gz HNQXDYRGNSUMNQ-KKSFZXQISA-N 2 2 324.468 3.744 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2ccccc2c1 ZINC000655683568 1013640953 /nfs/dbraw/zinc/64/09/53/1013640953.db2.gz HNQXDYRGNSUMNQ-IERDGZPVSA-N 2 2 324.468 3.744 20 0 DHADLP CC(C)(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655688308 1013641094 /nfs/dbraw/zinc/64/10/94/1013641094.db2.gz WQNRLBAEEGOBOK-OALUTQOASA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655683891 1013642006 /nfs/dbraw/zinc/64/20/06/1013642006.db2.gz XBIOHGNOBCRPOI-WOJBJXKFSA-N 2 2 316.489 3.617 20 0 DHADLP C[C@H]([NH2+]Cc1cc(O)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000625320246 1013663070 /nfs/dbraw/zinc/66/30/70/1013663070.db2.gz XHWGKSXGBZUYGS-KBPBESRZSA-N 2 2 322.880 3.788 20 0 DHADLP C[C@H]([NH2+]Cc1cc(O)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000625320246 1013663073 /nfs/dbraw/zinc/66/30/73/1013663073.db2.gz XHWGKSXGBZUYGS-KBPBESRZSA-N 2 2 322.880 3.788 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655721148 1013664232 /nfs/dbraw/zinc/66/42/32/1013664232.db2.gz LRUAYDATESWTAY-KDOFPFPSSA-N 2 2 321.428 3.563 20 0 DHADLP Clc1ccccc1-c1ccc(C[NH2+]CCC[NH+]2CCC2)o1 ZINC000655755002 1013692430 /nfs/dbraw/zinc/69/24/30/1013692430.db2.gz KYJDBZJCCAPHOC-UHFFFAOYSA-N 2 2 304.821 3.785 20 0 DHADLP C[C@@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000655839866 1013764430 /nfs/dbraw/zinc/76/44/30/1013764430.db2.gz XJGJYJDHOVFRMF-QGPMSJSTSA-N 2 2 313.445 3.869 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnn(C2CCCC2)c1 ZINC000655849461 1013775758 /nfs/dbraw/zinc/77/57/58/1013775758.db2.gz VHPHMNVGHZYUCO-IPELMVKDSA-N 2 2 316.493 3.666 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn(C2CCCC2)c1 ZINC000655849461 1013775761 /nfs/dbraw/zinc/77/57/61/1013775761.db2.gz VHPHMNVGHZYUCO-IPELMVKDSA-N 2 2 316.493 3.666 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)cc1 ZINC000655848156 1013773137 /nfs/dbraw/zinc/77/31/37/1013773137.db2.gz GFFUXQXZUCONQI-JQFCIGGWSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)cc1 ZINC000655848156 1013773142 /nfs/dbraw/zinc/77/31/42/1013773142.db2.gz GFFUXQXZUCONQI-JQFCIGGWSA-N 2 2 324.415 3.956 20 0 DHADLP Fc1ccccc1C1CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655848122 1013773639 /nfs/dbraw/zinc/77/36/39/1013773639.db2.gz BVEZYILRVAZJAN-FUICEZJUSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccccc1C1CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655848122 1013773644 /nfs/dbraw/zinc/77/36/44/1013773644.db2.gz BVEZYILRVAZJAN-FUICEZJUSA-N 2 2 302.437 3.678 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cccn2)cc1 ZINC000655848189 1013773709 /nfs/dbraw/zinc/77/37/09/1013773709.db2.gz GRHHPKQHFMGZQV-PWIZWCRZSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(-n2cccn2)cc1 ZINC000655848189 1013773713 /nfs/dbraw/zinc/77/37/13/1013773713.db2.gz GRHHPKQHFMGZQV-PWIZWCRZSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000655850066 1013777235 /nfs/dbraw/zinc/77/72/35/1013777235.db2.gz CVSDAZUWUMBHSP-SIRPWMCASA-N 2 2 304.503 3.847 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)F)cc1 ZINC000655848157 1013774137 /nfs/dbraw/zinc/77/41/37/1013774137.db2.gz GFFUXQXZUCONQI-RRQGHBQHSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(OC(F)F)cc1 ZINC000655848157 1013774142 /nfs/dbraw/zinc/77/41/42/1013774142.db2.gz GFFUXQXZUCONQI-RRQGHBQHSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000655850066 1013777240 /nfs/dbraw/zinc/77/72/40/1013777240.db2.gz CVSDAZUWUMBHSP-SIRPWMCASA-N 2 2 304.503 3.847 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc2cccnc12 ZINC000655856044 1013786692 /nfs/dbraw/zinc/78/66/92/1013786692.db2.gz LDEWVHXVRKBIMM-RBUKOAKNSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc2cccnc12 ZINC000655856044 1013786699 /nfs/dbraw/zinc/78/66/99/1013786699.db2.gz LDEWVHXVRKBIMM-RBUKOAKNSA-N 2 2 309.457 3.650 20 0 DHADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccncc1F ZINC000340525246 1013917080 /nfs/dbraw/zinc/91/70/80/1013917080.db2.gz KLHPPWBDNGLRPN-JKSUJKDBSA-N 2 2 315.436 3.782 20 0 DHADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccncc1F ZINC000340525246 1013917084 /nfs/dbraw/zinc/91/70/84/1013917084.db2.gz KLHPPWBDNGLRPN-JKSUJKDBSA-N 2 2 315.436 3.782 20 0 DHADLP Clc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)s1 ZINC000312613126 1013921260 /nfs/dbraw/zinc/92/12/60/1013921260.db2.gz MJWBAWBQZCPBAS-SECBINFHSA-N 2 2 305.274 3.629 20 0 DHADLP Clc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Cl)s1 ZINC000312613126 1013921263 /nfs/dbraw/zinc/92/12/63/1013921263.db2.gz MJWBAWBQZCPBAS-SECBINFHSA-N 2 2 305.274 3.629 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)c1 ZINC000580127609 1014040172 /nfs/dbraw/zinc/04/01/72/1014040172.db2.gz UEJDHNUURPVFMY-YVNUBYTISA-N 2 2 320.427 3.817 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)c1 ZINC000580127609 1014040173 /nfs/dbraw/zinc/04/01/73/1014040173.db2.gz UEJDHNUURPVFMY-YVNUBYTISA-N 2 2 320.427 3.817 20 0 DHADLP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)oc1C ZINC001204532272 1014083075 /nfs/dbraw/zinc/08/30/75/1014083075.db2.gz CNYFXBGJFUTWOO-IBGZPJMESA-N 2 2 312.457 3.850 20 0 DHADLP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)oc1C ZINC001204532272 1014083081 /nfs/dbraw/zinc/08/30/81/1014083081.db2.gz CNYFXBGJFUTWOO-IBGZPJMESA-N 2 2 312.457 3.850 20 0 DHADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)oc1C ZINC001204532272 1014083084 /nfs/dbraw/zinc/08/30/84/1014083084.db2.gz CNYFXBGJFUTWOO-IBGZPJMESA-N 2 2 312.457 3.850 20 0 DHADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)oc1C ZINC001204532272 1014083088 /nfs/dbraw/zinc/08/30/88/1014083088.db2.gz CNYFXBGJFUTWOO-IBGZPJMESA-N 2 2 312.457 3.850 20 0 DHADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000013734497 1014132561 /nfs/dbraw/zinc/13/25/61/1014132561.db2.gz TZZWQYRLDJPOGA-UHFFFAOYSA-N 2 2 304.409 3.907 20 0 DHADLP Clc1ccccc1C1([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000651974566 1014249984 /nfs/dbraw/zinc/24/99/84/1014249984.db2.gz IAUYKRDQVKIREB-GJZGRUSLSA-N 2 2 304.865 3.936 20 0 DHADLP Clc1ccccc1C1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000651974566 1014249991 /nfs/dbraw/zinc/24/99/91/1014249991.db2.gz IAUYKRDQVKIREB-GJZGRUSLSA-N 2 2 304.865 3.936 20 0 DHADLP CCc1onc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001167424151 1014254205 /nfs/dbraw/zinc/25/42/05/1014254205.db2.gz CHIWBTFZMWTQFS-DOTOQJQBSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1onc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001167424151 1014254214 /nfs/dbraw/zinc/25/42/14/1014254214.db2.gz CHIWBTFZMWTQFS-DOTOQJQBSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1onc(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001167424151 1014254221 /nfs/dbraw/zinc/25/42/21/1014254221.db2.gz CHIWBTFZMWTQFS-DOTOQJQBSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1onc(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001167424151 1014254224 /nfs/dbraw/zinc/25/42/24/1014254224.db2.gz CHIWBTFZMWTQFS-DOTOQJQBSA-N 2 2 319.493 3.632 20 0 DHADLP C[C@H]1CC([NH2+]Cc2ccccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005149 1014393364 /nfs/dbraw/zinc/39/33/64/1014393364.db2.gz GWRQWJMOPXGJTB-IRXDYDNUSA-N 2 2 309.457 3.613 20 0 DHADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccco2)s1 ZINC000349359698 1014472443 /nfs/dbraw/zinc/47/24/43/1014472443.db2.gz ZPOSBCCTHDTSKM-UHFFFAOYSA-N 2 2 319.474 3.711 20 0 DHADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccco2)s1 ZINC000349359698 1014472447 /nfs/dbraw/zinc/47/24/47/1014472447.db2.gz ZPOSBCCTHDTSKM-UHFFFAOYSA-N 2 2 319.474 3.711 20 0 DHADLP C[NH+](C)CCc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000665212224 1014487877 /nfs/dbraw/zinc/48/78/77/1014487877.db2.gz SWEVOSZVPYDHHC-UHFFFAOYSA-N 2 2 305.425 3.703 20 0 DHADLP CCO[C@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895132736 1014511676 /nfs/dbraw/zinc/51/16/76/1014511676.db2.gz ZAUUGZPHFLMZJG-XSLAGTTESA-N 2 2 317.477 3.506 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc12 ZINC000427849790 1014536171 /nfs/dbraw/zinc/53/61/71/1014536171.db2.gz GMTZFMDJYAXVEL-LSDHHAIUSA-N 2 2 321.424 3.711 20 0 DHADLP Fc1ccccc1[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000427844792 1014536864 /nfs/dbraw/zinc/53/68/64/1014536864.db2.gz DKGXZLROGOSKMU-HNAYVOBHSA-N 2 2 313.420 3.858 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000427855253 1014538452 /nfs/dbraw/zinc/53/84/52/1014538452.db2.gz CJYSDUHWINZJRE-PWSUYJOCSA-N 2 2 310.228 3.856 20 0 DHADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000427874795 1014538857 /nfs/dbraw/zinc/53/88/57/1014538857.db2.gz IKOZFKAVXOIXKN-NVXWUHKLSA-N 2 2 303.837 3.838 20 0 DHADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427877192 1014542760 /nfs/dbraw/zinc/54/27/60/1014542760.db2.gz OBHKNWWORWDIOP-NEPJUHHUSA-N 2 2 309.866 3.524 20 0 DHADLP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427879424 1014542822 /nfs/dbraw/zinc/54/28/22/1014542822.db2.gz SPGIFBAVRVSASZ-UKPHBRMFSA-N 2 2 315.848 3.777 20 0 DHADLP C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427887403 1014547409 /nfs/dbraw/zinc/54/74/09/1014547409.db2.gz AWYPUXUVSSMKLK-MOAASNJQSA-N 2 2 313.489 3.783 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2)o1 ZINC000427888191 1014548222 /nfs/dbraw/zinc/54/82/22/1014548222.db2.gz VZDPKTHXRTWNQC-ZBFHGGJFSA-N 2 2 307.397 3.809 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccs1 ZINC000665253209 1014568126 /nfs/dbraw/zinc/56/81/26/1014568126.db2.gz KKVIKKPHXIYPLA-DAXOMENPSA-N 2 2 304.434 3.684 20 0 DHADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(-c2ccccc2F)s1 ZINC000665277316 1014651048 /nfs/dbraw/zinc/65/10/48/1014651048.db2.gz ZBQATXDERWBGOG-WHENESEISA-N 2 2 316.445 3.957 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)o1 ZINC000067250194 1014666821 /nfs/dbraw/zinc/66/68/21/1014666821.db2.gz MUGWDFPQRQKVHL-WMLDXEAASA-N 2 2 307.397 3.879 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514469 1014718488 /nfs/dbraw/zinc/71/84/88/1014718488.db2.gz ZWMDGZMTAHYXFW-MAUKXSAKSA-N 2 2 314.429 3.844 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514469 1014718494 /nfs/dbraw/zinc/71/84/94/1014718494.db2.gz ZWMDGZMTAHYXFW-MAUKXSAKSA-N 2 2 314.429 3.844 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514469 1014718507 /nfs/dbraw/zinc/71/85/07/1014718507.db2.gz ZWMDGZMTAHYXFW-MAUKXSAKSA-N 2 2 314.429 3.844 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514469 1014718519 /nfs/dbraw/zinc/71/85/19/1014718519.db2.gz ZWMDGZMTAHYXFW-MAUKXSAKSA-N 2 2 314.429 3.844 20 0 DHADLP CC[N@H+](C)CC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442781737 1014729406 /nfs/dbraw/zinc/72/94/06/1014729406.db2.gz PWGGKQSLXHCUAX-HOCLYGCPSA-N 2 2 314.395 3.883 20 0 DHADLP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442781737 1014729411 /nfs/dbraw/zinc/72/94/11/1014729411.db2.gz PWGGKQSLXHCUAX-HOCLYGCPSA-N 2 2 314.395 3.883 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000442785123 1014732233 /nfs/dbraw/zinc/73/22/33/1014732233.db2.gz UAAQHJFNNKPOQG-DZGCQCFKSA-N 2 2 315.486 3.542 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000442785123 1014732237 /nfs/dbraw/zinc/73/22/37/1014732237.db2.gz UAAQHJFNNKPOQG-DZGCQCFKSA-N 2 2 315.486 3.542 20 0 DHADLP Cc1c[nH+]c(CNc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1C ZINC000341147413 1014930214 /nfs/dbraw/zinc/93/02/14/1014930214.db2.gz OTGXVGFQRVWTJX-HNNXBMFYSA-N 2 2 312.461 3.573 20 0 DHADLP Cc1c[nH+]c(CNc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1C ZINC000341147413 1014930221 /nfs/dbraw/zinc/93/02/21/1014930221.db2.gz OTGXVGFQRVWTJX-HNNXBMFYSA-N 2 2 312.461 3.573 20 0 DHADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000090185600 1015017080 /nfs/dbraw/zinc/01/70/80/1015017080.db2.gz NNQXRJBEWDBOAS-FQEVSTJZSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000090185600 1015017091 /nfs/dbraw/zinc/01/70/91/1015017091.db2.gz NNQXRJBEWDBOAS-FQEVSTJZSA-N 2 2 323.484 3.575 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](C/C=C\c2ccccc2OC)CC1 ZINC000895828711 1015324060 /nfs/dbraw/zinc/32/40/60/1015324060.db2.gz XTITTYGEROHIAY-TWGQIWQCSA-N 2 2 314.473 3.659 20 0 DHADLP COc1cccc([C@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000081668655 1015402953 /nfs/dbraw/zinc/40/29/53/1015402953.db2.gz WLFTXKBSJXAQSW-INIZCTEOSA-N 2 2 302.462 3.707 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000341588045 1015559070 /nfs/dbraw/zinc/55/90/70/1015559070.db2.gz PNOZFCYBAFLGOS-GJZGRUSLSA-N 2 2 300.368 3.754 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000341588045 1015559078 /nfs/dbraw/zinc/55/90/78/1015559078.db2.gz PNOZFCYBAFLGOS-GJZGRUSLSA-N 2 2 300.368 3.754 20 0 DHADLP Fc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C(F)F ZINC000891726259 1015570735 /nfs/dbraw/zinc/57/07/35/1015570735.db2.gz YBQHIZPVNZVLHQ-LBPRGKRZSA-N 2 2 309.335 3.866 20 0 DHADLP Fc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C(F)F ZINC000891726259 1015570742 /nfs/dbraw/zinc/57/07/42/1015570742.db2.gz YBQHIZPVNZVLHQ-LBPRGKRZSA-N 2 2 309.335 3.866 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000361839828 1032120883 /nfs/dbraw/zinc/12/08/83/1032120883.db2.gz MMJDYPSEZXORJQ-HUUCEWRRSA-N 2 2 301.459 3.507 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000361839828 1032120893 /nfs/dbraw/zinc/12/08/93/1032120893.db2.gz MMJDYPSEZXORJQ-HUUCEWRRSA-N 2 2 301.459 3.507 20 0 DHADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000639376627 1015653452 /nfs/dbraw/zinc/65/34/52/1015653452.db2.gz RWTMNCGEHYYWDA-UHFFFAOYSA-N 2 2 307.507 3.600 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000361839829 1032122140 /nfs/dbraw/zinc/12/21/40/1032122140.db2.gz MMJDYPSEZXORJQ-LSDHHAIUSA-N 2 2 301.459 3.507 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000361839829 1032122137 /nfs/dbraw/zinc/12/21/37/1032122137.db2.gz MMJDYPSEZXORJQ-LSDHHAIUSA-N 2 2 301.459 3.507 20 0 DHADLP CSCc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000891843849 1015675183 /nfs/dbraw/zinc/67/51/83/1015675183.db2.gz CNMYWSDYJONNBY-UHFFFAOYSA-N 2 2 301.459 3.652 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1cccnc1 ZINC000896723302 1015714909 /nfs/dbraw/zinc/71/49/09/1015714909.db2.gz RWSXRJLQAMKJQD-KBWCOIMZSA-N 2 2 323.484 3.784 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341760005 1015724997 /nfs/dbraw/zinc/72/49/97/1015724997.db2.gz XITVKGSDZROZJF-HOCLYGCPSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341760005 1015725000 /nfs/dbraw/zinc/72/50/00/1015725000.db2.gz XITVKGSDZROZJF-HOCLYGCPSA-N 2 2 308.853 3.628 20 0 DHADLP CS[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000361861301 1032134580 /nfs/dbraw/zinc/13/45/80/1032134580.db2.gz YXFSXWYGTGILJN-GOSISDBHSA-N 2 2 315.486 3.898 20 0 DHADLP CS[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000361861301 1032134584 /nfs/dbraw/zinc/13/45/84/1032134584.db2.gz YXFSXWYGTGILJN-GOSISDBHSA-N 2 2 315.486 3.898 20 0 DHADLP CC[N@H+](Cc1ccncc1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361865825 1032135522 /nfs/dbraw/zinc/13/55/22/1032135522.db2.gz QGFFWDVGSCLYRF-UHFFFAOYSA-N 2 2 306.413 3.598 20 0 DHADLP CC[N@@H+](Cc1ccncc1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361865825 1032135526 /nfs/dbraw/zinc/13/55/26/1032135526.db2.gz QGFFWDVGSCLYRF-UHFFFAOYSA-N 2 2 306.413 3.598 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152234271 1016425052 /nfs/dbraw/zinc/42/50/52/1016425052.db2.gz WDWMBQVQJVKQKP-HNNXBMFYSA-N 2 2 307.397 3.732 20 0 DHADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000346627706 1016488310 /nfs/dbraw/zinc/48/83/10/1016488310.db2.gz AAQFMUABUPVTIZ-ONGXEEELSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000346627706 1016488314 /nfs/dbraw/zinc/48/83/14/1016488314.db2.gz AAQFMUABUPVTIZ-ONGXEEELSA-N 2 2 306.759 3.528 20 0 DHADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C[C@H]12 ZINC000346862020 1016603480 /nfs/dbraw/zinc/60/34/80/1016603480.db2.gz WIKWGZKIMZRDRZ-LJWDBELGSA-N 2 2 318.770 3.528 20 0 DHADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C[C@H]12 ZINC000346862020 1016603484 /nfs/dbraw/zinc/60/34/84/1016603484.db2.gz WIKWGZKIMZRDRZ-LJWDBELGSA-N 2 2 318.770 3.528 20 0 DHADLP C[N@H+](Cc1c(Cl)oc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347014944 1016685964 /nfs/dbraw/zinc/68/59/64/1016685964.db2.gz AUXMROIIIIIEGH-FUNVUKJBSA-N 2 2 304.821 3.801 20 0 DHADLP C[N@@H+](Cc1c(Cl)oc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347014944 1016685973 /nfs/dbraw/zinc/68/59/73/1016685973.db2.gz AUXMROIIIIIEGH-FUNVUKJBSA-N 2 2 304.821 3.801 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000347010119 1016686840 /nfs/dbraw/zinc/68/68/40/1016686840.db2.gz FZALCEINQWIVCE-GXTWGEPZSA-N 2 2 319.449 3.508 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000347010119 1016686848 /nfs/dbraw/zinc/68/68/48/1016686848.db2.gz FZALCEINQWIVCE-GXTWGEPZSA-N 2 2 319.449 3.508 20 0 DHADLP CO[C@H](c1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1)[C@@H](C)[NH3+] ZINC000629741912 1016690349 /nfs/dbraw/zinc/69/03/49/1016690349.db2.gz HLIKSOARJILYBZ-QRWLVFNGSA-N 2 2 321.424 3.633 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000337828344 1016764446 /nfs/dbraw/zinc/76/44/46/1016764446.db2.gz URYBYNUUYPMFCE-FQEVSTJZSA-N 2 2 323.484 3.780 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000337828344 1016764459 /nfs/dbraw/zinc/76/44/59/1016764459.db2.gz URYBYNUUYPMFCE-FQEVSTJZSA-N 2 2 323.484 3.780 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC1(C)C ZINC000623344567 1016975915 /nfs/dbraw/zinc/97/59/15/1016975915.db2.gz TUYNDXZXOIUDEQ-ZDUSSCGKSA-N 2 2 316.367 3.548 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC1(C)C ZINC000623344567 1016975927 /nfs/dbraw/zinc/97/59/27/1016975927.db2.gz TUYNDXZXOIUDEQ-ZDUSSCGKSA-N 2 2 316.367 3.548 20 0 DHADLP Clc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000192685295 1016981924 /nfs/dbraw/zinc/98/19/24/1016981924.db2.gz YLLXYLDZBWEZIR-SFHVURJKSA-N 2 2 311.816 3.916 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)s1 ZINC000152743457 1016985715 /nfs/dbraw/zinc/98/57/15/1016985715.db2.gz VHZFEMNBNGGLDR-CYBMUJFWSA-N 2 2 303.475 3.791 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1Cl ZINC000152757459 1016990331 /nfs/dbraw/zinc/99/03/31/1016990331.db2.gz UGQZRHBJTYBPIN-LBPRGKRZSA-N 2 2 321.827 3.905 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c(Cl)c1 ZINC000152786146 1017008691 /nfs/dbraw/zinc/00/86/91/1017008691.db2.gz OSWGOEGYVARAIN-LBPRGKRZSA-N 2 2 321.827 3.905 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152827329 1017023311 /nfs/dbraw/zinc/02/33/11/1017023311.db2.gz GFCPRMLRKLWHGD-HNNXBMFYSA-N 2 2 313.445 3.511 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000152808567 1017026118 /nfs/dbraw/zinc/02/61/18/1017026118.db2.gz IQYUAAATKKJVMK-CYBMUJFWSA-N 2 2 303.837 3.766 20 0 DHADLP CC(C)C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000361970388 1032178040 /nfs/dbraw/zinc/17/80/40/1032178040.db2.gz WUZMETPTRKDXJW-ZWKOTPCHSA-N 2 2 306.519 3.801 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000362124148 1032240022 /nfs/dbraw/zinc/24/00/22/1032240022.db2.gz JFEOLXQOCQEHSJ-UHFFFAOYSA-N 2 2 311.351 3.646 20 0 DHADLP Cc1[nH+]c2ccc(-n3cc4ccc(C[NH3+])cc4n3)cc2n1C(C)C ZINC001171324947 1032381023 /nfs/dbraw/zinc/38/10/23/1032381023.db2.gz QHVPGDFVRRWESP-UHFFFAOYSA-N 2 2 319.412 3.723 20 0 DHADLP CC(C)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000090234508 1032392581 /nfs/dbraw/zinc/39/25/81/1032392581.db2.gz DXAUAKOCRNYENE-MJGOQNOKSA-N 2 2 315.505 3.708 20 0 DHADLP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000090234508 1032392585 /nfs/dbraw/zinc/39/25/85/1032392585.db2.gz DXAUAKOCRNYENE-MJGOQNOKSA-N 2 2 315.505 3.708 20 0 DHADLP Cc1ncccc1C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121801969 1032481489 /nfs/dbraw/zinc/48/14/89/1032481489.db2.gz NOMRLHQTDSBWMR-HXUWFJFHSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1ncccc1C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121801969 1032481494 /nfs/dbraw/zinc/48/14/94/1032481494.db2.gz NOMRLHQTDSBWMR-HXUWFJFHSA-N 2 2 309.457 3.534 20 0 DHADLP C[N@@H+](Cc1cnc(-c2ccsc2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253643 1032484708 /nfs/dbraw/zinc/48/47/08/1032484708.db2.gz CNKIDFGWUWYLQJ-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP C[N@H+](Cc1cnc(-c2ccsc2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253643 1032484712 /nfs/dbraw/zinc/48/47/12/1032484712.db2.gz CNKIDFGWUWYLQJ-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP C[NH+](Cc1cnc(-c2ccsc2)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253643 1032484717 /nfs/dbraw/zinc/48/47/17/1032484717.db2.gz CNKIDFGWUWYLQJ-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP C[NH+](Cc1cnc(-c2ccsc2)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253643 1032484721 /nfs/dbraw/zinc/48/47/21/1032484721.db2.gz CNKIDFGWUWYLQJ-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP C[N@@H+](Cc1cnc(-c2cccs2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253736 1032486236 /nfs/dbraw/zinc/48/62/36/1032486236.db2.gz FPOHZCHPZIGEGU-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP C[N@H+](Cc1cnc(-c2cccs2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253736 1032486242 /nfs/dbraw/zinc/48/62/42/1032486242.db2.gz FPOHZCHPZIGEGU-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP C[NH+](Cc1cnc(-c2cccs2)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253736 1032486247 /nfs/dbraw/zinc/48/62/47/1032486247.db2.gz FPOHZCHPZIGEGU-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP C[NH+](Cc1cnc(-c2cccs2)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253736 1032486254 /nfs/dbraw/zinc/48/62/54/1032486254.db2.gz FPOHZCHPZIGEGU-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1(C)C ZINC000623541218 1017098489 /nfs/dbraw/zinc/09/84/89/1017098489.db2.gz YNIHZJAPOBUFMU-YPMHNXCESA-N 2 2 312.379 3.554 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1(C)C ZINC000623541218 1017098500 /nfs/dbraw/zinc/09/85/00/1017098500.db2.gz YNIHZJAPOBUFMU-YPMHNXCESA-N 2 2 312.379 3.554 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171345503 1032506155 /nfs/dbraw/zinc/50/61/55/1032506155.db2.gz JLXUERFNUBVJPQ-WMLDXEAASA-N 2 2 322.443 3.532 20 0 DHADLP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318561 1032530909 /nfs/dbraw/zinc/53/09/09/1032530909.db2.gz DMDTWDRBCBWJSI-DYESRHJHSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318561 1032530913 /nfs/dbraw/zinc/53/09/13/1032530913.db2.gz DMDTWDRBCBWJSI-DYESRHJHSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318561 1032530915 /nfs/dbraw/zinc/53/09/15/1032530915.db2.gz DMDTWDRBCBWJSI-DYESRHJHSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318561 1032530919 /nfs/dbraw/zinc/53/09/19/1032530919.db2.gz DMDTWDRBCBWJSI-DYESRHJHSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)s2)o1 ZINC000093644944 1032548915 /nfs/dbraw/zinc/54/89/15/1032548915.db2.gz YQSWAODOMYWFSD-OCCSQVGLSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)s2)o1 ZINC000093644944 1032548917 /nfs/dbraw/zinc/54/89/17/1032548917.db2.gz YQSWAODOMYWFSD-OCCSQVGLSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)s2)o1 ZINC000093644944 1032548923 /nfs/dbraw/zinc/54/89/23/1032548923.db2.gz YQSWAODOMYWFSD-OCCSQVGLSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)s2)o1 ZINC000093644944 1032548926 /nfs/dbraw/zinc/54/89/26/1032548926.db2.gz YQSWAODOMYWFSD-OCCSQVGLSA-N 2 2 319.474 3.626 20 0 DHADLP c1nc(C2CCC2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683832 1032549910 /nfs/dbraw/zinc/54/99/10/1032549910.db2.gz NQPIBCDAIQWYMT-OAHLLOKOSA-N 2 2 319.518 3.718 20 0 DHADLP c1nc(C2CCC2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683832 1032549915 /nfs/dbraw/zinc/54/99/15/1032549915.db2.gz NQPIBCDAIQWYMT-OAHLLOKOSA-N 2 2 319.518 3.718 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000093693983 1032552498 /nfs/dbraw/zinc/55/24/98/1032552498.db2.gz KTQHSBLNFZBDFD-HNNXBMFYSA-N 2 2 309.523 3.505 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000093693983 1032552502 /nfs/dbraw/zinc/55/25/02/1032552502.db2.gz KTQHSBLNFZBDFD-HNNXBMFYSA-N 2 2 309.523 3.505 20 0 DHADLP Cc1cc(F)c(C[NH2+]CCCCNc2cccc[nH+]2)c(F)c1 ZINC000424153702 1011924076 /nfs/dbraw/zinc/92/40/76/1011924076.db2.gz KWLJQTXMEZCQAR-UHFFFAOYSA-N 2 2 305.372 3.650 20 0 DHADLP CC[C@H]1C[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647934947 1011944043 /nfs/dbraw/zinc/94/40/43/1011944043.db2.gz VKEPWYNJSKXVKU-HOCLYGCPSA-N 2 2 310.869 3.686 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647934947 1011944060 /nfs/dbraw/zinc/94/40/60/1011944060.db2.gz VKEPWYNJSKXVKU-HOCLYGCPSA-N 2 2 310.869 3.686 20 0 DHADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1sccc1Br ZINC000514855217 1012469407 /nfs/dbraw/zinc/46/94/07/1012469407.db2.gz RSCVZFNXDFFYFK-SKDRFNHKSA-N 2 2 317.296 3.679 20 0 DHADLP C[N@H+]1CC=C(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC001208718878 1012566870 /nfs/dbraw/zinc/56/68/70/1012566870.db2.gz NBPXAUBVSVLLHW-UHFFFAOYSA-N 2 2 307.319 3.885 20 0 DHADLP C[N@@H+]1CC=C(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC001208718878 1012566873 /nfs/dbraw/zinc/56/68/73/1012566873.db2.gz NBPXAUBVSVLLHW-UHFFFAOYSA-N 2 2 307.319 3.885 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1 ZINC000515389201 1012611110 /nfs/dbraw/zinc/61/11/10/1012611110.db2.gz RHCWFHDBBLVHRX-UHFFFAOYSA-N 2 2 310.441 3.544 20 0 DHADLP C[N@@H+]1CC=C(Nc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC001208792912 1012653925 /nfs/dbraw/zinc/65/39/25/1012653925.db2.gz AISQGYCKZTULQV-UHFFFAOYSA-N 2 2 318.218 3.629 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c2ccccc12 ZINC000537687640 1032642275 /nfs/dbraw/zinc/64/22/75/1032642275.db2.gz LCYIMFKTQUBXAG-MSOLQXFVSA-N 2 2 324.468 3.907 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c2ccccc12 ZINC000537687640 1032642281 /nfs/dbraw/zinc/64/22/81/1032642281.db2.gz LCYIMFKTQUBXAG-MSOLQXFVSA-N 2 2 324.468 3.907 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c2ccccc12 ZINC000537687640 1032642296 /nfs/dbraw/zinc/64/22/96/1032642296.db2.gz LCYIMFKTQUBXAG-MSOLQXFVSA-N 2 2 324.468 3.907 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)c2ccccc12 ZINC000537687640 1032642307 /nfs/dbraw/zinc/64/23/07/1032642307.db2.gz LCYIMFKTQUBXAG-MSOLQXFVSA-N 2 2 324.468 3.907 20 0 DHADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000179392387 1012666569 /nfs/dbraw/zinc/66/65/69/1012666569.db2.gz CBTSDTTZRRWKRK-CHWSQXEVSA-N 2 2 311.351 3.684 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000036932206 1012706671 /nfs/dbraw/zinc/70/66/71/1012706671.db2.gz HZBMAEKFVGEAQE-AWEZNQCLSA-N 2 2 301.459 3.771 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000123742833 1032658866 /nfs/dbraw/zinc/65/88/66/1032658866.db2.gz CXEKKLCCUDMZRI-OCCSQVGLSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000123742833 1032658879 /nfs/dbraw/zinc/65/88/79/1032658879.db2.gz CXEKKLCCUDMZRI-OCCSQVGLSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123742833 1032658891 /nfs/dbraw/zinc/65/88/91/1032658891.db2.gz CXEKKLCCUDMZRI-OCCSQVGLSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123742833 1032658899 /nfs/dbraw/zinc/65/88/99/1032658899.db2.gz CXEKKLCCUDMZRI-OCCSQVGLSA-N 2 2 300.368 3.620 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CCS2 ZINC000163782507 1012883748 /nfs/dbraw/zinc/88/37/48/1012883748.db2.gz BOLUYZVNNJETTP-HNNXBMFYSA-N 2 2 317.433 3.849 20 0 DHADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000037249349 1012923464 /nfs/dbraw/zinc/92/34/64/1012923464.db2.gz WDKAEMMWRMDJAS-OAHLLOKOSA-N 2 2 322.250 3.777 20 0 DHADLP CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154669714 1012924397 /nfs/dbraw/zinc/92/43/97/1012924397.db2.gz OBHWBBPXYBGPFU-SJORKVTESA-N 2 2 315.461 3.568 20 0 DHADLP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(Cl)c1 ZINC001167962635 1013039888 /nfs/dbraw/zinc/03/98/88/1013039888.db2.gz ZQQZXWMNFREIRD-ALOPSCKCSA-N 2 2 322.855 3.974 20 0 DHADLP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(Cl)c1 ZINC001167962635 1013039899 /nfs/dbraw/zinc/03/98/99/1013039899.db2.gz ZQQZXWMNFREIRD-ALOPSCKCSA-N 2 2 322.855 3.974 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC1(C)C ZINC000475334869 1017150940 /nfs/dbraw/zinc/15/09/40/1017150940.db2.gz FHKKWVQMMFKARN-LLGZUXRYSA-N 2 2 318.427 3.816 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2Cc3ccncc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168061689 1017162623 /nfs/dbraw/zinc/16/26/23/1017162623.db2.gz IZVILSRANKMWCH-UPHUGPLXSA-N 2 2 321.468 3.839 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2Cc3ccncc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168061689 1017162626 /nfs/dbraw/zinc/16/26/26/1017162626.db2.gz IZVILSRANKMWCH-UPHUGPLXSA-N 2 2 321.468 3.839 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+]2Cc3ccncc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061689 1017162629 /nfs/dbraw/zinc/16/26/29/1017162629.db2.gz IZVILSRANKMWCH-UPHUGPLXSA-N 2 2 321.468 3.839 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+]2Cc3ccncc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061689 1017162632 /nfs/dbraw/zinc/16/26/32/1017162632.db2.gz IZVILSRANKMWCH-UPHUGPLXSA-N 2 2 321.468 3.839 20 0 DHADLP CC1(C)CC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475353495 1017163933 /nfs/dbraw/zinc/16/39/33/1017163933.db2.gz WKRHNOXJYPSUOW-UHFFFAOYSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@@H](CC[NH2+]Cc1cc(O)cc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000349597814 1017210297 /nfs/dbraw/zinc/21/02/97/1017210297.db2.gz KMZCHYVZUKUFGJ-HNNXBMFYSA-N 2 2 316.420 3.532 20 0 DHADLP C[C@@H](CC[NH2+]Cc1cc(O)cc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000349597814 1017210306 /nfs/dbraw/zinc/21/03/06/1017210306.db2.gz KMZCHYVZUKUFGJ-HNNXBMFYSA-N 2 2 316.420 3.532 20 0 DHADLP CSc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001142031692 1017361141 /nfs/dbraw/zinc/36/11/41/1017361141.db2.gz NLCWIPUJKPFZNT-ZDUSSCGKSA-N 2 2 320.483 3.827 20 0 DHADLP CSc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001142031692 1017361161 /nfs/dbraw/zinc/36/11/61/1017361161.db2.gz NLCWIPUJKPFZNT-ZDUSSCGKSA-N 2 2 320.483 3.827 20 0 DHADLP Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000075758056 1017361395 /nfs/dbraw/zinc/36/13/95/1017361395.db2.gz VYHVHKPVWJMCFT-UHFFFAOYSA-N 2 2 305.425 3.838 20 0 DHADLP C[C@H](C[NH2+]CCCCCOc1ccccc1)[NH+]1CCCCC1 ZINC000783597787 1017419496 /nfs/dbraw/zinc/41/94/96/1017419496.db2.gz ASCULAZQSWLNKZ-GOSISDBHSA-N 2 2 304.478 3.700 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)CC1(C)C ZINC000623777983 1017456918 /nfs/dbraw/zinc/45/69/18/1017456918.db2.gz ZUUVVVFVYMHPQS-NSHDSACASA-N 2 2 306.397 3.729 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)CC1(C)C ZINC000623777983 1017456921 /nfs/dbraw/zinc/45/69/21/1017456921.db2.gz ZUUVVVFVYMHPQS-NSHDSACASA-N 2 2 306.397 3.729 20 0 DHADLP Cc1ccncc1CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000657589390 1017516126 /nfs/dbraw/zinc/51/61/26/1017516126.db2.gz XWHKEXIMGHNKSH-HXUWFJFHSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccncc1CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000657589390 1017516141 /nfs/dbraw/zinc/51/61/41/1017516141.db2.gz XWHKEXIMGHNKSH-HXUWFJFHSA-N 2 2 323.484 3.575 20 0 DHADLP Fc1ccc(S[C@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000623852300 1017543232 /nfs/dbraw/zinc/54/32/32/1017543232.db2.gz SHGAFCAWLXAKMN-SJORKVTESA-N 2 2 319.449 3.715 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCCCO1 ZINC000623894638 1017562372 /nfs/dbraw/zinc/56/23/72/1017562372.db2.gz ZJYLLAPSVNYERV-JZXOWHBKSA-N 2 2 304.478 3.663 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857901895 1032710781 /nfs/dbraw/zinc/71/07/81/1032710781.db2.gz NTQQARGFBTVZRP-KGLIPLIRSA-N 2 2 318.852 3.623 20 0 DHADLP COc1ccc2cc(N3C(C)(C)CC([NH3+])CC3(C)C)[nH+]cc2c1 ZINC001167625895 1017722231 /nfs/dbraw/zinc/72/22/31/1017722231.db2.gz SASMZCOWOZVOOW-UHFFFAOYSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000657693371 1017803103 /nfs/dbraw/zinc/80/31/03/1017803103.db2.gz AVAHDYUDQPRJHK-NLWGTHIKSA-N 2 2 315.505 3.818 20 0 DHADLP CC(C)CSCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358368115 1017875886 /nfs/dbraw/zinc/87/58/86/1017875886.db2.gz NEIWSQQJZZMQQR-HNNXBMFYSA-N 2 2 303.475 3.912 20 0 DHADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171496459 1032737351 /nfs/dbraw/zinc/73/73/51/1032737351.db2.gz BYIWNUHLEXNOFC-KRWDZBQOSA-N 2 2 322.443 3.627 20 0 DHADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171496459 1032737362 /nfs/dbraw/zinc/73/73/62/1032737362.db2.gz BYIWNUHLEXNOFC-KRWDZBQOSA-N 2 2 322.443 3.627 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000368581943 1018101020 /nfs/dbraw/zinc/10/10/20/1018101020.db2.gz ILWWDRFPTXPNAX-WBVHZDCISA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000368581943 1018101024 /nfs/dbraw/zinc/10/10/24/1018101024.db2.gz ILWWDRFPTXPNAX-WBVHZDCISA-N 2 2 315.486 3.706 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000123871101 1018131643 /nfs/dbraw/zinc/13/16/43/1018131643.db2.gz JORJSKPOZXQKDA-CRAIPNDOSA-N 2 2 316.489 3.729 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000123871101 1018131649 /nfs/dbraw/zinc/13/16/49/1018131649.db2.gz JORJSKPOZXQKDA-CRAIPNDOSA-N 2 2 316.489 3.729 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000123871101 1018131657 /nfs/dbraw/zinc/13/16/57/1018131657.db2.gz JORJSKPOZXQKDA-CRAIPNDOSA-N 2 2 316.489 3.729 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000123871101 1018131667 /nfs/dbraw/zinc/13/16/67/1018131667.db2.gz JORJSKPOZXQKDA-CRAIPNDOSA-N 2 2 316.489 3.729 20 0 DHADLP C[C@H](C[NH2+]CC(c1ccccc1)c1ccccc1)[N@H+](C)C1CC1 ZINC000323262901 1018184055 /nfs/dbraw/zinc/18/40/55/1018184055.db2.gz IWBNLMKLLYOYRA-QGZVFWFLSA-N 2 2 308.469 3.891 20 0 DHADLP C[C@H](C[NH2+]CC(c1ccccc1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000323262901 1018184058 /nfs/dbraw/zinc/18/40/58/1018184058.db2.gz IWBNLMKLLYOYRA-QGZVFWFLSA-N 2 2 308.469 3.891 20 0 DHADLP Clc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000343160606 1018298364 /nfs/dbraw/zinc/29/83/64/1018298364.db2.gz YNGWMWQGSGUHMR-UHFFFAOYSA-N 2 2 317.845 3.936 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000447731057 1018460952 /nfs/dbraw/zinc/46/09/52/1018460952.db2.gz LTFSUDRVSLQHGD-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000447731057 1018460959 /nfs/dbraw/zinc/46/09/59/1018460959.db2.gz LTFSUDRVSLQHGD-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447731057 1018460964 /nfs/dbraw/zinc/46/09/64/1018460964.db2.gz LTFSUDRVSLQHGD-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447731057 1018460969 /nfs/dbraw/zinc/46/09/69/1018460969.db2.gz LTFSUDRVSLQHGD-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP Cc1noc(C)c1[C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000925203392 1018506029 /nfs/dbraw/zinc/50/60/29/1018506029.db2.gz KQBXDDRXJKWGSF-GJZGRUSLSA-N 2 2 315.461 3.853 20 0 DHADLP Cc1noc(C)c1[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000925203392 1018506041 /nfs/dbraw/zinc/50/60/41/1018506041.db2.gz KQBXDDRXJKWGSF-GJZGRUSLSA-N 2 2 315.461 3.853 20 0 DHADLP Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c2cc(F)ccc2[nH+]1 ZINC000675790776 1018593760 /nfs/dbraw/zinc/59/37/60/1018593760.db2.gz FZLMURZYUWRHQH-HNNXBMFYSA-N 2 2 310.376 3.720 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](CC4CC4)C3)ccc2c1 ZINC000675833178 1018605829 /nfs/dbraw/zinc/60/58/29/1018605829.db2.gz GHKACDPAHJKQQB-YWZLYKJASA-N 2 2 324.468 3.983 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](CC4CC4)C3)ccc2c1 ZINC000675833178 1018605833 /nfs/dbraw/zinc/60/58/33/1018605833.db2.gz GHKACDPAHJKQQB-YWZLYKJASA-N 2 2 324.468 3.983 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000675917692 1018626101 /nfs/dbraw/zinc/62/61/01/1018626101.db2.gz BBAJENLAHWERTG-DOTOQJQBSA-N 2 2 309.413 3.956 20 0 DHADLP Cc1cccc2c1CC[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001171557179 1032777606 /nfs/dbraw/zinc/77/76/06/1032777606.db2.gz RCABMYOKQXUAKG-LJQANCHMSA-N 2 2 321.468 3.506 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000858138333 1032778560 /nfs/dbraw/zinc/77/85/60/1032778560.db2.gz XCDLOJLSTFYUNA-QWHCGFSZSA-N 2 2 303.475 3.820 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000858138333 1032778567 /nfs/dbraw/zinc/77/85/67/1032778567.db2.gz XCDLOJLSTFYUNA-QWHCGFSZSA-N 2 2 303.475 3.820 20 0 DHADLP Cc1nc2c(s1)[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)CCC2 ZINC000765251352 1018729411 /nfs/dbraw/zinc/72/94/11/1018729411.db2.gz OXSOFVUMXIYLAV-GJZGRUSLSA-N 2 2 318.490 3.730 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)C)nc2C)C[C@@H]1C ZINC000339011004 1032789323 /nfs/dbraw/zinc/78/93/23/1032789323.db2.gz OMPKQEKVQWDLQN-MAUKXSAKSA-N 2 2 303.494 3.818 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)C)nc2C)C[C@@H]1C ZINC000339011004 1032789336 /nfs/dbraw/zinc/78/93/36/1032789336.db2.gz OMPKQEKVQWDLQN-MAUKXSAKSA-N 2 2 303.494 3.818 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)C)nc2C)C[C@@H]1C ZINC000339011004 1032789347 /nfs/dbraw/zinc/78/93/47/1032789347.db2.gz OMPKQEKVQWDLQN-MAUKXSAKSA-N 2 2 303.494 3.818 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)C)nc2C)C[C@@H]1C ZINC000339011004 1032789357 /nfs/dbraw/zinc/78/93/57/1032789357.db2.gz OMPKQEKVQWDLQN-MAUKXSAKSA-N 2 2 303.494 3.818 20 0 DHADLP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000657818229 1018849443 /nfs/dbraw/zinc/84/94/43/1018849443.db2.gz ANTJSTOWDIPGGJ-HNNXBMFYSA-N 2 2 311.351 3.513 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@@H]1[NH3+] ZINC000316780383 1018870378 /nfs/dbraw/zinc/87/03/78/1018870378.db2.gz GGGOUAWFAXPCRP-DOMZBBRYSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@@H]1[NH3+] ZINC000316780383 1018870399 /nfs/dbraw/zinc/87/03/99/1018870399.db2.gz GGGOUAWFAXPCRP-DOMZBBRYSA-N 2 2 319.836 3.554 20 0 DHADLP CCOC1CCC([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000657826729 1018927248 /nfs/dbraw/zinc/92/72/48/1018927248.db2.gz KBJBGILODNGIGG-MHJFOBGBSA-N 2 2 316.489 3.761 20 0 DHADLP COc1ccc(F)c(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171625977 1032805661 /nfs/dbraw/zinc/80/56/61/1032805661.db2.gz QKUOPBSGQHDWPR-UHFFFAOYSA-N 2 2 308.441 3.575 20 0 DHADLP c1ccc2c(c1)cncc2C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000858221975 1032807857 /nfs/dbraw/zinc/80/78/57/1032807857.db2.gz QOTMNYDXUGJLJF-LJQANCHMSA-N 2 2 309.457 3.731 20 0 DHADLP c1ccc2c(c1)cncc2C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000858221975 1032807867 /nfs/dbraw/zinc/80/78/67/1032807867.db2.gz QOTMNYDXUGJLJF-LJQANCHMSA-N 2 2 309.457 3.731 20 0 DHADLP CC(C)(C)Oc1cc[nH+]c(N2C[C@@H](CC[NH3+])c3ccccc32)c1 ZINC001168555686 1019128035 /nfs/dbraw/zinc/12/80/35/1019128035.db2.gz QTKCGACWORYNDA-CQSZACIVSA-N 2 2 311.429 3.843 20 0 DHADLP Cc1cccc(C[N@H+](CCC[NH2+]C2CC2)Cc2ccccn2)c1 ZINC000923323238 1019131191 /nfs/dbraw/zinc/13/11/91/1019131191.db2.gz GYEYNZLZJYGDBH-UHFFFAOYSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1cccc(C[N@@H+](CCC[NH2+]C2CC2)Cc2ccccn2)c1 ZINC000923323238 1019131203 /nfs/dbraw/zinc/13/12/03/1019131203.db2.gz GYEYNZLZJYGDBH-UHFFFAOYSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000666996951 1032812377 /nfs/dbraw/zinc/81/23/77/1032812377.db2.gz NMWNVPCSXUSFRN-CQSZACIVSA-N 2 2 323.278 3.522 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H]2CCCOc3c(F)cccc32)CC1 ZINC000157093745 1019214674 /nfs/dbraw/zinc/21/46/74/1019214674.db2.gz UUGWRXLZLHIGCI-KRWDZBQOSA-N 2 2 306.425 3.503 20 0 DHADLP CC[N@H+](Cc1cc(C)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143454799 1019277795 /nfs/dbraw/zinc/27/77/95/1019277795.db2.gz KCJOAZHHQXOASQ-UHFFFAOYSA-N 2 2 314.395 3.930 20 0 DHADLP CC[N@@H+](Cc1cc(C)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143454799 1019277808 /nfs/dbraw/zinc/27/78/08/1019277808.db2.gz KCJOAZHHQXOASQ-UHFFFAOYSA-N 2 2 314.395 3.930 20 0 DHADLP Cc1ccc(CC[C@H](C)[N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001171664966 1032820616 /nfs/dbraw/zinc/82/06/16/1032820616.db2.gz ILSRQVIPMRAFMB-LAUBAEHRSA-N 2 2 308.469 3.702 20 0 DHADLP Cc1ccc(CC[C@H](C)[N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001171664966 1032820635 /nfs/dbraw/zinc/82/06/35/1032820635.db2.gz ILSRQVIPMRAFMB-LAUBAEHRSA-N 2 2 308.469 3.702 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC000090452427 1019391353 /nfs/dbraw/zinc/39/13/53/1019391353.db2.gz DLNFFEYRTVVIDY-DNVCBOLYSA-N 2 2 319.408 3.965 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000091284639 1019457522 /nfs/dbraw/zinc/45/75/22/1019457522.db2.gz BAMFBYGLXJLQTN-FQEVSTJZSA-N 2 2 309.457 3.811 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000092195056 1019483932 /nfs/dbraw/zinc/48/39/32/1019483932.db2.gz XGPXKEZWWWPTJH-OAHLLOKOSA-N 2 2 313.420 3.536 20 0 DHADLP CC(C)CCn1cccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073961 1019504902 /nfs/dbraw/zinc/50/49/02/1019504902.db2.gz UKTNGZCJIVXNKT-MRXNPFEDSA-N 2 2 300.450 3.637 20 0 DHADLP CC(C)CCn1cccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073961 1019504907 /nfs/dbraw/zinc/50/49/07/1019504907.db2.gz UKTNGZCJIVXNKT-MRXNPFEDSA-N 2 2 300.450 3.637 20 0 DHADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000517599902 1019630983 /nfs/dbraw/zinc/63/09/83/1019630983.db2.gz PPOKYLRNXHBFKB-ZYSHUDEJSA-N 2 2 301.478 3.631 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)s1 ZINC000858320814 1032848406 /nfs/dbraw/zinc/84/84/06/1032848406.db2.gz JOTYGHJLTTWXQD-HNNXBMFYSA-N 2 2 321.877 3.635 20 0 DHADLP Cn1c2ccc(NCc3c[nH+]c4n3CCC4)cc2[nH+]c1C(C)(C)C ZINC000657417980 1019787747 /nfs/dbraw/zinc/78/77/47/1019787747.db2.gz FXJSCONBLWYASZ-UHFFFAOYSA-N 2 2 323.444 3.626 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000157831697 1019912006 /nfs/dbraw/zinc/91/20/06/1019912006.db2.gz ABIJDPTYIMVUKS-IERDGZPVSA-N 2 2 321.468 3.884 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000157831697 1019912016 /nfs/dbraw/zinc/91/20/16/1019912016.db2.gz ABIJDPTYIMVUKS-IERDGZPVSA-N 2 2 321.468 3.884 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(C(F)F)nc1 ZINC000657999142 1020084655 /nfs/dbraw/zinc/08/46/55/1020084655.db2.gz FTGOFOQYRRYKMB-GRTSSRMGSA-N 2 2 309.404 3.687 20 0 DHADLP C[C@H]1CC(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H](C)C1 ZINC000658128120 1020178416 /nfs/dbraw/zinc/17/84/16/1020178416.db2.gz RXWJXYMSRITNBB-HZPDHXFCSA-N 2 2 301.478 3.712 20 0 DHADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000921645368 1020264698 /nfs/dbraw/zinc/26/46/98/1020264698.db2.gz STZTXQSTFTZZGR-RRFJBIMHSA-N 2 2 321.534 3.759 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658282536 1020280083 /nfs/dbraw/zinc/28/00/83/1020280083.db2.gz HQRPOKPWCHJQIA-SWLSCSKDSA-N 2 2 305.372 3.814 20 0 DHADLP Fc1ccccc1C1CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655848121 1020421933 /nfs/dbraw/zinc/42/19/33/1020421933.db2.gz BVEZYILRVAZJAN-BURPLHJFSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccccc1C1CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655848121 1020421940 /nfs/dbraw/zinc/42/19/40/1020421940.db2.gz BVEZYILRVAZJAN-BURPLHJFSA-N 2 2 302.437 3.678 20 0 DHADLP Cc1ccncc1CCC[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000348068021 1020492648 /nfs/dbraw/zinc/49/26/48/1020492648.db2.gz DHBRBWVRSFCYMA-OAQYLSRUSA-N 2 2 323.484 3.577 20 0 DHADLP Cc1ccncc1CCC[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000348068021 1020492654 /nfs/dbraw/zinc/49/26/54/1020492654.db2.gz DHBRBWVRSFCYMA-OAQYLSRUSA-N 2 2 323.484 3.577 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000348081263 1020496567 /nfs/dbraw/zinc/49/65/67/1020496567.db2.gz XSNZDJPSADBOAR-ZDUSSCGKSA-N 2 2 307.388 3.943 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000348081263 1020496580 /nfs/dbraw/zinc/49/65/80/1020496580.db2.gz XSNZDJPSADBOAR-ZDUSSCGKSA-N 2 2 307.388 3.943 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168745817 1020527243 /nfs/dbraw/zinc/52/72/43/1020527243.db2.gz YUFPVIYVAFAEDH-MRXNPFEDSA-N 2 2 318.892 3.758 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](c2cccnc2)c2cc(C)cc(C)c2)CC1 ZINC000765868029 1020531595 /nfs/dbraw/zinc/53/15/95/1020531595.db2.gz NZHPLGLPYKKUJT-NRFANRHFSA-N 2 2 323.484 3.862 20 0 DHADLP Fc1cccc([C@@H]2CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000674013400 1020633776 /nfs/dbraw/zinc/63/37/76/1020633776.db2.gz OEMVODWTSHIWQJ-IBGZPJMESA-N 2 2 307.372 3.958 20 0 DHADLP Fc1cccc([C@@H]2CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000674013400 1020633782 /nfs/dbraw/zinc/63/37/82/1020633782.db2.gz OEMVODWTSHIWQJ-IBGZPJMESA-N 2 2 307.372 3.958 20 0 DHADLP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347878006 1020642634 /nfs/dbraw/zinc/64/26/34/1020642634.db2.gz LTRBNHYFUVPLEX-RHSMWYFYSA-N 2 2 315.486 3.583 20 0 DHADLP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347878006 1020642639 /nfs/dbraw/zinc/64/26/39/1020642639.db2.gz LTRBNHYFUVPLEX-RHSMWYFYSA-N 2 2 315.486 3.583 20 0 DHADLP Clc1cccc([C@@H]2CC[C@H]([NH2+]CCCn3cc[nH+]c3)C2)c1 ZINC000414051327 1020816565 /nfs/dbraw/zinc/81/65/65/1020816565.db2.gz JFZWORBBNSWJAF-WBVHZDCISA-N 2 2 303.837 3.853 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1csc(-c2ccccc2)n1 ZINC000414061337 1020830339 /nfs/dbraw/zinc/83/03/39/1020830339.db2.gz ZBHXZCMTGDUOLM-CQSZACIVSA-N 2 2 312.442 3.748 20 0 DHADLP Clc1cccc([C@@H]2CCC[C@H]([NH2+]CCn3cc[nH+]c3)C2)c1 ZINC000414073081 1020845023 /nfs/dbraw/zinc/84/50/23/1020845023.db2.gz VOPXJOZPHVSQFJ-WBVHZDCISA-N 2 2 303.837 3.853 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000858536541 1032935206 /nfs/dbraw/zinc/93/52/06/1032935206.db2.gz MEHMLOWBKIPPRM-BLLLJJGKSA-N 2 2 319.399 3.609 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000858536541 1032935215 /nfs/dbraw/zinc/93/52/15/1032935215.db2.gz MEHMLOWBKIPPRM-BLLLJJGKSA-N 2 2 319.399 3.609 20 0 DHADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000766270147 1021000282 /nfs/dbraw/zinc/00/02/82/1021000282.db2.gz OPJOCNPMLVUOSU-BBRMVZONSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000766270147 1021000288 /nfs/dbraw/zinc/00/02/88/1021000288.db2.gz OPJOCNPMLVUOSU-BBRMVZONSA-N 2 2 312.404 3.813 20 0 DHADLP Cc1cc([NH+]2CCCCC2)ccc1-n1nc(C[NH3+])c2ccccc21 ZINC001167701587 1021144512 /nfs/dbraw/zinc/14/45/12/1021144512.db2.gz QBAPCZHKICOYGJ-UHFFFAOYSA-N 2 2 320.440 3.783 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000537991483 1032964981 /nfs/dbraw/zinc/96/49/81/1032964981.db2.gz RDOKCMHIABTLAV-XHDPSFHLSA-N 2 2 313.272 3.608 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000537991483 1032964988 /nfs/dbraw/zinc/96/49/88/1032964988.db2.gz RDOKCMHIABTLAV-XHDPSFHLSA-N 2 2 313.272 3.608 20 0 DHADLP CC1(C)C[C@@H]([N@H+]2CCOCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC001171983990 1032966010 /nfs/dbraw/zinc/96/60/10/1032966010.db2.gz HORCBTBLXMLRKU-SFHVURJKSA-N 2 2 316.489 3.540 20 0 DHADLP CC1(C)C[C@@H]([N@@H+]2CCOCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC001171983990 1032966022 /nfs/dbraw/zinc/96/60/22/1032966022.db2.gz HORCBTBLXMLRKU-SFHVURJKSA-N 2 2 316.489 3.540 20 0 DHADLP CC1(C)COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983990 1032966032 /nfs/dbraw/zinc/96/60/32/1032966032.db2.gz HORCBTBLXMLRKU-SFHVURJKSA-N 2 2 316.489 3.540 20 0 DHADLP CC1(C)COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983990 1032966042 /nfs/dbraw/zinc/96/60/42/1032966042.db2.gz HORCBTBLXMLRKU-SFHVURJKSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)CO1 ZINC001171986195 1032971271 /nfs/dbraw/zinc/97/12/71/1032971271.db2.gz GJWRQOAZSGVJCP-SCTDSRPQSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)CO1 ZINC001171986195 1032971280 /nfs/dbraw/zinc/97/12/80/1032971280.db2.gz GJWRQOAZSGVJCP-SCTDSRPQSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)CO1 ZINC001171986195 1032971294 /nfs/dbraw/zinc/97/12/94/1032971294.db2.gz GJWRQOAZSGVJCP-SCTDSRPQSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)CO1 ZINC001171986195 1032971303 /nfs/dbraw/zinc/97/13/03/1032971303.db2.gz GJWRQOAZSGVJCP-SCTDSRPQSA-N 2 2 316.489 3.539 20 0 DHADLP Cc1cccc2[nH]c(C[NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)cc21 ZINC000850058282 1021406150 /nfs/dbraw/zinc/40/61/50/1021406150.db2.gz AIVGVSOCKOCFDY-GOSISDBHSA-N 2 2 310.445 3.877 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(-c2ccccc2)no1 ZINC000924591321 1021418464 /nfs/dbraw/zinc/41/84/64/1021418464.db2.gz HHGVFTCGTAGDFB-CQSZACIVSA-N 2 2 311.429 3.619 20 0 DHADLP CC[C@@H](C)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000093076301 1021508253 /nfs/dbraw/zinc/50/82/53/1021508253.db2.gz KLFSMQONKJJPKY-SJORKVTESA-N 2 2 304.478 3.522 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCC34CC4)CC2)cc1 ZINC000850438937 1021536026 /nfs/dbraw/zinc/53/60/26/1021536026.db2.gz XLWKCQVCXAKMQP-LJQANCHMSA-N 2 2 313.489 3.644 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+]3C)cc2)cs1 ZINC000649574928 1021536953 /nfs/dbraw/zinc/53/69/53/1021536953.db2.gz YBCNWBZPTBCWKS-SUMWQHHRSA-N 2 2 315.486 3.863 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H]3CCC[N@H+]3C)cc2)cs1 ZINC000649574928 1021536956 /nfs/dbraw/zinc/53/69/56/1021536956.db2.gz YBCNWBZPTBCWKS-SUMWQHHRSA-N 2 2 315.486 3.863 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc2c(c1)CCO2 ZINC000850494598 1021563776 /nfs/dbraw/zinc/56/37/76/1021563776.db2.gz QVDFQCYISSLUHH-IRXDYDNUSA-N 2 2 302.462 3.535 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc2c(c1)CCO2 ZINC000850494598 1021563782 /nfs/dbraw/zinc/56/37/82/1021563782.db2.gz QVDFQCYISSLUHH-IRXDYDNUSA-N 2 2 302.462 3.535 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000093693602 1021653047 /nfs/dbraw/zinc/65/30/47/1021653047.db2.gz QNPXOYBOLOLRSK-GOSISDBHSA-N 2 2 316.489 3.639 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000093693602 1021653051 /nfs/dbraw/zinc/65/30/51/1021653051.db2.gz QNPXOYBOLOLRSK-GOSISDBHSA-N 2 2 316.489 3.639 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182121864 1021664247 /nfs/dbraw/zinc/66/42/47/1021664247.db2.gz SLNLDEZHNMIQLZ-CYBMUJFWSA-N 2 2 312.804 3.772 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)ccc(Cl)c1F)C2 ZINC001172103482 1033003171 /nfs/dbraw/zinc/00/31/71/1033003171.db2.gz VFQXUOQESIJNOO-ZSBIGDGJSA-N 2 2 314.807 3.723 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)ccc(Cl)c1F)C2 ZINC001172103482 1033003188 /nfs/dbraw/zinc/00/31/88/1033003188.db2.gz VFQXUOQESIJNOO-ZSBIGDGJSA-N 2 2 314.807 3.723 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)ccc(F)c1Cl)C2 ZINC001172103910 1033003664 /nfs/dbraw/zinc/00/36/64/1033003664.db2.gz XXFYMEFZJIRJGD-ZSBIGDGJSA-N 2 2 314.807 3.723 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)ccc(F)c1Cl)C2 ZINC001172103910 1033003677 /nfs/dbraw/zinc/00/36/77/1033003677.db2.gz XXFYMEFZJIRJGD-ZSBIGDGJSA-N 2 2 314.807 3.723 20 0 DHADLP Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)C1CC[NH+](C)CC1 ZINC000386217613 1022053696 /nfs/dbraw/zinc/05/36/96/1022053696.db2.gz ZPTNATPOTCOSBP-INIZCTEOSA-N 2 2 301.478 3.737 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cnn(C2CCCC2)c1 ZINC000337499147 1033035630 /nfs/dbraw/zinc/03/56/30/1033035630.db2.gz ZUQUIFALMXYFMK-DMKPSLHHSA-N 2 2 316.493 3.666 20 0 DHADLP CC(C)CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000153590571 1022226867 /nfs/dbraw/zinc/22/68/67/1022226867.db2.gz SLWULEAXDLWHRR-WMZOPIPTSA-N 2 2 304.478 3.684 20 0 DHADLP CC(C)CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000153590571 1022226877 /nfs/dbraw/zinc/22/68/77/1022226877.db2.gz SLWULEAXDLWHRR-WMZOPIPTSA-N 2 2 304.478 3.684 20 0 DHADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001169068778 1022239831 /nfs/dbraw/zinc/23/98/31/1022239831.db2.gz VQJCLUOYROOGKD-OALUTQOASA-N 2 2 300.490 3.860 20 0 DHADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001169068778 1022239838 /nfs/dbraw/zinc/23/98/38/1022239838.db2.gz VQJCLUOYROOGKD-OALUTQOASA-N 2 2 300.490 3.860 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1c(F)cccc1C(F)(F)F)C2 ZINC001169099284 1022248081 /nfs/dbraw/zinc/24/80/81/1022248081.db2.gz OPFWLHMVYNXHJI-CNDDSTCGSA-N 2 2 316.342 3.559 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1c(F)cccc1C(F)(F)F)C2 ZINC001169099284 1022248085 /nfs/dbraw/zinc/24/80/85/1022248085.db2.gz OPFWLHMVYNXHJI-CNDDSTCGSA-N 2 2 316.342 3.559 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001169126495 1022260281 /nfs/dbraw/zinc/26/02/81/1022260281.db2.gz VDXMNBYISPLLNR-XODKDNOYSA-N 2 2 321.468 3.518 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001169126495 1022260286 /nfs/dbraw/zinc/26/02/86/1022260286.db2.gz VDXMNBYISPLLNR-XODKDNOYSA-N 2 2 321.468 3.518 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001169126495 1022260293 /nfs/dbraw/zinc/26/02/93/1022260293.db2.gz VDXMNBYISPLLNR-XODKDNOYSA-N 2 2 321.468 3.518 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001169126495 1022260295 /nfs/dbraw/zinc/26/02/95/1022260295.db2.gz VDXMNBYISPLLNR-XODKDNOYSA-N 2 2 321.468 3.518 20 0 DHADLP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000153908299 1022262966 /nfs/dbraw/zinc/26/29/66/1022262966.db2.gz WDNAHECWMMTSSA-KSZLIROESA-N 2 2 318.505 3.911 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC001169113964 1022270073 /nfs/dbraw/zinc/27/00/73/1022270073.db2.gz VLAMXGDGRZUAAU-WERVVEIQSA-N 2 2 322.452 3.696 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC001169113964 1022270080 /nfs/dbraw/zinc/27/00/80/1022270080.db2.gz VLAMXGDGRZUAAU-WERVVEIQSA-N 2 2 322.452 3.696 20 0 DHADLP CC1(C)C[C@@H](Nc2ccc(-n3cccc3)c[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169142701 1022274325 /nfs/dbraw/zinc/27/43/25/1022274325.db2.gz NUQLJKRNJZFNRJ-DNVCBOLYSA-N 2 2 312.461 3.828 20 0 DHADLP Cc1cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c2cc[nH]c21 ZINC001169151439 1022282647 /nfs/dbraw/zinc/28/26/47/1022282647.db2.gz JSGQINJVZZBDKC-ACJLOTCBSA-N 2 2 300.450 3.827 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1c(F)cccc1F)C2 ZINC001169155794 1022286598 /nfs/dbraw/zinc/28/65/98/1022286598.db2.gz VHHCTEPALWZBRT-UMPJEAMMSA-N 2 2 306.400 3.727 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1c(F)cccc1F)C2 ZINC001169155794 1022286611 /nfs/dbraw/zinc/28/66/11/1022286611.db2.gz VHHCTEPALWZBRT-UMPJEAMMSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1c(F)cccc1F)C2 ZINC001169155794 1022286620 /nfs/dbraw/zinc/28/66/20/1022286620.db2.gz VHHCTEPALWZBRT-UMPJEAMMSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1c(F)cccc1F)C2 ZINC001169155794 1022286632 /nfs/dbraw/zinc/28/66/32/1022286632.db2.gz VHHCTEPALWZBRT-UMPJEAMMSA-N 2 2 306.400 3.727 20 0 DHADLP COc1c[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c2[nH]ccc21 ZINC001169140406 1022290207 /nfs/dbraw/zinc/29/02/07/1022290207.db2.gz FYJBOWDAKUUDQY-KZULUSFZSA-N 2 2 316.449 3.527 20 0 DHADLP CC[NH+]1CCC([NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001169229609 1022313350 /nfs/dbraw/zinc/31/33/50/1022313350.db2.gz DRLDEOUUHRVFPG-UHFFFAOYSA-N 2 2 312.379 3.768 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cc2)C1 ZINC000078704589 1022332165 /nfs/dbraw/zinc/33/21/65/1022332165.db2.gz VLZAKXOBANKQNS-SJLPKXTDSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cc2)C1 ZINC000078704589 1022332181 /nfs/dbraw/zinc/33/21/81/1022332181.db2.gz VLZAKXOBANKQNS-SJLPKXTDSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000078704589 1022332195 /nfs/dbraw/zinc/33/21/95/1022332195.db2.gz VLZAKXOBANKQNS-SJLPKXTDSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000078704589 1022332203 /nfs/dbraw/zinc/33/22/03/1022332203.db2.gz VLZAKXOBANKQNS-SJLPKXTDSA-N 2 2 304.453 3.912 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H](C)Cn3cc[nH+]c3)ccc2c1 ZINC000268851964 1022384595 /nfs/dbraw/zinc/38/45/95/1022384595.db2.gz WQAXMPBYJVJZHN-LSDHHAIUSA-N 2 2 309.413 3.784 20 0 DHADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000155681552 1022415556 /nfs/dbraw/zinc/41/55/56/1022415556.db2.gz KRXKACDDEHLWHM-MRXNPFEDSA-N 2 2 321.852 3.922 20 0 DHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2c(s1)CCCC2 ZINC000155844789 1022425172 /nfs/dbraw/zinc/42/51/72/1022425172.db2.gz QBZHQFKZCIVPDC-AWEZNQCLSA-N 2 2 303.475 3.954 20 0 DHADLP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CS2 ZINC001172199675 1033061658 /nfs/dbraw/zinc/06/16/58/1033061658.db2.gz WCWNKVZMDNGWEH-SJORKVTESA-N 2 2 316.514 3.700 20 0 DHADLP c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CS2 ZINC001172199675 1033061673 /nfs/dbraw/zinc/06/16/73/1033061673.db2.gz WCWNKVZMDNGWEH-SJORKVTESA-N 2 2 316.514 3.700 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000158243421 1022619990 /nfs/dbraw/zinc/61/99/90/1022619990.db2.gz WJZGIBSPYNUZQZ-LSDHHAIUSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000158243421 1022619995 /nfs/dbraw/zinc/61/99/95/1022619995.db2.gz WJZGIBSPYNUZQZ-LSDHHAIUSA-N 2 2 315.486 3.803 20 0 DHADLP CO[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)CC(C)C ZINC000417330421 1022687234 /nfs/dbraw/zinc/68/72/34/1022687234.db2.gz DPZBKDKDQMSBKO-CRAIPNDOSA-N 2 2 301.434 3.584 20 0 DHADLP CCn1c[nH+]cc1CNc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000417816238 1022859186 /nfs/dbraw/zinc/85/91/86/1022859186.db2.gz PNGDPMNPLAIDJY-UHFFFAOYSA-N 2 2 312.461 3.747 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc2c(c1)CCCO2 ZINC000768087304 1022878006 /nfs/dbraw/zinc/87/80/06/1022878006.db2.gz NJQDINKTQZYQRA-ROUUACIJSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc2c(c1)CCCO2 ZINC000768087304 1022878020 /nfs/dbraw/zinc/87/80/20/1022878020.db2.gz NJQDINKTQZYQRA-ROUUACIJSA-N 2 2 302.462 3.537 20 0 DHADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(C2CC2)cc1 ZINC000418117027 1022959634 /nfs/dbraw/zinc/95/96/34/1022959634.db2.gz SFBMAJFASLUNIL-ZDUSSCGKSA-N 2 2 315.486 3.933 20 0 DHADLP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000768516530 1022988435 /nfs/dbraw/zinc/98/84/35/1022988435.db2.gz WZPWMJLFUOUBGR-ZHALLVOQSA-N 2 2 312.457 3.711 20 0 DHADLP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000768516530 1022988446 /nfs/dbraw/zinc/98/84/46/1022988446.db2.gz WZPWMJLFUOUBGR-ZHALLVOQSA-N 2 2 312.457 3.711 20 0 DHADLP Cc1ccc([C@H](C[NH2+]C2CC(C(F)F)C2)[NH+]2CCCC2)cc1 ZINC000768685537 1023011602 /nfs/dbraw/zinc/01/16/02/1023011602.db2.gz DVFLZMVSJNHFBL-JCYILVPMSA-N 2 2 308.416 3.765 20 0 DHADLP FC(F)C1CC([NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000768687143 1023012597 /nfs/dbraw/zinc/01/25/97/1023012597.db2.gz LKABNGSGUJOOMR-OFLPRAFFSA-N 2 2 308.416 3.674 20 0 DHADLP FC(F)C1CC([NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000768687143 1023012610 /nfs/dbraw/zinc/01/26/10/1023012610.db2.gz LKABNGSGUJOOMR-OFLPRAFFSA-N 2 2 308.416 3.674 20 0 DHADLP Cc1cc(NCCC[N@H+]2CCCC[C@H]2C)cc(OC(F)F)[nH+]1 ZINC001167753676 1023042694 /nfs/dbraw/zinc/04/26/94/1023042694.db2.gz LODNFUSIAGXXMV-CYBMUJFWSA-N 2 2 313.392 3.668 20 0 DHADLP Cc1cc(NCCC[N@@H+]2CCCC[C@H]2C)cc(OC(F)F)[nH+]1 ZINC001167753676 1023042701 /nfs/dbraw/zinc/04/27/01/1023042701.db2.gz LODNFUSIAGXXMV-CYBMUJFWSA-N 2 2 313.392 3.668 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CCOCC1 ZINC000167884738 1023050112 /nfs/dbraw/zinc/05/01/12/1023050112.db2.gz ALOZANFVQQEEGL-CVEARBPZSA-N 2 2 304.478 3.521 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000364353953 1023076138 /nfs/dbraw/zinc/07/61/38/1023076138.db2.gz NWCDINOLMBZLMF-QZTJIDSGSA-N 2 2 319.493 3.585 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000364353953 1023076148 /nfs/dbraw/zinc/07/61/48/1023076148.db2.gz NWCDINOLMBZLMF-QZTJIDSGSA-N 2 2 319.493 3.585 20 0 DHADLP c1c[nH+]c(C2CC[NH+](Cc3ccccc3N3CCCCC3)CC2)[nH]1 ZINC000769188845 1023099459 /nfs/dbraw/zinc/09/94/59/1023099459.db2.gz KMXXLHZBCXBWPP-UHFFFAOYSA-N 2 2 324.472 3.780 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000769875962 1023238446 /nfs/dbraw/zinc/23/84/46/1023238446.db2.gz RGTCIVGOAQXBEI-KFWWJZLASA-N 2 2 307.482 3.564 20 0 DHADLP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172335071 1033119658 /nfs/dbraw/zinc/11/96/58/1033119658.db2.gz NWFOLUYKYNZRHU-HBFSDRIKSA-N 2 2 318.505 3.834 20 0 DHADLP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172335071 1033119665 /nfs/dbraw/zinc/11/96/65/1033119665.db2.gz NWFOLUYKYNZRHU-HBFSDRIKSA-N 2 2 318.505 3.834 20 0 DHADLP CC[C@H](C)OCC[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172352231 1033133965 /nfs/dbraw/zinc/13/39/65/1033133965.db2.gz QUQJLUDICZCZHW-CABCVRRESA-N 2 2 301.434 3.775 20 0 DHADLP COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000651687548 1023460937 /nfs/dbraw/zinc/46/09/37/1023460937.db2.gz GUBDMQDFSXATBU-HNNXBMFYSA-N 2 2 319.424 3.552 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000661372408 1023580173 /nfs/dbraw/zinc/58/01/73/1023580173.db2.gz BJGHCAZZZRFLQR-UHFFFAOYSA-N 2 2 324.255 3.947 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000661372408 1023580177 /nfs/dbraw/zinc/58/01/77/1023580177.db2.gz BJGHCAZZZRFLQR-UHFFFAOYSA-N 2 2 324.255 3.947 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000651949346 1023673967 /nfs/dbraw/zinc/67/39/67/1023673967.db2.gz JBIDXBDTLUSLCE-KRWDZBQOSA-N 2 2 320.452 3.890 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](c1cccnc1)C1CCCCC1)C2 ZINC000652199747 1023703241 /nfs/dbraw/zinc/70/32/41/1023703241.db2.gz AZGUBGAVGICOOI-VQIMIIECSA-N 2 2 310.445 3.573 20 0 DHADLP CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000746599876 1023720306 /nfs/dbraw/zinc/72/03/06/1023720306.db2.gz DXUUJBKMBRRIHD-LSBZLQRGSA-N 2 2 313.445 3.727 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788569409 1023909446 /nfs/dbraw/zinc/90/94/46/1023909446.db2.gz FZAACTIQIDCIDR-HNNXBMFYSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cc[nH]c(=O)c1 ZINC000788602301 1023911241 /nfs/dbraw/zinc/91/12/41/1023911241.db2.gz AUVGQDLEUCTFAQ-GJZGRUSLSA-N 2 2 313.445 3.567 20 0 DHADLP c1ccc2c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccnc2c1 ZINC000538798183 1033184252 /nfs/dbraw/zinc/18/42/52/1033184252.db2.gz QZXXDDKZQRGMGA-UWJYYQICSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccnc2c1 ZINC000538798183 1033184261 /nfs/dbraw/zinc/18/42/61/1033184261.db2.gz QZXXDDKZQRGMGA-UWJYYQICSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccnc2c1 ZINC000538798183 1033184267 /nfs/dbraw/zinc/18/42/67/1033184267.db2.gz QZXXDDKZQRGMGA-UWJYYQICSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccnc2c1 ZINC000538798183 1033184277 /nfs/dbraw/zinc/18/42/77/1033184277.db2.gz QZXXDDKZQRGMGA-UWJYYQICSA-N 2 2 321.468 3.684 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc2ccccc2s1 ZINC000130147931 1024134053 /nfs/dbraw/zinc/13/40/53/1024134053.db2.gz ONSKWXUYZMKNNS-MELADBBJSA-N 2 2 301.459 3.574 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc2ccccc2s1 ZINC000130147931 1024134059 /nfs/dbraw/zinc/13/40/59/1024134059.db2.gz ONSKWXUYZMKNNS-MELADBBJSA-N 2 2 301.459 3.574 20 0 DHADLP CSC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000876947085 1033189645 /nfs/dbraw/zinc/18/96/45/1033189645.db2.gz ZZLXWHPDIOBANF-UHFFFAOYSA-N 2 2 324.509 3.911 20 0 DHADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531728351 1024285929 /nfs/dbraw/zinc/28/59/29/1024285929.db2.gz SRTCQTPIIAYHLK-QWHCGFSZSA-N 2 2 300.899 3.654 20 0 DHADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531728351 1024285940 /nfs/dbraw/zinc/28/59/40/1024285940.db2.gz SRTCQTPIIAYHLK-QWHCGFSZSA-N 2 2 300.899 3.654 20 0 DHADLP CCC[C@H](C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000883258074 1024329901 /nfs/dbraw/zinc/32/99/01/1024329901.db2.gz QQJSXSOQTBGBGV-LNLFQRSKSA-N 2 2 303.494 3.708 20 0 DHADLP CCC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000883258074 1024329919 /nfs/dbraw/zinc/32/99/19/1024329919.db2.gz QQJSXSOQTBGBGV-LNLFQRSKSA-N 2 2 303.494 3.708 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccncc1 ZINC000453095641 1024330964 /nfs/dbraw/zinc/33/09/64/1024330964.db2.gz WPXJQNRYWALFNH-CVEARBPZSA-N 2 2 312.461 3.631 20 0 DHADLP C[C@@H](C[NH2+]Cc1c(Cl)oc2ccccc21)Cn1cc[nH+]c1 ZINC000270501894 1024398202 /nfs/dbraw/zinc/39/82/02/1024398202.db2.gz MPNITACDTZWPRS-LBPRGKRZSA-N 2 2 303.793 3.709 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000270646830 1024412372 /nfs/dbraw/zinc/41/23/72/1024412372.db2.gz KTGCPPQGIRYACH-INIZCTEOSA-N 2 2 321.877 3.635 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387948 1024422391 /nfs/dbraw/zinc/42/23/91/1024422391.db2.gz IXVKZIYOMUUJJR-APWZRJJASA-N 2 2 320.440 3.933 20 0 DHADLP Cc1nn(C(C)C)cc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883397284 1024428094 /nfs/dbraw/zinc/42/80/94/1024428094.db2.gz ITAKBULRAHOVPS-LJQANCHMSA-N 2 2 323.444 3.500 20 0 DHADLP C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000132211393 1024463124 /nfs/dbraw/zinc/46/31/24/1024463124.db2.gz JMZMRASTFJUZNH-OXQOHEQNSA-N 2 2 315.505 3.890 20 0 DHADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)nc1 ZINC000453426837 1024519387 /nfs/dbraw/zinc/51/93/87/1024519387.db2.gz OFYFJQGACNYZSU-NQIIRXRSSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)nc1 ZINC000453426837 1024519392 /nfs/dbraw/zinc/51/93/92/1024519392.db2.gz OFYFJQGACNYZSU-NQIIRXRSSA-N 2 2 323.484 3.575 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C(C)(C)C[NH+](C)C ZINC000453601526 1024547235 /nfs/dbraw/zinc/54/72/35/1024547235.db2.gz DPVXIONWDSTVCN-JLHYYAGUSA-N 2 2 312.404 3.621 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+]CC[N@@H+]3CC[C@H](C)C3)ccc2c1 ZINC000532239240 1024587968 /nfs/dbraw/zinc/58/79/68/1024587968.db2.gz YRWNDFMWXJAJSI-JKSUJKDBSA-N 2 2 312.457 3.841 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+]CC[N@H+]3CC[C@H](C)C3)ccc2c1 ZINC000532239240 1024587979 /nfs/dbraw/zinc/58/79/79/1024587979.db2.gz YRWNDFMWXJAJSI-JKSUJKDBSA-N 2 2 312.457 3.841 20 0 DHADLP Cc1cscc1C[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000373292254 1024675038 /nfs/dbraw/zinc/67/50/38/1024675038.db2.gz OAWNKUGMAKBEIR-UHFFFAOYSA-N 2 2 306.500 3.872 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)nc1 ZINC000760158606 1024675134 /nfs/dbraw/zinc/67/51/34/1024675134.db2.gz VRUVHESTESPMKP-GXTWGEPZSA-N 2 2 306.841 3.697 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)nc1 ZINC000760158608 1024675494 /nfs/dbraw/zinc/67/54/94/1024675494.db2.gz VRUVHESTESPMKP-JSGCOSHPSA-N 2 2 306.841 3.697 20 0 DHADLP Cc1[nH+]cn([C@@H](C)Cc2ccc(Cl)cc2)c1CSCC[NH3+] ZINC001168153023 1024677626 /nfs/dbraw/zinc/67/76/26/1024677626.db2.gz DFGOFTVEIKJLAR-LBPRGKRZSA-N 2 2 323.893 3.841 20 0 DHADLP C[NH+]1CCC([N@H+](C/C=C/c2ccncc2)Cc2ccccc2)CC1 ZINC000349235942 1024692610 /nfs/dbraw/zinc/69/26/10/1024692610.db2.gz CWLOHEUAEKLZIL-VMPITWQZSA-N 2 2 321.468 3.691 20 0 DHADLP C[NH+]1CCC([N@@H+](C/C=C/c2ccncc2)Cc2ccccc2)CC1 ZINC000349235942 1024692616 /nfs/dbraw/zinc/69/26/16/1024692616.db2.gz CWLOHEUAEKLZIL-VMPITWQZSA-N 2 2 321.468 3.691 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1csc(Br)c1 ZINC000349348953 1024706442 /nfs/dbraw/zinc/70/64/42/1024706442.db2.gz NTGHVFIKUPCEFH-UHFFFAOYSA-N 2 2 319.312 3.674 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1csc(Br)c1 ZINC000349348953 1024706453 /nfs/dbraw/zinc/70/64/53/1024706453.db2.gz NTGHVFIKUPCEFH-UHFFFAOYSA-N 2 2 319.312 3.674 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001170283967 1024737355 /nfs/dbraw/zinc/73/73/55/1024737355.db2.gz CIDUTAJMMNNLFV-ZFWWWQNUSA-N 2 2 303.837 3.807 20 0 DHADLP c1c[nH+]c(C2CC[NH+](CCSCc3ccccc3)CC2)[nH]1 ZINC000279121399 1024745096 /nfs/dbraw/zinc/74/50/96/1024745096.db2.gz UOXWRJUMZNZUBD-UHFFFAOYSA-N 2 2 301.459 3.523 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000349964690 1024774770 /nfs/dbraw/zinc/77/47/70/1024774770.db2.gz KKJYGBJPAVXZOK-FUHWJXTLSA-N 2 2 319.493 3.535 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000349964690 1024774784 /nfs/dbraw/zinc/77/47/84/1024774784.db2.gz KKJYGBJPAVXZOK-FUHWJXTLSA-N 2 2 319.493 3.535 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)CC[N@@H+]1C ZINC000168533203 1024784966 /nfs/dbraw/zinc/78/49/66/1024784966.db2.gz KVRLSCUFMDDLNQ-YSGRDPCXSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)CC[N@H+]1C ZINC000168533203 1024784972 /nfs/dbraw/zinc/78/49/72/1024784972.db2.gz KVRLSCUFMDDLNQ-YSGRDPCXSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000643462570 1024802512 /nfs/dbraw/zinc/80/25/12/1024802512.db2.gz VBRPCEZWJMNQEW-DOTOQJQBSA-N 2 2 313.445 3.742 20 0 DHADLP C[N@H+](CC[NH3+])Cc1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC001204700077 1024856212 /nfs/dbraw/zinc/85/62/12/1024856212.db2.gz WTQDDPLWPOIYTR-UHFFFAOYSA-N 2 2 324.346 3.643 20 0 DHADLP C[N@@H+](CC[NH3+])Cc1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC001204700077 1024856232 /nfs/dbraw/zinc/85/62/32/1024856232.db2.gz WTQDDPLWPOIYTR-UHFFFAOYSA-N 2 2 324.346 3.643 20 0 DHADLP Cc1occc1C[NH+](C)[C@H](C)CC[N@H+](C)Cc1ccoc1C ZINC000434715574 1024938264 /nfs/dbraw/zinc/93/82/64/1024938264.db2.gz ZYMXOIAGTVJYMI-CQSZACIVSA-N 2 2 304.434 3.832 20 0 DHADLP Cc1occc1C[NH+](C)[C@H](C)CC[N@@H+](C)Cc1ccoc1C ZINC000434715574 1024938277 /nfs/dbraw/zinc/93/82/77/1024938277.db2.gz ZYMXOIAGTVJYMI-CQSZACIVSA-N 2 2 304.434 3.832 20 0 DHADLP Cc1occc1C[NH+](C)CC[C@@H](C)[N@H+](C)Cc1ccoc1C ZINC000434715574 1024938290 /nfs/dbraw/zinc/93/82/90/1024938290.db2.gz ZYMXOIAGTVJYMI-CQSZACIVSA-N 2 2 304.434 3.832 20 0 DHADLP Cc1occc1C[NH+](C)CC[C@@H](C)[N@@H+](C)Cc1ccoc1C ZINC000434715574 1024938300 /nfs/dbraw/zinc/93/83/00/1024938300.db2.gz ZYMXOIAGTVJYMI-CQSZACIVSA-N 2 2 304.434 3.832 20 0 DHADLP C[C@H]1C[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CS1 ZINC000877130837 1033249007 /nfs/dbraw/zinc/24/90/07/1033249007.db2.gz OPTNEJUPVXNVJI-HOCLYGCPSA-N 2 2 319.518 3.523 20 0 DHADLP CC1(Nc2ccc3c(c2)[nH+]cn3-c2ccccc2)CC[NH2+]CC1 ZINC001168186110 1025004087 /nfs/dbraw/zinc/00/40/87/1025004087.db2.gz SBKPLRICYLKQSD-UHFFFAOYSA-N 2 2 306.413 3.580 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001168186635 1025012232 /nfs/dbraw/zinc/01/22/32/1025012232.db2.gz CAWPXQSUWLIAJF-AWEZNQCLSA-N 2 2 303.837 3.805 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)CCC2 ZINC000353344653 1025034673 /nfs/dbraw/zinc/03/46/73/1025034673.db2.gz VNWDHIQGBSYEFI-ZFWWWQNUSA-N 2 2 311.420 3.873 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)ccc1OC ZINC000353640509 1025170228 /nfs/dbraw/zinc/17/02/28/1025170228.db2.gz HKVCGMRJWZHJND-JSGCOSHPSA-N 2 2 319.836 3.670 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@@H]1C ZINC000353748781 1025231416 /nfs/dbraw/zinc/23/14/16/1025231416.db2.gz JBABOCSXEWQRDU-YOEHRIQHSA-N 2 2 320.525 3.560 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@@H]1C ZINC000353748781 1025231452 /nfs/dbraw/zinc/23/14/52/1025231452.db2.gz JBABOCSXEWQRDU-YOEHRIQHSA-N 2 2 320.525 3.560 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@@H]1C ZINC000353748781 1025231472 /nfs/dbraw/zinc/23/14/72/1025231472.db2.gz JBABOCSXEWQRDU-YOEHRIQHSA-N 2 2 320.525 3.560 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@@H]1C ZINC000353748781 1025231494 /nfs/dbraw/zinc/23/14/94/1025231494.db2.gz JBABOCSXEWQRDU-YOEHRIQHSA-N 2 2 320.525 3.560 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(CC(C)C)s2)C[C@H]1C ZINC000353764834 1025241837 /nfs/dbraw/zinc/24/18/37/1025241837.db2.gz AOWYCLLPMGIWBK-CABCVRRESA-N 2 2 309.523 3.646 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(CC(C)C)s2)C[C@H]1C ZINC000353764834 1025241848 /nfs/dbraw/zinc/24/18/48/1025241848.db2.gz AOWYCLLPMGIWBK-CABCVRRESA-N 2 2 309.523 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(CC(C)C)s2)C[C@H]1C ZINC000353764834 1025241859 /nfs/dbraw/zinc/24/18/59/1025241859.db2.gz AOWYCLLPMGIWBK-CABCVRRESA-N 2 2 309.523 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(CC(C)C)s2)C[C@H]1C ZINC000353764834 1025241867 /nfs/dbraw/zinc/24/18/67/1025241867.db2.gz AOWYCLLPMGIWBK-CABCVRRESA-N 2 2 309.523 3.646 20 0 DHADLP CCCNc1nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)[nH+]cc1C ZINC001170448357 1025274870 /nfs/dbraw/zinc/27/48/70/1025274870.db2.gz WFLAQXALMVSTQK-UHFFFAOYSA-N 2 2 319.497 3.670 20 0 DHADLP CC(C)Oc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc[nH+]1 ZINC001170450196 1025287855 /nfs/dbraw/zinc/28/78/55/1025287855.db2.gz GKVNNFUIXCWKBC-UHFFFAOYSA-N 2 2 305.466 3.932 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccc3oc4ccccc4c3c1)CC2 ZINC000893707601 1025338200 /nfs/dbraw/zinc/33/82/00/1025338200.db2.gz WEMNOVWXQVLCEQ-OAHLLOKOSA-N 2 2 317.392 3.887 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000354396274 1025422887 /nfs/dbraw/zinc/42/28/87/1025422887.db2.gz UBLSWUVTRCYQCK-MAUKXSAKSA-N 2 2 310.445 3.649 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000354396274 1025422891 /nfs/dbraw/zinc/42/28/91/1025422891.db2.gz UBLSWUVTRCYQCK-MAUKXSAKSA-N 2 2 310.445 3.649 20 0 DHADLP Cc1coc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000886042102 1025448705 /nfs/dbraw/zinc/44/87/05/1025448705.db2.gz VLZRSBRMDHRRSB-IBGZPJMESA-N 2 2 309.413 3.932 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000354636288 1025469693 /nfs/dbraw/zinc/46/96/93/1025469693.db2.gz SCZICKOAEKGPGQ-LOWDOPEQSA-N 2 2 321.877 3.695 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@H](C)OCc1ccccc1 ZINC000354858501 1025525832 /nfs/dbraw/zinc/52/58/32/1025525832.db2.gz KOEZPFJHASFXNY-SXLOBPIMSA-N 2 2 316.489 3.540 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@H](C)OCc1ccccc1 ZINC000354858501 1025525843 /nfs/dbraw/zinc/52/58/43/1025525843.db2.gz KOEZPFJHASFXNY-SXLOBPIMSA-N 2 2 316.489 3.540 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)OCc1ccccc1 ZINC000354858501 1025525853 /nfs/dbraw/zinc/52/58/53/1025525853.db2.gz KOEZPFJHASFXNY-SXLOBPIMSA-N 2 2 316.489 3.540 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](C)OCc1ccccc1 ZINC000354858501 1025525866 /nfs/dbraw/zinc/52/58/66/1025525866.db2.gz KOEZPFJHASFXNY-SXLOBPIMSA-N 2 2 316.489 3.540 20 0 DHADLP COC1CCC(C)(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000355120941 1025609860 /nfs/dbraw/zinc/60/98/60/1025609860.db2.gz KBULNCGZRRGZIA-UHFFFAOYSA-N 2 2 319.474 3.619 20 0 DHADLP c1cn(-c2csc(C[NH2+]Cc3ccc4ncccc4c3)c2)c[nH+]1 ZINC000355282956 1025666935 /nfs/dbraw/zinc/66/69/35/1025666935.db2.gz BDHGSZMAUSQHOR-UHFFFAOYSA-N 2 2 320.421 3.772 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C3CC3)C3CCCC3)sc2C1 ZINC000359864946 1025726465 /nfs/dbraw/zinc/72/64/65/1025726465.db2.gz DZHHNQGQWKEYIZ-UHFFFAOYSA-N 2 2 319.518 3.817 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C3CC3)C3CCCC3)sc2C1 ZINC000359864946 1025726486 /nfs/dbraw/zinc/72/64/86/1025726486.db2.gz DZHHNQGQWKEYIZ-UHFFFAOYSA-N 2 2 319.518 3.817 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C3CC3)C3CCCC3)sc2C1 ZINC000359864946 1025726499 /nfs/dbraw/zinc/72/64/99/1025726499.db2.gz DZHHNQGQWKEYIZ-UHFFFAOYSA-N 2 2 319.518 3.817 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C3CC3)C3CCCC3)sc2C1 ZINC000359864946 1025726516 /nfs/dbraw/zinc/72/65/16/1025726516.db2.gz DZHHNQGQWKEYIZ-UHFFFAOYSA-N 2 2 319.518 3.817 20 0 DHADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000886651633 1025762998 /nfs/dbraw/zinc/76/29/98/1025762998.db2.gz MGJFDHKPYDRMEW-OTWHNJEPSA-N 2 2 313.445 3.562 20 0 DHADLP c1cc2c(cccc2C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)[nH]1 ZINC000236766413 1025985565 /nfs/dbraw/zinc/98/55/65/1025985565.db2.gz XACVHGUJQSXLBB-UHFFFAOYSA-N 2 2 316.408 3.703 20 0 DHADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245546467 1026070183 /nfs/dbraw/zinc/07/01/83/1026070183.db2.gz WMWZSIIJXYRERS-ICSRJNTNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245546467 1026070199 /nfs/dbraw/zinc/07/01/99/1026070199.db2.gz WMWZSIIJXYRERS-ICSRJNTNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccnc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245546467 1026070218 /nfs/dbraw/zinc/07/02/18/1026070218.db2.gz WMWZSIIJXYRERS-ICSRJNTNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccnc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245546467 1026070232 /nfs/dbraw/zinc/07/02/32/1026070232.db2.gz WMWZSIIJXYRERS-ICSRJNTNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncsc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245572993 1026082397 /nfs/dbraw/zinc/08/23/97/1026082397.db2.gz YQHLJMABMKDSJL-GDBMZVCRSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncsc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245572993 1026082407 /nfs/dbraw/zinc/08/24/07/1026082407.db2.gz YQHLJMABMKDSJL-GDBMZVCRSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncsc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245572993 1026082426 /nfs/dbraw/zinc/08/24/26/1026082426.db2.gz YQHLJMABMKDSJL-GDBMZVCRSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncsc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245572993 1026082460 /nfs/dbraw/zinc/08/24/60/1026082460.db2.gz YQHLJMABMKDSJL-GDBMZVCRSA-N 2 2 307.507 3.538 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccns1 ZINC000924876063 1026083450 /nfs/dbraw/zinc/08/34/50/1026083450.db2.gz ZSUQRSONNTYVEP-ZIAGYGMSSA-N 2 2 321.515 3.767 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccns1 ZINC000924876063 1026083461 /nfs/dbraw/zinc/08/34/61/1026083461.db2.gz ZSUQRSONNTYVEP-ZIAGYGMSSA-N 2 2 321.515 3.767 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC[N@@H+]1C ZINC000245590766 1026090993 /nfs/dbraw/zinc/09/09/93/1026090993.db2.gz LDQYJZZHPCKUFA-KCPJHIHWSA-N 2 2 318.358 3.892 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC[N@H+]1C ZINC000245590766 1026091010 /nfs/dbraw/zinc/09/10/10/1026091010.db2.gz LDQYJZZHPCKUFA-KCPJHIHWSA-N 2 2 318.358 3.892 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000356976439 1026255081 /nfs/dbraw/zinc/25/50/81/1026255081.db2.gz CRHDDIJWVIVMOK-INIZCTEOSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000356976439 1026255096 /nfs/dbraw/zinc/25/50/96/1026255096.db2.gz CRHDDIJWVIVMOK-INIZCTEOSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000808698278 1026372379 /nfs/dbraw/zinc/37/23/79/1026372379.db2.gz LLBNPNLZZQOMQS-BEFAXECRSA-N 2 2 311.473 3.928 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000808698278 1026372389 /nfs/dbraw/zinc/37/23/89/1026372389.db2.gz LLBNPNLZZQOMQS-BEFAXECRSA-N 2 2 311.473 3.928 20 0 DHADLP C[C@H](C[NH2+]Cc1cc2ccnc(Cl)c2s1)Cn1cc[nH+]c1 ZINC000894206388 1026376588 /nfs/dbraw/zinc/37/65/88/1026376588.db2.gz HPTPCGPZQCFXEU-LLVKDONJSA-N 2 2 320.849 3.572 20 0 DHADLP Cl/C=C\C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747530966 1026404985 /nfs/dbraw/zinc/40/49/85/1026404985.db2.gz ARMQOFPEWRYNOA-CXKPLTABSA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C\C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747530966 1026404998 /nfs/dbraw/zinc/40/49/98/1026404998.db2.gz ARMQOFPEWRYNOA-CXKPLTABSA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C\C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747530966 1026405000 /nfs/dbraw/zinc/40/50/00/1026405000.db2.gz ARMQOFPEWRYNOA-CXKPLTABSA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C\C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747530966 1026405007 /nfs/dbraw/zinc/40/50/07/1026405007.db2.gz ARMQOFPEWRYNOA-CXKPLTABSA-N 2 2 304.865 3.727 20 0 DHADLP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C)cc1 ZINC000809540262 1026548913 /nfs/dbraw/zinc/54/89/13/1026548913.db2.gz ORJZOWOHTLMVNV-UHFFFAOYSA-N 2 2 317.502 3.925 20 0 DHADLP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C)cc1 ZINC000809540262 1026548921 /nfs/dbraw/zinc/54/89/21/1026548921.db2.gz ORJZOWOHTLMVNV-UHFFFAOYSA-N 2 2 317.502 3.925 20 0 DHADLP CC(C)c1oc([C@H]2CCC[N@@H+]2CCC[NH3+])nc1-c1ccccc1 ZINC000420316940 1026803533 /nfs/dbraw/zinc/80/35/33/1026803533.db2.gz MPCSAIWWQFNRRO-MRXNPFEDSA-N 2 2 313.445 3.951 20 0 DHADLP CC(C)c1oc([C@H]2CCC[N@H+]2CCC[NH3+])nc1-c1ccccc1 ZINC000420316940 1026803542 /nfs/dbraw/zinc/80/35/42/1026803542.db2.gz MPCSAIWWQFNRRO-MRXNPFEDSA-N 2 2 313.445 3.951 20 0 DHADLP CC(C)([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000420907318 1026875156 /nfs/dbraw/zinc/87/51/56/1026875156.db2.gz VCTDOPFHFDNTNI-UHFFFAOYSA-N 2 2 324.468 3.544 20 0 DHADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000295181954 1027130775 /nfs/dbraw/zinc/13/07/75/1027130775.db2.gz MVYHSDOUWCSISO-AWEZNQCLSA-N 2 2 321.515 3.515 20 0 DHADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000295181954 1027130749 /nfs/dbraw/zinc/13/07/49/1027130749.db2.gz MVYHSDOUWCSISO-AWEZNQCLSA-N 2 2 321.515 3.515 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000295266329 1027164775 /nfs/dbraw/zinc/16/47/75/1027164775.db2.gz VGOPICNCUJOQHI-FUHWJXTLSA-N 2 2 316.489 3.807 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000572167177 1027177340 /nfs/dbraw/zinc/17/73/40/1027177340.db2.gz UBZSYYIJNCSKML-JTQLQIEISA-N 2 2 307.290 3.875 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000572167177 1027177352 /nfs/dbraw/zinc/17/73/52/1027177352.db2.gz UBZSYYIJNCSKML-JTQLQIEISA-N 2 2 307.290 3.875 20 0 DHADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000272053504 1027208219 /nfs/dbraw/zinc/20/82/19/1027208219.db2.gz ZZLMZEGBHQLFJV-CYBMUJFWSA-N 2 2 311.351 3.985 20 0 DHADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000272053504 1027208232 /nfs/dbraw/zinc/20/82/32/1027208232.db2.gz ZZLMZEGBHQLFJV-CYBMUJFWSA-N 2 2 311.351 3.985 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)CO2 ZINC000573113032 1027262156 /nfs/dbraw/zinc/26/21/56/1027262156.db2.gz WYRPCNALAVTWTQ-SXLOBPIMSA-N 2 2 322.452 3.854 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)CO2 ZINC000573113032 1027262162 /nfs/dbraw/zinc/26/21/62/1027262162.db2.gz WYRPCNALAVTWTQ-SXLOBPIMSA-N 2 2 322.452 3.854 20 0 DHADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000422562025 1027283733 /nfs/dbraw/zinc/28/37/33/1027283733.db2.gz PAIOSMKERQSIDB-FRRDWIJNSA-N 2 2 321.515 3.677 20 0 DHADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000422562025 1027283751 /nfs/dbraw/zinc/28/37/51/1027283751.db2.gz PAIOSMKERQSIDB-FRRDWIJNSA-N 2 2 321.515 3.677 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC2CC2)c2ccccc21 ZINC000422755838 1027312962 /nfs/dbraw/zinc/31/29/62/1027312962.db2.gz BRLOXOQTEBJYMJ-RBUKOAKNSA-N 2 2 308.425 3.710 20 0 DHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422863315 1027344052 /nfs/dbraw/zinc/34/40/52/1027344052.db2.gz OOFACWVSVQUTGT-RTWAWAEBSA-N 3 2 323.484 3.761 20 0 DHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422863315 1027344069 /nfs/dbraw/zinc/34/40/69/1027344069.db2.gz OOFACWVSVQUTGT-RTWAWAEBSA-N 3 2 323.484 3.761 20 0 DHADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422888372 1027350893 /nfs/dbraw/zinc/35/08/93/1027350893.db2.gz MYYFVKKHMOZLMX-HZPDHXFCSA-N 2 2 302.805 3.583 20 0 DHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000422967028 1027373365 /nfs/dbraw/zinc/37/33/65/1027373365.db2.gz SBMJCFAOTBQCFA-FOIQADDNSA-N 2 2 321.424 3.882 20 0 DHADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)c1cccnc1 ZINC000574558404 1027404226 /nfs/dbraw/zinc/40/42/26/1027404226.db2.gz IMLUDNUZIJYCLE-AWEZNQCLSA-N 2 2 312.442 3.912 20 0 DHADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)c1cccnc1 ZINC000574558404 1027404233 /nfs/dbraw/zinc/40/42/33/1027404233.db2.gz IMLUDNUZIJYCLE-AWEZNQCLSA-N 2 2 312.442 3.912 20 0 DHADLP C[C@H]([NH2+][C@H]1CCCc2sc(Cl)cc21)c1c[nH+]ccc1N ZINC000423131790 1027428137 /nfs/dbraw/zinc/42/81/37/1027428137.db2.gz OJSYBBDRLGTOJQ-ZANVPECISA-N 2 2 307.850 3.937 20 0 DHADLP CC(C)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000423232400 1027467306 /nfs/dbraw/zinc/46/73/06/1027467306.db2.gz CCRIXEUHNGTECD-ROUUACIJSA-N 2 2 304.384 3.952 20 0 DHADLP CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccccc1OC(F)F ZINC000423258583 1027479201 /nfs/dbraw/zinc/47/92/01/1027479201.db2.gz CAEBNUWAMVWTLQ-GXTWGEPZSA-N 2 2 300.393 3.702 20 0 DHADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1OCc1ccccc1 ZINC000423283025 1027484037 /nfs/dbraw/zinc/48/40/37/1027484037.db2.gz VQTZESGFAWIVOF-HNAYVOBHSA-N 2 2 310.441 3.654 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423293567 1027487367 /nfs/dbraw/zinc/48/73/67/1027487367.db2.gz RSZSYZWIEQIACV-JKSUJKDBSA-N 3 2 320.440 3.743 20 0 DHADLP CCC(C)(C)[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000562562729 1027502446 /nfs/dbraw/zinc/50/24/46/1027502446.db2.gz XJBOZOSXCVIWTM-HNNXBMFYSA-N 2 2 318.509 3.849 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)s1 ZINC000423304007 1027506885 /nfs/dbraw/zinc/50/68/85/1027506885.db2.gz XZJCWPKWSHTSQZ-NXEZZACHSA-N 2 2 305.285 3.679 20 0 DHADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2ccccc2c1OC(F)F ZINC000423332395 1027510422 /nfs/dbraw/zinc/51/04/22/1027510422.db2.gz VCZBXAZNMWDGDW-MEDUHNTESA-N 2 2 320.383 3.829 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423373060 1027518494 /nfs/dbraw/zinc/51/84/94/1027518494.db2.gz HASDEXNRUCSYAN-NEPJUHHUSA-N 2 2 320.424 3.990 20 0 DHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423361994 1027520864 /nfs/dbraw/zinc/52/08/64/1027520864.db2.gz HKNYYLBDDDIAKU-UWVGGRQHSA-N 2 2 309.866 3.770 20 0 DHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423361995 1027521442 /nfs/dbraw/zinc/52/14/42/1027521442.db2.gz HKNYYLBDDDIAKU-VHSXEESVSA-N 2 2 309.866 3.770 20 0 DHADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423447911 1027543330 /nfs/dbraw/zinc/54/33/30/1027543330.db2.gz PGXDRVXVFJRXGY-HOTUBEGUSA-N 2 2 303.233 3.532 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423503651 1027568329 /nfs/dbraw/zinc/56/83/29/1027568329.db2.gz MYJVOZQEPLQOCE-RTBURBONSA-N 2 2 310.441 3.622 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000423497442 1027573063 /nfs/dbraw/zinc/57/30/63/1027573063.db2.gz GZKQYPLFUIFONH-BEFAXECRSA-N 2 2 311.473 3.666 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(Cl)cn1 ZINC000423533195 1027577107 /nfs/dbraw/zinc/57/71/07/1027577107.db2.gz XAVCRUXTSJPAMQ-NSVFZLEXSA-N 2 2 319.880 3.539 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423573180 1027589619 /nfs/dbraw/zinc/58/96/19/1027589619.db2.gz ZCHIBALGDGGZPN-CJNGLKHVSA-N 2 2 315.486 3.911 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000363356038 1027606518 /nfs/dbraw/zinc/60/65/18/1027606518.db2.gz JXNQKYCRDIVASM-GFCCVEGCSA-N 2 2 324.881 3.781 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc(Cl)s1 ZINC000363356038 1027606523 /nfs/dbraw/zinc/60/65/23/1027606523.db2.gz JXNQKYCRDIVASM-GFCCVEGCSA-N 2 2 324.881 3.781 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527633550 1027793290 /nfs/dbraw/zinc/79/32/90/1027793290.db2.gz VGCJBPPOHNRNAB-UHFFFAOYSA-N 2 2 306.397 3.731 20 0 DHADLP CC(C)c1nccn1[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000364579431 1027843861 /nfs/dbraw/zinc/84/38/61/1027843861.db2.gz MDWARLZZFFWINF-SFHVURJKSA-N 2 2 318.509 3.519 20 0 DHADLP CC(C)c1nccn1[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000364579431 1027843883 /nfs/dbraw/zinc/84/38/83/1027843883.db2.gz MDWARLZZFFWINF-SFHVURJKSA-N 2 2 318.509 3.519 20 0 DHADLP c1cc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)ccc2cn1 ZINC000527750841 1027876460 /nfs/dbraw/zinc/87/64/60/1027876460.db2.gz CCDLNDVMDXHKGQ-FQEVSTJZSA-N 2 2 309.457 3.731 20 0 DHADLP c1cc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)ccc2cn1 ZINC000527750841 1027876481 /nfs/dbraw/zinc/87/64/81/1027876481.db2.gz CCDLNDVMDXHKGQ-FQEVSTJZSA-N 2 2 309.457 3.731 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000527805477 1027904585 /nfs/dbraw/zinc/90/45/85/1027904585.db2.gz AORYAMIZGOPSPF-REMYHPOOSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000527805477 1027904603 /nfs/dbraw/zinc/90/46/03/1027904603.db2.gz AORYAMIZGOPSPF-REMYHPOOSA-N 2 2 306.400 3.585 20 0 DHADLP FC(F)C1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527946100 1027979587 /nfs/dbraw/zinc/97/95/87/1027979587.db2.gz GOUQYLGMPJNXFF-ZBCRRDGASA-N 2 2 300.437 3.807 20 0 DHADLP FC(F)C1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527946100 1027979602 /nfs/dbraw/zinc/97/96/02/1027979602.db2.gz GOUQYLGMPJNXFF-ZBCRRDGASA-N 2 2 300.437 3.807 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000365613362 1027981838 /nfs/dbraw/zinc/98/18/38/1027981838.db2.gz PAWGKNSWRBDWKT-FZMZJTMJSA-N 2 2 323.362 3.679 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000814290977 1027992577 /nfs/dbraw/zinc/99/25/77/1027992577.db2.gz VGPJIXQAKLQVQC-KJCUYJGMSA-N 2 2 316.489 3.700 20 0 DHADLP Fc1ccc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000528009179 1028039838 /nfs/dbraw/zinc/03/98/38/1028039838.db2.gz HFNYZGUYLSOBAB-GXOAENINSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccc(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C2)cc1 ZINC000528009179 1028039853 /nfs/dbraw/zinc/03/98/53/1028039853.db2.gz HFNYZGUYLSOBAB-GXOAENINSA-N 2 2 302.437 3.678 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc2ccccc2n1 ZINC000366432227 1028078401 /nfs/dbraw/zinc/07/84/01/1028078401.db2.gz MKUPVAUZHXOLDE-ZLPCBKJTSA-N 2 2 309.457 3.902 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(F)c(F)c(F)c1 ZINC000366428405 1028079077 /nfs/dbraw/zinc/07/90/77/1028079077.db2.gz DVQALUPAXGTTKN-XGNXJENSSA-N 2 2 312.379 3.771 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnoc2C2CC2)cc1 ZINC000367819662 1028243637 /nfs/dbraw/zinc/24/36/37/1028243637.db2.gz DMZAQGRIMVRLGT-CYBMUJFWSA-N 2 2 322.412 3.897 20 0 DHADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098945 1028298291 /nfs/dbraw/zinc/29/82/91/1028298291.db2.gz DGJMLVLXMXKJNS-PWSUYJOCSA-N 2 2 304.463 3.506 20 0 DHADLP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(F)c1 ZINC000368101519 1028298639 /nfs/dbraw/zinc/29/86/39/1028298639.db2.gz KXAUOFOOQMOVNV-YVEFUNNKSA-N 2 2 305.372 3.532 20 0 DHADLP c1c2cccnc2oc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000449065080 1028299559 /nfs/dbraw/zinc/29/95/59/1028299559.db2.gz XLRFETSDKKHMBZ-UHFFFAOYSA-N 2 2 321.424 3.582 20 0 DHADLP CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368097884 1028299884 /nfs/dbraw/zinc/29/98/84/1028299884.db2.gz ACNRSOZQSVLCMJ-HOCLYGCPSA-N 2 2 313.445 3.653 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCS2 ZINC000368099541 1028300295 /nfs/dbraw/zinc/30/02/95/1028300295.db2.gz FYFZLPZAPWLACC-WCQYABFASA-N 2 2 319.861 3.747 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCS2 ZINC000368099535 1028301513 /nfs/dbraw/zinc/30/15/13/1028301513.db2.gz FYFZLPZAPWLACC-AAEUAGOBSA-N 2 2 319.861 3.747 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103923 1028301846 /nfs/dbraw/zinc/30/18/46/1028301846.db2.gz ZHCBZWYGQLUXPB-SMDDNHRTSA-N 2 2 323.362 3.507 20 0 DHADLP C[N@H+](CCC[NH2+]Cc1ccnn1C1CCCC1)C1CCCCC1 ZINC000449064882 1028302635 /nfs/dbraw/zinc/30/26/35/1028302635.db2.gz WSWXLGFDXFKLNF-UHFFFAOYSA-N 2 2 318.509 3.742 20 0 DHADLP C[N@@H+](CCC[NH2+]Cc1ccnn1C1CCCC1)C1CCCCC1 ZINC000449064882 1028302650 /nfs/dbraw/zinc/30/26/50/1028302650.db2.gz WSWXLGFDXFKLNF-UHFFFAOYSA-N 2 2 318.509 3.742 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000449090311 1028361941 /nfs/dbraw/zinc/36/19/41/1028361941.db2.gz GOPDUYVLVNIWHU-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000449090311 1028361960 /nfs/dbraw/zinc/36/19/60/1028361960.db2.gz GOPDUYVLVNIWHU-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP Cc1csc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)n1 ZINC000368548453 1028368393 /nfs/dbraw/zinc/36/83/93/1028368393.db2.gz OIFREIKPHDZDDH-CQSZACIVSA-N 2 2 304.463 3.609 20 0 DHADLP Cc1csc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)n1 ZINC000368548453 1028368408 /nfs/dbraw/zinc/36/84/08/1028368408.db2.gz OIFREIKPHDZDDH-CQSZACIVSA-N 2 2 304.463 3.609 20 0 DHADLP C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000449143855 1028398864 /nfs/dbraw/zinc/39/88/64/1028398864.db2.gz XWRFTUBYTAYCFW-HOTGVXAUSA-N 2 2 300.446 3.930 20 0 DHADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000449155889 1028407950 /nfs/dbraw/zinc/40/79/50/1028407950.db2.gz CHYZQHLDPGFXFI-XJKSGUPXSA-N 2 2 321.515 3.686 20 0 DHADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000449155889 1028407957 /nfs/dbraw/zinc/40/79/57/1028407957.db2.gz CHYZQHLDPGFXFI-XJKSGUPXSA-N 2 2 321.515 3.686 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)c2ccccc21 ZINC000564825906 1028508152 /nfs/dbraw/zinc/50/81/52/1028508152.db2.gz QAEBJRNBPBJCDT-RTBURBONSA-N 2 2 323.440 3.637 20 0 DHADLP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370172200 1028575220 /nfs/dbraw/zinc/57/52/20/1028575220.db2.gz JLRFPHAQQWUTDN-QMMLZNLJSA-N 2 2 323.484 3.604 20 0 DHADLP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370172200 1028575236 /nfs/dbraw/zinc/57/52/36/1028575236.db2.gz JLRFPHAQQWUTDN-QMMLZNLJSA-N 2 2 323.484 3.604 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccsc2S1 ZINC000565451948 1028589898 /nfs/dbraw/zinc/58/98/98/1028589898.db2.gz WJKCZHMFGMMDNY-CWSCBRNRSA-N 2 2 305.472 3.544 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)o1 ZINC000370631040 1028627120 /nfs/dbraw/zinc/62/71/20/1028627120.db2.gz ZUHJURNZUYVKOU-SJLPKXTDSA-N 2 2 313.445 3.546 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)o1 ZINC000370631040 1028627125 /nfs/dbraw/zinc/62/71/25/1028627125.db2.gz ZUHJURNZUYVKOU-SJLPKXTDSA-N 2 2 313.445 3.546 20 0 DHADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566010431 1028667168 /nfs/dbraw/zinc/66/71/68/1028667168.db2.gz VEZSPFQMONNEMX-CJNGLKHVSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566010431 1028667175 /nfs/dbraw/zinc/66/71/75/1028667175.db2.gz VEZSPFQMONNEMX-CJNGLKHVSA-N 2 2 323.278 3.586 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccnc2Cl)[C@@H]1c1ccccc1 ZINC000371721627 1028750095 /nfs/dbraw/zinc/75/00/95/1028750095.db2.gz AMBUPMYZHFUUCT-WBVHZDCISA-N 2 2 315.848 3.518 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]Cc2cccnc2Cl)[C@@H]1c1ccccc1 ZINC000371721627 1028750107 /nfs/dbraw/zinc/75/01/07/1028750107.db2.gz AMBUPMYZHFUUCT-WBVHZDCISA-N 2 2 315.848 3.518 20 0 DHADLP C[C@H]1Oc2c(cccc2F)[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000371978612 1028786291 /nfs/dbraw/zinc/78/62/91/1028786291.db2.gz ITQZURRMVSKXDQ-FZKQIMNGSA-N 2 2 323.371 3.623 20 0 DHADLP CC1([NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC[NH2+]CC1 ZINC000567356049 1028879467 /nfs/dbraw/zinc/87/94/67/1028879467.db2.gz HOKWXECWCXRZSS-UHFFFAOYSA-N 2 2 321.877 3.695 20 0 DHADLP COC1(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)CCC1 ZINC000372997172 1028932651 /nfs/dbraw/zinc/93/26/51/1028932651.db2.gz MZIBQESBSIEYJB-HNNXBMFYSA-N 2 2 322.518 3.650 20 0 DHADLP Cc1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000628217708 1028946416 /nfs/dbraw/zinc/94/64/16/1028946416.db2.gz HNFLFTNVUAZSMT-WMLDXEAASA-N 2 2 319.474 3.526 20 0 DHADLP Cc1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000628217708 1028946423 /nfs/dbraw/zinc/94/64/23/1028946423.db2.gz HNFLFTNVUAZSMT-WMLDXEAASA-N 2 2 319.474 3.526 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628217252 1028947295 /nfs/dbraw/zinc/94/72/95/1028947295.db2.gz QAOYTDQGBWNCFT-KRWDZBQOSA-N 2 2 318.505 3.578 20 0 DHADLP C[C@@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)n1c[nH+]c2c1CCCC2 ZINC000628371946 1029019038 /nfs/dbraw/zinc/01/90/38/1029019038.db2.gz PJDSUEBFFLIJPJ-FUHWJXTLSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1c[nH+]c2c1CCCC2 ZINC000628371946 1029019055 /nfs/dbraw/zinc/01/90/55/1029019055.db2.gz PJDSUEBFFLIJPJ-FUHWJXTLSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)n1c[nH+]c2c1CCCC2 ZINC000628371947 1029019940 /nfs/dbraw/zinc/01/99/40/1029019940.db2.gz PJDSUEBFFLIJPJ-SJLPKXTDSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1c[nH+]c2c1CCCC2 ZINC000628371947 1029019946 /nfs/dbraw/zinc/01/99/46/1029019946.db2.gz PJDSUEBFFLIJPJ-SJLPKXTDSA-N 2 2 309.457 3.845 20 0 DHADLP CC1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373489202 1029058575 /nfs/dbraw/zinc/05/85/75/1029058575.db2.gz JYBGUSQRDGPMOF-UHFFFAOYSA-N 2 2 318.427 3.960 20 0 DHADLP CC1(C)CC([NH2+]Cc2c(O)ccc(Cl)c2F)CC(C)(C)[NH2+]1 ZINC000190695590 1029117445 /nfs/dbraw/zinc/11/74/45/1029117445.db2.gz SXUMOHUCKXVHBM-UHFFFAOYSA-N 2 2 314.832 3.584 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c(Cl)c1 ZINC000568975021 1029153999 /nfs/dbraw/zinc/15/39/99/1029153999.db2.gz PZKPHFRKJUSRRF-ZDUSSCGKSA-N 2 2 307.825 3.676 20 0 DHADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000569035212 1029165416 /nfs/dbraw/zinc/16/54/16/1029165416.db2.gz QGVHVTMQGAFWMB-ROUUACIJSA-N 2 2 311.473 3.888 20 0 DHADLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)cc1 ZINC000374271994 1029266096 /nfs/dbraw/zinc/26/60/96/1029266096.db2.gz PQNPQBZALGPUNU-QGZVFWFLSA-N 2 2 313.445 3.852 20 0 DHADLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)cc1 ZINC000374271994 1029266108 /nfs/dbraw/zinc/26/61/08/1029266108.db2.gz PQNPQBZALGPUNU-QGZVFWFLSA-N 2 2 313.445 3.852 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817984064 1029322858 /nfs/dbraw/zinc/32/28/58/1029322858.db2.gz MKOHKQHDTQVWLG-WCQYABFASA-N 2 2 300.418 3.794 20 0 DHADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657331 1029410104 /nfs/dbraw/zinc/41/01/04/1029410104.db2.gz WRCYEXSQYKBGHZ-JSGCOSHPSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657331 1029410112 /nfs/dbraw/zinc/41/01/12/1029410112.db2.gz WRCYEXSQYKBGHZ-JSGCOSHPSA-N 2 2 320.786 3.608 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629660624 1029412400 /nfs/dbraw/zinc/41/24/00/1029412400.db2.gz WNQBFUFXWBYXTJ-YJBOKZPZSA-N 2 2 310.441 3.592 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000374814167 1029464800 /nfs/dbraw/zinc/46/48/00/1029464800.db2.gz LECPLBGBACUIJC-GOSISDBHSA-N 2 2 319.399 3.682 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000374814167 1029464808 /nfs/dbraw/zinc/46/48/08/1029464808.db2.gz LECPLBGBACUIJC-GOSISDBHSA-N 2 2 319.399 3.682 20 0 DHADLP Clc1cccc2c1C[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001170931878 1029592407 /nfs/dbraw/zinc/59/24/07/1029592407.db2.gz BKKHWRZNXRYGKQ-CABCVRRESA-N 2 2 315.848 3.734 20 0 DHADLP C[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820805519 1029767383 /nfs/dbraw/zinc/76/73/83/1029767383.db2.gz LIOVGFMBGNRDCE-GOSISDBHSA-N 2 2 318.848 3.901 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1Oc1cccnc1 ZINC000530176492 1029773243 /nfs/dbraw/zinc/77/32/43/1029773243.db2.gz BNPDWKRFSNEVHW-IBGZPJMESA-N 2 2 323.440 3.557 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CC[NH2+]C34CCC4)ccc2c1 ZINC000530216617 1029785396 /nfs/dbraw/zinc/78/53/96/1029785396.db2.gz CJUGUKHGLRPNGB-LIRRHRJNSA-N 2 2 310.441 3.784 20 0 DHADLP Fc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1Cl ZINC000451357732 1029855409 /nfs/dbraw/zinc/85/54/09/1029855409.db2.gz UFDPNCDJVRPPEM-INIZCTEOSA-N 2 2 307.800 3.807 20 0 DHADLP c1ccc(NC2CC[NH+](CCCCC3CCOCC3)CC2)[nH+]c1 ZINC000530568729 1029895294 /nfs/dbraw/zinc/89/52/94/1029895294.db2.gz HEHPZHKTVHABLK-UHFFFAOYSA-N 2 2 317.477 3.555 20 0 DHADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000530623027 1029932431 /nfs/dbraw/zinc/93/24/31/1029932431.db2.gz BVSWVZRZJMLSJT-HNNXBMFYSA-N 2 2 324.871 3.972 20 0 DHADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000530623027 1029932447 /nfs/dbraw/zinc/93/24/47/1029932447.db2.gz BVSWVZRZJMLSJT-HNNXBMFYSA-N 2 2 324.871 3.972 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290185704 1029937688 /nfs/dbraw/zinc/93/76/88/1029937688.db2.gz FRPMTRBQNVEWJM-NVXWUHKLSA-N 2 2 319.408 3.699 20 0 DHADLP Fc1cccc2c1CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000866229077 1030168231 /nfs/dbraw/zinc/16/82/31/1030168231.db2.gz MPJCFEONEIZFAP-GOSISDBHSA-N 2 2 313.420 3.568 20 0 DHADLP CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)c1ncccc1Cl ZINC000924755351 1030180257 /nfs/dbraw/zinc/18/02/57/1030180257.db2.gz WATBOCUVLLGASS-ZBFHGGJFSA-N 2 2 309.885 3.898 20 0 DHADLP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1ncccc1Cl ZINC000924755351 1030180264 /nfs/dbraw/zinc/18/02/64/1030180264.db2.gz WATBOCUVLLGASS-ZBFHGGJFSA-N 2 2 309.885 3.898 20 0 DHADLP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)ccc1-n1cc[nH+]c1 ZINC000924774453 1030185874 /nfs/dbraw/zinc/18/58/74/1030185874.db2.gz AEUKLBLLBYRWGN-GOOCMWNKSA-N 2 2 317.433 3.528 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC)n1 ZINC000924806190 1030193036 /nfs/dbraw/zinc/19/30/36/1030193036.db2.gz ACWNKLSXDYWJPQ-KRWDZBQOSA-N 2 2 322.412 3.517 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)c1ccccc1 ZINC000925177290 1030293863 /nfs/dbraw/zinc/29/38/63/1030293863.db2.gz BWHGEWVPNZQUQW-JCHJZTRSSA-N 2 2 307.441 3.648 20 0 DHADLP C[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(F)cc(F)c1 ZINC000823683951 1030363708 /nfs/dbraw/zinc/36/37/08/1030363708.db2.gz NAEOZFKXMQEROG-DYVFJYSZSA-N 2 2 321.415 3.969 20 0 DHADLP CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000358232384 1030393478 /nfs/dbraw/zinc/39/34/78/1030393478.db2.gz CDWBJONHOBVRQX-DKSSEZFCSA-N 2 2 313.445 3.727 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000925591949 1030414786 /nfs/dbraw/zinc/41/47/86/1030414786.db2.gz UNFBZQWMTJSQDI-XXCQWMQFSA-N 2 2 313.489 3.775 20 0 DHADLP CC(C)(C)c1csc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866708054 1030428584 /nfs/dbraw/zinc/42/85/84/1030428584.db2.gz PJZAZSALZNJRGU-KRWDZBQOSA-N 2 2 309.523 3.638 20 0 DHADLP CC(C)(C)c1csc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866708054 1030428588 /nfs/dbraw/zinc/42/85/88/1030428588.db2.gz PJZAZSALZNJRGU-KRWDZBQOSA-N 2 2 309.523 3.638 20 0 DHADLP COc1cc(Cl)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000533584407 1030444546 /nfs/dbraw/zinc/44/45/46/1030444546.db2.gz BCBNEBBELVHPQW-ZYHUDNBSSA-N 2 2 317.260 3.574 20 0 DHADLP COc1cc(Cl)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000533584407 1030444560 /nfs/dbraw/zinc/44/45/60/1030444560.db2.gz BCBNEBBELVHPQW-ZYHUDNBSSA-N 2 2 317.260 3.574 20 0 DHADLP COc1cccc([C@H]2C[C@H]([NH2+][C@H](c3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000925691984 1030456235 /nfs/dbraw/zinc/45/62/35/1030456235.db2.gz YMBNUGLXMIMRID-RNVRALISSA-N 2 2 310.441 3.619 20 0 DHADLP C[C@@H]1CC[C@@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925752429 1030480341 /nfs/dbraw/zinc/48/03/41/1030480341.db2.gz VDZGREYJIKNCQV-MLGOLLRUSA-N 2 2 313.470 3.599 20 0 DHADLP C[C@@H]1CC[C@@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925752429 1030480345 /nfs/dbraw/zinc/48/03/45/1030480345.db2.gz VDZGREYJIKNCQV-MLGOLLRUSA-N 2 2 313.470 3.599 20 0 DHADLP CCC1([NH3+])CC[NH+]([C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000925757754 1030484747 /nfs/dbraw/zinc/48/47/47/1030484747.db2.gz JGTXWQGIFVENKY-SFHVURJKSA-N 2 2 313.420 3.513 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(N)cc[nH+]1)[C@@H](C)c1nc2ccccc2s1 ZINC000925771955 1030488974 /nfs/dbraw/zinc/48/89/74/1030488974.db2.gz PJHSQKRPJLVJAI-VXGBXAGGSA-N 2 2 312.442 3.555 20 0 DHADLP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171055344 1030553299 /nfs/dbraw/zinc/55/32/99/1030553299.db2.gz FKCOJAIWGMYKAI-QGZVFWFLSA-N 2 2 318.892 3.756 20 0 DHADLP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171055344 1030553311 /nfs/dbraw/zinc/55/33/11/1030553311.db2.gz FKCOJAIWGMYKAI-QGZVFWFLSA-N 2 2 318.892 3.756 20 0 DHADLP COCc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000339080281 1030560243 /nfs/dbraw/zinc/56/02/43/1030560243.db2.gz DKRQLNLUTJIGMU-MRXNPFEDSA-N 2 2 321.424 3.870 20 0 DHADLP COCC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1ccc(C)o1 ZINC000926108614 1030616777 /nfs/dbraw/zinc/61/67/77/1030616777.db2.gz BJNBBLBFDXVNLU-SFHVURJKSA-N 2 2 322.493 3.766 20 0 DHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000358820975 1030638790 /nfs/dbraw/zinc/63/87/90/1030638790.db2.gz VAOXBELURMGJMH-HNNXBMFYSA-N 2 2 315.486 3.570 20 0 DHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000358820975 1030638797 /nfs/dbraw/zinc/63/87/97/1030638797.db2.gz VAOXBELURMGJMH-HNNXBMFYSA-N 2 2 315.486 3.570 20 0 DHADLP Cc1ccc(-c2cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)on2)cc1 ZINC000246951116 1030665725 /nfs/dbraw/zinc/66/57/25/1030665725.db2.gz RCICKZJPNUIYCE-RDJZCZTQSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)on2)cc1 ZINC000246951116 1030665735 /nfs/dbraw/zinc/66/57/35/1030665735.db2.gz RCICKZJPNUIYCE-RDJZCZTQSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)on2)cc1 ZINC000246951116 1030665745 /nfs/dbraw/zinc/66/57/45/1030665745.db2.gz RCICKZJPNUIYCE-RDJZCZTQSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)on2)cc1 ZINC000246951116 1030665753 /nfs/dbraw/zinc/66/57/53/1030665753.db2.gz RCICKZJPNUIYCE-RDJZCZTQSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc2c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4C)C3)c[nH]c2c1 ZINC001136976512 1030694435 /nfs/dbraw/zinc/69/44/35/1030694435.db2.gz DJCUOVOLQKILSG-KRWDZBQOSA-N 2 2 321.424 3.833 20 0 DHADLP Cc1ccc2c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4C)C3)c[nH]c2c1 ZINC001136976512 1030694440 /nfs/dbraw/zinc/69/44/40/1030694440.db2.gz DJCUOVOLQKILSG-KRWDZBQOSA-N 2 2 321.424 3.833 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc3c(cc(C)cc3C)[nH]1)CCC2 ZINC000359017973 1030732563 /nfs/dbraw/zinc/73/25/63/1030732563.db2.gz WPTFVJBCLZNTJF-INIZCTEOSA-N 2 2 322.456 3.957 20 0 DHADLP CCSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449773 1030745889 /nfs/dbraw/zinc/74/58/89/1030745889.db2.gz HWDOPMZIBSGACK-HIFRSBDPSA-N 2 2 315.486 3.600 20 0 DHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001143356638 1030845567 /nfs/dbraw/zinc/84/55/67/1030845567.db2.gz CDMRSLVTFJOVKO-UHFFFAOYSA-N 2 2 324.774 3.622 20 0 DHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001143356638 1030845586 /nfs/dbraw/zinc/84/55/86/1030845586.db2.gz CDMRSLVTFJOVKO-UHFFFAOYSA-N 2 2 324.774 3.622 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)ccc2C(F)(F)F)CC1 ZINC001143676222 1030896799 /nfs/dbraw/zinc/89/67/99/1030896799.db2.gz ISMHYBGBRLXUGW-UHFFFAOYSA-N 2 2 314.395 3.930 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2C(F)(F)F)CC1 ZINC001143676222 1030896818 /nfs/dbraw/zinc/89/68/18/1030896818.db2.gz ISMHYBGBRLXUGW-UHFFFAOYSA-N 2 2 314.395 3.930 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000926754755 1030904867 /nfs/dbraw/zinc/90/48/67/1030904867.db2.gz RWAGMMSQUMJZIP-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000926754755 1030904877 /nfs/dbraw/zinc/90/48/77/1030904877.db2.gz RWAGMMSQUMJZIP-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP C[NH+](C)CCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000359360672 1030927450 /nfs/dbraw/zinc/92/74/50/1030927450.db2.gz HMZIGPVBGFZGJL-CYBMUJFWSA-N 2 2 317.260 3.748 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2C)C1 ZINC001143769745 1030951456 /nfs/dbraw/zinc/95/14/56/1030951456.db2.gz SXQTXQOPGKRFIX-MRXNPFEDSA-N 2 2 318.367 3.630 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2C)C1 ZINC001143769745 1030951463 /nfs/dbraw/zinc/95/14/63/1030951463.db2.gz SXQTXQOPGKRFIX-MRXNPFEDSA-N 2 2 318.367 3.630 20 0 DHADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(F)cc(F)c2C)CC1 ZINC001143776035 1030964723 /nfs/dbraw/zinc/96/47/23/1030964723.db2.gz QPCMUGASLMWZRB-UHFFFAOYSA-N 2 2 310.432 3.970 20 0 DHADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(F)c2C)CC1 ZINC001143776035 1030964728 /nfs/dbraw/zinc/96/47/28/1030964728.db2.gz QPCMUGASLMWZRB-UHFFFAOYSA-N 2 2 310.432 3.970 20 0 DHADLP CC(C)O[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000292380462 1030970311 /nfs/dbraw/zinc/97/03/11/1030970311.db2.gz HLYDLPRPUWLPGR-GOSISDBHSA-N 2 2 313.445 3.755 20 0 DHADLP CC(C)c1ncc(C[N@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000359460075 1030975683 /nfs/dbraw/zinc/97/56/83/1030975683.db2.gz VAGLWHAEGCKFNJ-UHFFFAOYSA-N 2 2 303.475 3.618 20 0 DHADLP CC(C)c1ncc(C[N@@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000359460075 1030975695 /nfs/dbraw/zinc/97/56/95/1030975695.db2.gz VAGLWHAEGCKFNJ-UHFFFAOYSA-N 2 2 303.475 3.618 20 0 DHADLP CC(C)O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000292589048 1031085005 /nfs/dbraw/zinc/08/50/05/1031085005.db2.gz UYSOTYUEJLEGCU-SLFFLAALSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000292589048 1031085021 /nfs/dbraw/zinc/08/50/21/1031085021.db2.gz UYSOTYUEJLEGCU-SLFFLAALSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000292589048 1031085040 /nfs/dbraw/zinc/08/50/40/1031085040.db2.gz UYSOTYUEJLEGCU-SLFFLAALSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000292589048 1031085058 /nfs/dbraw/zinc/08/50/58/1031085058.db2.gz UYSOTYUEJLEGCU-SLFFLAALSA-N 2 2 316.489 3.569 20 0 DHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C)o1 ZINC000123334187 1031097437 /nfs/dbraw/zinc/09/74/37/1031097437.db2.gz SWIJZSDSJYBTLN-OAHLLOKOSA-N 2 2 313.445 3.607 20 0 DHADLP Clc1sccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000359979112 1031226369 /nfs/dbraw/zinc/22/63/69/1031226369.db2.gz ZWHFGPDBGMPOCA-UHFFFAOYSA-N 2 2 303.818 3.877 20 0 DHADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000872029347 1031414183 /nfs/dbraw/zinc/41/41/83/1031414183.db2.gz WJEKQFZAQPUOFL-FUHWJXTLSA-N 2 2 313.445 3.556 20 0 DHADLP CC[C@@H](CCC(F)(F)F)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000872035018 1031418514 /nfs/dbraw/zinc/41/85/14/1031418514.db2.gz JWWNACUGVRBGLQ-ZDUSSCGKSA-N 2 2 324.431 3.587 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(O)ccc1F ZINC000872040934 1031426536 /nfs/dbraw/zinc/42/65/36/1031426536.db2.gz OKLVCQZPYWRQTA-ZDUSSCGKSA-N 2 2 306.425 3.589 20 0 DHADLP CC1(C)C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2S1 ZINC000872074216 1031470321 /nfs/dbraw/zinc/47/03/21/1031470321.db2.gz ZDTSHPGAIWTBOM-BLLLJJGKSA-N 2 2 313.470 3.872 20 0 DHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C1CC1)C2 ZINC000537000558 1031487870 /nfs/dbraw/zinc/48/78/70/1031487870.db2.gz IZSJMMAJWKEZNB-ARFHVFGLSA-N 2 2 301.478 3.664 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925309422 1031531783 /nfs/dbraw/zinc/53/17/83/1031531783.db2.gz ZYAOULCDKVXNDC-INIZCTEOSA-N 2 2 321.896 3.965 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929747277 1031595928 /nfs/dbraw/zinc/59/59/28/1031595928.db2.gz CPDLQAAHRLGODO-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929747277 1031595939 /nfs/dbraw/zinc/59/59/39/1031595939.db2.gz CPDLQAAHRLGODO-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP Cc1nc(C[N@H+](C)CCCn2cc[nH+]c2C)sc1C(C)(C)C ZINC000930062023 1031687024 /nfs/dbraw/zinc/68/70/24/1031687024.db2.gz VJFCITFAOKZRFY-UHFFFAOYSA-N 2 2 320.506 3.776 20 0 DHADLP Cc1nc(C[N@@H+](C)CCCn2cc[nH+]c2C)sc1C(C)(C)C ZINC000930062023 1031687030 /nfs/dbraw/zinc/68/70/30/1031687030.db2.gz VJFCITFAOKZRFY-UHFFFAOYSA-N 2 2 320.506 3.776 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000873222578 1031764656 /nfs/dbraw/zinc/76/46/56/1031764656.db2.gz AHWWWLITJXTAIY-HHXXYDBFSA-N 2 2 310.441 3.839 20 0 DHADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361493552 1031953061 /nfs/dbraw/zinc/95/30/61/1031953061.db2.gz TUYGJIDAZCEVPN-QRWLVFNGSA-N 2 2 303.409 3.895 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)CC2 ZINC001172826695 1033389427 /nfs/dbraw/zinc/38/94/27/1033389427.db2.gz XJQJPPCTPXAVSF-JOCHJYFZSA-N 2 2 320.480 3.574 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1c(F)cccc1Cl ZINC001172836437 1033397690 /nfs/dbraw/zinc/39/76/90/1033397690.db2.gz DLIIDFFOKXENCN-ZDUSSCGKSA-N 2 2 300.849 3.732 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1c(F)cccc1Cl ZINC001172836437 1033397700 /nfs/dbraw/zinc/39/77/00/1033397700.db2.gz DLIIDFFOKXENCN-ZDUSSCGKSA-N 2 2 300.849 3.732 20 0 DHADLP c1cn(Cc2ccc(Nc3c[nH+]ccc3N3CCCC3)cc2)c[nH+]1 ZINC001212695053 1033491976 /nfs/dbraw/zinc/49/19/76/1033491976.db2.gz KXVHZPLCKFDNTR-UHFFFAOYSA-N 2 2 319.412 3.670 20 0 DHADLP C[NH+](C)CCc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001212698341 1033501873 /nfs/dbraw/zinc/50/18/73/1033501873.db2.gz NVWWCOBDXOUJDP-UHFFFAOYSA-N 2 2 320.440 3.779 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3ccc(Cl)cc3n2)CC[N@@H+]1C ZINC000878163820 1033604218 /nfs/dbraw/zinc/60/42/18/1033604218.db2.gz XAXNQAYVWRJZNT-GUYCJALGSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3ccc(Cl)cc3n2)CC[N@H+]1C ZINC000878163820 1033604221 /nfs/dbraw/zinc/60/42/21/1033604221.db2.gz XAXNQAYVWRJZNT-GUYCJALGSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3ccc(Cl)cc3n2)CC[NH+]1C ZINC000878163820 1033604224 /nfs/dbraw/zinc/60/42/24/1033604224.db2.gz XAXNQAYVWRJZNT-GUYCJALGSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccc(Cl)cc3n2)CC[NH+]1C ZINC000878163820 1033604230 /nfs/dbraw/zinc/60/42/30/1033604230.db2.gz XAXNQAYVWRJZNT-GUYCJALGSA-N 2 2 317.864 3.803 20 0 DHADLP CCc1ccc(C[C@H](C)[NH2+]CC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001173236471 1033606454 /nfs/dbraw/zinc/60/64/54/1033606454.db2.gz XUWOOTXXQIOEJT-SFHVURJKSA-N 2 2 322.496 3.902 20 0 DHADLP CCc1ccc(C[C@H](C)[N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001173247908 1033619257 /nfs/dbraw/zinc/61/92/57/1033619257.db2.gz DDHXKLOXXIQYLB-HRAATJIYSA-N 2 2 308.469 3.566 20 0 DHADLP CCc1ccc(C[C@H](C)[N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001173247908 1033619262 /nfs/dbraw/zinc/61/92/62/1033619262.db2.gz DDHXKLOXXIQYLB-HRAATJIYSA-N 2 2 308.469 3.566 20 0 DHADLP CCSC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001173300475 1033657300 /nfs/dbraw/zinc/65/73/00/1033657300.db2.gz VVIYDEZTFRTABG-CQSZACIVSA-N 2 2 324.509 3.830 20 0 DHADLP CCSC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001173313248 1033660104 /nfs/dbraw/zinc/66/01/04/1033660104.db2.gz AACGCBWOPJLJAH-OAHLLOKOSA-N 2 2 324.509 3.864 20 0 DHADLP CCSC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001173313248 1033660113 /nfs/dbraw/zinc/66/01/13/1033660113.db2.gz AACGCBWOPJLJAH-OAHLLOKOSA-N 2 2 324.509 3.864 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001173276884 1033668109 /nfs/dbraw/zinc/66/81/09/1033668109.db2.gz WGLTTYQWUHYZKR-YJBOKZPZSA-N 2 2 302.462 3.525 20 0 DHADLP C[C@@H]([NH2+]Cc1scnc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411722 1033694903 /nfs/dbraw/zinc/69/49/03/1033694903.db2.gz NNRCQAFOHATDMZ-VXGBXAGGSA-N 2 2 313.898 3.539 20 0 DHADLP C[C@@H]([NH2+]Cc1scnc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411722 1033694907 /nfs/dbraw/zinc/69/49/07/1033694907.db2.gz NNRCQAFOHATDMZ-VXGBXAGGSA-N 2 2 313.898 3.539 20 0 DHADLP C[C@H]([NH2+]Cc1scnc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411721 1033695280 /nfs/dbraw/zinc/69/52/80/1033695280.db2.gz NNRCQAFOHATDMZ-RYUDHWBXSA-N 2 2 313.898 3.539 20 0 DHADLP C[C@H]([NH2+]Cc1scnc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411721 1033695284 /nfs/dbraw/zinc/69/52/84/1033695284.db2.gz NNRCQAFOHATDMZ-RYUDHWBXSA-N 2 2 313.898 3.539 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000173907027 1033890867 /nfs/dbraw/zinc/89/08/67/1033890867.db2.gz GYSVLOSIIDCUBU-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000173907027 1033890887 /nfs/dbraw/zinc/89/08/87/1033890887.db2.gz GYSVLOSIIDCUBU-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000173907027 1033890898 /nfs/dbraw/zinc/89/08/98/1033890898.db2.gz GYSVLOSIIDCUBU-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000173907027 1033890908 /nfs/dbraw/zinc/89/09/08/1033890908.db2.gz GYSVLOSIIDCUBU-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP C[NH+](C)Cc1ccccc1Nc1cccc(Cn2cc[nH+]c2)c1 ZINC001173931916 1033995483 /nfs/dbraw/zinc/99/54/83/1033995483.db2.gz MHQGMKCRZGFUCJ-UHFFFAOYSA-N 2 2 306.413 3.737 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000480094598 1034058700 /nfs/dbraw/zinc/05/87/00/1034058700.db2.gz QEOIRTNKHVDFTG-UONOGXRCSA-N 2 2 312.404 3.731 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000480094598 1034058710 /nfs/dbraw/zinc/05/87/10/1034058710.db2.gz QEOIRTNKHVDFTG-UONOGXRCSA-N 2 2 312.404 3.731 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000176915093 1034120960 /nfs/dbraw/zinc/12/09/60/1034120960.db2.gz AOHMUHAPCJPVBQ-YLJYHZDGSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000176915093 1034120968 /nfs/dbraw/zinc/12/09/68/1034120968.db2.gz AOHMUHAPCJPVBQ-YLJYHZDGSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000176915093 1034120974 /nfs/dbraw/zinc/12/09/74/1034120974.db2.gz AOHMUHAPCJPVBQ-YLJYHZDGSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000176915093 1034120980 /nfs/dbraw/zinc/12/09/80/1034120980.db2.gz AOHMUHAPCJPVBQ-YLJYHZDGSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(SC(F)F)cc1 ZINC000863542614 1034124500 /nfs/dbraw/zinc/12/45/00/1034124500.db2.gz QZHDJFVCWOYBMQ-SMDDNHRTSA-N 2 2 312.429 3.937 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(Cl)c2cccnc12)Cn1cc[nH+]c1 ZINC000177750024 1034180312 /nfs/dbraw/zinc/18/03/12/1034180312.db2.gz PUWIREHLETYGOP-CYBMUJFWSA-N 2 2 314.820 3.511 20 0 DHADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc21 ZINC000667671108 1034242142 /nfs/dbraw/zinc/24/21/42/1034242142.db2.gz ICUCBPCEROOKPJ-QGZVFWFLSA-N 2 2 311.473 3.784 20 0 DHADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc21 ZINC000667671108 1034242155 /nfs/dbraw/zinc/24/21/55/1034242155.db2.gz ICUCBPCEROOKPJ-QGZVFWFLSA-N 2 2 311.473 3.784 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2c(c1)CCO2 ZINC000178551695 1034246675 /nfs/dbraw/zinc/24/66/75/1034246675.db2.gz HANTTYYPUOVEMY-OAHLLOKOSA-N 2 2 311.429 3.559 20 0 DHADLP COc1cccc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2(C)C)c1 ZINC000880284453 1034277664 /nfs/dbraw/zinc/27/76/64/1034277664.db2.gz FZYBEKBNTZZOCZ-GOSISDBHSA-N 2 2 313.445 3.550 20 0 DHADLP COc1cccc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2(C)C)c1 ZINC000880284453 1034277679 /nfs/dbraw/zinc/27/76/79/1034277679.db2.gz FZYBEKBNTZZOCZ-GOSISDBHSA-N 2 2 313.445 3.550 20 0 DHADLP FC(F)(F)c1ccccc1[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000179392503 1034306050 /nfs/dbraw/zinc/30/60/50/1034306050.db2.gz OMZAJSLBMLYRAB-ZBFHGGJFSA-N 2 2 323.362 3.828 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000480561578 1034317342 /nfs/dbraw/zinc/31/73/42/1034317342.db2.gz GMVOHWFVCICUCB-DVOMOZLQSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000480561578 1034317357 /nfs/dbraw/zinc/31/73/57/1034317357.db2.gz GMVOHWFVCICUCB-DVOMOZLQSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000480561578 1034317367 /nfs/dbraw/zinc/31/73/67/1034317367.db2.gz GMVOHWFVCICUCB-DVOMOZLQSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000480561578 1034317373 /nfs/dbraw/zinc/31/73/73/1034317373.db2.gz GMVOHWFVCICUCB-DVOMOZLQSA-N 2 2 310.844 3.956 20 0 DHADLP c1cn(CCC[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c[nH+]1 ZINC000183189499 1034359559 /nfs/dbraw/zinc/35/95/59/1034359559.db2.gz CIWQWFKKCXBUIW-LJQANCHMSA-N 2 2 308.429 3.982 20 0 DHADLP c1cn(CCC[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c[nH+]1 ZINC000183189499 1034359569 /nfs/dbraw/zinc/35/95/69/1034359569.db2.gz CIWQWFKKCXBUIW-LJQANCHMSA-N 2 2 308.429 3.982 20 0 DHADLP c1cn(C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)c2ccccc2)c[nH+]1 ZINC000880571006 1034364051 /nfs/dbraw/zinc/36/40/51/1034364051.db2.gz MFDBWLWOLTVAGY-OAQYLSRUSA-N 2 2 317.436 3.903 20 0 DHADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000480757345 1034437184 /nfs/dbraw/zinc/43/71/84/1034437184.db2.gz BJBKBLUCWJAJFB-LBPRGKRZSA-N 2 2 319.276 3.612 20 0 DHADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000480757345 1034437183 /nfs/dbraw/zinc/43/71/83/1034437183.db2.gz BJBKBLUCWJAJFB-LBPRGKRZSA-N 2 2 319.276 3.612 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000555093576 1034496926 /nfs/dbraw/zinc/49/69/26/1034496926.db2.gz WDNSLHSPHWXKCR-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000555093576 1034496932 /nfs/dbraw/zinc/49/69/32/1034496932.db2.gz WDNSLHSPHWXKCR-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1cccnc1 ZINC000185083552 1034527908 /nfs/dbraw/zinc/52/79/08/1034527908.db2.gz NNXSFVJCDQLHJW-SFHVURJKSA-N 2 2 321.428 3.602 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000481117088 1034590884 /nfs/dbraw/zinc/59/08/84/1034590884.db2.gz NUAQQEDQKNCDMS-ZBFHGGJFSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000481117088 1034590889 /nfs/dbraw/zinc/59/08/89/1034590889.db2.gz NUAQQEDQKNCDMS-ZBFHGGJFSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000481117088 1034590903 /nfs/dbraw/zinc/59/09/03/1034590903.db2.gz NUAQQEDQKNCDMS-ZBFHGGJFSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000481117088 1034590910 /nfs/dbraw/zinc/59/09/10/1034590910.db2.gz NUAQQEDQKNCDMS-ZBFHGGJFSA-N 2 2 313.445 3.553 20 0 DHADLP CC(C)c1cccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001174814982 1034616734 /nfs/dbraw/zinc/61/67/34/1034616734.db2.gz HLDMOMACHWXBIX-UHFFFAOYSA-N 2 2 310.445 3.700 20 0 DHADLP C[C@H](CCC1CC1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000186428242 1034629276 /nfs/dbraw/zinc/62/92/76/1034629276.db2.gz XNFRQUJCRNSMBZ-HZPDHXFCSA-N 2 2 301.478 3.775 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000555364300 1034655769 /nfs/dbraw/zinc/65/57/69/1034655769.db2.gz GNULGKJCGOYDCU-PKOBYXMFSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000555364300 1034655770 /nfs/dbraw/zinc/65/57/70/1034655770.db2.gz GNULGKJCGOYDCU-PKOBYXMFSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000555364300 1034655772 /nfs/dbraw/zinc/65/57/72/1034655772.db2.gz GNULGKJCGOYDCU-PKOBYXMFSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000555364300 1034655773 /nfs/dbraw/zinc/65/57/73/1034655773.db2.gz GNULGKJCGOYDCU-PKOBYXMFSA-N 2 2 315.505 3.730 20 0 DHADLP Fc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000555415077 1034687173 /nfs/dbraw/zinc/68/71/73/1034687173.db2.gz BJCLHADAJTZAPO-CXAGYDPISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000555415077 1034687179 /nfs/dbraw/zinc/68/71/79/1034687179.db2.gz BJCLHADAJTZAPO-CXAGYDPISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Cl ZINC000555415077 1034687186 /nfs/dbraw/zinc/68/71/86/1034687186.db2.gz BJCLHADAJTZAPO-CXAGYDPISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000555415077 1034687193 /nfs/dbraw/zinc/68/71/93/1034687193.db2.gz BJCLHADAJTZAPO-CXAGYDPISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000555415080 1034687297 /nfs/dbraw/zinc/68/72/97/1034687297.db2.gz BJCLHADAJTZAPO-SUMWQHHRSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000555415080 1034687304 /nfs/dbraw/zinc/68/73/04/1034687304.db2.gz BJCLHADAJTZAPO-SUMWQHHRSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Cl ZINC000555415080 1034687311 /nfs/dbraw/zinc/68/73/11/1034687311.db2.gz BJCLHADAJTZAPO-SUMWQHHRSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000555415080 1034687322 /nfs/dbraw/zinc/68/73/22/1034687322.db2.gz BJCLHADAJTZAPO-SUMWQHHRSA-N 2 2 322.855 3.928 20 0 DHADLP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000481434134 1034833604 /nfs/dbraw/zinc/83/36/04/1034833604.db2.gz KFHOLDNHDMVEAZ-HNNXBMFYSA-N 2 2 302.462 3.753 20 0 DHADLP CN(C)c1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)c[nH+]1 ZINC001175341129 1034942408 /nfs/dbraw/zinc/94/24/08/1034942408.db2.gz CJQUWZRQGHBCRQ-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP CN(C)c1ccc[nH+]c1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175362629 1034953444 /nfs/dbraw/zinc/95/34/44/1034953444.db2.gz SZUCPTPDFZZRGY-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000481830363 1035002448 /nfs/dbraw/zinc/00/24/48/1035002448.db2.gz IKMOLWNFFLXTBD-PDKWGQGHSA-N 2 2 310.844 3.597 20 0 DHADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000481830363 1035002456 /nfs/dbraw/zinc/00/24/56/1035002456.db2.gz IKMOLWNFFLXTBD-PDKWGQGHSA-N 2 2 310.844 3.597 20 0 DHADLP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC[N@H+](C)C(C)C)cc1F ZINC000482090821 1035056311 /nfs/dbraw/zinc/05/63/11/1035056311.db2.gz BGSUVNNQCNHSAZ-AEFFLSMTSA-N 2 2 322.468 3.790 20 0 DHADLP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC[N@@H+](C)C(C)C)cc1F ZINC000482090821 1035056319 /nfs/dbraw/zinc/05/63/19/1035056319.db2.gz BGSUVNNQCNHSAZ-AEFFLSMTSA-N 2 2 322.468 3.790 20 0 DHADLP CCCc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000482148518 1035060178 /nfs/dbraw/zinc/06/01/78/1035060178.db2.gz SQZIGJGFWBFFBU-IBGZPJMESA-N 2 2 311.473 3.827 20 0 DHADLP CCCc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000482148518 1035060183 /nfs/dbraw/zinc/06/01/83/1035060183.db2.gz SQZIGJGFWBFFBU-IBGZPJMESA-N 2 2 311.473 3.827 20 0 DHADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000567889899 1035062868 /nfs/dbraw/zinc/06/28/68/1035062868.db2.gz IUGJAOYBEMZMNU-WBVHZDCISA-N 2 2 313.445 3.742 20 0 DHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000482242853 1035072402 /nfs/dbraw/zinc/07/24/02/1035072402.db2.gz KPTPYCCOPVDBTC-FUHWJXTLSA-N 2 2 312.457 3.601 20 0 DHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000482242853 1035072409 /nfs/dbraw/zinc/07/24/09/1035072409.db2.gz KPTPYCCOPVDBTC-FUHWJXTLSA-N 2 2 312.457 3.601 20 0 DHADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCSc1ccccc1Cl ZINC001175883022 1035138040 /nfs/dbraw/zinc/13/80/40/1035138040.db2.gz OHBCYHSHWIDYIG-HZPDHXFCSA-N 2 2 324.921 3.991 20 0 DHADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCSc1ccccc1Cl ZINC001175883022 1035138044 /nfs/dbraw/zinc/13/80/44/1035138044.db2.gz OHBCYHSHWIDYIG-HZPDHXFCSA-N 2 2 324.921 3.991 20 0 DHADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCSc1ccccc1Cl ZINC001175883022 1035138047 /nfs/dbraw/zinc/13/80/47/1035138047.db2.gz OHBCYHSHWIDYIG-HZPDHXFCSA-N 2 2 324.921 3.991 20 0 DHADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCSc1ccccc1Cl ZINC001175883022 1035138051 /nfs/dbraw/zinc/13/80/51/1035138051.db2.gz OHBCYHSHWIDYIG-HZPDHXFCSA-N 2 2 324.921 3.991 20 0 DHADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001175965731 1035168566 /nfs/dbraw/zinc/16/85/66/1035168566.db2.gz QDZJKFKWPKNKNO-UHFFFAOYSA-N 2 2 304.453 3.997 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176274259 1035232697 /nfs/dbraw/zinc/23/26/97/1035232697.db2.gz SPELNHLPRJHRDM-ZIAGYGMSSA-N 2 2 317.383 3.632 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176274259 1035232704 /nfs/dbraw/zinc/23/27/04/1035232704.db2.gz SPELNHLPRJHRDM-ZIAGYGMSSA-N 2 2 317.383 3.632 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903016881 1035276061 /nfs/dbraw/zinc/27/60/61/1035276061.db2.gz NGBHINBEYUFVHJ-HOTGVXAUSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)CCc2ccc(Cl)cc21 ZINC000668284266 1035308070 /nfs/dbraw/zinc/30/80/70/1035308070.db2.gz HYHYOMHUALFLTP-CYBMUJFWSA-N 2 2 315.848 3.645 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)CCc2ccc(Cl)cc21 ZINC000668284266 1035308072 /nfs/dbraw/zinc/30/80/72/1035308072.db2.gz HYHYOMHUALFLTP-CYBMUJFWSA-N 2 2 315.848 3.645 20 0 DHADLP CO[C@H](C)[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000484139646 1035320106 /nfs/dbraw/zinc/32/01/06/1035320106.db2.gz UDGLHZWWQWIXJQ-YESZJQIVSA-N 2 2 304.478 3.663 20 0 DHADLP CC(C)(C)OCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176984894 1035341855 /nfs/dbraw/zinc/34/18/55/1035341855.db2.gz NRYLSKGGQUZJOU-HNNXBMFYSA-N 2 2 307.482 3.633 20 0 DHADLP CC(C)(C)OCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176984894 1035341860 /nfs/dbraw/zinc/34/18/60/1035341860.db2.gz NRYLSKGGQUZJOU-HNNXBMFYSA-N 2 2 307.482 3.633 20 0 DHADLP CCc1cccc(F)c1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC001177136634 1035352735 /nfs/dbraw/zinc/35/27/35/1035352735.db2.gz UXKFCTLPCLYKEQ-UHFFFAOYSA-N 2 2 314.448 4.000 20 0 DHADLP CCc1cccc(F)c1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC001177136634 1035352740 /nfs/dbraw/zinc/35/27/40/1035352740.db2.gz UXKFCTLPCLYKEQ-UHFFFAOYSA-N 2 2 314.448 4.000 20 0 DHADLP C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177268354 1035361696 /nfs/dbraw/zinc/36/16/96/1035361696.db2.gz XAOVVVHNYQQMPT-WMLDXEAASA-N 2 2 319.474 3.619 20 0 DHADLP Fc1ccccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203357345 1035444127 /nfs/dbraw/zinc/44/41/27/1035444127.db2.gz LQJYFSHDZRLHIW-QUCCMNQESA-N 2 2 324.443 3.780 20 0 DHADLP Fc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203357345 1035444129 /nfs/dbraw/zinc/44/41/29/1035444129.db2.gz LQJYFSHDZRLHIW-QUCCMNQESA-N 2 2 324.443 3.780 20 0 DHADLP Fc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203357345 1035444131 /nfs/dbraw/zinc/44/41/31/1035444131.db2.gz LQJYFSHDZRLHIW-QUCCMNQESA-N 2 2 324.443 3.780 20 0 DHADLP Fc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203357345 1035444134 /nfs/dbraw/zinc/44/41/34/1035444134.db2.gz LQJYFSHDZRLHIW-QUCCMNQESA-N 2 2 324.443 3.780 20 0 DHADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001179173058 1035469032 /nfs/dbraw/zinc/46/90/32/1035469032.db2.gz HKWCAGNVJXEBLW-SJLPKXTDSA-N 2 2 314.473 3.549 20 0 DHADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001179173058 1035469035 /nfs/dbraw/zinc/46/90/35/1035469035.db2.gz HKWCAGNVJXEBLW-SJLPKXTDSA-N 2 2 314.473 3.549 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001180786233 1035757554 /nfs/dbraw/zinc/75/75/54/1035757554.db2.gz CSRHWVKMEGJHNJ-KZNAEPCWSA-N 2 2 303.494 3.891 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001180786233 1035757565 /nfs/dbraw/zinc/75/75/65/1035757565.db2.gz CSRHWVKMEGJHNJ-KZNAEPCWSA-N 2 2 303.494 3.891 20 0 DHADLP CC[NH+](CC)CCC[N@H+](CC)Cc1c(C)nn(C(C)C)c1C ZINC001181497618 1035927659 /nfs/dbraw/zinc/92/76/59/1035927659.db2.gz JVLXSMZFEQNKLL-UHFFFAOYSA-N 2 2 308.514 3.635 20 0 DHADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1c(C)nn(C(C)C)c1C ZINC001181497618 1035927665 /nfs/dbraw/zinc/92/76/65/1035927665.db2.gz JVLXSMZFEQNKLL-UHFFFAOYSA-N 2 2 308.514 3.635 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906598783 1036028778 /nfs/dbraw/zinc/02/87/78/1036028778.db2.gz ZSUZWCVADGDZLW-ROUUACIJSA-N 2 2 302.437 3.632 20 0 DHADLP C[C@H]1C[C@H](C)C[NH+](CC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC001195054218 1036116953 /nfs/dbraw/zinc/11/69/53/1036116953.db2.gz BHBJAXHRMASONQ-LUKYLMHMSA-N 2 2 310.526 3.536 20 0 DHADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000540757361 1036148574 /nfs/dbraw/zinc/14/85/74/1036148574.db2.gz QCVCJUVJUKXWPR-VQIMIIECSA-N 2 2 324.472 3.703 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC001182874212 1036470407 /nfs/dbraw/zinc/47/04/07/1036470407.db2.gz PXLCLMNBQRYBRG-GJZGRUSLSA-N 2 2 302.453 3.910 20 0 DHADLP C(=C\c1ccncc1)\C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000486969638 1036479934 /nfs/dbraw/zinc/47/99/34/1036479934.db2.gz PYJPJTUJXDBFSO-AVKJRPAMSA-N 2 2 321.468 3.739 20 0 DHADLP C(=C\c1ccncc1)\C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000486969638 1036479937 /nfs/dbraw/zinc/47/99/37/1036479937.db2.gz PYJPJTUJXDBFSO-AVKJRPAMSA-N 2 2 321.468 3.739 20 0 DHADLP C[NH+]1C[C@]2(C)C[NH+](C/C=C\c3ccc(Cl)cc3)C[C@@]2(C)C1 ZINC001196632135 1036583637 /nfs/dbraw/zinc/58/36/37/1036583637.db2.gz MPWVMCRSVOMYFO-IFOCYFHOSA-N 2 2 304.865 3.627 20 0 DHADLP Clc1ccsc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000487276776 1036633394 /nfs/dbraw/zinc/63/33/94/1036633394.db2.gz JTXAEHFVYXFABF-UHFFFAOYSA-N 2 2 303.818 3.877 20 0 DHADLP Cc1cc(C)c(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c(C)n1 ZINC001197582802 1036813892 /nfs/dbraw/zinc/81/38/92/1036813892.db2.gz YTIZLQWKUYRAKZ-UHFFFAOYSA-N 2 2 315.505 3.847 20 0 DHADLP CC[C@H](C)[C@@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001184375639 1036825763 /nfs/dbraw/zinc/82/57/63/1036825763.db2.gz VVKJSSGADDXZTO-XYJFISCASA-N 2 2 321.509 3.879 20 0 DHADLP CC[C@H](C)[C@@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001184375639 1036825778 /nfs/dbraw/zinc/82/57/78/1036825778.db2.gz VVKJSSGADDXZTO-XYJFISCASA-N 2 2 321.509 3.879 20 0 DHADLP Fc1cc2[nH+]ccc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2cc1Cl ZINC000570015874 1036872815 /nfs/dbraw/zinc/87/28/15/1036872815.db2.gz UCXTWUDWLCTHSX-LLVKDONJSA-N 2 2 319.811 3.924 20 0 DHADLP Fc1cc2[nH+]ccc(NC[C@H]3CC[N@H+](C4CC4)C3)c2cc1Cl ZINC000570015874 1036872842 /nfs/dbraw/zinc/87/28/42/1036872842.db2.gz UCXTWUDWLCTHSX-LLVKDONJSA-N 2 2 319.811 3.924 20 0 DHADLP CCc1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc(CC)[nH+]1 ZINC001184598425 1036904313 /nfs/dbraw/zinc/90/43/13/1036904313.db2.gz DWKGODGVBAMESW-GOSISDBHSA-N 2 2 324.472 3.850 20 0 DHADLP c1ccc([C@H](C[NH2+]C2Cc3ccccc3C2)[NH+]2CCCC2)cc1 ZINC000236661744 1036971440 /nfs/dbraw/zinc/97/14/40/1036971440.db2.gz NVSDHOUJBJCUCX-NRFANRHFSA-N 2 2 306.453 3.581 20 0 DHADLP Fc1ccc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)[nH]c2c1 ZINC000488347369 1036976461 /nfs/dbraw/zinc/97/64/61/1036976461.db2.gz MOVZBDBMNFZDGN-SFHVURJKSA-N 2 2 315.436 3.757 20 0 DHADLP Fc1ccc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)[nH]c2c1 ZINC000488347369 1036976483 /nfs/dbraw/zinc/97/64/83/1036976483.db2.gz MOVZBDBMNFZDGN-SFHVURJKSA-N 2 2 315.436 3.757 20 0 DHADLP COc1cccc2c(N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000570212223 1037098785 /nfs/dbraw/zinc/09/87/85/1037098785.db2.gz CQNJZSQKCHMWPG-UONOGXRCSA-N 2 2 311.429 3.589 20 0 DHADLP COc1cccc2c(N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000570212223 1037098795 /nfs/dbraw/zinc/09/87/95/1037098795.db2.gz CQNJZSQKCHMWPG-UONOGXRCSA-N 2 2 311.429 3.589 20 0 DHADLP CCC[C@@H](C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001198901000 1037156718 /nfs/dbraw/zinc/15/67/18/1037156718.db2.gz NGOUCPGPCGCMQL-VQTJNVASSA-N 2 2 318.505 3.517 20 0 DHADLP CCC[C@@H](C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001198901000 1037156729 /nfs/dbraw/zinc/15/67/29/1037156729.db2.gz NGOUCPGPCGCMQL-VQTJNVASSA-N 2 2 318.505 3.517 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CC(C(F)F)C1)C1CC1 ZINC000776013410 1037298116 /nfs/dbraw/zinc/29/81/16/1037298116.db2.gz GEHLXADVKVQVNC-OFLPRAFFSA-N 2 2 308.416 3.530 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CC(C(F)F)C1)C1CC1 ZINC000776013410 1037298127 /nfs/dbraw/zinc/29/81/27/1037298127.db2.gz GEHLXADVKVQVNC-OFLPRAFFSA-N 2 2 308.416 3.530 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000311729899 1037310064 /nfs/dbraw/zinc/31/00/64/1037310064.db2.gz OFNYHQKDVKYLMD-GOEBONIOSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000311729899 1037310077 /nfs/dbraw/zinc/31/00/77/1037310077.db2.gz OFNYHQKDVKYLMD-GOEBONIOSA-N 2 2 323.278 3.510 20 0 DHADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@]2([NH+](C)C)CCSC2)c(C)c1 ZINC001200871977 1037454234 /nfs/dbraw/zinc/45/42/34/1037454234.db2.gz HAMRKWAUMFAKRH-GHOSXJJBSA-N 2 2 318.530 3.652 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000776124135 1037466022 /nfs/dbraw/zinc/46/60/22/1037466022.db2.gz YZEXYQAEGXZFJS-XHDPSFHLSA-N 2 2 313.272 3.751 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C[N@H+]1C1CC1 ZINC000776124135 1037466034 /nfs/dbraw/zinc/46/60/34/1037466034.db2.gz YZEXYQAEGXZFJS-XHDPSFHLSA-N 2 2 313.272 3.751 20 0 DHADLP CCSc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929803869 1037472425 /nfs/dbraw/zinc/47/24/25/1037472425.db2.gz PHQRPDHOORPTDZ-UHFFFAOYSA-N 2 2 301.459 3.901 20 0 DHADLP CCOc1ccc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001200942057 1037483008 /nfs/dbraw/zinc/48/30/08/1037483008.db2.gz MRNWMEMSUWFSMH-MRXNPFEDSA-N 2 2 316.445 3.679 20 0 DHADLP CCOc1ccc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001200942057 1037483019 /nfs/dbraw/zinc/48/30/19/1037483019.db2.gz MRNWMEMSUWFSMH-MRXNPFEDSA-N 2 2 316.445 3.679 20 0 DHADLP C[C@@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C(C)(C)C ZINC000670267647 1037496091 /nfs/dbraw/zinc/49/60/91/1037496091.db2.gz NWOHLFAEVZIRMI-HNNXBMFYSA-N 2 2 318.509 3.706 20 0 DHADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](CC4CCCCC4)CC[C@H]32)n1 ZINC001201393771 1037627333 /nfs/dbraw/zinc/62/73/33/1037627333.db2.gz NKKHXJWIKQBQSG-DLBZAZTESA-N 2 2 319.518 3.620 20 0 DHADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCCCC4)CC[C@H]32)n1 ZINC001201393771 1037627335 /nfs/dbraw/zinc/62/73/35/1037627335.db2.gz NKKHXJWIKQBQSG-DLBZAZTESA-N 2 2 319.518 3.620 20 0 DHADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](CC4CCCCC4)CC[C@H]32)n1 ZINC001201393771 1037627342 /nfs/dbraw/zinc/62/73/42/1037627342.db2.gz NKKHXJWIKQBQSG-DLBZAZTESA-N 2 2 319.518 3.620 20 0 DHADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCCCC4)CC[C@H]32)n1 ZINC001201393771 1037627346 /nfs/dbraw/zinc/62/73/46/1037627346.db2.gz NKKHXJWIKQBQSG-DLBZAZTESA-N 2 2 319.518 3.620 20 0 DHADLP Cc1nc2ccc(C[NH2+]CCCNc3cccc[nH+]3)cc2s1 ZINC000494183172 1037663764 /nfs/dbraw/zinc/66/37/64/1037663764.db2.gz PUGQNVJYOCSOJM-UHFFFAOYSA-N 2 2 312.442 3.592 20 0 DHADLP Cc1c[nH+]c(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(N)c1 ZINC001201469976 1037689179 /nfs/dbraw/zinc/68/91/79/1037689179.db2.gz GZDGOPRCVIGYMN-MSOLQXFVSA-N 2 2 320.440 3.705 20 0 DHADLP Cc1c[nH+]c(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(N)c1 ZINC001201469976 1037689196 /nfs/dbraw/zinc/68/91/96/1037689196.db2.gz GZDGOPRCVIGYMN-MSOLQXFVSA-N 2 2 320.440 3.705 20 0 DHADLP CC[N@@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001201589953 1037792621 /nfs/dbraw/zinc/79/26/21/1037792621.db2.gz BLDYIYVLFCBXSJ-UHFFFAOYSA-N 2 2 306.453 3.804 20 0 DHADLP CC[N@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001201589953 1037792640 /nfs/dbraw/zinc/79/26/40/1037792640.db2.gz BLDYIYVLFCBXSJ-UHFFFAOYSA-N 2 2 306.453 3.804 20 0 DHADLP C[C@@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)C1CCSCC1 ZINC000186961446 1037939559 /nfs/dbraw/zinc/93/95/59/1037939559.db2.gz GNJFPBQKDXUNAH-VQIMIIECSA-N 2 2 318.530 3.945 20 0 DHADLP Fc1cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(Cl)cc1Cl ZINC001236010283 1037972765 /nfs/dbraw/zinc/97/27/65/1037972765.db2.gz VQWAGGYCESGTEX-UHFFFAOYSA-N 2 2 317.235 3.708 20 0 DHADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCCO2 ZINC000126454055 1038067665 /nfs/dbraw/zinc/06/76/65/1038067665.db2.gz VDZRLSGEOAKMTG-MRXNPFEDSA-N 2 2 319.836 3.739 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1csc(-c2ccccc2)n1 ZINC000571177725 1038084759 /nfs/dbraw/zinc/08/47/59/1038084759.db2.gz OPCKPKXQRBVYLF-GXTWGEPZSA-N 2 2 324.453 3.741 20 0 DHADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494411854 1038088774 /nfs/dbraw/zinc/08/87/74/1038088774.db2.gz OZKWJIMWYSLHLG-ISBHARSQSA-N 2 2 301.821 3.544 20 0 DHADLP CC[C@H](C[NH2+][C@@H]1CCCc2c(OC)cccc21)[NH+]1CCCC1 ZINC000571965450 1038284578 /nfs/dbraw/zinc/28/45/78/1038284578.db2.gz PXKRIPWFTWGCCT-CRAIPNDOSA-N 2 2 302.462 3.537 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393194 1038931794 /nfs/dbraw/zinc/93/17/94/1038931794.db2.gz UNSXVEQEYPBFSR-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393194 1038931804 /nfs/dbraw/zinc/93/18/04/1038931804.db2.gz UNSXVEQEYPBFSR-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393194 1038931816 /nfs/dbraw/zinc/93/18/16/1038931816.db2.gz UNSXVEQEYPBFSR-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393194 1038931822 /nfs/dbraw/zinc/93/18/22/1038931822.db2.gz UNSXVEQEYPBFSR-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725570 1039065355 /nfs/dbraw/zinc/06/53/55/1039065355.db2.gz CYSUHSDKDZWTLZ-OCCSQVGLSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725570 1039065371 /nfs/dbraw/zinc/06/53/71/1039065371.db2.gz CYSUHSDKDZWTLZ-OCCSQVGLSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725570 1039065390 /nfs/dbraw/zinc/06/53/90/1039065390.db2.gz CYSUHSDKDZWTLZ-OCCSQVGLSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725570 1039065406 /nfs/dbraw/zinc/06/54/06/1039065406.db2.gz CYSUHSDKDZWTLZ-OCCSQVGLSA-N 2 2 321.515 3.644 20 0 DHADLP Cc1ccccc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608070060 1040363516 /nfs/dbraw/zinc/36/35/16/1040363516.db2.gz FXIKIDCENOAYLZ-IBGZPJMESA-N 2 2 305.425 3.802 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccccc1F)c1ccccc1 ZINC000608073617 1040364765 /nfs/dbraw/zinc/36/47/65/1040364765.db2.gz PBKNJZRDRDCGMG-GOSISDBHSA-N 2 2 309.388 3.633 20 0 DHADLP FC(F)(F)CCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534128880 1040724137 /nfs/dbraw/zinc/72/41/37/1040724137.db2.gz SSSGWNCMSRANQV-UHFFFAOYSA-N 2 2 301.356 3.691 20 0 DHADLP Cn1c(CCC[NH2+]Cc2cccc(F)c2F)[nH+]c2ccccc21 ZINC000076901252 185053051 /nfs/dbraw/zinc/05/30/51/185053051.db2.gz ZTHSSVJRTQHCLK-UHFFFAOYSA-N 2 2 315.367 3.574 20 0 DHADLP Clc1ccc(Oc2ccccc2C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000090487822 185298923 /nfs/dbraw/zinc/29/89/23/185298923.db2.gz ZOFMUBRNVSIXOL-INIZCTEOSA-N 2 2 316.832 3.974 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C/C=C/Cl)CC1 ZINC000093301280 193226119 /nfs/dbraw/zinc/22/61/19/193226119.db2.gz AWNHSQSCICXYQN-BJMVGYQFSA-N 2 2 303.837 3.988 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCCCOC)CC1 ZINC000093300403 193226389 /nfs/dbraw/zinc/22/63/89/193226389.db2.gz FUJAEXALJUHEJF-UHFFFAOYSA-N 2 2 315.461 3.662 20 0 DHADLP Clc1cc2c(cc1Cl)C[C@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000019367210 182119739 /nfs/dbraw/zinc/11/97/39/182119739.db2.gz RDBFPNFDFWHEGO-CQSZACIVSA-N 2 2 313.272 3.536 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)cn1 ZINC000274960186 130277145 /nfs/dbraw/zinc/27/71/45/130277145.db2.gz WOMLGTFRGRZMQZ-CYBMUJFWSA-N 2 2 304.825 3.673 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)[nH]1 ZINC000275792295 130386035 /nfs/dbraw/zinc/38/60/35/130386035.db2.gz YWDXSJCUOLOBIU-KRWDZBQOSA-N 2 2 313.445 3.838 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCCCOc3ccccc3)C2)[nH]1 ZINC000275792295 130386037 /nfs/dbraw/zinc/38/60/37/130386037.db2.gz YWDXSJCUOLOBIU-KRWDZBQOSA-N 2 2 313.445 3.838 20 0 DHADLP CSCc1ccc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)cc1 ZINC000285609301 131186225 /nfs/dbraw/zinc/18/62/25/131186225.db2.gz XHRBHPVTNGXUOH-UHFFFAOYSA-N 2 2 311.454 3.796 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000286181078 131223779 /nfs/dbraw/zinc/22/37/79/131223779.db2.gz QUWODDUCWHMSMN-MRXNPFEDSA-N 2 2 301.478 3.838 20 0 DHADLP Cc1[nH]c2ccccc2c1CC[NH2+]CCCc1c[nH+]ccc1C ZINC000289273285 131370315 /nfs/dbraw/zinc/37/03/15/131370315.db2.gz NULDPLIUPGIKSB-UHFFFAOYSA-N 2 2 307.441 3.945 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289336150 131374998 /nfs/dbraw/zinc/37/49/98/131374998.db2.gz VPRTZCPJYTVJTM-QWHCGFSZSA-N 2 2 311.351 3.684 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000289578183 131397825 /nfs/dbraw/zinc/39/78/25/131397825.db2.gz HSZKEAWHNBMIGJ-VQTJNVASSA-N 2 2 310.441 3.833 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Oc2ccccc2)cn1 ZINC000297309389 132008661 /nfs/dbraw/zinc/00/86/61/132008661.db2.gz MTVSPVUHBSKELC-JKSUJKDBSA-N 2 2 313.445 3.722 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000163821037 132123653 /nfs/dbraw/zinc/12/36/53/132123653.db2.gz MARAFGXSAGXNQW-NSHDSACASA-N 2 2 309.335 3.652 20 0 DHADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000343321711 335079421 /nfs/dbraw/zinc/07/94/21/335079421.db2.gz OMBHYYQUQJREML-ZWKOTPCHSA-N 2 2 319.493 3.723 20 0 DHADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000343321711 335079422 /nfs/dbraw/zinc/07/94/22/335079422.db2.gz OMBHYYQUQJREML-ZWKOTPCHSA-N 2 2 319.493 3.723 20 0 DHADLP C[NH+](C)C1CCN(c2ccc(NCC3CCCCC3)[nH+]c2)CC1 ZINC000532785585 435193705 /nfs/dbraw/zinc/19/37/05/435193705.db2.gz SEDFKMZHUJNERX-UHFFFAOYSA-N 2 2 316.493 3.604 20 0 DHADLP Clc1ccc(/C=C/C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000179972484 331554140 /nfs/dbraw/zinc/55/41/40/331554140.db2.gz XATGFMMYUFVOHX-ONEGZZNKSA-N 2 2 304.865 3.913 20 0 DHADLP C[C@@H](CCC(C)(C)C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000556588058 331718485 /nfs/dbraw/zinc/71/84/85/331718485.db2.gz HQDXGCFVLTZWPN-KRWDZBQOSA-N 2 2 318.505 3.823 20 0 DHADLP Clc1cccc(C2CC([NH2+]Cc3c[nH+]c4n3CCCC4)C2)c1 ZINC000556611726 331720276 /nfs/dbraw/zinc/72/02/76/331720276.db2.gz VGIUUCCBZMYQDY-UHFFFAOYSA-N 2 2 315.848 3.909 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1 ZINC000556871098 331744633 /nfs/dbraw/zinc/74/46/33/331744633.db2.gz JJUYBEQVKWYBTL-CABCVRRESA-N 2 2 312.461 3.550 20 0 DHADLP c1csc(C[NH+]2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)c1 ZINC000363791260 332248374 /nfs/dbraw/zinc/24/83/74/332248374.db2.gz IZRJKKSRSRNBJZ-LJQANCHMSA-N 2 2 312.482 3.990 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]CCCc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000559778343 332281229 /nfs/dbraw/zinc/28/12/29/332281229.db2.gz ZYIVQOBDNWNCBE-UXHICEINSA-N 2 2 312.432 3.793 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000559778343 332281230 /nfs/dbraw/zinc/28/12/30/332281230.db2.gz ZYIVQOBDNWNCBE-UXHICEINSA-N 2 2 312.432 3.793 20 0 DHADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152871344 332329900 /nfs/dbraw/zinc/32/99/00/332329900.db2.gz LRZBLSJNHYDWCE-YJBOKZPZSA-N 2 2 309.457 3.908 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000525990493 332340747 /nfs/dbraw/zinc/34/07/47/332340747.db2.gz WJJJBMCPIUHDJM-ZOBORPQBSA-N 2 2 312.910 3.825 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000525990493 332340749 /nfs/dbraw/zinc/34/07/49/332340749.db2.gz WJJJBMCPIUHDJM-ZOBORPQBSA-N 2 2 312.910 3.825 20 0 DHADLP CC(C)C[C@H](CN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1)[NH+](C)C ZINC000560522822 332350187 /nfs/dbraw/zinc/35/01/87/332350187.db2.gz KBCATGDUELCOQJ-IAGOWNOFSA-N 2 2 306.498 3.597 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000560586280 332365762 /nfs/dbraw/zinc/36/57/62/332365762.db2.gz MAICAFOWUDNBEK-PKOBYXMFSA-N 2 2 302.462 3.610 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000560586280 332365764 /nfs/dbraw/zinc/36/57/64/332365764.db2.gz MAICAFOWUDNBEK-PKOBYXMFSA-N 2 2 302.462 3.610 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000560910239 332394011 /nfs/dbraw/zinc/39/40/11/332394011.db2.gz OALPOOCROHSPGB-PKOBYXMFSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000560910239 332394012 /nfs/dbraw/zinc/39/40/12/332394012.db2.gz OALPOOCROHSPGB-PKOBYXMFSA-N 2 2 315.505 3.852 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]CC1CCC(c3ccccc3)CC1)CC2 ZINC000561955088 332522216 /nfs/dbraw/zinc/52/22/16/332522216.db2.gz USLOROYBXIVCQA-KVZIAJEVSA-N 2 2 309.457 3.762 20 0 DHADLP C[NH+](C)CC[NH2+][C@H]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000562055293 332538233 /nfs/dbraw/zinc/53/82/33/332538233.db2.gz UKQPTFSZJPCNML-CVEARBPZSA-N 2 2 314.395 3.883 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000427857580 332543280 /nfs/dbraw/zinc/54/32/80/332543280.db2.gz ZILXNYCTIDGLGL-DOTOQJQBSA-N 2 2 315.848 3.909 20 0 DHADLP Clc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427875508 332552094 /nfs/dbraw/zinc/55/20/94/332552094.db2.gz KCIVBEBWOGLZMD-BLLLJJGKSA-N 2 2 301.821 3.519 20 0 DHADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427876174 332552574 /nfs/dbraw/zinc/55/25/74/332552574.db2.gz VCMXHFDZNRBBPQ-NHYWBVRUSA-N 2 2 322.239 3.782 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1nc(-c2ccccc2)cs1 ZINC000427880244 332553147 /nfs/dbraw/zinc/55/31/47/332553147.db2.gz ZZACGOULOQQDSB-ZFWWWQNUSA-N 2 2 324.453 3.672 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000427894073 332556933 /nfs/dbraw/zinc/55/69/33/332556933.db2.gz QAEMETOFRCPTOA-SMDDNHRTSA-N 2 2 309.335 3.568 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000225267421 332660055 /nfs/dbraw/zinc/66/00/55/332660055.db2.gz FDWROFSKCJBWPH-JTQLQIEISA-N 2 2 319.674 3.532 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312772430 333005408 /nfs/dbraw/zinc/00/54/08/333005408.db2.gz SWWHPCDWENDDFZ-KKZNHRDASA-N 2 2 307.290 3.873 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312772430 333005410 /nfs/dbraw/zinc/00/54/10/333005410.db2.gz SWWHPCDWENDDFZ-KKZNHRDASA-N 2 2 307.290 3.873 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000171976032 333056537 /nfs/dbraw/zinc/05/65/37/333056537.db2.gz MWNIVMHODVHZJY-MRXNPFEDSA-N 2 2 309.457 3.569 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000171976032 333056538 /nfs/dbraw/zinc/05/65/38/333056538.db2.gz MWNIVMHODVHZJY-MRXNPFEDSA-N 2 2 309.457 3.569 20 0 DHADLP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182093688 333149317 /nfs/dbraw/zinc/14/93/17/333149317.db2.gz IGFQHUSWCVVOGN-XEYRCQSKSA-N 2 2 309.457 3.778 20 0 DHADLP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182093688 333149318 /nfs/dbraw/zinc/14/93/18/333149318.db2.gz IGFQHUSWCVVOGN-XEYRCQSKSA-N 2 2 309.457 3.778 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000387762827 333172503 /nfs/dbraw/zinc/17/25/03/333172503.db2.gz XNKNLPLEMFRQFM-GJZGRUSLSA-N 2 2 308.441 3.749 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000387762827 333172505 /nfs/dbraw/zinc/17/25/05/333172505.db2.gz XNKNLPLEMFRQFM-GJZGRUSLSA-N 2 2 308.441 3.749 20 0 DHADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000563051980 333211744 /nfs/dbraw/zinc/21/17/44/333211744.db2.gz HATZGGDBDCMDOI-NJDAHSKKSA-N 2 2 324.468 3.873 20 0 DHADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2ncccc2c1 ZINC000310293272 333232252 /nfs/dbraw/zinc/23/22/52/333232252.db2.gz OFCMHASIHXAXHH-QGZVFWFLSA-N 2 2 319.452 3.845 20 0 DHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2ncccc2c1 ZINC000310293272 333232253 /nfs/dbraw/zinc/23/22/53/333232253.db2.gz OFCMHASIHXAXHH-QGZVFWFLSA-N 2 2 319.452 3.845 20 0 DHADLP C[C@H]([NH2+]CCc1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120141600 333275785 /nfs/dbraw/zinc/27/57/85/333275785.db2.gz RXNPEFDQBFXIES-HNNXBMFYSA-N 2 2 309.388 3.905 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261927471 333289791 /nfs/dbraw/zinc/28/97/91/333289791.db2.gz IZMCUSINRBRJMG-OCCSQVGLSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261927471 333289793 /nfs/dbraw/zinc/28/97/93/333289793.db2.gz IZMCUSINRBRJMG-OCCSQVGLSA-N 2 2 319.836 3.554 20 0 DHADLP COc1cccc([C@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000390589980 333304449 /nfs/dbraw/zinc/30/44/49/333304449.db2.gz QJXRRYVGLJAJEY-SJORKVTESA-N 2 2 312.457 3.866 20 0 DHADLP COc1cccc([C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000390589980 333304450 /nfs/dbraw/zinc/30/44/50/333304450.db2.gz QJXRRYVGLJAJEY-SJORKVTESA-N 2 2 312.457 3.866 20 0 DHADLP COCCC(C)(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183942463 333328077 /nfs/dbraw/zinc/32/80/77/333328077.db2.gz JGIWUZVPYFHEET-OAHLLOKOSA-N 2 2 301.434 3.586 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CC[N@@H+]1C ZINC000531213524 333335220 /nfs/dbraw/zinc/33/52/20/333335220.db2.gz YLHMWPNYNLFNLM-ZFWWWQNUSA-N 2 2 307.507 3.763 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CC[N@H+]1C ZINC000531213524 333335221 /nfs/dbraw/zinc/33/52/21/333335221.db2.gz YLHMWPNYNLFNLM-ZFWWWQNUSA-N 2 2 307.507 3.763 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(C)C)C[C@@H]1C ZINC000531382307 333348024 /nfs/dbraw/zinc/34/80/24/333348024.db2.gz SDRCQHPERKQPPH-FUHWJXTLSA-N 2 2 304.478 3.778 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(C)C)C[C@@H]1C ZINC000531382307 333348025 /nfs/dbraw/zinc/34/80/25/333348025.db2.gz SDRCQHPERKQPPH-FUHWJXTLSA-N 2 2 304.478 3.778 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OC(C)C)C[C@@H]1C ZINC000531382307 333348026 /nfs/dbraw/zinc/34/80/26/333348026.db2.gz SDRCQHPERKQPPH-FUHWJXTLSA-N 2 2 304.478 3.778 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(C)C)C[C@@H]1C ZINC000531382307 333348027 /nfs/dbraw/zinc/34/80/27/333348027.db2.gz SDRCQHPERKQPPH-FUHWJXTLSA-N 2 2 304.478 3.778 20 0 DHADLP Clc1c[nH+]ccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000531406667 333349986 /nfs/dbraw/zinc/34/99/86/333349986.db2.gz QNFDNZGIMXVUQE-DAXSKMNVSA-N 2 2 313.832 3.570 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccsc2Br)c2ccccc21 ZINC000388566405 333357723 /nfs/dbraw/zinc/35/77/23/333357723.db2.gz UUYMMGFRVBRWSI-QWHCGFSZSA-N 2 2 323.259 3.745 20 0 DHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1 ZINC000186838380 333379579 /nfs/dbraw/zinc/37/95/79/333379579.db2.gz FIENCEYTYRBPBV-SFHVURJKSA-N 2 2 313.420 3.930 20 0 DHADLP c1cncc(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000563131648 333395393 /nfs/dbraw/zinc/39/53/93/333395393.db2.gz BFVWMHMYCGWIMZ-SFTDATJTSA-N 2 2 321.468 3.855 20 0 DHADLP c1cncc(-c2cccc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000563131648 333395395 /nfs/dbraw/zinc/39/53/95/333395395.db2.gz BFVWMHMYCGWIMZ-SFTDATJTSA-N 2 2 321.468 3.855 20 0 DHADLP C[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)Cc1ccccc1 ZINC000571006275 333478163 /nfs/dbraw/zinc/47/81/63/333478163.db2.gz DCCWJFDAIUDTIU-SFHVURJKSA-N 2 2 319.452 3.900 20 0 DHADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000534095189 333560157 /nfs/dbraw/zinc/56/01/57/333560157.db2.gz QNRVMTRHXVEHAQ-HNNXBMFYSA-N 2 2 315.848 3.927 20 0 DHADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC1(C)C ZINC000414074502 333891600 /nfs/dbraw/zinc/89/16/00/333891600.db2.gz WWSOXIMRBBWXOV-QZTJIDSGSA-N 2 2 311.473 3.888 20 0 DHADLP COc1ccc([C@@H](CCC(C)C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000414130997 333899802 /nfs/dbraw/zinc/89/98/02/333899802.db2.gz YEAMTBAJUWMYNS-LJQANCHMSA-N 2 2 315.461 3.738 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)c2cccnc2)n1-c1ccccc1 ZINC000414551840 334016219 /nfs/dbraw/zinc/01/62/19/334016219.db2.gz CEZGVQYXOZYDGU-UHFFFAOYSA-N 2 2 320.440 3.643 20 0 DHADLP [NH3+]C1(c2noc(-c3ccccc3Oc3cc[nH+]cc3)n2)CCCC1 ZINC000414622311 334044883 /nfs/dbraw/zinc/04/48/83/334044883.db2.gz SLEPUHGTKNAENM-UHFFFAOYSA-N 2 2 322.368 3.652 20 0 DHADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276354323 334076188 /nfs/dbraw/zinc/07/61/88/334076188.db2.gz UWBBFPISLCWFFG-CQSZACIVSA-N 2 2 322.412 3.659 20 0 DHADLP Cc1cccc2nc(C3CC[NH+](C[C@H]([NH3+])CC(C)C)CC3)oc21 ZINC000414740728 334078247 /nfs/dbraw/zinc/07/82/47/334078247.db2.gz JZTHAPIIVAWVFU-MRXNPFEDSA-N 2 2 315.461 3.689 20 0 DHADLP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000343553901 335171919 /nfs/dbraw/zinc/17/19/19/335171919.db2.gz DOBIKAGYHZORSN-FUHWJXTLSA-N 2 2 301.478 3.604 20 0 DHADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)CCO1 ZINC000414821133 334108529 /nfs/dbraw/zinc/10/85/29/334108529.db2.gz BUQFFTHZPYRTMY-KFKAGJAMSA-N 2 2 304.478 3.605 20 0 DHADLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2ccsc2)n1)C1CCCCC1 ZINC000414830672 334110648 /nfs/dbraw/zinc/11/06/48/334110648.db2.gz BIXWNSUBNYYBIP-HNNXBMFYSA-N 2 2 321.515 3.869 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414839388 334112259 /nfs/dbraw/zinc/11/22/59/334112259.db2.gz WGNYBSAXFYMONJ-PBHICJAKSA-N 2 2 300.471 3.629 20 0 DHADLP [NH3+]C1(C[NH2+]Cc2nc3ccc(F)cc3s2)CCCCCC1 ZINC000414857447 334131128 /nfs/dbraw/zinc/13/11/28/334131128.db2.gz DIHPVKKTSHKMIV-UHFFFAOYSA-N 2 2 307.438 3.577 20 0 DHADLP CC[NH2+]Cc1cccc(NCc2c[nH+]c(C)n2-c2ccccc2)c1 ZINC000414860566 334132944 /nfs/dbraw/zinc/13/29/44/334132944.db2.gz CZOMHEMKBMMSPA-UHFFFAOYSA-N 2 2 320.440 3.902 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000292663577 334190367 /nfs/dbraw/zinc/19/03/67/334190367.db2.gz ANIMRMJFSQCERZ-KRWDZBQOSA-N 2 2 303.494 3.677 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000292663577 334190368 /nfs/dbraw/zinc/19/03/68/334190368.db2.gz ANIMRMJFSQCERZ-KRWDZBQOSA-N 2 2 303.494 3.677 20 0 DHADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000415080403 334272045 /nfs/dbraw/zinc/27/20/45/334272045.db2.gz JEZOPMQEOHPZCD-UONOGXRCSA-N 2 2 319.474 3.804 20 0 DHADLP [NH3+]CC[C@@H]([NH2+]CCCCc1cccc(C(F)(F)F)c1)C(F)F ZINC000414982867 334226659 /nfs/dbraw/zinc/22/66/59/334226659.db2.gz ATEMZSOWDIBXJA-CYBMUJFWSA-N 2 2 324.337 3.600 20 0 DHADLP CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000296275326 334231385 /nfs/dbraw/zinc/23/13/85/334231385.db2.gz CAUPCLAUPSLADF-QGZVFWFLSA-N 2 2 321.428 3.808 20 0 DHADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000415050057 334258929 /nfs/dbraw/zinc/25/89/29/334258929.db2.gz IEJPTMCXPMFZFM-CQSZACIVSA-N 2 2 323.893 3.927 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnc(CC(C)C)s1 ZINC000415068186 334262808 /nfs/dbraw/zinc/26/28/08/334262808.db2.gz QMFUZVGLXWKGEW-QGZVFWFLSA-N 2 2 317.502 3.694 20 0 DHADLP c1sc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1C1CC1 ZINC000415075920 334267266 /nfs/dbraw/zinc/26/72/66/334267266.db2.gz FZDLEFAYSCQTTQ-HOTGVXAUSA-N 2 2 313.470 3.603 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C(C)C)[C@@H](C)C2)CC1 ZINC000534630284 334305320 /nfs/dbraw/zinc/30/53/20/334305320.db2.gz PJZLLRKVVLUZTR-YQVWRLOYSA-N 2 2 324.553 3.926 20 0 DHADLP COc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000443011959 338442046 /nfs/dbraw/zinc/44/20/46/338442046.db2.gz IJZBXILCQQXGIS-OXQOHEQNSA-N 2 2 312.457 3.785 20 0 DHADLP COc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)ccc1SC ZINC000531957186 334313280 /nfs/dbraw/zinc/31/32/80/334313280.db2.gz BVAJWVUTVQHYTN-CQSZACIVSA-N 2 2 319.474 3.745 20 0 DHADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000531965079 334320010 /nfs/dbraw/zinc/32/00/10/334320010.db2.gz AKFCEXSXTWYKCM-SWLSCSKDSA-N 2 2 314.395 3.523 20 0 DHADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000531965079 334320011 /nfs/dbraw/zinc/32/00/11/334320011.db2.gz AKFCEXSXTWYKCM-SWLSCSKDSA-N 2 2 314.395 3.523 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCSCc1ccccc1 ZINC000534871653 334342604 /nfs/dbraw/zinc/34/26/04/334342604.db2.gz KSYYPGBKPHKBLY-MOPGFXCFSA-N 2 2 318.530 3.869 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCSCc1ccccc1 ZINC000534871653 334342606 /nfs/dbraw/zinc/34/26/06/334342606.db2.gz KSYYPGBKPHKBLY-MOPGFXCFSA-N 2 2 318.530 3.869 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCSCc1ccccc1 ZINC000534871653 334342608 /nfs/dbraw/zinc/34/26/08/334342608.db2.gz KSYYPGBKPHKBLY-MOPGFXCFSA-N 2 2 318.530 3.869 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCSCc1ccccc1 ZINC000534871653 334342610 /nfs/dbraw/zinc/34/26/10/334342610.db2.gz KSYYPGBKPHKBLY-MOPGFXCFSA-N 2 2 318.530 3.869 20 0 DHADLP CCC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccsc1 ZINC000443084450 338443732 /nfs/dbraw/zinc/44/37/32/338443732.db2.gz GPWTVGCTHZTWQT-MRXNPFEDSA-N 2 2 303.475 3.954 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CCSC1 ZINC000534971762 334351007 /nfs/dbraw/zinc/35/10/07/334351007.db2.gz HQEJKFRMQOGBMZ-SJORKVTESA-N 2 2 324.921 3.744 20 0 DHADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000531983713 334358278 /nfs/dbraw/zinc/35/82/78/334358278.db2.gz WVFAOGPVFUIPAZ-CZUORRHYSA-N 2 2 312.404 3.671 20 0 DHADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000531983713 334358280 /nfs/dbraw/zinc/35/82/80/334358280.db2.gz WVFAOGPVFUIPAZ-CZUORRHYSA-N 2 2 312.404 3.671 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1F ZINC000531991957 334366340 /nfs/dbraw/zinc/36/63/40/334366340.db2.gz HJKBDALEONEEFI-MKBNYLNASA-N 2 2 308.466 3.681 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1F ZINC000531991957 334366342 /nfs/dbraw/zinc/36/63/42/334366342.db2.gz HJKBDALEONEEFI-MKBNYLNASA-N 2 2 308.466 3.681 20 0 DHADLP Cc1cc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)nc(C2CC2)[nH+]1 ZINC000341496236 334448345 /nfs/dbraw/zinc/44/83/45/334448345.db2.gz ZVUOSDIIEPEBFJ-ZOBUZTSGSA-N 2 2 314.477 3.504 20 0 DHADLP C[C@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341598725 334460446 /nfs/dbraw/zinc/46/04/46/334460446.db2.gz UGTNDFZKPNEGQR-HKUYNNGSSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417354772 334707067 /nfs/dbraw/zinc/70/70/67/334707067.db2.gz MNZHFBOPQCXPID-ZDUSSCGKSA-N 2 2 314.395 3.710 20 0 DHADLP Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2cc(F)ccc2[nH+]1 ZINC000129860100 334918298 /nfs/dbraw/zinc/91/82/98/334918298.db2.gz JTCLQXSZIKFOSH-BFUOFWGJSA-N 2 2 324.403 3.966 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2cccs2)s1 ZINC000343623640 335182162 /nfs/dbraw/zinc/18/21/62/335182162.db2.gz PESZRVTVKUKVPN-UHFFFAOYSA-N 2 2 321.515 3.789 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2cccs2)s1 ZINC000343623640 335182164 /nfs/dbraw/zinc/18/21/64/335182164.db2.gz PESZRVTVKUKVPN-UHFFFAOYSA-N 2 2 321.515 3.789 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000343826571 335195979 /nfs/dbraw/zinc/19/59/79/335195979.db2.gz DNRWYKBSECMHCK-LLVKDONJSA-N 2 2 321.412 3.689 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000343839355 335201059 /nfs/dbraw/zinc/20/10/59/335201059.db2.gz MHOVHZMPYSCCDE-DCAQKATOSA-N 2 2 321.412 3.685 20 0 DHADLP Cc1cnc(C(C)(C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000344033550 335210850 /nfs/dbraw/zinc/21/08/50/335210850.db2.gz BRPLLWCLOUTGJV-UHFFFAOYSA-N 2 2 318.471 3.724 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000344166149 335226755 /nfs/dbraw/zinc/22/67/55/335226755.db2.gz JTORJQYJGLCUMQ-BMGDILEWSA-N 2 2 313.445 3.727 20 0 DHADLP CS[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000344368546 335245141 /nfs/dbraw/zinc/24/51/41/335245141.db2.gz VYZCNJJJRABIHY-AWEZNQCLSA-N 2 2 309.504 3.801 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC000366874870 335266257 /nfs/dbraw/zinc/26/62/57/335266257.db2.gz WDEVHQCASSGIKL-MRXNPFEDSA-N 2 2 315.465 3.621 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccnn2C(C)C)C1 ZINC000366874870 335266259 /nfs/dbraw/zinc/26/62/59/335266259.db2.gz WDEVHQCASSGIKL-MRXNPFEDSA-N 2 2 315.465 3.621 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000345228260 335310267 /nfs/dbraw/zinc/31/02/67/335310267.db2.gz YEFQBRRILJNOTJ-KBPBESRZSA-N 2 2 303.475 3.801 20 0 DHADLP Cc1ccsc1C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346185658 335382431 /nfs/dbraw/zinc/38/24/31/335382431.db2.gz VHWHVRHHAXNXTN-UHFFFAOYSA-N 2 2 303.456 3.936 20 0 DHADLP Cc1ccsc1C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346185658 335382433 /nfs/dbraw/zinc/38/24/33/335382433.db2.gz VHWHVRHHAXNXTN-UHFFFAOYSA-N 2 2 303.456 3.936 20 0 DHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1F ZINC000346166732 335384324 /nfs/dbraw/zinc/38/43/24/335384324.db2.gz GAGNRIBAVPGJQL-UHFFFAOYSA-N 2 2 301.390 3.705 20 0 DHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1F ZINC000346166732 335384325 /nfs/dbraw/zinc/38/43/25/335384325.db2.gz GAGNRIBAVPGJQL-UHFFFAOYSA-N 2 2 301.390 3.705 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000346309362 335398672 /nfs/dbraw/zinc/39/86/72/335398672.db2.gz LONQDLGLCHIUAC-UHFFFAOYSA-N 2 2 301.821 3.634 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000346309362 335398673 /nfs/dbraw/zinc/39/86/73/335398673.db2.gz LONQDLGLCHIUAC-UHFFFAOYSA-N 2 2 301.821 3.634 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12CCC2 ZINC000346311432 335398946 /nfs/dbraw/zinc/39/89/46/335398946.db2.gz GEEMJQBZCKXFLR-AWEZNQCLSA-N 2 2 301.459 3.946 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12CCC2 ZINC000346311432 335398947 /nfs/dbraw/zinc/39/89/47/335398947.db2.gz GEEMJQBZCKXFLR-AWEZNQCLSA-N 2 2 301.459 3.946 20 0 DHADLP c1cn(Cc2cccc(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)c2)c[nH+]1 ZINC000348247322 335567161 /nfs/dbraw/zinc/56/71/61/335567161.db2.gz QXWAZSUNXMRYFH-RTWAWAEBSA-N 2 2 317.436 3.825 20 0 DHADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000351051792 336008088 /nfs/dbraw/zinc/00/80/88/336008088.db2.gz GTDLXGUYZBKUTP-UHFFFAOYSA-N 2 2 302.393 3.612 20 0 DHADLP CCc1cccc(F)c1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351551601 336042902 /nfs/dbraw/zinc/04/29/02/336042902.db2.gz YJFQIRIJHORKSO-UHFFFAOYSA-N 2 2 310.376 3.640 20 0 DHADLP Fc1cccc(Cl)c1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351571155 336046133 /nfs/dbraw/zinc/04/61/33/336046133.db2.gz UOUHMOKEYUVUKB-UHFFFAOYSA-N 2 2 316.767 3.731 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(C)(C)C)n2)C[C@@H]1C ZINC000351685851 336058308 /nfs/dbraw/zinc/05/83/08/336058308.db2.gz GRCJQECVVLWDAA-DOTOQJQBSA-N 2 2 319.493 3.564 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(C)(C)C)n2)C[C@@H]1C ZINC000351685851 336058310 /nfs/dbraw/zinc/05/83/10/336058310.db2.gz GRCJQECVVLWDAA-DOTOQJQBSA-N 2 2 319.493 3.564 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC(C)(C)C)n2)C[C@@H]1C ZINC000351685851 336058312 /nfs/dbraw/zinc/05/83/12/336058312.db2.gz GRCJQECVVLWDAA-DOTOQJQBSA-N 2 2 319.493 3.564 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC(C)(C)C)n2)C[C@@H]1C ZINC000351685851 336058313 /nfs/dbraw/zinc/05/83/13/336058313.db2.gz GRCJQECVVLWDAA-DOTOQJQBSA-N 2 2 319.493 3.564 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)[C@@H]1c1ccccc1 ZINC000526112754 336157809 /nfs/dbraw/zinc/15/78/09/336157809.db2.gz HQGPMIIFRAEWSM-SFTDATJTSA-N 2 2 324.468 3.881 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)[C@@H]1c1ccccc1 ZINC000526112754 336157810 /nfs/dbraw/zinc/15/78/10/336157810.db2.gz HQGPMIIFRAEWSM-SFTDATJTSA-N 2 2 324.468 3.881 20 0 DHADLP Cc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2-c2ccccc2)on1 ZINC000352097972 336194679 /nfs/dbraw/zinc/19/46/79/336194679.db2.gz XZBLZJRRGDXHJK-SFHVURJKSA-N 2 2 322.412 3.814 20 0 DHADLP Cc1cc([C@@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2-c2ccccc2)on1 ZINC000352097972 336194680 /nfs/dbraw/zinc/19/46/80/336194680.db2.gz XZBLZJRRGDXHJK-SFHVURJKSA-N 2 2 322.412 3.814 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc2occc2c1 ZINC000352245508 336206420 /nfs/dbraw/zinc/20/64/20/336206420.db2.gz IAAKBEGIEJHESO-UHFFFAOYSA-N 2 2 305.381 3.881 20 0 DHADLP CCc1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000352250206 336206801 /nfs/dbraw/zinc/20/68/01/336206801.db2.gz DRJOWQNHIVCVCT-FQEVSTJZSA-N 2 2 309.457 3.571 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CCC1 ZINC000352487944 336221634 /nfs/dbraw/zinc/22/16/34/336221634.db2.gz KILVKQKZXJZBOC-JENIJYKNSA-N 2 2 316.489 3.587 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CCC1 ZINC000352487944 336221635 /nfs/dbraw/zinc/22/16/35/336221635.db2.gz KILVKQKZXJZBOC-JENIJYKNSA-N 2 2 316.489 3.587 20 0 DHADLP c1coc(C2=CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000352565250 336224818 /nfs/dbraw/zinc/22/48/18/336224818.db2.gz WZOUYYJFOSUBGB-UHFFFAOYSA-N 2 2 305.381 3.755 20 0 DHADLP c1coc(C2=CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000352565250 336224819 /nfs/dbraw/zinc/22/48/19/336224819.db2.gz WZOUYYJFOSUBGB-UHFFFAOYSA-N 2 2 305.381 3.755 20 0 DHADLP Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352737754 336233064 /nfs/dbraw/zinc/23/30/64/336233064.db2.gz RAAROWUZRCKUGW-CQSZACIVSA-N 2 2 303.475 3.672 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc3occc3c2)c[nH+]1 ZINC000352779363 336235885 /nfs/dbraw/zinc/23/58/85/336235885.db2.gz LASJZPYUUUVANH-UHFFFAOYSA-N 2 2 317.392 3.967 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1c3cc(C)ccc3C[C@H]1C)CCC2 ZINC000352782291 336236233 /nfs/dbraw/zinc/23/62/33/336236233.db2.gz HCVXMCGMPMVHDP-DKSSEZFCSA-N 2 2 309.457 3.900 20 0 DHADLP COc1cc(C)ccc1[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000532451851 336249927 /nfs/dbraw/zinc/24/99/27/336249927.db2.gz STQKZERVQNXXAC-OAHLLOKOSA-N 2 2 309.413 3.545 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000532487175 336251782 /nfs/dbraw/zinc/25/17/82/336251782.db2.gz HPDOZGRXUQNIHZ-DEYYWGMASA-N 2 2 304.503 3.932 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000532487175 336251783 /nfs/dbraw/zinc/25/17/83/336251783.db2.gz HPDOZGRXUQNIHZ-DEYYWGMASA-N 2 2 304.503 3.932 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000532487178 336251826 /nfs/dbraw/zinc/25/18/26/336251826.db2.gz HPDOZGRXUQNIHZ-SUNYJGFJSA-N 2 2 304.503 3.932 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000532487178 336251827 /nfs/dbraw/zinc/25/18/27/336251827.db2.gz HPDOZGRXUQNIHZ-SUNYJGFJSA-N 2 2 304.503 3.932 20 0 DHADLP C[C@H](CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532522465 336252284 /nfs/dbraw/zinc/25/22/84/336252284.db2.gz UONGLDJNJBYXGM-WWGRRREGSA-N 2 2 314.395 3.739 20 0 DHADLP C[C@H](CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532522465 336252285 /nfs/dbraw/zinc/25/22/85/336252285.db2.gz UONGLDJNJBYXGM-WWGRRREGSA-N 2 2 314.395 3.739 20 0 DHADLP C([NH2+]C(C1CC1)C1CC1)C1([NH+]2CCSCC2)CCCCC1 ZINC000532505330 336252655 /nfs/dbraw/zinc/25/26/55/336252655.db2.gz DMEYFLNHTBCTLU-UHFFFAOYSA-N 2 2 308.535 3.516 20 0 DHADLP Cc1cc(N2CCC[N@H+](Cc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000301116216 336290742 /nfs/dbraw/zinc/29/07/42/336290742.db2.gz ZEXPYHJGYHQFPX-UHFFFAOYSA-N 2 2 324.472 3.621 20 0 DHADLP Cc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)nc[nH+]1 ZINC000301235628 336296024 /nfs/dbraw/zinc/29/60/24/336296024.db2.gz LLXVXPBKVXYPMA-MRXNPFEDSA-N 2 2 310.445 3.861 20 0 DHADLP C[NH+](C)[C@H](CNc1cc[nH+]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000301452557 336307684 /nfs/dbraw/zinc/30/76/84/336307684.db2.gz AMOQGBLUPPZLOP-OAHLLOKOSA-N 2 2 316.836 3.722 20 0 DHADLP Cc1cc(NC2CC[NH+](C3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000301518851 336311979 /nfs/dbraw/zinc/31/19/79/336311979.db2.gz GFJLVCHFVSCJLS-UHFFFAOYSA-N 2 2 302.466 3.727 20 0 DHADLP Cc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2cc(F)ccc2[nH+]1 ZINC000301661473 336321497 /nfs/dbraw/zinc/32/14/97/336321497.db2.gz JTCLQXSZIKFOSH-YJYMSZOUSA-N 2 2 324.403 3.966 20 0 DHADLP C[C@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000301663512 336321759 /nfs/dbraw/zinc/32/17/59/336321759.db2.gz YRSRROHKKWFIRP-SCLBCKFNSA-N 2 2 310.376 3.658 20 0 DHADLP CCc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccccc2[nH+]1 ZINC000301783706 336329505 /nfs/dbraw/zinc/32/95/05/336329505.db2.gz JXXLTORQTCOLDA-KRWDZBQOSA-N 2 2 319.408 3.850 20 0 DHADLP C[NH+](C)CCCC1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000301864809 336334886 /nfs/dbraw/zinc/33/48/86/336334886.db2.gz BDBRJAHAFGEEQA-UHFFFAOYSA-N 2 2 315.383 3.659 20 0 DHADLP CC(C)c1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nc(C(C)C)[nH+]1 ZINC000301868782 336335283 /nfs/dbraw/zinc/33/52/83/336335283.db2.gz JBJSBZNDJJFJGU-GDBMZVCRSA-N 2 2 302.466 3.762 20 0 DHADLP CC(C)c1cc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)nc(C(C)C)[nH+]1 ZINC000301868782 336335284 /nfs/dbraw/zinc/33/52/84/336335284.db2.gz JBJSBZNDJJFJGU-GDBMZVCRSA-N 2 2 302.466 3.762 20 0 DHADLP Cc1[nH+]c2ccccc2c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1C ZINC000302185438 336353009 /nfs/dbraw/zinc/35/30/09/336353009.db2.gz UBGPZPOUKWJXAK-MRXNPFEDSA-N 2 2 318.424 3.937 20 0 DHADLP Cc1ccc2[nH+]ccc(N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000302225990 336354979 /nfs/dbraw/zinc/35/49/79/336354979.db2.gz PCZZWFKHZAJAQD-KXBFYZLASA-N 2 2 306.413 3.827 20 0 DHADLP COc1cccc2c(NC3CC[NH+](C4CC4)CC3)c(C)c[nH+]c12 ZINC000302617281 336362705 /nfs/dbraw/zinc/36/27/05/336362705.db2.gz DFNKBVUINONESY-UHFFFAOYSA-N 2 2 311.429 3.591 20 0 DHADLP Cc1sccc1C[N@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000353006878 336381772 /nfs/dbraw/zinc/38/17/72/336381772.db2.gz ILRGEWWZDYRAOW-QZTJIDSGSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1sccc1C[N@@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000353006878 336381773 /nfs/dbraw/zinc/38/17/73/336381773.db2.gz ILRGEWWZDYRAOW-QZTJIDSGSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1sccc1C[NH+](C)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000353006878 336381774 /nfs/dbraw/zinc/38/17/74/336381774.db2.gz ILRGEWWZDYRAOW-QZTJIDSGSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1sccc1C[NH+](C)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000353006878 336381775 /nfs/dbraw/zinc/38/17/75/336381775.db2.gz ILRGEWWZDYRAOW-QZTJIDSGSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000563954037 336388731 /nfs/dbraw/zinc/38/87/31/336388731.db2.gz HGLJJQMBRPKMDQ-UHFFFAOYSA-N 2 2 324.468 3.861 20 0 DHADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000563954037 336388732 /nfs/dbraw/zinc/38/87/32/336388732.db2.gz HGLJJQMBRPKMDQ-UHFFFAOYSA-N 2 2 324.468 3.861 20 0 DHADLP c1cc(NCc2ccc(C[NH+]3CCCCC3)cc2)nc(C2CC2)[nH+]1 ZINC000110123772 336395780 /nfs/dbraw/zinc/39/57/80/336395780.db2.gz SDLYUDUFPZBMRC-UHFFFAOYSA-N 2 2 322.456 3.952 20 0 DHADLP Cc1ccc(CCC[NH+]2CCC(OC3CCCC3)CC2)c[nH+]1 ZINC000353657087 336432323 /nfs/dbraw/zinc/43/23/23/336432323.db2.gz GKVUPIRGCJRRBQ-UHFFFAOYSA-N 2 2 302.462 3.746 20 0 DHADLP Cc1ccc(CCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000353946870 336450404 /nfs/dbraw/zinc/45/04/04/336450404.db2.gz WNSQYDDLHOIROH-UHFFFAOYSA-N 3 2 323.484 3.577 20 0 DHADLP C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353979465 336452400 /nfs/dbraw/zinc/45/24/00/336452400.db2.gz QRXDDJPHRVJFQP-GFCCVEGCSA-N 2 2 309.335 3.865 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2ccccc2Br)c[nH+]1 ZINC000354145507 336461467 /nfs/dbraw/zinc/46/14/67/336461467.db2.gz DAHSSUYDZZXZRG-UHFFFAOYSA-N 2 2 319.246 3.875 20 0 DHADLP CCCCOc1ncccc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354159527 336461874 /nfs/dbraw/zinc/46/18/74/336461874.db2.gz VAUXZCJYJQXUHS-UHFFFAOYSA-N 2 2 313.445 3.686 20 0 DHADLP Cc1ccc(CCC[NH2+]CCc2c[nH]c3cc(F)ccc23)c[nH+]1 ZINC000354172647 336462344 /nfs/dbraw/zinc/46/23/44/336462344.db2.gz CKEZWMVKWZBQKN-UHFFFAOYSA-N 2 2 311.404 3.775 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000354636289 336477188 /nfs/dbraw/zinc/47/71/88/336477188.db2.gz SCZICKOAEKGPGQ-QNWHQSFQSA-N 2 2 321.877 3.695 20 0 DHADLP Cc1ccccc1OCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000356958172 336567343 /nfs/dbraw/zinc/56/73/43/336567343.db2.gz UECGNYINJMVYSR-QGZVFWFLSA-N 2 2 321.424 3.910 20 0 DHADLP c1ccc(C2CC([NH2+]C3CC[NH+](Cc4cccnc4)CC3)C2)cc1 ZINC000358113759 336612181 /nfs/dbraw/zinc/61/21/81/336612181.db2.gz SVFOQLQHAPBNCM-UHFFFAOYSA-N 2 2 321.468 3.582 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358153289 336613632 /nfs/dbraw/zinc/61/36/32/336613632.db2.gz IDZNVVKVBQMAGZ-HOTGVXAUSA-N 2 2 322.518 3.560 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)c2cccc(Br)c21 ZINC000359518215 336675784 /nfs/dbraw/zinc/67/57/84/336675784.db2.gz XSVCFVJGABKREH-WFASDCNBSA-N 2 2 323.278 3.683 20 0 DHADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cc(Cl)ccc1OC ZINC000360037515 336698618 /nfs/dbraw/zinc/69/86/18/336698618.db2.gz KKYMZEIPJMIWPO-DOMZBBRYSA-N 2 2 307.825 3.675 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c2ccccc12 ZINC000360040636 336698777 /nfs/dbraw/zinc/69/87/77/336698777.db2.gz VEXSNLLPCSFIJJ-GJZGRUSLSA-N 2 2 309.413 3.784 20 0 DHADLP CC[NH+](CC)CCCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000360170535 336703541 /nfs/dbraw/zinc/70/35/41/336703541.db2.gz JROYKOFDNWYQQB-UHFFFAOYSA-N 2 2 318.509 3.740 20 0 DHADLP Oc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000361008834 336732782 /nfs/dbraw/zinc/73/27/82/336732782.db2.gz HLHGPWFBLATFIQ-HXUWFJFHSA-N 2 2 319.408 3.745 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000361328762 336751514 /nfs/dbraw/zinc/75/15/14/336751514.db2.gz QSJYBKGIJWOOFN-NVXWUHKLSA-N 2 2 315.461 3.530 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H](CCO)C(C)C ZINC000361339095 336752132 /nfs/dbraw/zinc/75/21/32/336752132.db2.gz KSBCQGCLLKHVSE-QGZVFWFLSA-N 2 2 317.477 3.512 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H](CCO)C(C)C ZINC000361339094 336752163 /nfs/dbraw/zinc/75/21/63/336752163.db2.gz KSBCQGCLLKHVSE-KRWDZBQOSA-N 2 2 317.477 3.512 20 0 DHADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000361482369 336758559 /nfs/dbraw/zinc/75/85/59/336758559.db2.gz XFMHATODLMMLCN-HNNXBMFYSA-N 2 2 307.397 3.732 20 0 DHADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1 ZINC000361967599 336780316 /nfs/dbraw/zinc/78/03/16/336780316.db2.gz MKLQDHXSNAYMLA-HOTGVXAUSA-N 2 2 312.910 3.818 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](C2CCC(C)CC2)CC1)c1nccn1C ZINC000362005436 336781767 /nfs/dbraw/zinc/78/17/67/336781767.db2.gz UEVCDXFPBVZGJQ-VJFUWPCTSA-N 2 2 318.509 3.504 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CC[C@@H](c4ccccc4)O3)n2c1 ZINC000368083360 336837480 /nfs/dbraw/zinc/83/74/80/336837480.db2.gz LAVTUDBAFHDZPI-MOPGFXCFSA-N 2 2 321.424 3.653 20 0 DHADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](Cc3cccs3)CC2)C(C)(C)O1 ZINC000368445902 336844978 /nfs/dbraw/zinc/84/49/78/336844978.db2.gz QBQKHMKKJUMZMS-INIZCTEOSA-N 2 2 322.518 3.648 20 0 DHADLP c1c(CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)[nH+]c2ccccn12 ZINC000369110986 336858710 /nfs/dbraw/zinc/85/87/10/336858710.db2.gz DZDPBIVMASEDTP-WMZOPIPTSA-N 2 2 320.440 3.588 20 0 DHADLP c1ccc([C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C2CC2)cc1 ZINC000120402354 336911517 /nfs/dbraw/zinc/91/15/17/336911517.db2.gz KCHVIPAMCPLEHE-NRFANRHFSA-N 2 2 321.468 3.787 20 0 DHADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](Cc3ccsc3)CC2)C(C)(C)O1 ZINC000121324481 336945499 /nfs/dbraw/zinc/94/54/99/336945499.db2.gz OBEOAHYRUHDPSQ-INIZCTEOSA-N 2 2 322.518 3.648 20 0 DHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000121791971 336977705 /nfs/dbraw/zinc/97/77/05/336977705.db2.gz ZUEQIHQYGXMVRU-UHFFFAOYSA-N 2 2 321.827 3.667 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)n2c1 ZINC000374485864 336990320 /nfs/dbraw/zinc/99/03/20/336990320.db2.gz FUAOQUYHIRFIDD-PXNSSMCTSA-N 2 2 321.424 3.510 20 0 DHADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1OC(F)F ZINC000375271939 337007060 /nfs/dbraw/zinc/00/70/60/337007060.db2.gz IIGCGJQREHTOAS-GFCCVEGCSA-N 2 2 321.371 3.672 20 0 DHADLP C[C@H]1CCC[C@H](CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000122415359 337008125 /nfs/dbraw/zinc/00/81/25/337008125.db2.gz AJHKMGRTOPSHIV-ZWKOTPCHSA-N 2 2 315.505 3.852 20 0 DHADLP Fc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000375346356 337008719 /nfs/dbraw/zinc/00/87/19/337008719.db2.gz XBPUYVHKDIDSTP-GOSISDBHSA-N 2 2 323.371 3.625 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cnn(C(C)C)c1C)CCC2 ZINC000375484177 337011925 /nfs/dbraw/zinc/01/19/25/337011925.db2.gz NOVUURRBKPFBGW-GDBMZVCRSA-N 2 2 315.465 3.506 20 0 DHADLP CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375515544 337012620 /nfs/dbraw/zinc/01/26/20/337012620.db2.gz SMURFGRUWGFMOE-RHSMWYFYSA-N 2 2 309.523 3.832 20 0 DHADLP CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375515544 337012621 /nfs/dbraw/zinc/01/26/21/337012621.db2.gz SMURFGRUWGFMOE-RHSMWYFYSA-N 2 2 309.523 3.832 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@@H](C)F)CC1 ZINC000375715856 337017663 /nfs/dbraw/zinc/01/76/63/337017663.db2.gz ZMZMSOFSRHQZAG-CQSZACIVSA-N 2 2 303.425 3.984 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@H](C)F)CC1 ZINC000375715855 337017670 /nfs/dbraw/zinc/01/76/70/337017670.db2.gz ZMZMSOFSRHQZAG-AWEZNQCLSA-N 2 2 303.425 3.984 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](CCC(C)C)c1ccoc1)C2 ZINC000375804218 337019968 /nfs/dbraw/zinc/01/99/68/337019968.db2.gz HEJQFQAZYNRFBJ-SJORKVTESA-N 2 2 301.434 3.866 20 0 DHADLP C[C@]1(c2cccc(C(F)(F)F)c2)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000376538358 337036214 /nfs/dbraw/zinc/03/62/14/337036214.db2.gz FJFGZQYLAQDLKE-INIZCTEOSA-N 2 2 323.362 3.566 20 0 DHADLP C[C@]1(c2cccc(C(F)(F)F)c2)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000376538358 337036215 /nfs/dbraw/zinc/03/62/15/337036215.db2.gz FJFGZQYLAQDLKE-INIZCTEOSA-N 2 2 323.362 3.566 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000377262128 337049678 /nfs/dbraw/zinc/04/96/78/337049678.db2.gz NGTSDMPACSMOPA-ZDUSSCGKSA-N 2 2 321.827 3.635 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000377262128 337049679 /nfs/dbraw/zinc/04/96/79/337049679.db2.gz NGTSDMPACSMOPA-ZDUSSCGKSA-N 2 2 321.827 3.635 20 0 DHADLP CCc1nccc([C@H]2CCC[N@H+](CCCc3c[nH+]ccc3C)C2)n1 ZINC000377541958 337054758 /nfs/dbraw/zinc/05/47/58/337054758.db2.gz MWGLOYREZJGZPL-SFHVURJKSA-N 2 2 324.472 3.555 20 0 DHADLP CCc1nccc([C@H]2CCC[N@@H+](CCCc3c[nH+]ccc3C)C2)n1 ZINC000377541958 337054759 /nfs/dbraw/zinc/05/47/59/337054759.db2.gz MWGLOYREZJGZPL-SFHVURJKSA-N 2 2 324.472 3.555 20 0 DHADLP Cc1cc(C=C2CC[NH+](CCCc3c[nH+]ccc3C)CC2)no1 ZINC000377549611 337054884 /nfs/dbraw/zinc/05/48/84/337054884.db2.gz MBOWKOQEQNKNHP-UHFFFAOYSA-N 2 2 311.429 3.798 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)ccc2c1 ZINC000377798983 337061291 /nfs/dbraw/zinc/06/12/91/337061291.db2.gz PGPKAEYFIRTMOI-CXAGYDPISA-N 2 2 321.424 3.780 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)ccc2c1 ZINC000377798983 337061292 /nfs/dbraw/zinc/06/12/92/337061292.db2.gz PGPKAEYFIRTMOI-CXAGYDPISA-N 2 2 321.424 3.780 20 0 DHADLP Fc1ccccc1[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000377802871 337061537 /nfs/dbraw/zinc/06/15/37/337061537.db2.gz OOYBGXLSVYJBEW-KUHUBIRLSA-N 2 2 313.420 3.927 20 0 DHADLP Fc1ccccc1[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000377802871 337061538 /nfs/dbraw/zinc/06/15/38/337061538.db2.gz OOYBGXLSVYJBEW-KUHUBIRLSA-N 2 2 313.420 3.927 20 0 DHADLP FC(F)(F)c1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378063925 337065792 /nfs/dbraw/zinc/06/57/92/337065792.db2.gz YBWLFCFKVCYUPD-UHFFFAOYSA-N 2 2 309.335 3.808 20 0 DHADLP CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000378147077 337067204 /nfs/dbraw/zinc/06/72/04/337067204.db2.gz HQERHUIBAMATEK-HNJRGHQBSA-N 2 2 315.505 3.850 20 0 DHADLP CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000378147077 337067205 /nfs/dbraw/zinc/06/72/05/337067205.db2.gz HQERHUIBAMATEK-HNJRGHQBSA-N 2 2 315.505 3.850 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCc1ccccc1F)CCC2 ZINC000378185969 337067827 /nfs/dbraw/zinc/06/78/27/337067827.db2.gz VEIQZCXAZXNOKV-PBHICJAKSA-N 2 2 315.436 3.819 20 0 DHADLP COCC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000360001259 337083681 /nfs/dbraw/zinc/08/36/81/337083681.db2.gz VMUNEVMUDQERJX-GOSISDBHSA-N 2 2 320.477 3.744 20 0 DHADLP C[C@@H]1Oc2c(cccc2F)[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000360063476 337085013 /nfs/dbraw/zinc/08/50/13/337085013.db2.gz ZLUPRRGYUQIUMK-BLLLJJGKSA-N 2 2 306.425 3.500 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccccc1OC ZINC000360080046 337085061 /nfs/dbraw/zinc/08/50/61/337085061.db2.gz SVYSNGHDHCIQGA-WBVHZDCISA-N 2 2 313.445 3.818 20 0 DHADLP Cc1nc2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2s1 ZINC000582546157 337103323 /nfs/dbraw/zinc/10/33/23/337103323.db2.gz CUDTYRWGXUFKCS-DOTOQJQBSA-N 2 2 315.486 3.711 20 0 DHADLP Cc1nc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2s1 ZINC000582546157 337103324 /nfs/dbraw/zinc/10/33/24/337103324.db2.gz CUDTYRWGXUFKCS-DOTOQJQBSA-N 2 2 315.486 3.711 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000173315049 337134645 /nfs/dbraw/zinc/13/46/45/337134645.db2.gz OODRDGGNQGPIFT-AWEZNQCLSA-N 2 2 324.453 3.840 20 0 DHADLP C[N@H+](Cc1cc2ccccc2o1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177364040 337155497 /nfs/dbraw/zinc/15/54/97/337155497.db2.gz UHNGRYOAEHZTKL-UHFFFAOYSA-N 2 2 318.380 3.646 20 0 DHADLP C[N@@H+](Cc1cc2ccccc2o1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177364040 337155498 /nfs/dbraw/zinc/15/54/98/337155498.db2.gz UHNGRYOAEHZTKL-UHFFFAOYSA-N 2 2 318.380 3.646 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)nc2ccccc12 ZINC000177321500 337156977 /nfs/dbraw/zinc/15/69/77/337156977.db2.gz ZYSLRLYZWDYTAV-MSOLQXFVSA-N 2 2 309.457 3.602 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)nc2ccccc12 ZINC000177321500 337156978 /nfs/dbraw/zinc/15/69/78/337156978.db2.gz ZYSLRLYZWDYTAV-MSOLQXFVSA-N 2 2 309.457 3.602 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)nc2ccccc12 ZINC000177321500 337156979 /nfs/dbraw/zinc/15/69/79/337156979.db2.gz ZYSLRLYZWDYTAV-MSOLQXFVSA-N 2 2 309.457 3.602 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)nc2ccccc12 ZINC000177321500 337156980 /nfs/dbraw/zinc/15/69/80/337156980.db2.gz ZYSLRLYZWDYTAV-MSOLQXFVSA-N 2 2 309.457 3.602 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000178756294 337164900 /nfs/dbraw/zinc/16/49/00/337164900.db2.gz XCNKTDNZYCKOAN-JTDSTZFVSA-N 2 2 310.441 3.706 20 0 DHADLP Fc1ccc(C2([NH2+]Cc3cccc4[nH+]ccn43)CCC2)c(F)c1 ZINC000179431354 337169424 /nfs/dbraw/zinc/16/94/24/337169424.db2.gz CZYMYVUXQODCIO-UHFFFAOYSA-N 2 2 313.351 3.782 20 0 DHADLP C[C@@H]1C[C@H](Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC[N@@H+]1C ZINC000182923775 337190719 /nfs/dbraw/zinc/19/07/19/337190719.db2.gz GTRZWKCPPDOCBU-CRAIPNDOSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@@H]1C[C@H](Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC[N@H+]1C ZINC000182923775 337190720 /nfs/dbraw/zinc/19/07/20/337190720.db2.gz GTRZWKCPPDOCBU-CRAIPNDOSA-N 2 2 324.472 3.781 20 0 DHADLP CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000185196725 337202588 /nfs/dbraw/zinc/20/25/88/337202588.db2.gz RWINDGJXHGPPTK-RTBURBONSA-N 2 2 313.445 3.556 20 0 DHADLP C[N@H+](CC[NH2+][C@@H](c1cccs1)C1CC1)Cc1ccccc1 ZINC000395701300 337226966 /nfs/dbraw/zinc/22/69/66/337226966.db2.gz LKJMVWLFZGPHGT-GOSISDBHSA-N 2 2 300.471 3.921 20 0 DHADLP C[N@@H+](CC[NH2+][C@@H](c1cccs1)C1CC1)Cc1ccccc1 ZINC000395701300 337226967 /nfs/dbraw/zinc/22/69/67/337226967.db2.gz LKJMVWLFZGPHGT-GOSISDBHSA-N 2 2 300.471 3.921 20 0 DHADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CCSCC1 ZINC000187071884 337261613 /nfs/dbraw/zinc/26/16/13/337261613.db2.gz VNQFROSQNKYZQE-CYBMUJFWSA-N 2 2 303.475 3.617 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)C3CC(C)(C)C3)sc2C1 ZINC000459730472 337275833 /nfs/dbraw/zinc/27/58/33/337275833.db2.gz KEJFCYIETKTMIL-UHFFFAOYSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)C3CC(C)(C)C3)sc2C1 ZINC000459730472 337275834 /nfs/dbraw/zinc/27/58/34/337275834.db2.gz KEJFCYIETKTMIL-UHFFFAOYSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)C3CC(C)(C)C3)sc2C1 ZINC000459730472 337275835 /nfs/dbraw/zinc/27/58/35/337275835.db2.gz KEJFCYIETKTMIL-UHFFFAOYSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)C3CC(C)(C)C3)sc2C1 ZINC000459730472 337275836 /nfs/dbraw/zinc/27/58/36/337275836.db2.gz KEJFCYIETKTMIL-UHFFFAOYSA-N 2 2 307.507 3.530 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000321632015 337279932 /nfs/dbraw/zinc/27/99/32/337279932.db2.gz VTWOPNYEEGISJG-KBXCAEBGSA-N 2 2 310.441 3.736 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000321632015 337279933 /nfs/dbraw/zinc/27/99/33/337279933.db2.gz VTWOPNYEEGISJG-KBXCAEBGSA-N 2 2 310.441 3.736 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000191896129 337300869 /nfs/dbraw/zinc/30/08/69/337300869.db2.gz JSEOOVXRTPULQL-MRXNPFEDSA-N 2 2 306.413 3.559 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000191896129 337300870 /nfs/dbraw/zinc/30/08/70/337300870.db2.gz JSEOOVXRTPULQL-MRXNPFEDSA-N 2 2 306.413 3.559 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000192135370 337303083 /nfs/dbraw/zinc/30/30/83/337303083.db2.gz SEUMHILRXFSEPK-MRXNPFEDSA-N 2 2 306.413 3.769 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000192135370 337303084 /nfs/dbraw/zinc/30/30/84/337303084.db2.gz SEUMHILRXFSEPK-MRXNPFEDSA-N 2 2 306.413 3.769 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000398111417 337306192 /nfs/dbraw/zinc/30/61/92/337306192.db2.gz DGTVLTHVIWPDTD-WMLDXEAASA-N 2 2 318.848 3.933 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000398111417 337306193 /nfs/dbraw/zinc/30/61/93/337306193.db2.gz DGTVLTHVIWPDTD-WMLDXEAASA-N 2 2 318.848 3.933 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000398111416 337306215 /nfs/dbraw/zinc/30/62/15/337306215.db2.gz DGTVLTHVIWPDTD-RHSMWYFYSA-N 2 2 318.848 3.933 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000398111416 337306216 /nfs/dbraw/zinc/30/62/16/337306216.db2.gz DGTVLTHVIWPDTD-RHSMWYFYSA-N 2 2 318.848 3.933 20 0 DHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130667468 337433858 /nfs/dbraw/zinc/43/38/58/337433858.db2.gz HVKOHUJJSPORQQ-IBGZPJMESA-N 2 2 321.424 3.553 20 0 DHADLP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000135902024 337453117 /nfs/dbraw/zinc/45/31/17/337453117.db2.gz MBKQPZOSMANLFH-QGZVFWFLSA-N 2 2 301.478 3.604 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)c[nH+]c12 ZINC000136741338 337454997 /nfs/dbraw/zinc/45/49/97/337454997.db2.gz ZEAJDQWFXPGPKC-MRXNPFEDSA-N 2 2 313.445 3.614 20 0 DHADLP Cc1cccc([C@H](C)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000162151057 337607848 /nfs/dbraw/zinc/60/78/48/337607848.db2.gz PKLGQRHKKXCZDO-GOSISDBHSA-N 2 2 323.484 3.748 20 0 DHADLP C[NH2+]C1CC[NH+](Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000261821229 337611188 /nfs/dbraw/zinc/61/11/88/337611188.db2.gz IJAZWCNOPZYKQV-UHFFFAOYSA-N 2 2 314.404 3.802 20 0 DHADLP c1ccc(Oc2cccc(C[NH+]3CCC4(CC[NH2+]4)CC3)c2)cc1 ZINC000422562070 337682801 /nfs/dbraw/zinc/68/28/01/337682801.db2.gz PFQHLSQUVWELPZ-UHFFFAOYSA-N 2 2 308.425 3.807 20 0 DHADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422626093 337683130 /nfs/dbraw/zinc/68/31/30/337683130.db2.gz DHXBFDLRQUOMJF-HNNXBMFYSA-N 2 2 323.278 3.728 20 0 DHADLP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422886956 337690123 /nfs/dbraw/zinc/69/01/23/337690123.db2.gz AFJHFAIXNCKFFW-RBSFLKMASA-N 2 2 307.507 3.667 20 0 DHADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422939440 337692480 /nfs/dbraw/zinc/69/24/80/337692480.db2.gz FPPBYMQHIGVDDT-CEXWTWQISA-N 2 2 308.425 3.807 20 0 DHADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000423113590 337700189 /nfs/dbraw/zinc/70/01/89/337700189.db2.gz UPCCAVCUDUFCQU-BXUZGUMPSA-N 2 2 302.796 3.539 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423187627 337702998 /nfs/dbraw/zinc/70/29/98/337702998.db2.gz KXYJFQUPDMATLO-APWZRJJASA-N 2 2 310.441 3.668 20 0 DHADLP Fc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423187726 337703005 /nfs/dbraw/zinc/70/30/05/337703005.db2.gz PHZPPJCXBMTDNA-SFHVURJKSA-N 2 2 318.823 3.910 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423212808 337704587 /nfs/dbraw/zinc/70/45/87/337704587.db2.gz KAYLEJIAYKZMCW-IUODEOHRSA-N 2 2 302.368 3.644 20 0 DHADLP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423234570 337706327 /nfs/dbraw/zinc/70/63/27/337706327.db2.gz LYZPCRPYWKRUMD-ZWNOBZJWSA-N 2 2 315.244 3.549 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)C2CCSCC2)cc1 ZINC000423238254 337706460 /nfs/dbraw/zinc/70/64/60/337706460.db2.gz IVTCHZFTVLXGSW-KBXCAEBGSA-N 2 2 306.519 3.931 20 0 DHADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423242008 337706713 /nfs/dbraw/zinc/70/67/13/337706713.db2.gz DTQAAJIOKIDKGE-SCLBCKFNSA-N 2 2 304.384 3.576 20 0 DHADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000423263525 337708003 /nfs/dbraw/zinc/70/80/03/337708003.db2.gz ORPKXJFDBSIIER-HIFRSBDPSA-N 2 2 303.475 3.834 20 0 DHADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423264494 337708143 /nfs/dbraw/zinc/70/81/43/337708143.db2.gz CCOQQLDLODPJCX-BXUZGUMPSA-N 2 2 307.438 3.583 20 0 DHADLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000423293563 337710506 /nfs/dbraw/zinc/71/05/06/337710506.db2.gz RSZSYZWIEQIACV-CVEARBPZSA-N 3 2 320.440 3.743 20 0 DHADLP Cc1cc([C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2Cl)ccc1F ZINC000423300122 337711086 /nfs/dbraw/zinc/71/10/86/337711086.db2.gz DLVQMFAWDYPIDE-GOSISDBHSA-N 2 2 318.823 3.686 20 0 DHADLP CCC[NH2+]CC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423309705 337711366 /nfs/dbraw/zinc/71/13/66/337711366.db2.gz LUZALUDIGXHLRE-SFHVURJKSA-N 2 2 317.864 3.608 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000423371604 337715155 /nfs/dbraw/zinc/71/51/55/337715155.db2.gz HQQRRNRHAYVHDQ-UTLUCORTSA-N 2 2 305.224 3.924 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC[NH2+]1 ZINC000423396395 337715397 /nfs/dbraw/zinc/71/53/97/337715397.db2.gz UCAMRJKPRVLCNX-ZTQAJYAQSA-N 2 2 321.424 3.647 20 0 DHADLP FC(F)[C@@H](CCc1ccccc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423402215 337715757 /nfs/dbraw/zinc/71/57/57/337715757.db2.gz WPQQQYNGVGSSRS-GOSISDBHSA-N 2 2 316.395 3.646 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423379177 337717572 /nfs/dbraw/zinc/71/75/72/337717572.db2.gz LUYGTQGSIRUQIS-GHMZBOCLSA-N 2 2 309.504 3.829 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F)[C@H](C)[NH3+] ZINC000423438730 337719267 /nfs/dbraw/zinc/71/92/67/337719267.db2.gz HFCZULXDRJLJJR-TUAOUCFPSA-N 2 2 308.372 3.828 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc(OC)cc1 ZINC000423447346 337719717 /nfs/dbraw/zinc/71/97/17/337719717.db2.gz ZODBOSSKCIIBLM-VQTJNVASSA-N 2 2 310.441 3.623 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cnc2ccsc2c1 ZINC000423534783 337724889 /nfs/dbraw/zinc/72/48/89/337724889.db2.gz WSASOJIRQFDKFP-QANKJYHBSA-N 2 2 323.465 3.703 20 0 DHADLP Cc1ccc([C@H](C[NH2+]Cc2ccnc(C)c2)[NH+]2CCCC2)cc1 ZINC000527650463 337756010 /nfs/dbraw/zinc/75/60/10/337756010.db2.gz PSALHPRMMNBELD-FQEVSTJZSA-N 2 2 309.457 3.625 20 0 DHADLP Cc1cc([C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C2CC2)ccc1F ZINC000537015655 337866117 /nfs/dbraw/zinc/86/61/17/337866117.db2.gz HJMLGEKWEFPWBR-QZTJIDSGSA-N 2 2 322.493 3.612 20 0 DHADLP CCC(CC)C[NH2+]C1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000537303790 337929840 /nfs/dbraw/zinc/92/98/40/337929840.db2.gz KNGIBTAHLZRCJO-UHFFFAOYSA-N 2 2 322.497 3.707 20 0 DHADLP C[N@H+](CCCc1ccncc1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426743857 338040391 /nfs/dbraw/zinc/04/03/91/338040391.db2.gz PLQAVOPOPLJLMG-UHFFFAOYSA-N 2 2 303.494 3.601 20 0 DHADLP C[N@@H+](CCCc1ccncc1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426743857 338040392 /nfs/dbraw/zinc/04/03/92/338040392.db2.gz PLQAVOPOPLJLMG-UHFFFAOYSA-N 2 2 303.494 3.601 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000428378911 338049732 /nfs/dbraw/zinc/04/97/32/338049732.db2.gz JHGGACXBNPQJKT-WBVHZDCISA-N 2 2 317.477 3.555 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000428378911 338049733 /nfs/dbraw/zinc/04/97/33/338049733.db2.gz JHGGACXBNPQJKT-WBVHZDCISA-N 2 2 317.477 3.555 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000428378911 338049734 /nfs/dbraw/zinc/04/97/34/338049734.db2.gz JHGGACXBNPQJKT-WBVHZDCISA-N 2 2 317.477 3.555 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000428378911 338049735 /nfs/dbraw/zinc/04/97/35/338049735.db2.gz JHGGACXBNPQJKT-WBVHZDCISA-N 2 2 317.477 3.555 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000429542368 338083363 /nfs/dbraw/zinc/08/33/63/338083363.db2.gz YAIMFDNQVDCMGJ-AWEZNQCLSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000429542368 338083364 /nfs/dbraw/zinc/08/33/64/338083364.db2.gz YAIMFDNQVDCMGJ-AWEZNQCLSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000429543702 338083624 /nfs/dbraw/zinc/08/36/24/338083624.db2.gz VMSJYKBGGVSSAQ-KRWDZBQOSA-N 2 2 315.486 3.726 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000429543702 338083625 /nfs/dbraw/zinc/08/36/25/338083625.db2.gz VMSJYKBGGVSSAQ-KRWDZBQOSA-N 2 2 315.486 3.726 20 0 DHADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429709597 338087939 /nfs/dbraw/zinc/08/79/39/338087939.db2.gz QWMSJVZZLWGREB-HXUWFJFHSA-N 2 2 316.489 3.542 20 0 DHADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429709597 338087940 /nfs/dbraw/zinc/08/79/40/338087940.db2.gz QWMSJVZZLWGREB-HXUWFJFHSA-N 2 2 316.489 3.542 20 0 DHADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429709597 338087941 /nfs/dbraw/zinc/08/79/41/338087941.db2.gz QWMSJVZZLWGREB-HXUWFJFHSA-N 2 2 316.489 3.542 20 0 DHADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429709597 338087942 /nfs/dbraw/zinc/08/79/42/338087942.db2.gz QWMSJVZZLWGREB-HXUWFJFHSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430554192 338108503 /nfs/dbraw/zinc/10/85/03/338108503.db2.gz PUJFSKALHQTENR-YNEHKIRRSA-N 2 2 322.403 3.552 20 0 DHADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430554192 338108504 /nfs/dbraw/zinc/10/85/04/338108504.db2.gz PUJFSKALHQTENR-YNEHKIRRSA-N 2 2 322.403 3.552 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000430768668 338114379 /nfs/dbraw/zinc/11/43/79/338114379.db2.gz PTOKXTUGRNMBHJ-NXHRZFHOSA-N 2 2 322.443 3.922 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000430768668 338114380 /nfs/dbraw/zinc/11/43/80/338114380.db2.gz PTOKXTUGRNMBHJ-NXHRZFHOSA-N 2 2 322.443 3.922 20 0 DHADLP CCC[N@H+](Cc1csc(-c2ccc(C)o2)n1)C1CC[NH2+]CC1 ZINC000431083685 338122051 /nfs/dbraw/zinc/12/20/51/338122051.db2.gz DCHWYQFDXMMYMO-UHFFFAOYSA-N 2 2 319.474 3.676 20 0 DHADLP CCC[N@@H+](Cc1csc(-c2ccc(C)o2)n1)C1CC[NH2+]CC1 ZINC000431083685 338122052 /nfs/dbraw/zinc/12/20/52/338122052.db2.gz DCHWYQFDXMMYMO-UHFFFAOYSA-N 2 2 319.474 3.676 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431147973 338124122 /nfs/dbraw/zinc/12/41/22/338124122.db2.gz VZMILBPVONOIDT-GXTWGEPZSA-N 2 2 304.340 3.574 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431147973 338124123 /nfs/dbraw/zinc/12/41/23/338124123.db2.gz VZMILBPVONOIDT-GXTWGEPZSA-N 2 2 304.340 3.574 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432231480 338149350 /nfs/dbraw/zinc/14/93/50/338149350.db2.gz HULHMYYAKRHNBD-NSHDSACASA-N 2 2 319.251 3.954 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432231480 338149351 /nfs/dbraw/zinc/14/93/51/338149351.db2.gz HULHMYYAKRHNBD-NSHDSACASA-N 2 2 319.251 3.954 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2nc3ccc(F)cc3s2)CC1 ZINC000432740934 338165493 /nfs/dbraw/zinc/16/54/93/338165493.db2.gz CQYMALZQZHTBON-UHFFFAOYSA-N 2 2 321.465 3.742 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2nc3ccc(F)cc3s2)CC1 ZINC000432740934 338165494 /nfs/dbraw/zinc/16/54/94/338165494.db2.gz CQYMALZQZHTBON-UHFFFAOYSA-N 2 2 321.465 3.742 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)[C@H](C)C1 ZINC000432752480 338166609 /nfs/dbraw/zinc/16/66/09/338166609.db2.gz MBBNJTOPJBGOHC-YPMHNXCESA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)[C@H](C)C1 ZINC000432752480 338166610 /nfs/dbraw/zinc/16/66/10/338166610.db2.gz MBBNJTOPJBGOHC-YPMHNXCESA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)[C@H](C)C1 ZINC000432752480 338166611 /nfs/dbraw/zinc/16/66/11/338166611.db2.gz MBBNJTOPJBGOHC-YPMHNXCESA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)[C@H](C)C1 ZINC000432752480 338166612 /nfs/dbraw/zinc/16/66/12/338166612.db2.gz MBBNJTOPJBGOHC-YPMHNXCESA-N 2 2 320.424 3.929 20 0 DHADLP COc1cccc([C@@H](C[NH2+]C2CC(C)(C)C2)[NH+]2CCCC2)c1 ZINC000433168647 338183820 /nfs/dbraw/zinc/18/38/20/338183820.db2.gz SSFHHFHHWBVNHI-GOSISDBHSA-N 2 2 302.462 3.610 20 0 DHADLP Cc1ccc(OCCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000434994321 338229434 /nfs/dbraw/zinc/22/94/34/338229434.db2.gz AYAPIOQLODYZPH-UHFFFAOYSA-N 2 2 313.445 3.675 20 0 DHADLP CC[N@H+](Cc1csc(-c2ccsc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435379422 338238418 /nfs/dbraw/zinc/23/84/18/338238418.db2.gz IXXPKFWDEBELQH-OAHLLOKOSA-N 2 2 321.515 3.836 20 0 DHADLP CC[N@@H+](Cc1csc(-c2ccsc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435379422 338238419 /nfs/dbraw/zinc/23/84/19/338238419.db2.gz IXXPKFWDEBELQH-OAHLLOKOSA-N 2 2 321.515 3.836 20 0 DHADLP C[C@@H](C[NH2+][C@H](Cc1ccccc1)C[NH+](C)C)c1ccc(F)cc1 ZINC000438082419 338330419 /nfs/dbraw/zinc/33/04/19/338330419.db2.gz UYYKYGAVISFWSQ-OXJNMPFZSA-N 2 2 314.448 3.692 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)s1 ZINC000156560102 338369093 /nfs/dbraw/zinc/36/90/93/338369093.db2.gz KMTISWSZHLCGOY-VWYCJHECSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)s1 ZINC000156560102 338369094 /nfs/dbraw/zinc/36/90/94/338369094.db2.gz KMTISWSZHLCGOY-VWYCJHECSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)s1 ZINC000156560223 338369110 /nfs/dbraw/zinc/36/91/10/338369110.db2.gz KMTISWSZHLCGOY-DCAQKATOSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)s1 ZINC000156560223 338369111 /nfs/dbraw/zinc/36/91/11/338369111.db2.gz KMTISWSZHLCGOY-DCAQKATOSA-N 2 2 317.296 3.644 20 0 DHADLP COc1cccc2c(N(C)C3CC[NH+](C(C)C)CC3)cc[nH+]c12 ZINC000440637256 338393633 /nfs/dbraw/zinc/39/36/33/338393633.db2.gz LRCVLSYDNWCWLQ-UHFFFAOYSA-N 2 2 313.445 3.552 20 0 DHADLP CC[C@H]1C[C@@H](C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000441357398 338410286 /nfs/dbraw/zinc/41/02/86/338410286.db2.gz SSHFXNFFDNENSB-OALUTQOASA-N 2 2 322.537 3.828 20 0 DHADLP C[C@H](C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000442777634 338430627 /nfs/dbraw/zinc/43/06/27/338430627.db2.gz JLMFUPQKITTZTK-INWMFGNUSA-N 2 2 314.395 3.881 20 0 DHADLP FC(F)C1CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000442784251 338430987 /nfs/dbraw/zinc/43/09/87/338430987.db2.gz STZSTOHKHNPURP-UHFFFAOYSA-N 2 2 305.372 3.786 20 0 DHADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000449078761 338591327 /nfs/dbraw/zinc/59/13/27/338591327.db2.gz YLDYJVBLCSOCBL-ZIFCJYIRSA-N 2 2 311.473 3.888 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000449152443 338597239 /nfs/dbraw/zinc/59/72/39/338597239.db2.gz FRCGOTOQCOKFPV-GOSISDBHSA-N 2 2 322.537 3.968 20 0 DHADLP Cc1ccccc1-c1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449258687 338607650 /nfs/dbraw/zinc/60/76/50/338607650.db2.gz OAGHFQQVHWCUIX-GOSISDBHSA-N 2 2 317.436 3.963 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000449572696 338638937 /nfs/dbraw/zinc/63/89/37/338638937.db2.gz NYJQKFYGKDKEOP-QWQRMKEZSA-N 2 2 321.428 3.734 20 0 DHADLP C[NH+](C)CC1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450262677 338673971 /nfs/dbraw/zinc/67/39/71/338673971.db2.gz UKNQDYVSESODNA-UHFFFAOYSA-N 2 2 321.827 3.805 20 0 DHADLP C[C@@H]1Cc2[nH+]cn(Cc3c[nH+]cn3Cc3ccccc3)c2C[C@H]1C ZINC000451346641 338730490 /nfs/dbraw/zinc/73/04/90/338730490.db2.gz ULNMAWXWUKUGCZ-HZPDHXFCSA-N 2 2 320.440 3.547 20 0 DHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)C2 ZINC000453086352 338792119 /nfs/dbraw/zinc/79/21/19/338792119.db2.gz LRSKJEFZCDEOBY-CRAIPNDOSA-N 2 2 301.478 3.664 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccncc1 ZINC000453095644 338793190 /nfs/dbraw/zinc/79/31/90/338793190.db2.gz WPXJQNRYWALFNH-HOTGVXAUSA-N 2 2 312.461 3.631 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000459297776 339019979 /nfs/dbraw/zinc/01/99/79/339019979.db2.gz SAXUWYILHXJQCD-UHFFFAOYSA-N 2 2 319.452 3.708 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000459297776 339019980 /nfs/dbraw/zinc/01/99/80/339019980.db2.gz SAXUWYILHXJQCD-UHFFFAOYSA-N 2 2 319.452 3.708 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000459422484 339028365 /nfs/dbraw/zinc/02/83/65/339028365.db2.gz ICTVYDDQTHSVFQ-KRWDZBQOSA-N 2 2 303.837 3.843 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000459422484 339028366 /nfs/dbraw/zinc/02/83/66/339028366.db2.gz ICTVYDDQTHSVFQ-KRWDZBQOSA-N 2 2 303.837 3.843 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1C ZINC000459660286 339041257 /nfs/dbraw/zinc/04/12/57/339041257.db2.gz DZVPQKPZOSZOJL-XLIONFOSSA-N 2 2 323.484 3.841 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1C ZINC000459660286 339041258 /nfs/dbraw/zinc/04/12/58/339041258.db2.gz DZVPQKPZOSZOJL-XLIONFOSSA-N 2 2 323.484 3.841 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000459665571 339041638 /nfs/dbraw/zinc/04/16/38/339041638.db2.gz QNLGGLPSIHWLSC-RDJZCZTQSA-N 2 2 303.837 3.542 20 0 DHADLP CCC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000459770080 339047419 /nfs/dbraw/zinc/04/74/19/339047419.db2.gz RSHWIZFVXAJONT-OAHLLOKOSA-N 2 2 306.416 3.962 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)c1cccc(OC)c1 ZINC000462679374 339083902 /nfs/dbraw/zinc/08/39/02/339083902.db2.gz ILMIPUXALUDPJK-SZVBFZGTSA-N 2 2 304.478 3.856 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@H](C)C1)c1cccc(OC)c1 ZINC000462679376 339083937 /nfs/dbraw/zinc/08/39/37/339083937.db2.gz ILMIPUXALUDPJK-VDZJLULYSA-N 2 2 304.478 3.856 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000462842778 339093884 /nfs/dbraw/zinc/09/38/84/339093884.db2.gz RQMGEJCQDIUIHP-DAYGRLMNSA-N 2 2 304.478 3.997 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000462842778 339093885 /nfs/dbraw/zinc/09/38/85/339093885.db2.gz RQMGEJCQDIUIHP-DAYGRLMNSA-N 2 2 304.478 3.997 20 0 DHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCC1CCOCC1 ZINC000463237091 339111003 /nfs/dbraw/zinc/11/10/03/339111003.db2.gz LXMBESARBWQDNB-UHFFFAOYSA-N 2 2 318.505 3.693 20 0 DHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCC1CCOCC1 ZINC000463237091 339111004 /nfs/dbraw/zinc/11/10/04/339111004.db2.gz LXMBESARBWQDNB-UHFFFAOYSA-N 2 2 318.505 3.693 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000466376342 339201414 /nfs/dbraw/zinc/20/14/14/339201414.db2.gz GYOVPHLUIWCGMP-UHFFFAOYSA-N 2 2 306.416 3.821 20 0 DHADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000466477443 339206693 /nfs/dbraw/zinc/20/66/93/339206693.db2.gz LWWGUKJVMRGAGC-VSBTWAGUSA-N 2 2 313.272 3.779 20 0 DHADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000466477443 339206694 /nfs/dbraw/zinc/20/66/94/339206694.db2.gz LWWGUKJVMRGAGC-VSBTWAGUSA-N 2 2 313.272 3.779 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311369 339231245 /nfs/dbraw/zinc/23/12/45/339231245.db2.gz PRUHLJGETIEGMP-CZUORRHYSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311369 339231246 /nfs/dbraw/zinc/23/12/46/339231246.db2.gz PRUHLJGETIEGMP-CZUORRHYSA-N 2 2 314.395 3.710 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000467311779 339231309 /nfs/dbraw/zinc/23/13/09/339231309.db2.gz WADNGVMHLLJHHA-RTBURBONSA-N 2 2 315.505 3.882 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467380861 339235592 /nfs/dbraw/zinc/23/55/92/339235592.db2.gz IFJQWOPHQCNEIY-GUDVDZBRSA-N 2 2 315.505 3.880 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467380861 339235593 /nfs/dbraw/zinc/23/55/93/339235593.db2.gz IFJQWOPHQCNEIY-GUDVDZBRSA-N 2 2 315.505 3.880 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000468050823 339252897 /nfs/dbraw/zinc/25/28/97/339252897.db2.gz NECUNTOGHJHIHX-GOSISDBHSA-N 2 2 318.436 3.646 20 0 DHADLP CCC[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000469988924 339307066 /nfs/dbraw/zinc/30/70/66/339307066.db2.gz BBCUHLQSNMQLSM-GFCCVEGCSA-N 2 2 318.795 3.515 20 0 DHADLP CCC[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000469988924 339307067 /nfs/dbraw/zinc/30/70/67/339307067.db2.gz BBCUHLQSNMQLSM-GFCCVEGCSA-N 2 2 318.795 3.515 20 0 DHADLP C[NH2+]C1CC[NH+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000469997318 339307743 /nfs/dbraw/zinc/30/77/43/339307743.db2.gz XUITVVNGFOADLF-UHFFFAOYSA-N 2 2 316.489 3.830 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC000470161493 339312150 /nfs/dbraw/zinc/31/21/50/339312150.db2.gz SHCRVWAGPFDWHT-YLJYHZDGSA-N 2 2 316.489 3.618 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC000470161493 339312151 /nfs/dbraw/zinc/31/21/51/339312151.db2.gz SHCRVWAGPFDWHT-YLJYHZDGSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[NH+]2CCCCC2)c2ccccn2)cc1 ZINC000471077464 339336348 /nfs/dbraw/zinc/33/63/48/339336348.db2.gz FEMSJFBIEGWUFF-NRFANRHFSA-N 2 2 323.484 3.945 20 0 DHADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471585734 339348263 /nfs/dbraw/zinc/34/82/63/339348263.db2.gz OBCPFXAXKICXOF-ZRCAFCQKSA-N 2 2 324.468 3.964 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000471596522 339348797 /nfs/dbraw/zinc/34/87/97/339348797.db2.gz YBQBKZWZIAHLPA-VKJFTORMSA-N 2 2 304.503 3.548 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000471596522 339348798 /nfs/dbraw/zinc/34/87/98/339348798.db2.gz YBQBKZWZIAHLPA-VKJFTORMSA-N 2 2 304.503 3.548 20 0 DHADLP Cc1ccc2[nH]c(C[NH2+]CCCNc3cccc[nH+]3)cc2c1C ZINC000472055102 339361251 /nfs/dbraw/zinc/36/12/51/339361251.db2.gz UXTPKVHVQVVJBM-UHFFFAOYSA-N 2 2 308.429 3.772 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000474025746 339397437 /nfs/dbraw/zinc/39/74/37/339397437.db2.gz WLMMWJJQUOBXBS-TYILLQQXSA-N 2 2 314.473 3.632 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000474025746 339397438 /nfs/dbraw/zinc/39/74/38/339397438.db2.gz WLMMWJJQUOBXBS-TYILLQQXSA-N 2 2 314.473 3.632 20 0 DHADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000474705628 339423019 /nfs/dbraw/zinc/42/30/19/339423019.db2.gz FEYVCRWCGULEFZ-NZSAHSFTSA-N 2 2 318.505 3.911 20 0 DHADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000474705630 339423039 /nfs/dbraw/zinc/42/30/39/339423039.db2.gz FEYVCRWCGULEFZ-YTQUADARSA-N 2 2 318.505 3.911 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1(C)CC1)c1cccc(OC)c1 ZINC000480391219 339571867 /nfs/dbraw/zinc/57/18/67/339571867.db2.gz VGQLVNSVWGXIEU-QAPCUYQASA-N 2 2 304.478 3.856 20 0 DHADLP CC[C@H]([NH2+]C[C@H](c1cccc(OC)c1)[NH+](CC)CC)C1CC1 ZINC000480393950 339572048 /nfs/dbraw/zinc/57/20/48/339572048.db2.gz GQCHQPGNXIDJPN-RBUKOAKNSA-N 2 2 304.478 3.856 20 0 DHADLP COC[C@H](CC(C)C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000482949948 339648020 /nfs/dbraw/zinc/64/80/20/339648020.db2.gz USAHGKIRMMYBSV-WMZOPIPTSA-N 2 2 306.494 3.767 20 0 DHADLP Cc1cc[nH+]c(N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)c1 ZINC000483534286 339668419 /nfs/dbraw/zinc/66/84/19/339668419.db2.gz CHDZOTOCTZYMKQ-IBGZPJMESA-N 2 2 307.441 3.590 20 0 DHADLP CCOc1c(Cl)cccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000486980126 339741276 /nfs/dbraw/zinc/74/12/76/339741276.db2.gz LKCDTWMUEPIYOV-UHFFFAOYSA-N 2 2 310.869 3.704 20 0 DHADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CS1 ZINC000488429701 339781809 /nfs/dbraw/zinc/78/18/09/339781809.db2.gz FDOOWVPOPQGWBW-QZTJIDSGSA-N 2 2 315.486 3.551 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cn1 ZINC000493126833 339917925 /nfs/dbraw/zinc/91/79/25/339917925.db2.gz HMMLDUXPROIGFV-KRWDZBQOSA-N 2 2 305.441 3.668 20 0 DHADLP CC(C)OC[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000501414367 340080309 /nfs/dbraw/zinc/08/03/09/340080309.db2.gz UURTXVLTTBXYOB-IRXDYDNUSA-N 2 2 324.534 3.924 20 0 DHADLP Cc1cc[nH+]cc1N1CC[NH+](CCSC2CCCCC2)CC1 ZINC000501927025 340090825 /nfs/dbraw/zinc/09/08/25/340090825.db2.gz JALDIBDEPBJABO-UHFFFAOYSA-N 2 2 319.518 3.578 20 0 DHADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000502265341 340098102 /nfs/dbraw/zinc/09/81/02/340098102.db2.gz ABISEWSPWLJLPM-GGPKGHCWSA-N 2 2 309.457 3.642 20 0 DHADLP c1ccc([C@H]2C[C@@H]2C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000503033658 340119203 /nfs/dbraw/zinc/11/92/03/340119203.db2.gz JAVNNTKMZLZQOY-IAGOWNOFSA-N 2 2 305.425 3.889 20 0 DHADLP CC(C)CCn1cccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506397452 340193962 /nfs/dbraw/zinc/19/39/62/340193962.db2.gz VDUVMMUVUVPRNN-UHFFFAOYSA-N 2 2 305.510 3.839 20 0 DHADLP CC(C)CCn1cccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506397452 340193963 /nfs/dbraw/zinc/19/39/63/340193963.db2.gz VDUVMMUVUVPRNN-UHFFFAOYSA-N 2 2 305.510 3.839 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000507505086 340223040 /nfs/dbraw/zinc/22/30/40/340223040.db2.gz DOYLLXVDNPVYSP-KRWDZBQOSA-N 2 2 311.473 3.817 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000507505086 340223041 /nfs/dbraw/zinc/22/30/41/340223041.db2.gz DOYLLXVDNPVYSP-KRWDZBQOSA-N 2 2 311.473 3.817 20 0 DHADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000508531858 340245936 /nfs/dbraw/zinc/24/59/36/340245936.db2.gz BEIQRYHVRFLBRP-GFCCVEGCSA-N 2 2 318.358 3.618 20 0 DHADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000508531858 340245937 /nfs/dbraw/zinc/24/59/37/340245937.db2.gz BEIQRYHVRFLBRP-GFCCVEGCSA-N 2 2 318.358 3.618 20 0 DHADLP C[NH+](Cc1cc(C(F)(F)F)ccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000508531858 340245938 /nfs/dbraw/zinc/24/59/38/340245938.db2.gz BEIQRYHVRFLBRP-GFCCVEGCSA-N 2 2 318.358 3.618 20 0 DHADLP C[NH+](Cc1cc(C(F)(F)F)ccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508531858 340245939 /nfs/dbraw/zinc/24/59/39/340245939.db2.gz BEIQRYHVRFLBRP-GFCCVEGCSA-N 2 2 318.358 3.618 20 0 DHADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCCCF ZINC000509141372 340262108 /nfs/dbraw/zinc/26/21/08/340262108.db2.gz UWKGGPACIPHUKW-SFHVURJKSA-N 2 2 306.469 3.799 20 0 DHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCCCF ZINC000509141372 340262109 /nfs/dbraw/zinc/26/21/09/340262109.db2.gz UWKGGPACIPHUKW-SFHVURJKSA-N 2 2 306.469 3.799 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000510330884 340296127 /nfs/dbraw/zinc/29/61/27/340296127.db2.gz HZHWXEJLALEUMM-OXJNMPFZSA-N 2 2 312.457 3.524 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000303026432 340296445 /nfs/dbraw/zinc/29/64/45/340296445.db2.gz YUTQYFWEEFZHSG-LJQANCHMSA-N 2 2 312.432 3.888 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000303026432 340296446 /nfs/dbraw/zinc/29/64/46/340296446.db2.gz YUTQYFWEEFZHSG-LJQANCHMSA-N 2 2 312.432 3.888 20 0 DHADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510671385 340305917 /nfs/dbraw/zinc/30/59/17/340305917.db2.gz ZRMBLXJPBWCVCC-CQSZACIVSA-N 2 2 316.411 3.956 20 0 DHADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510671385 340305918 /nfs/dbraw/zinc/30/59/18/340305918.db2.gz ZRMBLXJPBWCVCC-CQSZACIVSA-N 2 2 316.411 3.956 20 0 DHADLP COCC[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000510960638 340316385 /nfs/dbraw/zinc/31/63/85/340316385.db2.gz RRYAYOROKZCMHZ-RTBURBONSA-N 2 2 318.505 3.692 20 0 DHADLP COCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000510960638 340316386 /nfs/dbraw/zinc/31/63/86/340316386.db2.gz RRYAYOROKZCMHZ-RTBURBONSA-N 2 2 318.505 3.692 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccncc1F ZINC000511004786 340317946 /nfs/dbraw/zinc/31/79/46/340317946.db2.gz ZWLKACZDCRJUKY-DOXZYTNZSA-N 2 2 319.468 3.914 20 0 DHADLP Fc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512245258 340353911 /nfs/dbraw/zinc/35/39/11/340353911.db2.gz QZJWJRUDLNNXMO-NRFANRHFSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512245258 340353912 /nfs/dbraw/zinc/35/39/12/340353912.db2.gz QZJWJRUDLNNXMO-NRFANRHFSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000512245258 340353913 /nfs/dbraw/zinc/35/39/13/340353913.db2.gz QZJWJRUDLNNXMO-NRFANRHFSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000512245258 340353914 /nfs/dbraw/zinc/35/39/14/340353914.db2.gz QZJWJRUDLNNXMO-NRFANRHFSA-N 2 2 324.443 3.924 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000512403926 340360728 /nfs/dbraw/zinc/36/07/28/340360728.db2.gz CYHSZAZPOITJQZ-UHFFFAOYSA-N 2 2 324.468 3.936 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000512421179 340361301 /nfs/dbraw/zinc/36/13/01/340361301.db2.gz HMNACBRZQALLEQ-LJQANCHMSA-N 2 2 310.441 3.546 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000512421179 340361302 /nfs/dbraw/zinc/36/13/02/340361302.db2.gz HMNACBRZQALLEQ-LJQANCHMSA-N 2 2 310.441 3.546 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000512741100 340375359 /nfs/dbraw/zinc/37/53/59/340375359.db2.gz VAJYRJKDSOGENI-AZUAARDMSA-N 2 2 322.452 3.546 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000512741100 340375360 /nfs/dbraw/zinc/37/53/60/340375360.db2.gz VAJYRJKDSOGENI-AZUAARDMSA-N 2 2 322.452 3.546 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000513506258 340411283 /nfs/dbraw/zinc/41/12/83/340411283.db2.gz PHIPLNWGYZJVTL-QGZVFWFLSA-N 2 2 308.416 3.662 20 0 DHADLP COc1cccc([C@@H](C[NH2+][C@@H](C)C2CCC2)[NH+]2CCCC2)c1 ZINC000178186862 340447646 /nfs/dbraw/zinc/44/76/46/340447646.db2.gz IKKIMNRDUIBEEY-HNAYVOBHSA-N 2 2 302.462 3.610 20 0 DHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178257278 340448126 /nfs/dbraw/zinc/44/81/26/340448126.db2.gz ZLIFLJMSWALLFV-CYBMUJFWSA-N 2 2 322.880 3.874 20 0 DHADLP CC(C)COc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000516907580 340458457 /nfs/dbraw/zinc/45/84/57/340458457.db2.gz KNYHAKUYKAZKSP-UHFFFAOYSA-N 2 2 313.445 3.544 20 0 DHADLP CC(C)Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000517254171 340466780 /nfs/dbraw/zinc/46/67/80/340466780.db2.gz OGPFTBKHHSIFMY-DBVUQKKJSA-N 2 2 318.505 3.502 20 0 DHADLP C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185677335 340504174 /nfs/dbraw/zinc/50/41/74/340504174.db2.gz VKPNGQKUFRLWPE-IERDGZPVSA-N 2 2 322.452 3.743 20 0 DHADLP CCc1ccc(-c2ccc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)o2)cc1 ZINC000524773194 340680018 /nfs/dbraw/zinc/68/00/18/340680018.db2.gz CBHWYPYGZAKAQJ-HNNXBMFYSA-N 2 2 309.413 3.884 20 0 DHADLP Cc1cnccc1C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000528528549 340723314 /nfs/dbraw/zinc/72/33/14/340723314.db2.gz SKJKNEAJGBJABQ-UHFFFAOYSA-N 2 2 320.440 3.721 20 0 DHADLP CC[C@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000125019007 340801902 /nfs/dbraw/zinc/80/19/02/340801902.db2.gz HZQDYXOWHLYKCS-UFYCRDLUSA-N 2 2 316.489 3.537 20 0 DHADLP CCCC[C@H](CC)CC[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538851001 340857882 /nfs/dbraw/zinc/85/78/82/340857882.db2.gz ONRPXLSATSNKPR-SFHVURJKSA-N 3 2 323.569 3.741 20 0 DHADLP C[C@H](C[NH2+][C@H](c1cccs1)C1CCCC1)C[NH+]1CCOCC1 ZINC000540084737 340914675 /nfs/dbraw/zinc/91/46/75/340914675.db2.gz DKJOPGMSIDVEAV-QAPCUYQASA-N 2 2 322.518 3.537 20 0 DHADLP COc1ccccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070737310 341007962 /nfs/dbraw/zinc/00/79/62/341007962.db2.gz MOHOVFBKLRIZCP-UHFFFAOYSA-N 2 2 307.397 3.513 20 0 DHADLP COc1ccccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000070737310 341007963 /nfs/dbraw/zinc/00/79/63/341007963.db2.gz MOHOVFBKLRIZCP-UHFFFAOYSA-N 2 2 307.397 3.513 20 0 DHADLP Fc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccn2)cc1 ZINC000542476622 341009157 /nfs/dbraw/zinc/00/91/57/341009157.db2.gz AAAKTULFVGWFFD-IBGZPJMESA-N 2 2 324.403 3.577 20 0 DHADLP Cc1cccc(OCC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000542940259 341026879 /nfs/dbraw/zinc/02/68/79/341026879.db2.gz MNHKDUCGOPKVIP-KRWDZBQOSA-N 2 2 321.424 3.910 20 0 DHADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cc2ccccc2o1 ZINC000130687217 341039235 /nfs/dbraw/zinc/03/92/35/341039235.db2.gz KHFLHADAWMNHKX-AWEZNQCLSA-N 2 2 305.381 3.974 20 0 DHADLP FC1(F)CCC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000543414711 341043223 /nfs/dbraw/zinc/04/32/23/341043223.db2.gz LKNFIJLEPVRZCD-IRXDYDNUSA-N 2 2 308.416 3.819 20 0 DHADLP FC1(F)CCC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000543414711 341043224 /nfs/dbraw/zinc/04/32/24/341043224.db2.gz LKNFIJLEPVRZCD-IRXDYDNUSA-N 2 2 308.416 3.819 20 0 DHADLP CC(C)([C@H]([NH2+]CC1CC1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543446628 341045162 /nfs/dbraw/zinc/04/51/62/341045162.db2.gz ODWALXWWKOMBJF-QGZVFWFLSA-N 2 2 308.416 3.880 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CCC2)o1 ZINC000543606436 341051080 /nfs/dbraw/zinc/05/10/80/341051080.db2.gz LJXZJQPJFFXFOS-FCEWJHQRSA-N 2 2 320.477 3.518 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CCC2)o1 ZINC000543606436 341051081 /nfs/dbraw/zinc/05/10/81/341051081.db2.gz LJXZJQPJFFXFOS-FCEWJHQRSA-N 2 2 320.477 3.518 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000544608885 341088759 /nfs/dbraw/zinc/08/87/59/341088759.db2.gz HDBCSWJUFHICJJ-XVWMLYKFSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000544608885 341088760 /nfs/dbraw/zinc/08/87/60/341088760.db2.gz HDBCSWJUFHICJJ-XVWMLYKFSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000544608885 341088761 /nfs/dbraw/zinc/08/87/61/341088761.db2.gz HDBCSWJUFHICJJ-XVWMLYKFSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000544608885 341088762 /nfs/dbraw/zinc/08/87/62/341088762.db2.gz HDBCSWJUFHICJJ-XVWMLYKFSA-N 2 2 308.416 3.642 20 0 DHADLP Cc1cc(Br)cn2cc(CC[NH2+]CC(C)(C)C)[nH+]c12 ZINC000544710779 341091704 /nfs/dbraw/zinc/09/17/04/341091704.db2.gz PAONLEDWTZLZKR-UHFFFAOYSA-N 2 2 324.266 3.583 20 0 DHADLP CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544936618 341100374 /nfs/dbraw/zinc/10/03/74/341100374.db2.gz BVTSLAYWXGDRCR-JKSUJKDBSA-N 2 2 314.395 3.972 20 0 DHADLP CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000544936618 341100375 /nfs/dbraw/zinc/10/03/75/341100375.db2.gz BVTSLAYWXGDRCR-JKSUJKDBSA-N 2 2 314.395 3.972 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCc3ccccc32)[nH+]1 ZINC000132148845 341117391 /nfs/dbraw/zinc/11/73/91/341117391.db2.gz VCUVNTQOYKWXCL-FQEVSTJZSA-N 2 2 317.436 3.751 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000546873246 341184636 /nfs/dbraw/zinc/18/46/36/341184636.db2.gz RMQKBTDTKBXHQZ-FVQBIDKESA-N 2 2 314.395 3.970 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000546873246 341184637 /nfs/dbraw/zinc/18/46/37/341184637.db2.gz RMQKBTDTKBXHQZ-FVQBIDKESA-N 2 2 314.395 3.970 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+]Cc1cccc2c[nH]nc21)c1ccccc1 ZINC000236895991 341204080 /nfs/dbraw/zinc/20/40/80/341204080.db2.gz NZNPJKBPEWXDBY-LJQANCHMSA-N 2 2 322.456 3.736 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cccn2C)CCCC1)c1ccccc1 ZINC000237405090 341213528 /nfs/dbraw/zinc/21/35/28/341213528.db2.gz HIPGQFUZMANZCY-QGZVFWFLSA-N 2 2 311.473 3.778 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000077248775 341221649 /nfs/dbraw/zinc/22/16/49/341221649.db2.gz RAGIBBKIHRRAAM-UHFFFAOYSA-N 2 2 301.261 3.910 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000077248775 341221650 /nfs/dbraw/zinc/22/16/50/341221650.db2.gz RAGIBBKIHRRAAM-UHFFFAOYSA-N 2 2 301.261 3.910 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000547842855 341237093 /nfs/dbraw/zinc/23/70/93/341237093.db2.gz LRWUVNTWEJRBRN-AWEZNQCLSA-N 2 2 316.474 3.524 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000547842855 341237094 /nfs/dbraw/zinc/23/70/94/341237094.db2.gz LRWUVNTWEJRBRN-AWEZNQCLSA-N 2 2 316.474 3.524 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000548860003 341278511 /nfs/dbraw/zinc/27/85/11/341278511.db2.gz HLLXVMBNFQLZBX-DZGCQCFKSA-N 2 2 314.395 3.685 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000548860003 341278512 /nfs/dbraw/zinc/27/85/12/341278512.db2.gz HLLXVMBNFQLZBX-DZGCQCFKSA-N 2 2 314.395 3.685 20 0 DHADLP Cc1cccn2c(C[NH2+]CC3CC(c4ccccc4)C3)c[nH+]c12 ZINC000548984046 341282764 /nfs/dbraw/zinc/28/27/64/341282764.db2.gz JZAXWJVQUMLZRF-UHFFFAOYSA-N 2 2 305.425 3.926 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549840566 341304692 /nfs/dbraw/zinc/30/46/92/341304692.db2.gz KGZMRYWIXQTDGT-DYVFJYSZSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549840566 341304693 /nfs/dbraw/zinc/30/46/93/341304693.db2.gz KGZMRYWIXQTDGT-DYVFJYSZSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549840566 341304694 /nfs/dbraw/zinc/30/46/94/341304694.db2.gz KGZMRYWIXQTDGT-DYVFJYSZSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000549840566 341304695 /nfs/dbraw/zinc/30/46/95/341304695.db2.gz KGZMRYWIXQTDGT-DYVFJYSZSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000550275048 341314131 /nfs/dbraw/zinc/31/41/31/341314131.db2.gz OKTNYHNWNZSYTQ-YHYOWMERSA-N 2 2 313.272 3.637 20 0 DHADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000550275048 341314132 /nfs/dbraw/zinc/31/41/32/341314132.db2.gz OKTNYHNWNZSYTQ-YHYOWMERSA-N 2 2 313.272 3.637 20 0 DHADLP Fc1cccc(C=C2CC[NH+](CCC[NH+]3CCCC3)CC2)c1 ZINC000550653583 341320621 /nfs/dbraw/zinc/32/06/21/341320621.db2.gz DNDCAGBQDVFZCM-UHFFFAOYSA-N 2 2 302.437 3.791 20 0 DHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000246033388 341322462 /nfs/dbraw/zinc/32/24/62/341322462.db2.gz WHQYVULBFBHAIX-WIYYLYMNSA-N 2 2 323.484 3.881 20 0 DHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000246033388 341322463 /nfs/dbraw/zinc/32/24/63/341322463.db2.gz WHQYVULBFBHAIX-WIYYLYMNSA-N 2 2 323.484 3.881 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000551029479 341329488 /nfs/dbraw/zinc/32/94/88/341329488.db2.gz GJTZKMIFBWVTAP-IEBWSBKVSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000551029479 341329489 /nfs/dbraw/zinc/32/94/89/341329489.db2.gz GJTZKMIFBWVTAP-IEBWSBKVSA-N 2 2 316.395 3.890 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1COc2ccccc2C1)c1ccccc1 ZINC000551050383 341330295 /nfs/dbraw/zinc/33/02/95/341330295.db2.gz HBHZCKZEQCYOFH-QFBILLFUSA-N 2 2 324.468 3.709 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H]2CCOC[C@H]2C)[NH+](CC)CC)cc1 ZINC000551228583 341334607 /nfs/dbraw/zinc/33/46/07/341334607.db2.gz JBZSNZOMPVZWTI-UXPWSPDFSA-N 2 2 318.505 3.647 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551520351 341343668 /nfs/dbraw/zinc/34/36/68/341343668.db2.gz MUXOIIHJQBSGEJ-WFASDCNBSA-N 2 2 312.910 3.797 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551520351 341343669 /nfs/dbraw/zinc/34/36/69/341343669.db2.gz MUXOIIHJQBSGEJ-WFASDCNBSA-N 2 2 312.910 3.797 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000551534185 341344561 /nfs/dbraw/zinc/34/45/61/341344561.db2.gz UBWYGNLJGQINSK-RFGKEDTNSA-N 2 2 316.489 3.506 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000551534185 341344562 /nfs/dbraw/zinc/34/45/62/341344562.db2.gz UBWYGNLJGQINSK-RFGKEDTNSA-N 2 2 316.489 3.506 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000551581704 341346312 /nfs/dbraw/zinc/34/63/12/341346312.db2.gz MSXSWLUTTJYRQH-QWHCGFSZSA-N 2 2 312.910 3.939 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)s2)C[N@H+]1C1CC1 ZINC000551581704 341346313 /nfs/dbraw/zinc/34/63/13/341346313.db2.gz MSXSWLUTTJYRQH-QWHCGFSZSA-N 2 2 312.910 3.939 20 0 DHADLP COc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000246484887 341350477 /nfs/dbraw/zinc/35/04/77/341350477.db2.gz RLLWBMULFFIMNN-HGHGUNKESA-N 2 2 324.468 3.857 20 0 DHADLP COc1ccccc1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000246484887 341350478 /nfs/dbraw/zinc/35/04/78/341350478.db2.gz RLLWBMULFFIMNN-HGHGUNKESA-N 2 2 324.468 3.857 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246675151 341355445 /nfs/dbraw/zinc/35/54/45/341355445.db2.gz JORJSKPOZXQKDA-MAUKXSAKSA-N 2 2 316.489 3.729 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000246675151 341355446 /nfs/dbraw/zinc/35/54/46/341355446.db2.gz JORJSKPOZXQKDA-MAUKXSAKSA-N 2 2 316.489 3.729 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000246675151 341355447 /nfs/dbraw/zinc/35/54/47/341355447.db2.gz JORJSKPOZXQKDA-MAUKXSAKSA-N 2 2 316.489 3.729 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000246675151 341355448 /nfs/dbraw/zinc/35/54/48/341355448.db2.gz JORJSKPOZXQKDA-MAUKXSAKSA-N 2 2 316.489 3.729 20 0 DHADLP C[NH+](C)CC1(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCCC1 ZINC000552067991 341367137 /nfs/dbraw/zinc/36/71/37/341367137.db2.gz DFKILUVOZZVFCB-KRWDZBQOSA-N 2 2 318.509 3.743 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000248065430 341372815 /nfs/dbraw/zinc/37/28/15/341372815.db2.gz ZKLCMNCFHXPDPT-RBSFLKMASA-N 2 2 317.502 3.862 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000248065430 341372816 /nfs/dbraw/zinc/37/28/16/341372816.db2.gz ZKLCMNCFHXPDPT-RBSFLKMASA-N 2 2 317.502 3.862 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248643879 341382615 /nfs/dbraw/zinc/38/26/15/341382615.db2.gz PKXOEURMSMAQCM-JTDSTZFVSA-N 2 2 300.446 3.882 20 0 DHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1ccncc1 ZINC000248976729 341391091 /nfs/dbraw/zinc/39/10/91/341391091.db2.gz HWNIRUQCMUVDJU-XLIONFOSSA-N 2 2 311.473 3.889 20 0 DHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1ccncc1 ZINC000248976729 341391092 /nfs/dbraw/zinc/39/10/92/341391092.db2.gz HWNIRUQCMUVDJU-XLIONFOSSA-N 2 2 311.473 3.889 20 0 DHADLP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000249265421 341395557 /nfs/dbraw/zinc/39/55/57/341395557.db2.gz IRKYBQURFHMDRO-HZPDHXFCSA-N 2 2 314.395 3.829 20 0 DHADLP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000249265421 341395558 /nfs/dbraw/zinc/39/55/58/341395558.db2.gz IRKYBQURFHMDRO-HZPDHXFCSA-N 2 2 314.395 3.829 20 0 DHADLP CC(C)Cc1ccc([C@@H](C[NH2+][C@H]2CCSC2)[NH+](C)C)cc1 ZINC000554140731 341445494 /nfs/dbraw/zinc/44/54/94/341445494.db2.gz JEPQHXJHZOLSGF-ZWKOTPCHSA-N 2 2 306.519 3.583 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)s1 ZINC000152828928 341507543 /nfs/dbraw/zinc/50/75/43/341507543.db2.gz NYOKYGCIQOAJAA-CYBMUJFWSA-N 2 2 303.475 3.737 20 0 DHADLP Fc1cccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000152859449 341508939 /nfs/dbraw/zinc/50/89/39/341508939.db2.gz SFWVIINLAOHDDY-UHFFFAOYSA-N 2 2 307.372 3.790 20 0 DHADLP CC[C@H](COC)[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000153429472 341539660 /nfs/dbraw/zinc/53/96/60/341539660.db2.gz UUQQBKSANPPWED-CVEARBPZSA-N 2 2 310.507 3.536 20 0 DHADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156133935 341617362 /nfs/dbraw/zinc/61/73/62/341617362.db2.gz CFTQSGHPBAQCCS-INIZCTEOSA-N 2 2 309.388 3.912 20 0 DHADLP COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000572986976 341712320 /nfs/dbraw/zinc/71/23/20/341712320.db2.gz ZXBPDBUJSPETJA-QGZVFWFLSA-N 2 2 301.434 3.614 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)c1cccc(OC)c1 ZINC000574594636 341763287 /nfs/dbraw/zinc/76/32/87/341763287.db2.gz ZFNYYIWLRKJOGF-HSALFYBXSA-N 2 2 316.489 3.856 20 0 DHADLP Brc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265449715 518210575 /nfs/dbraw/zinc/21/05/75/518210575.db2.gz BXAMSAOPVLJLCL-UHFFFAOYSA-N 2 2 320.234 3.552 20 0 DHADLP CC[NH+](CC)CCC[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000338291725 520621842 /nfs/dbraw/zinc/62/18/42/520621842.db2.gz PSHXDNGNCBFCHR-UHFFFAOYSA-N 2 2 323.428 3.719 20 0 DHADLP CC[NH+](CC)Cc1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000190385729 520752607 /nfs/dbraw/zinc/75/26/07/520752607.db2.gz PXKGLVYIGIYUHY-UHFFFAOYSA-N 2 2 308.429 3.788 20 0 DHADLP CC1CCC([NH+]2CCC([N@H+](C)Cc3ccc(F)cn3)CC2)CC1 ZINC000364993795 520941382 /nfs/dbraw/zinc/94/13/82/520941382.db2.gz LAEGNJDKWIEPKZ-UHFFFAOYSA-N 2 2 319.468 3.696 20 0 DHADLP CC1CCC([NH+]2CCC([N@@H+](C)Cc3ccc(F)cn3)CC2)CC1 ZINC000364993795 520941387 /nfs/dbraw/zinc/94/13/87/520941387.db2.gz LAEGNJDKWIEPKZ-UHFFFAOYSA-N 2 2 319.468 3.696 20 0 DHADLP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162260591 521067031 /nfs/dbraw/zinc/06/70/31/521067031.db2.gz VVYHLZKZXKJUTJ-LPHOPBHVSA-N 2 2 303.494 3.850 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000268751855 521583151 /nfs/dbraw/zinc/58/31/51/521583151.db2.gz XQCSWFLIAWYQFZ-CQSZACIVSA-N 2 2 315.486 3.945 20 0 DHADLP CCOC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000188694586 521625991 /nfs/dbraw/zinc/62/59/91/521625991.db2.gz PJWGQIDRPAVHDI-UHFFFAOYSA-N 2 2 324.896 3.709 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000266866757 521719395 /nfs/dbraw/zinc/71/93/95/521719395.db2.gz NBJIBANTWIQWJG-KXBFYZLASA-N 2 2 313.445 3.504 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000266866757 521719396 /nfs/dbraw/zinc/71/93/96/521719396.db2.gz NBJIBANTWIQWJG-KXBFYZLASA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000266866757 521719397 /nfs/dbraw/zinc/71/93/97/521719397.db2.gz NBJIBANTWIQWJG-KXBFYZLASA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000266866757 521719399 /nfs/dbraw/zinc/71/93/99/521719399.db2.gz NBJIBANTWIQWJG-KXBFYZLASA-N 2 2 313.445 3.504 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+]Cc3cncs3)ccc2n1C1CC1 ZINC000338436843 522484493 /nfs/dbraw/zinc/48/44/93/522484493.db2.gz IORUXPQMPOPGQE-UHFFFAOYSA-N 2 2 312.442 3.680 20 0 DHADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc2cc(OC)ccc2c1 ZINC000155683179 522606645 /nfs/dbraw/zinc/60/66/45/522606645.db2.gz GIKHIAQSKFVLKB-IBGZPJMESA-N 2 2 309.413 3.786 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1ccco1 ZINC000156629138 522730647 /nfs/dbraw/zinc/73/06/47/522730647.db2.gz XBVPYMHPKOUBDQ-SZMVWBNQSA-N 2 2 320.477 3.600 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccco1 ZINC000156705348 522731313 /nfs/dbraw/zinc/73/13/13/522731313.db2.gz JEYHKMONEBDINH-RYQLBKOJSA-N 2 2 320.477 3.600 20 0 DHADLP COCC1(CC[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000339444304 522867668 /nfs/dbraw/zinc/86/76/68/522867668.db2.gz GZHBXSHLKRHLGD-IEBWSBKVSA-N 2 2 316.489 3.618 20 0 DHADLP COCC1(CC[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000339444304 522867676 /nfs/dbraw/zinc/86/76/76/522867676.db2.gz GZHBXSHLKRHLGD-IEBWSBKVSA-N 2 2 316.489 3.618 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(F)cc1 ZINC000126463835 522873171 /nfs/dbraw/zinc/87/31/71/522873171.db2.gz LINABSJWJAVMGC-GOSISDBHSA-N 2 2 324.403 3.956 20 0 DHADLP C[N@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000364861064 523628851 /nfs/dbraw/zinc/62/88/51/523628851.db2.gz PACUWLTVCNAWFF-IBGZPJMESA-N 2 2 315.505 3.599 20 0 DHADLP C[N@@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000364861064 523628862 /nfs/dbraw/zinc/62/88/62/523628862.db2.gz PACUWLTVCNAWFF-IBGZPJMESA-N 2 2 315.505 3.599 20 0 DHADLP CCc1cc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nc(C)[nH+]1 ZINC000266063754 523793423 /nfs/dbraw/zinc/79/34/23/523793423.db2.gz ZRYTZPUVIZYRMV-UHFFFAOYSA-N 2 2 321.428 3.608 20 0 DHADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000337357384 523834982 /nfs/dbraw/zinc/83/49/82/523834982.db2.gz BCRNLRINGONGGZ-KXBFYZLASA-N 2 2 313.445 3.537 20 0 DHADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000337357384 523834990 /nfs/dbraw/zinc/83/49/90/523834990.db2.gz BCRNLRINGONGGZ-KXBFYZLASA-N 2 2 313.445 3.537 20 0 DHADLP C[C@H]1CC[N@H+](CCSC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000337296908 524289283 /nfs/dbraw/zinc/28/92/83/524289283.db2.gz JXDMRCFMHXPOMS-RDJZCZTQSA-N 2 2 307.507 3.832 20 0 DHADLP C[C@H]1CC[N@@H+](CCSC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000337296908 524289290 /nfs/dbraw/zinc/28/92/90/524289290.db2.gz JXDMRCFMHXPOMS-RDJZCZTQSA-N 2 2 307.507 3.832 20 0 DHADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)Cc1ccccc1 ZINC000187224000 524482394 /nfs/dbraw/zinc/48/23/94/524482394.db2.gz RVIUADHQROVLAW-SFHVURJKSA-N 2 2 323.484 3.514 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000158812734 525311204 /nfs/dbraw/zinc/31/12/04/525311204.db2.gz GGZYMLRYTLNKAT-INIZCTEOSA-N 2 2 309.457 3.569 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000158812734 525311211 /nfs/dbraw/zinc/31/12/11/525311211.db2.gz GGZYMLRYTLNKAT-INIZCTEOSA-N 2 2 309.457 3.569 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(SCC(F)F)cc1 ZINC000154519219 525413433 /nfs/dbraw/zinc/41/34/33/525413433.db2.gz OHVKKNPOMKCRJA-GXTWGEPZSA-N 2 2 314.445 3.789 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(SCC(F)F)cc1 ZINC000154519219 525413443 /nfs/dbraw/zinc/41/34/43/525413443.db2.gz OHVKKNPOMKCRJA-GXTWGEPZSA-N 2 2 314.445 3.789 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000130156624 525621077 /nfs/dbraw/zinc/62/10/77/525621077.db2.gz STAAGUMGELCJTA-MELADBBJSA-N 2 2 323.278 3.727 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000130156624 525621081 /nfs/dbraw/zinc/62/10/81/525621081.db2.gz STAAGUMGELCJTA-MELADBBJSA-N 2 2 323.278 3.727 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000130526763 525630925 /nfs/dbraw/zinc/63/09/25/525630925.db2.gz MFCLGCGRQDZFSF-LIRRHRJNSA-N 2 2 319.408 3.916 20 0 DHADLP Cc1ccc(-c2cnc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)o2)cc1 ZINC000266713971 525771071 /nfs/dbraw/zinc/77/10/71/525771071.db2.gz FSLIXOCPTKHKRQ-DOTOQJQBSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cnc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)o2)cc1 ZINC000266713971 525771077 /nfs/dbraw/zinc/77/10/77/525771077.db2.gz FSLIXOCPTKHKRQ-DOTOQJQBSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cnc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000266713971 525771086 /nfs/dbraw/zinc/77/10/86/525771086.db2.gz FSLIXOCPTKHKRQ-DOTOQJQBSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cnc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000266713971 525771093 /nfs/dbraw/zinc/77/10/93/525771093.db2.gz FSLIXOCPTKHKRQ-DOTOQJQBSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000189890279 525782297 /nfs/dbraw/zinc/78/22/97/525782297.db2.gz KWWNCUPOMSBMHC-JXFKEZNVSA-N 2 2 321.424 3.565 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1C ZINC000363832115 525930937 /nfs/dbraw/zinc/93/09/37/525930937.db2.gz UOCZFOAIHXWDRI-INIZCTEOSA-N 2 2 306.413 3.735 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106162942 526031674 /nfs/dbraw/zinc/03/16/74/526031674.db2.gz QYIWPXRTUNMEAW-ZDUSSCGKSA-N 2 2 319.399 3.714 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266716958 526066805 /nfs/dbraw/zinc/06/68/05/526066805.db2.gz GQXXYWCFTOWCRY-GFCCVEGCSA-N 2 2 321.371 3.952 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267425557 526184681 /nfs/dbraw/zinc/18/46/81/526184681.db2.gz LKIVJMLQXNFXIW-OLZOCXBDSA-N 2 2 302.422 3.636 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267425557 526184684 /nfs/dbraw/zinc/18/46/84/526184684.db2.gz LKIVJMLQXNFXIW-OLZOCXBDSA-N 2 2 302.422 3.636 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+]Cc1c(F)cccc1Br ZINC000354547196 526227229 /nfs/dbraw/zinc/22/72/29/526227229.db2.gz SLGLWCUTJQGAPK-UHFFFAOYSA-N 2 2 323.209 3.624 20 0 DHADLP c1ccc2c(c1)OC1(CCCCC1)C[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000338205686 526510311 /nfs/dbraw/zinc/51/03/11/526510311.db2.gz IVAWIDZDMDKBAW-GOSISDBHSA-N 2 2 314.473 3.899 20 0 DHADLP c1cn(-c2csc(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC000339514715 526527821 /nfs/dbraw/zinc/52/78/21/526527821.db2.gz USUBIFLTWUFEGS-MAUKXSAKSA-N 2 2 309.438 3.827 20 0 DHADLP c1csc(-c2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)no2)c1 ZINC000267458945 526571338 /nfs/dbraw/zinc/57/13/38/526571338.db2.gz ULSLMNGNHNGGTG-LBPRGKRZSA-N 2 2 314.414 3.506 20 0 DHADLP c1csc(-c2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)no2)c1 ZINC000267458945 526571341 /nfs/dbraw/zinc/57/13/41/526571341.db2.gz ULSLMNGNHNGGTG-LBPRGKRZSA-N 2 2 314.414 3.506 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000040592913 536465760 /nfs/dbraw/zinc/46/57/60/536465760.db2.gz ZEPVGAFWWSAZKZ-NWDGAFQWSA-N 2 2 301.261 3.986 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000040592913 536465763 /nfs/dbraw/zinc/46/57/63/536465763.db2.gz ZEPVGAFWWSAZKZ-NWDGAFQWSA-N 2 2 301.261 3.986 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000363822812 526964321 /nfs/dbraw/zinc/96/43/21/526964321.db2.gz LXSFUXMAUROWFO-KRWDZBQOSA-N 2 2 324.815 3.698 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000129660461 527677037 /nfs/dbraw/zinc/67/70/37/527677037.db2.gz FUZMRYUEKKNHMK-ZIAGYGMSSA-N 2 2 315.383 3.984 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000129660685 527677576 /nfs/dbraw/zinc/67/75/76/527677576.db2.gz FUZMRYUEKKNHMK-KGLIPLIRSA-N 2 2 315.383 3.984 20 0 DHADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000129660015 527678640 /nfs/dbraw/zinc/67/86/40/527678640.db2.gz FUZMRYUEKKNHMK-UONOGXRCSA-N 2 2 315.383 3.984 20 0 DHADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000130150669 527678821 /nfs/dbraw/zinc/67/88/21/527678821.db2.gz SDKOAGNMJSKOEO-QWHCGFSZSA-N 2 2 301.356 3.594 20 0 DHADLP FC(F)(F)c1cccc(C2([NH2+]CCn3cc[nH+]c3)CCC2)c1 ZINC000179997453 527685160 /nfs/dbraw/zinc/68/51/60/527685160.db2.gz DPKSAZBNWMWNHY-UHFFFAOYSA-N 2 2 309.335 3.571 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000182217985 527697870 /nfs/dbraw/zinc/69/78/70/527697870.db2.gz KKWFICGNQWAIAY-OAHLLOKOSA-N 2 2 323.412 3.865 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285124211 535584646 /nfs/dbraw/zinc/58/46/46/535584646.db2.gz SBTLFXRYSUQDCZ-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285124211 535584653 /nfs/dbraw/zinc/58/46/53/535584653.db2.gz SBTLFXRYSUQDCZ-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP Cc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc(C2CC2)[nH+]1 ZINC001165046996 721976564 /nfs/dbraw/zinc/97/65/64/721976564.db2.gz DBRADHFVPYSPOU-QGZVFWFLSA-N 2 2 314.477 3.507 20 0 DHADLP Cc1ccc(Cl)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206811389 1013080564 /nfs/dbraw/zinc/08/05/64/1013080564.db2.gz SXMNDKHECDJJRF-VXGBXAGGSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Cl ZINC001206811389 1013080579 /nfs/dbraw/zinc/08/05/79/1013080579.db2.gz SXMNDKHECDJJRF-VXGBXAGGSA-N 2 2 301.261 3.861 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OC(C)C)CC1 ZINC000109787842 1013330954 /nfs/dbraw/zinc/33/09/54/1013330954.db2.gz CNUXHKJPTMXNEG-UHFFFAOYSA-N 2 2 304.478 3.780 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OC(C)C)CC1 ZINC000109787842 1013330959 /nfs/dbraw/zinc/33/09/59/1013330959.db2.gz CNUXHKJPTMXNEG-UHFFFAOYSA-N 2 2 304.478 3.780 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000894478952 1013383956 /nfs/dbraw/zinc/38/39/56/1013383956.db2.gz GRVMXPMMVHIARD-UHFFFAOYSA-N 2 2 321.852 3.717 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000894478952 1013383949 /nfs/dbraw/zinc/38/39/49/1013383949.db2.gz GRVMXPMMVHIARD-UHFFFAOYSA-N 2 2 321.852 3.717 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000317246142 1013759670 /nfs/dbraw/zinc/75/96/70/1013759670.db2.gz MXCBYKIZCLAUAI-BBRMVZONSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000317246142 1013759672 /nfs/dbraw/zinc/75/96/72/1013759672.db2.gz MXCBYKIZCLAUAI-BBRMVZONSA-N 2 2 302.393 3.658 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000655848460 1013774155 /nfs/dbraw/zinc/77/41/55/1013774155.db2.gz FNOAMQLWYCGMER-GSEOLPGOSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000655848460 1013774161 /nfs/dbraw/zinc/77/41/61/1013774161.db2.gz FNOAMQLWYCGMER-GSEOLPGOSA-N 2 2 313.489 3.714 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1OC(F)F ZINC000655848344 1013774329 /nfs/dbraw/zinc/77/43/29/1013774329.db2.gz HUEGTAFZNJAAPR-CWRNSKLLSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1OC(F)F ZINC000655848344 1013774335 /nfs/dbraw/zinc/77/43/35/1013774335.db2.gz HUEGTAFZNJAAPR-CWRNSKLLSA-N 2 2 324.415 3.956 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000034996186 1013780654 /nfs/dbraw/zinc/78/06/54/1013780654.db2.gz QCHYSUIXTJTKTH-LBPRGKRZSA-N 2 2 311.267 3.584 20 0 DHADLP COC1(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)CCC1 ZINC000340442504 1013797289 /nfs/dbraw/zinc/79/72/89/1013797289.db2.gz XOXZIYPZZJSDNT-MJGOQNOKSA-N 2 2 316.489 3.588 20 0 DHADLP COC1(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)CCC1 ZINC000340442504 1013797293 /nfs/dbraw/zinc/79/72/93/1013797293.db2.gz XOXZIYPZZJSDNT-MJGOQNOKSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCn1cc[nH+]c1 ZINC000340468020 1013833295 /nfs/dbraw/zinc/83/32/95/1013833295.db2.gz DFXJLKKAENGKTR-HNNXBMFYSA-N 2 2 310.445 3.710 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCc2occc21)c1ccccc1 ZINC000683690594 1013859529 /nfs/dbraw/zinc/85/95/29/1013859529.db2.gz LUYHPZXGQMZMFA-ROUUACIJSA-N 2 2 321.424 3.964 20 0 DHADLP Cc1cc(C[N@@H+]2CC[NH2+][C@H](C)CC2)ccc1Oc1ccccc1 ZINC001210517980 1013904110 /nfs/dbraw/zinc/90/41/10/1013904110.db2.gz CITWGZXVWGSWKD-QGZVFWFLSA-N 2 2 310.441 3.971 20 0 DHADLP Cc1cc(C[N@H+]2CC[NH2+][C@H](C)CC2)ccc1Oc1ccccc1 ZINC001210517980 1013904113 /nfs/dbraw/zinc/90/41/13/1013904113.db2.gz CITWGZXVWGSWKD-QGZVFWFLSA-N 2 2 310.441 3.971 20 0 DHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000155712682 1014100183 /nfs/dbraw/zinc/10/01/83/1014100183.db2.gz HSGAHQWBJSXTIL-KRWDZBQOSA-N 2 2 311.454 3.827 20 0 DHADLP CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361765188 1032089774 /nfs/dbraw/zinc/08/97/74/1032089774.db2.gz JYVLMZPXPNDBQJ-MRXNPFEDSA-N 2 2 320.440 3.989 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)C)C1)c1ccccc1 ZINC000320423651 1014347233 /nfs/dbraw/zinc/34/72/33/1014347233.db2.gz JZSHBGZRIRUYBV-AQNXPRMDSA-N 2 2 318.505 3.863 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(F)c(F)c2)c2cccc[nH+]2)CC1 ZINC000895111143 1014438827 /nfs/dbraw/zinc/43/88/27/1014438827.db2.gz NMQLECCDBJDSCM-SHTZXODSSA-N 2 2 317.383 3.636 20 0 DHADLP C[C@H](C1CC(F)(F)C1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112768 1014444741 /nfs/dbraw/zinc/44/47/41/1014444741.db2.gz DULZDQQPSCIQOO-BPLDGKMQSA-N 2 2 309.404 3.592 20 0 DHADLP CO[C@@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895116830 1014449949 /nfs/dbraw/zinc/44/99/49/1014449949.db2.gz URQVPRQSFQJMCJ-BRSBDYLESA-N 2 2 317.477 3.506 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1Cl ZINC000427844126 1014536924 /nfs/dbraw/zinc/53/69/24/1014536924.db2.gz NMIPMAYXKBUATG-ZYHUDNBSSA-N 2 2 310.228 3.856 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2)o1 ZINC000427888189 1014546776 /nfs/dbraw/zinc/54/67/76/1014546776.db2.gz VZDPKTHXRTWNQC-HOCLYGCPSA-N 2 2 307.397 3.809 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1OC(F)F ZINC000427887153 1014546842 /nfs/dbraw/zinc/54/68/42/1014546842.db2.gz ANNMJOLIRPDVLG-OCCSQVGLSA-N 2 2 321.371 3.540 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427884058 1014547817 /nfs/dbraw/zinc/54/78/17/1014547817.db2.gz RZWHVEQUGAZUJD-PZJWPPBQSA-N 2 2 317.436 3.886 20 0 DHADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000427881809 1014547998 /nfs/dbraw/zinc/54/79/98/1014547998.db2.gz JRJLLJPNSRVHLU-DNVCBOLYSA-N 2 2 309.413 3.931 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000427887951 1014548203 /nfs/dbraw/zinc/54/82/03/1014548203.db2.gz VFXFFSLEBBKTDJ-JSGCOSHPSA-N 2 2 319.861 3.678 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccs1 ZINC000665250492 1014559956 /nfs/dbraw/zinc/55/99/56/1014559956.db2.gz SOPHTGHNMUDCNO-IXDOHACOSA-N 2 2 300.471 3.935 20 0 DHADLP CCc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000428233166 1014593376 /nfs/dbraw/zinc/59/33/76/1014593376.db2.gz QVLZHTIDRWPWFQ-DOTOQJQBSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000428233166 1014593379 /nfs/dbraw/zinc/59/33/79/1014593379.db2.gz QVLZHTIDRWPWFQ-DOTOQJQBSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1nc(C)c(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000428233166 1014593388 /nfs/dbraw/zinc/59/33/88/1014593388.db2.gz QVLZHTIDRWPWFQ-DOTOQJQBSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1nc(C)c(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000428233166 1014593394 /nfs/dbraw/zinc/59/33/94/1014593394.db2.gz QVLZHTIDRWPWFQ-DOTOQJQBSA-N 2 2 319.493 3.632 20 0 DHADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(-c2ccc(F)cc2)s1 ZINC000665277256 1014651091 /nfs/dbraw/zinc/65/10/91/1014651091.db2.gz XTPAUDRBMMDLIK-WHENESEISA-N 2 2 316.445 3.957 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+]CC34CC(C3)C[NH2+]4)cs2)cs1 ZINC000665278150 1014651852 /nfs/dbraw/zinc/65/18/52/1014651852.db2.gz WFISVALSWVTRSW-LWOUBBNUSA-N 2 2 319.499 3.583 20 0 DHADLP CC(C)[C@H]([NH3+])CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000665282175 1014672751 /nfs/dbraw/zinc/67/27/51/1014672751.db2.gz SGZFXKXKNMHKOV-QGZVFWFLSA-N 3 2 311.558 3.629 20 0 DHADLP C[NH2+]C[C@H](C)[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000665298175 1014749777 /nfs/dbraw/zinc/74/97/77/1014749777.db2.gz TUJRVEOPXBHREY-SWLSCSKDSA-N 2 2 308.878 3.883 20 0 DHADLP Cc1cc(F)cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001143590555 1014932590 /nfs/dbraw/zinc/93/25/90/1014932590.db2.gz YNULYYDVTAEXFE-WOJBJXKFSA-N 2 2 324.443 3.698 20 0 DHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC(C)C)cc1 ZINC000341150850 1014934418 /nfs/dbraw/zinc/93/44/18/1014934418.db2.gz YLLAKRUGNRCCPK-UHFFFAOYSA-N 2 2 315.461 3.830 20 0 DHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC(C)C)cc1 ZINC000341150850 1014934436 /nfs/dbraw/zinc/93/44/36/1014934436.db2.gz YLLAKRUGNRCCPK-UHFFFAOYSA-N 2 2 315.461 3.830 20 0 DHADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931355740 1032105942 /nfs/dbraw/zinc/10/59/42/1032105942.db2.gz VPBXRCQNNOTUII-UHFFFAOYSA-N 2 2 313.445 3.566 20 0 DHADLP FC(F)(F)c1c[nH+]ccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895347348 1015073176 /nfs/dbraw/zinc/07/31/76/1015073176.db2.gz VTPZFTBFSVKJQR-UHFFFAOYSA-N 2 2 322.334 3.576 20 0 DHADLP Cc1[nH+]ccc(N2CCC(Nc3cccc[nH+]3)CC2)c1Cl ZINC000895355333 1015088734 /nfs/dbraw/zinc/08/87/34/1015088734.db2.gz XUAGKHBTCJAEGM-UHFFFAOYSA-N 2 2 302.809 3.519 20 0 DHADLP Cc1ncc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)s1 ZINC000090400752 1015112707 /nfs/dbraw/zinc/11/27/07/1015112707.db2.gz ZIKIKIPZGABFGF-AWEZNQCLSA-N 2 2 303.475 3.624 20 0 DHADLP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)s1 ZINC000090400752 1015112712 /nfs/dbraw/zinc/11/27/12/1015112712.db2.gz ZIKIKIPZGABFGF-AWEZNQCLSA-N 2 2 303.475 3.624 20 0 DHADLP CSc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000581726481 1015277103 /nfs/dbraw/zinc/27/71/03/1015277103.db2.gz OUTMAQKUDPVNGT-WMLDXEAASA-N 2 2 313.470 3.587 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474483702 1015395315 /nfs/dbraw/zinc/39/53/15/1015395315.db2.gz BRSBAOIVDNFUSY-ZOBORPQBSA-N 2 2 312.910 3.967 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474483702 1015395325 /nfs/dbraw/zinc/39/53/25/1015395325.db2.gz BRSBAOIVDNFUSY-ZOBORPQBSA-N 2 2 312.910 3.967 20 0 DHADLP C[NH+](C)Cc1cc(NCc2cccc3[nH+]ccn32)ccc1Cl ZINC000341512666 1015429791 /nfs/dbraw/zinc/42/97/91/1015429791.db2.gz PHXXZIPPQGEJOC-UHFFFAOYSA-N 2 2 314.820 3.661 20 0 DHADLP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)c1ccccc1 ZINC000341511515 1015429988 /nfs/dbraw/zinc/42/99/88/1015429988.db2.gz RFSZXTXQYWNAIE-GOSISDBHSA-N 2 2 324.472 4.157 20 0 DHADLP C[C@H](Cc1ccsc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896195422 1015496876 /nfs/dbraw/zinc/49/68/76/1015496876.db2.gz JDKFKNKZBPOTSY-CQSZACIVSA-N 2 2 301.459 3.651 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000655690866 1015733074 /nfs/dbraw/zinc/73/30/74/1015733074.db2.gz PSLLCVCYGIGXEO-QFBILLFUSA-N 2 2 324.468 3.744 20 0 DHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000262348487 1015799517 /nfs/dbraw/zinc/79/95/17/1015799517.db2.gz UZKNQMOWOMCCHE-KBAYOESNSA-N 2 2 304.478 3.521 20 0 DHADLP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCC2 ZINC000281067620 1015824924 /nfs/dbraw/zinc/82/49/24/1015824924.db2.gz SPAVWTWNUUMGKY-IBGZPJMESA-N 2 2 319.408 3.745 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000277048146 1015858044 /nfs/dbraw/zinc/85/80/44/1015858044.db2.gz CFQVNUCXWBSZAA-AWEZNQCLSA-N 2 2 300.368 3.622 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000277048146 1015858047 /nfs/dbraw/zinc/85/80/47/1015858047.db2.gz CFQVNUCXWBSZAA-AWEZNQCLSA-N 2 2 300.368 3.622 20 0 DHADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)c1ccc(OC)cc1 ZINC000150961748 1016000608 /nfs/dbraw/zinc/00/06/08/1016000608.db2.gz XFHCBUOVEGVKSV-FUHWJXTLSA-N 2 2 313.445 3.646 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)C2 ZINC000150975863 1016004026 /nfs/dbraw/zinc/00/40/26/1016004026.db2.gz WBAAKBMGSYTLOD-WCQYABFASA-N 2 2 307.800 3.650 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000151012790 1016011497 /nfs/dbraw/zinc/01/14/97/1016011497.db2.gz YPBWYUBHTFSZHE-DOTOQJQBSA-N 2 2 323.440 3.542 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ccc(OC(C)C)cc1)C2 ZINC000151020057 1016012353 /nfs/dbraw/zinc/01/23/53/1016012353.db2.gz DGEWJXBQHXBSSY-WBVHZDCISA-N 2 2 313.445 3.644 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000151365728 1016037459 /nfs/dbraw/zinc/03/74/59/1016037459.db2.gz HKBUYIRJRLZLLS-OAHLLOKOSA-N 2 2 309.413 3.938 20 0 DHADLP Cc1cccc2[nH]c(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc21 ZINC000657311033 1016283767 /nfs/dbraw/zinc/28/37/67/1016283767.db2.gz WBKFNZVKQDZDPI-UHFFFAOYSA-N 2 2 320.440 3.630 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1F ZINC000152089909 1016335232 /nfs/dbraw/zinc/33/52/32/1016335232.db2.gz VQDPDGOEZBNPGW-OAHLLOKOSA-N 2 2 309.388 3.921 20 0 DHADLP c1c2ccncc2sc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000657345492 1016389990 /nfs/dbraw/zinc/38/99/90/1016389990.db2.gz RBPSIPFOPYKJKW-UHFFFAOYSA-N 2 2 312.442 3.673 20 0 DHADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C[C@@H]12 ZINC000346862021 1016604579 /nfs/dbraw/zinc/60/45/79/1016604579.db2.gz WIKWGZKIMZRDRZ-MRCXROJRSA-N 2 2 318.770 3.528 20 0 DHADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C[C@@H]12 ZINC000346862021 1016604585 /nfs/dbraw/zinc/60/45/85/1016604585.db2.gz WIKWGZKIMZRDRZ-MRCXROJRSA-N 2 2 318.770 3.528 20 0 DHADLP Cc1ccc(OCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000342595166 1016832372 /nfs/dbraw/zinc/83/23/72/1016832372.db2.gz HGQITCGOXOHANZ-UHFFFAOYSA-N 2 2 313.445 3.675 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(Cl)ccc1O ZINC000185325342 1016860212 /nfs/dbraw/zinc/86/02/12/1016860212.db2.gz PKRYLNGNUSEGMA-ZDUSSCGKSA-N 2 2 319.836 3.984 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000342613728 1016860364 /nfs/dbraw/zinc/86/03/64/1016860364.db2.gz JAGDOYVKWALKNF-UHFFFAOYSA-N 2 2 319.399 3.915 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000671295966 1016868965 /nfs/dbraw/zinc/86/89/65/1016868965.db2.gz SGJJWAIVGVJFPZ-WQVCFCJDSA-N 2 2 314.395 3.881 20 0 DHADLP FC(F)(F)c1sccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000623371818 1017003546 /nfs/dbraw/zinc/00/35/46/1017003546.db2.gz UNEAUFXUVUUAAX-UHFFFAOYSA-N 2 2 303.353 3.533 20 0 DHADLP C[C@H]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000152798484 1017013572 /nfs/dbraw/zinc/01/35/72/1017013572.db2.gz ANIQDUWIMPLKRJ-KXBFYZLASA-N 2 2 309.457 3.990 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1cccs1 ZINC000152827941 1017024151 /nfs/dbraw/zinc/02/41/51/1017024151.db2.gz QKBKFGMBFKUHNJ-OAHLLOKOSA-N 2 2 315.486 3.501 20 0 DHADLP c1c(CC[NH2+][C@@H]2CCCCc3ccccc32)[nH+]c2n1CCCC2 ZINC000152806207 1017026920 /nfs/dbraw/zinc/02/69/20/1017026920.db2.gz SDLRHULFXFYQRV-LJQANCHMSA-N 2 2 309.457 3.819 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000537589283 1032175357 /nfs/dbraw/zinc/17/53/57/1032175357.db2.gz INPWFZQAEDWOBG-AWEZNQCLSA-N 2 2 322.412 3.860 20 0 DHADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000361972673 1032177762 /nfs/dbraw/zinc/17/77/62/1032177762.db2.gz SHXYJNWOSCDMHO-HOTGVXAUSA-N 2 2 312.910 3.818 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)c(Cl)cc2F)CC1(C)C ZINC000623510262 1017074293 /nfs/dbraw/zinc/07/42/93/1017074293.db2.gz PJZQASXDJAKLMO-LLVKDONJSA-N 2 2 302.796 3.581 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)c(Cl)cc2F)CC1(C)C ZINC000623510262 1017074303 /nfs/dbraw/zinc/07/43/03/1017074303.db2.gz PJZQASXDJAKLMO-LLVKDONJSA-N 2 2 302.796 3.581 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000475198141 1017075465 /nfs/dbraw/zinc/07/54/65/1017075465.db2.gz WCBPHBSKQYMZIY-JTDSTZFVSA-N 2 2 316.489 3.794 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000475198141 1017075476 /nfs/dbraw/zinc/07/54/76/1017075476.db2.gz WCBPHBSKQYMZIY-JTDSTZFVSA-N 2 2 316.489 3.794 20 0 DHADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246905816 1032268654 /nfs/dbraw/zinc/26/86/54/1032268654.db2.gz AADQQZKQSBWAGJ-XJKSGUPXSA-N 2 2 312.910 3.895 20 0 DHADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246905816 1032268668 /nfs/dbraw/zinc/26/86/68/1032268668.db2.gz AADQQZKQSBWAGJ-XJKSGUPXSA-N 2 2 312.910 3.895 20 0 DHADLP COc1ccccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119326851 1032280404 /nfs/dbraw/zinc/28/04/04/1032280404.db2.gz HFEXPRLRGNNVAJ-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP COc1ccccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119326851 1032280419 /nfs/dbraw/zinc/28/04/19/1032280419.db2.gz HFEXPRLRGNNVAJ-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCC2CC2)C[C@H]1C ZINC000537616641 1032289054 /nfs/dbraw/zinc/28/90/54/1032289054.db2.gz UMDPWVYEXHOCGH-VQIMIIECSA-N 2 2 316.489 3.780 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCC2CC2)C[C@H]1C ZINC000537616641 1032289057 /nfs/dbraw/zinc/28/90/57/1032289057.db2.gz UMDPWVYEXHOCGH-VQIMIIECSA-N 2 2 316.489 3.780 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OCC2CC2)C[C@H]1C ZINC000537616641 1032289059 /nfs/dbraw/zinc/28/90/59/1032289059.db2.gz UMDPWVYEXHOCGH-VQIMIIECSA-N 2 2 316.489 3.780 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC2CC2)C[C@H]1C ZINC000537616641 1032289063 /nfs/dbraw/zinc/28/90/63/1032289063.db2.gz UMDPWVYEXHOCGH-VQIMIIECSA-N 2 2 316.489 3.780 20 0 DHADLP Cn1c[nH+]cc1-c1cccc(-n2c(CC[NH3+])cc3ccccc32)c1 ZINC001171303902 1032310063 /nfs/dbraw/zinc/31/00/63/1032310063.db2.gz HIDHNEQHBQCDAI-UHFFFAOYSA-N 2 2 316.408 3.532 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccn1 ZINC000152364267 1032333537 /nfs/dbraw/zinc/33/35/37/1032333537.db2.gz VXYJHQZFMBGECL-RYRKJORJSA-N 2 2 301.478 3.775 20 0 DHADLP Cn1cc[nH+]c1CC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168341747 1032414434 /nfs/dbraw/zinc/41/44/34/1032414434.db2.gz QYYPKUSETOVSAS-UHFFFAOYSA-N 2 2 317.864 3.932 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000237446604 1017089198 /nfs/dbraw/zinc/08/91/98/1017089198.db2.gz WUXDHCJESLXHMS-CQSZACIVSA-N 2 2 304.409 3.824 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(-c2cccnc2)c1 ZINC000091892511 1032463301 /nfs/dbraw/zinc/46/33/01/1032463301.db2.gz CTSDSPOUBIPTTD-RTWAWAEBSA-N 2 2 321.468 3.807 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(-c2cccnc2)c1 ZINC000091892511 1032463306 /nfs/dbraw/zinc/46/33/06/1032463306.db2.gz CTSDSPOUBIPTTD-RTWAWAEBSA-N 2 2 321.468 3.807 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2cccnc2)c1 ZINC000091892511 1032463313 /nfs/dbraw/zinc/46/33/13/1032463313.db2.gz CTSDSPOUBIPTTD-RTWAWAEBSA-N 2 2 321.468 3.807 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2cccnc2)c1 ZINC000091892511 1032463321 /nfs/dbraw/zinc/46/33/21/1032463321.db2.gz CTSDSPOUBIPTTD-RTWAWAEBSA-N 2 2 321.468 3.807 20 0 DHADLP Clc1ccsc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348191403 1032495415 /nfs/dbraw/zinc/49/54/15/1032495415.db2.gz FWTROUSARGMMMA-UHFFFAOYSA-N 2 2 317.845 3.936 20 0 DHADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@H](C)Cc1ccsc1 ZINC000348189611 1032495776 /nfs/dbraw/zinc/49/57/76/1032495776.db2.gz XCTHHQGOWIJVOS-CYBMUJFWSA-N 2 2 323.531 3.719 20 0 DHADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@H](C)Cc1ccsc1 ZINC000348189611 1032495800 /nfs/dbraw/zinc/49/58/00/1032495800.db2.gz XCTHHQGOWIJVOS-CYBMUJFWSA-N 2 2 323.531 3.719 20 0 DHADLP CCCCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648750 1032506771 /nfs/dbraw/zinc/50/67/71/1032506771.db2.gz IELMKUVXWPSCLH-UHFFFAOYSA-N 2 2 313.445 3.899 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1nc2c(s1)CCCC2 ZINC000093370205 1032531755 /nfs/dbraw/zinc/53/17/55/1032531755.db2.gz NKOYJNOFIIRDAC-CABCVRRESA-N 2 2 321.534 3.937 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1nc2c(s1)CCCC2 ZINC000093370205 1032531760 /nfs/dbraw/zinc/53/17/60/1032531760.db2.gz NKOYJNOFIIRDAC-CABCVRRESA-N 2 2 321.534 3.937 20 0 DHADLP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564126 1032545532 /nfs/dbraw/zinc/54/55/32/1032545532.db2.gz OLZCCSSEMJWUMA-INIZCTEOSA-N 2 2 319.518 3.861 20 0 DHADLP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564126 1032545540 /nfs/dbraw/zinc/54/55/40/1032545540.db2.gz OLZCCSSEMJWUMA-INIZCTEOSA-N 2 2 319.518 3.861 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(CC(C)C)s2)C1 ZINC000093753247 1032554285 /nfs/dbraw/zinc/55/42/85/1032554285.db2.gz DITMLONDTLMOFY-HNNXBMFYSA-N 2 2 309.523 3.505 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(CC(C)C)s2)C1 ZINC000093753247 1032554288 /nfs/dbraw/zinc/55/42/88/1032554288.db2.gz DITMLONDTLMOFY-HNNXBMFYSA-N 2 2 309.523 3.505 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000093753247 1032554289 /nfs/dbraw/zinc/55/42/89/1032554289.db2.gz DITMLONDTLMOFY-HNNXBMFYSA-N 2 2 309.523 3.505 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000093753247 1032554291 /nfs/dbraw/zinc/55/42/91/1032554291.db2.gz DITMLONDTLMOFY-HNNXBMFYSA-N 2 2 309.523 3.505 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccccn1 ZINC000152408136 1032589735 /nfs/dbraw/zinc/58/97/35/1032589735.db2.gz SLFLUBCLGIGBCP-TXPKVOOTSA-N 2 2 301.478 3.775 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccccn1 ZINC000152407952 1032591112 /nfs/dbraw/zinc/59/11/12/1032591112.db2.gz SLFLUBCLGIGBCP-BXWFABGCSA-N 2 2 301.478 3.775 20 0 DHADLP C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000684957459 1017100083 /nfs/dbraw/zinc/10/00/83/1017100083.db2.gz KJLJRTICMHISIX-KXBFYZLASA-N 2 2 318.424 3.996 20 0 DHADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000424368883 1012014880 /nfs/dbraw/zinc/01/48/80/1012014880.db2.gz ASFCIHAUIKVWGC-QQXKLLMISA-N 2 2 302.437 3.524 20 0 DHADLP CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000035223585 1012169888 /nfs/dbraw/zinc/16/98/88/1012169888.db2.gz NILRTXRCFHJBGI-UHFFFAOYSA-N 2 2 320.811 3.763 20 0 DHADLP CC(C)C[C@@H](C)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000281903449 1012360128 /nfs/dbraw/zinc/36/01/28/1012360128.db2.gz FXFSDZFHAMBUKW-GOSISDBHSA-N 2 2 317.521 3.703 20 0 DHADLP CC(C)C[C@@H](C)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000281903449 1012360143 /nfs/dbraw/zinc/36/01/43/1012360143.db2.gz FXFSDZFHAMBUKW-GOSISDBHSA-N 2 2 317.521 3.703 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3s2)CC1 ZINC000020553273 1032697017 /nfs/dbraw/zinc/69/70/17/1032697017.db2.gz IKUAGQHRDQDSFX-ZDUSSCGKSA-N 2 2 303.475 3.820 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1F ZINC000125117724 1032699994 /nfs/dbraw/zinc/69/99/94/1032699994.db2.gz JGDICBKNVYLWPA-AWEZNQCLSA-N 2 2 309.816 3.880 20 0 DHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180918893 1017518528 /nfs/dbraw/zinc/51/85/28/1017518528.db2.gz NUJUSMVRJGJJGD-HNNXBMFYSA-N 2 2 300.402 3.503 20 0 DHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180918893 1017518540 /nfs/dbraw/zinc/51/85/40/1017518540.db2.gz NUJUSMVRJGJJGD-HNNXBMFYSA-N 2 2 300.402 3.503 20 0 DHADLP Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCn1cc[nH+]c1 ZINC000623851547 1017541813 /nfs/dbraw/zinc/54/18/13/1017541813.db2.gz AZJNHROEQFKUIQ-MRXNPFEDSA-N 2 2 314.820 3.685 20 0 DHADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657617081 1017580540 /nfs/dbraw/zinc/58/05/40/1017580540.db2.gz VYTZTCQWRBISPX-MGPUTAFESA-N 2 2 303.409 3.690 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857901897 1032709960 /nfs/dbraw/zinc/70/99/60/1032709960.db2.gz NTQQARGFBTVZRP-UONOGXRCSA-N 2 2 318.852 3.623 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCc2scnc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000623957818 1017606787 /nfs/dbraw/zinc/60/67/87/1017606787.db2.gz WIHPMAGIRPADIX-OFQRWUPVSA-N 2 2 319.518 3.763 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCc2scnc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000623957818 1017606790 /nfs/dbraw/zinc/60/67/90/1017606790.db2.gz WIHPMAGIRPADIX-OFQRWUPVSA-N 2 2 319.518 3.763 20 0 DHADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCCO1 ZINC000623990647 1017623116 /nfs/dbraw/zinc/62/31/16/1017623116.db2.gz IKVOZYISSVBPMP-GUYCJALGSA-N 2 2 319.836 3.573 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(C)ccc1C ZINC000624014780 1017637847 /nfs/dbraw/zinc/63/78/47/1017637847.db2.gz HGCRXQRKSVLACV-QUCCMNQESA-N 2 2 316.489 3.597 20 0 DHADLP CCC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCOCC1 ZINC001203407538 1017747528 /nfs/dbraw/zinc/74/75/28/1017747528.db2.gz BCFMTCTWBCNMAZ-GOSISDBHSA-N 2 2 308.510 3.580 20 0 DHADLP CCC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCOCC1 ZINC001203407538 1017747537 /nfs/dbraw/zinc/74/75/37/1017747537.db2.gz BCFMTCTWBCNMAZ-GOSISDBHSA-N 2 2 308.510 3.580 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)CCC2 ZINC000367178940 1017748040 /nfs/dbraw/zinc/74/80/40/1017748040.db2.gz CRMYCAGRYFNSCJ-WNHJNPCNSA-N 2 2 309.457 3.851 20 0 DHADLP CCO[C@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C12CCCC2 ZINC000181672831 1017786826 /nfs/dbraw/zinc/78/68/26/1017786826.db2.gz VONXLMAPVYDVNJ-IRXDYDNUSA-N 2 2 317.477 3.601 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000183032073 1017985822 /nfs/dbraw/zinc/98/58/22/1017985822.db2.gz DJRZFDWLJYZQPH-DVOMOZLQSA-N 2 2 318.852 3.666 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000183032073 1017985829 /nfs/dbraw/zinc/98/58/29/1017985829.db2.gz DJRZFDWLJYZQPH-DVOMOZLQSA-N 2 2 318.852 3.666 20 0 DHADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1nc2c(s1)CCCC2 ZINC000184498244 1018085614 /nfs/dbraw/zinc/08/56/14/1018085614.db2.gz UZFVQHHRKJHKRC-LSDHHAIUSA-N 2 2 321.534 3.937 20 0 DHADLP Cn1c2ccccc2[nH+]c1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000427513274 1018222979 /nfs/dbraw/zinc/22/29/79/1018222979.db2.gz FCQFBOVABVRLTE-SFHVURJKSA-N 2 2 320.440 3.822 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000446757363 1018244577 /nfs/dbraw/zinc/24/45/77/1018244577.db2.gz SRSIRFQWXMCWJQ-RHSMWYFYSA-N 2 2 320.502 3.696 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000446757363 1018244583 /nfs/dbraw/zinc/24/45/83/1018244583.db2.gz SRSIRFQWXMCWJQ-RHSMWYFYSA-N 2 2 320.502 3.696 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000446757367 1018245460 /nfs/dbraw/zinc/24/54/60/1018245460.db2.gz SRSIRFQWXMCWJQ-YOEHRIQHSA-N 2 2 320.502 3.696 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000446757367 1018245471 /nfs/dbraw/zinc/24/54/71/1018245471.db2.gz SRSIRFQWXMCWJQ-YOEHRIQHSA-N 2 2 320.502 3.696 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459764403 1018291296 /nfs/dbraw/zinc/29/12/96/1018291296.db2.gz ZMPYIWNHCJDEAY-LJQANCHMSA-N 2 2 309.457 3.970 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459764403 1018291304 /nfs/dbraw/zinc/29/13/04/1018291304.db2.gz ZMPYIWNHCJDEAY-LJQANCHMSA-N 2 2 309.457 3.970 20 0 DHADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+](CCC(C)C)CC2)o1 ZINC000926476451 1018296470 /nfs/dbraw/zinc/29/64/70/1018296470.db2.gz LZOSNMVVYASLHB-UHFFFAOYSA-N 2 2 307.482 3.536 20 0 DHADLP C[C@@H](CC1CCCCC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000447060652 1018323508 /nfs/dbraw/zinc/32/35/08/1018323508.db2.gz PQZLDCDQSVEKQN-INIZCTEOSA-N 2 2 301.478 3.999 20 0 DHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(Cl)c1 ZINC000447311902 1018369022 /nfs/dbraw/zinc/36/90/22/1018369022.db2.gz DLLYWYBEVZOYNM-MRXNPFEDSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(Cl)c1 ZINC000447311902 1018369030 /nfs/dbraw/zinc/36/90/30/1018369030.db2.gz DLLYWYBEVZOYNM-MRXNPFEDSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(Cl)c1 ZINC000447311902 1018369041 /nfs/dbraw/zinc/36/90/41/1018369041.db2.gz DLLYWYBEVZOYNM-MRXNPFEDSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(Cl)c1 ZINC000447311902 1018369059 /nfs/dbraw/zinc/36/90/59/1018369059.db2.gz DLLYWYBEVZOYNM-MRXNPFEDSA-N 2 2 306.881 3.812 20 0 DHADLP COCCC1(C[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)CCCCC1 ZINC000447904891 1018497867 /nfs/dbraw/zinc/49/78/67/1018497867.db2.gz RWWLORXOTAFLLT-KRWDZBQOSA-N 2 2 310.526 3.683 20 0 DHADLP COCCC1(C[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)CCCCC1 ZINC000447904891 1018497871 /nfs/dbraw/zinc/49/78/71/1018497871.db2.gz RWWLORXOTAFLLT-KRWDZBQOSA-N 2 2 310.526 3.683 20 0 DHADLP COCCC1(C[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)CCCCC1 ZINC000447904892 1018498343 /nfs/dbraw/zinc/49/83/43/1018498343.db2.gz RWWLORXOTAFLLT-QGZVFWFLSA-N 2 2 310.526 3.683 20 0 DHADLP COCCC1(C[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)CCCCC1 ZINC000447904892 1018498350 /nfs/dbraw/zinc/49/83/50/1018498350.db2.gz RWWLORXOTAFLLT-QGZVFWFLSA-N 2 2 310.526 3.683 20 0 DHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447932143 1018505919 /nfs/dbraw/zinc/50/59/19/1018505919.db2.gz RDLISXDMCRPRTA-AWEZNQCLSA-N 2 2 309.523 3.651 20 0 DHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447932143 1018505924 /nfs/dbraw/zinc/50/59/24/1018505924.db2.gz RDLISXDMCRPRTA-AWEZNQCLSA-N 2 2 309.523 3.651 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000675739063 1018567999 /nfs/dbraw/zinc/56/79/99/1018567999.db2.gz BJSXOZZYSOMTAB-FXAWDEMLSA-N 2 2 309.457 3.990 20 0 DHADLP C[C@@H]1CCCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000583571958 1018570581 /nfs/dbraw/zinc/57/05/81/1018570581.db2.gz IELDMSYQSSNDLB-QUCCMNQESA-N 2 2 316.489 3.542 20 0 DHADLP C[C@@H]1CCCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000583571958 1018570593 /nfs/dbraw/zinc/57/05/93/1018570593.db2.gz IELDMSYQSSNDLB-QUCCMNQESA-N 2 2 316.489 3.542 20 0 DHADLP C[C@@H]1CCCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000583571958 1018570601 /nfs/dbraw/zinc/57/06/01/1018570601.db2.gz IELDMSYQSSNDLB-QUCCMNQESA-N 2 2 316.489 3.542 20 0 DHADLP C[C@@H]1CCCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000583571958 1018570611 /nfs/dbraw/zinc/57/06/11/1018570611.db2.gz IELDMSYQSSNDLB-QUCCMNQESA-N 2 2 316.489 3.542 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000675923452 1018625973 /nfs/dbraw/zinc/62/59/73/1018625973.db2.gz SEWDKJXQUGYWBT-UXHICEINSA-N 2 2 317.436 3.981 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000675928733 1018628539 /nfs/dbraw/zinc/62/85/39/1018628539.db2.gz WDRCLOALJITRJT-HZPDHXFCSA-N 2 2 306.413 3.722 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000858138334 1032778412 /nfs/dbraw/zinc/77/84/12/1032778412.db2.gz XCDLOJLSTFYUNA-STQMWFEESA-N 2 2 303.475 3.820 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000858138334 1032778415 /nfs/dbraw/zinc/77/84/15/1032778415.db2.gz XCDLOJLSTFYUNA-STQMWFEESA-N 2 2 303.475 3.820 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccnc(Cl)c1 ZINC000765247593 1018728983 /nfs/dbraw/zinc/72/89/83/1018728983.db2.gz BAFFCOADEBANQQ-JSGCOSHPSA-N 2 2 306.841 3.697 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccnc1Cl ZINC000765252104 1018732326 /nfs/dbraw/zinc/73/23/26/1018732326.db2.gz QNXIPRYWZOXGJG-OCCSQVGLSA-N 2 2 306.841 3.697 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000427891056 1018738012 /nfs/dbraw/zinc/73/80/12/1018738012.db2.gz KYHNRAFPDZELRT-GDBMZVCRSA-N 2 2 313.470 3.641 20 0 DHADLP COc1ccc2c(NCCc3cn4ccccc4[nH+]3)cc[nH+]c2c1 ZINC000765457481 1018791991 /nfs/dbraw/zinc/79/19/91/1018791991.db2.gz LJAQSOBCJFZLTR-UHFFFAOYSA-N 2 2 318.380 3.546 20 0 DHADLP c1ccc([C@H](C[NH2+][C@@H]2CCCSCC2)[NH+]2CCCC2)cc1 ZINC000657817243 1018845219 /nfs/dbraw/zinc/84/52/19/1018845219.db2.gz NFQBIWVBGNDRTJ-MSOLQXFVSA-N 2 2 304.503 3.699 20 0 DHADLP Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001171579036 1032791717 /nfs/dbraw/zinc/79/17/17/1032791717.db2.gz NDVQDYMXBJTXHJ-OALUTQOASA-N 2 2 322.452 3.709 20 0 DHADLP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001171579036 1032791734 /nfs/dbraw/zinc/79/17/34/1032791734.db2.gz NDVQDYMXBJTXHJ-OALUTQOASA-N 2 2 322.452 3.709 20 0 DHADLP FC1(F)CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000711179596 1018913785 /nfs/dbraw/zinc/91/37/85/1018913785.db2.gz FWIWRWFXLIZRAI-QGZVFWFLSA-N 2 2 308.416 3.819 20 0 DHADLP FC1(F)CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000711179596 1018913799 /nfs/dbraw/zinc/91/37/99/1018913799.db2.gz FWIWRWFXLIZRAI-QGZVFWFLSA-N 2 2 308.416 3.819 20 0 DHADLP C[C@H]1C[N@H+](CCCc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000566855107 1018937613 /nfs/dbraw/zinc/93/76/13/1018937613.db2.gz ACIGPLWIKPZIML-XHDPSFHLSA-N 2 2 301.261 3.595 20 0 DHADLP C[C@H]1C[N@@H+](CCCc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000566855107 1018937623 /nfs/dbraw/zinc/93/76/23/1018937623.db2.gz ACIGPLWIKPZIML-XHDPSFHLSA-N 2 2 301.261 3.595 20 0 DHADLP c1ccc(Oc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)c2)nc1 ZINC000921536377 1018951484 /nfs/dbraw/zinc/95/14/84/1018951484.db2.gz FUMSOJHWEDGVLB-RBUKOAKNSA-N 2 2 323.440 3.590 20 0 DHADLP c1ccc(Oc2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)c2)nc1 ZINC000921536377 1018951514 /nfs/dbraw/zinc/95/15/14/1018951514.db2.gz FUMSOJHWEDGVLB-RBUKOAKNSA-N 2 2 323.440 3.590 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000263851237 1032797497 /nfs/dbraw/zinc/79/74/97/1032797497.db2.gz OQWNFZBAJMJQIC-MRXNPFEDSA-N 2 2 320.440 3.789 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220671 1019027672 /nfs/dbraw/zinc/02/76/72/1019027672.db2.gz PPYGCOLFFZLQHM-MLGOLLRUSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220671 1019027680 /nfs/dbraw/zinc/02/76/80/1019027680.db2.gz PPYGCOLFFZLQHM-MLGOLLRUSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220671 1019027691 /nfs/dbraw/zinc/02/76/91/1019027691.db2.gz PPYGCOLFFZLQHM-MLGOLLRUSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220671 1019027708 /nfs/dbraw/zinc/02/77/08/1019027708.db2.gz PPYGCOLFFZLQHM-MLGOLLRUSA-N 2 2 313.272 3.910 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584232564 1019038553 /nfs/dbraw/zinc/03/85/53/1019038553.db2.gz ZJNVRNYOQCICEJ-XJKSGUPXSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584232564 1019038569 /nfs/dbraw/zinc/03/85/69/1019038569.db2.gz ZJNVRNYOQCICEJ-XJKSGUPXSA-N 2 2 323.278 3.586 20 0 DHADLP FC(F)(F)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000278717295 1019081886 /nfs/dbraw/zinc/08/18/86/1019081886.db2.gz KLLBVWDVWKTLRQ-CQSZACIVSA-N 2 2 309.335 3.647 20 0 DHADLP FC(F)(F)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000278717295 1019081903 /nfs/dbraw/zinc/08/19/03/1019081903.db2.gz KLLBVWDVWKTLRQ-CQSZACIVSA-N 2 2 309.335 3.647 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000921916164 1019105244 /nfs/dbraw/zinc/10/52/44/1019105244.db2.gz ZXCLXFIFANPYJK-OAHLLOKOSA-N 2 2 309.885 3.501 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000921916164 1019105250 /nfs/dbraw/zinc/10/52/50/1019105250.db2.gz ZXCLXFIFANPYJK-OAHLLOKOSA-N 2 2 309.885 3.501 20 0 DHADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000657843118 1019129068 /nfs/dbraw/zinc/12/90/68/1019129068.db2.gz HCAIJGXHKIDZMH-KRWDZBQOSA-N 2 2 305.853 3.928 20 0 DHADLP FC(F)(F)CC[N@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923370112 1019156131 /nfs/dbraw/zinc/15/61/31/1019156131.db2.gz DBRQWGOXPVQROW-UHFFFAOYSA-N 2 2 300.368 3.583 20 0 DHADLP FC(F)(F)CC[N@@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923370112 1019156135 /nfs/dbraw/zinc/15/61/35/1019156135.db2.gz DBRQWGOXPVQROW-UHFFFAOYSA-N 2 2 300.368 3.583 20 0 DHADLP C[C@@H]1CC(F)(F)CC[NH+]1CCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980164 1019174914 /nfs/dbraw/zinc/17/49/14/1019174914.db2.gz GYDKIVZKEHFKEV-BETUJISGSA-N 2 2 310.379 3.616 20 0 DHADLP C[C@@H]1CC(F)(F)CC[NH+]1CCC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980164 1019174922 /nfs/dbraw/zinc/17/49/22/1019174922.db2.gz GYDKIVZKEHFKEV-BETUJISGSA-N 2 2 310.379 3.616 20 0 DHADLP C[C@@H]1CC(F)(F)CC[N@H+]1CCC[NH+]1CCC(F)(F)C[C@@H]1C ZINC000625980164 1019174930 /nfs/dbraw/zinc/17/49/30/1019174930.db2.gz GYDKIVZKEHFKEV-BETUJISGSA-N 2 2 310.379 3.616 20 0 DHADLP C[C@@H]1CC(F)(F)CC[N@@H+]1CCC[NH+]1CCC(F)(F)C[C@@H]1C ZINC000625980164 1019174936 /nfs/dbraw/zinc/17/49/36/1019174936.db2.gz GYDKIVZKEHFKEV-BETUJISGSA-N 2 2 310.379 3.616 20 0 DHADLP Cc1[nH+]cn([C@H](C)CCc2ccc(C)cc2)c1CSCC[NH3+] ZINC001171661153 1032817244 /nfs/dbraw/zinc/81/72/44/1032817244.db2.gz YSYLDVIDAIADHF-OAHLLOKOSA-N 2 2 317.502 3.886 20 0 DHADLP Cc1ccc([C@H](C[NH2+]C2CC(CF)(CF)C2)[NH+]2CCCC2)cc1 ZINC000657860243 1019400093 /nfs/dbraw/zinc/40/00/93/1019400093.db2.gz DGLNZXAQPZPFMA-SFHVURJKSA-N 2 2 322.443 3.809 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCSCc3ccccc3)C2)[nH]1 ZINC000090554483 1019407537 /nfs/dbraw/zinc/40/75/37/1019407537.db2.gz FJLNSIKFJZMVNN-QGZVFWFLSA-N 2 2 315.486 3.913 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCSCc3ccccc3)C2)[nH]1 ZINC000090554483 1019407543 /nfs/dbraw/zinc/40/75/43/1019407543.db2.gz FJLNSIKFJZMVNN-QGZVFWFLSA-N 2 2 315.486 3.913 20 0 DHADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072168 1019501470 /nfs/dbraw/zinc/50/14/70/1019501470.db2.gz BWKGTMJERNZDMS-KRWDZBQOSA-N 2 2 313.445 3.824 20 0 DHADLP CC(C)COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072168 1019501475 /nfs/dbraw/zinc/50/14/75/1019501475.db2.gz BWKGTMJERNZDMS-KRWDZBQOSA-N 2 2 313.445 3.824 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092659239 1019526981 /nfs/dbraw/zinc/52/69/81/1019526981.db2.gz CDXVLFJKJVPYOJ-UHFFFAOYSA-N 2 2 321.371 3.630 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccns1 ZINC000858316799 1032842934 /nfs/dbraw/zinc/84/29/34/1032842934.db2.gz MPSBBYLGYOYMJI-OAHLLOKOSA-N 2 2 315.486 3.501 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1nc2ccccc2s1 ZINC000021053464 1032848048 /nfs/dbraw/zinc/84/80/48/1032848048.db2.gz FQCRALJARKVQEF-AWEZNQCLSA-N 2 2 303.475 3.823 20 0 DHADLP c1c(CC[NH2+]C2CCC(C3CCC3)CC2)[nH+]c2n1CCCC2 ZINC000657309609 1019712319 /nfs/dbraw/zinc/71/23/19/1019712319.db2.gz OSKZHHMEZNAWNJ-UHFFFAOYSA-N 2 2 301.478 3.710 20 0 DHADLP COC1([C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCC1 ZINC000657882693 1019738930 /nfs/dbraw/zinc/73/89/30/1019738930.db2.gz UXFHKQLQBNMUPJ-CVEARBPZSA-N 2 2 304.478 3.663 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657885685 1019746074 /nfs/dbraw/zinc/74/60/74/1019746074.db2.gz FAZFKXZICJGFKG-VQIMIIECSA-N 2 2 324.472 3.533 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cc2ccncc2s1 ZINC000657892582 1019873699 /nfs/dbraw/zinc/87/36/99/1019873699.db2.gz CSRNAGZQCCXKIO-GXTWGEPZSA-N 2 2 312.442 3.721 20 0 DHADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000685629506 1019988106 /nfs/dbraw/zinc/98/81/06/1019988106.db2.gz ULOMUNCJKAEALY-PINLSGDHSA-N 2 2 301.821 3.614 20 0 DHADLP CCc1cc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359712703 1020022471 /nfs/dbraw/zinc/02/24/71/1020022471.db2.gz CKLLAYZHIWGGFD-RDTXWAMCSA-N 2 2 310.445 3.595 20 0 DHADLP CCc1cc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359712703 1020022479 /nfs/dbraw/zinc/02/24/79/1020022479.db2.gz CKLLAYZHIWGGFD-RDTXWAMCSA-N 2 2 310.445 3.595 20 0 DHADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000685662351 1020023903 /nfs/dbraw/zinc/02/39/03/1020023903.db2.gz WWGCAOFAZYTYAA-FZMZJTMJSA-N 2 2 322.239 3.851 20 0 DHADLP CC[C@H](C[NH2+][C@H](C)c1cc2ccncc2s1)[NH+]1CCCC1 ZINC000657833986 1020062962 /nfs/dbraw/zinc/06/29/62/1020062962.db2.gz XYQSPSGUXSWGRY-UKRRQHHQSA-N 2 2 303.475 3.821 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000658090159 1020136625 /nfs/dbraw/zinc/13/66/25/1020136625.db2.gz FDAWZIZHDMTSHX-HZPDHXFCSA-N 2 2 320.477 3.617 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000658090159 1020136636 /nfs/dbraw/zinc/13/66/36/1020136636.db2.gz FDAWZIZHDMTSHX-HZPDHXFCSA-N 2 2 320.477 3.617 20 0 DHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090569 1020136723 /nfs/dbraw/zinc/13/67/23/1020136723.db2.gz HVMBLOAFUKQRDH-QAPCUYQASA-N 2 2 302.462 3.535 20 0 DHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090569 1020136730 /nfs/dbraw/zinc/13/67/30/1020136730.db2.gz HVMBLOAFUKQRDH-QAPCUYQASA-N 2 2 302.462 3.535 20 0 DHADLP CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658091736 1020137238 /nfs/dbraw/zinc/13/72/38/1020137238.db2.gz VGOIOURBMIUOPN-MAUKXSAKSA-N 2 2 313.445 3.728 20 0 DHADLP COCCC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000658096499 1020141279 /nfs/dbraw/zinc/14/12/79/1020141279.db2.gz QLCPDSYPCVLIRD-ZWKOTPCHSA-N 2 2 322.468 3.756 20 0 DHADLP COCCC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000658096499 1020141285 /nfs/dbraw/zinc/14/12/85/1020141285.db2.gz QLCPDSYPCVLIRD-ZWKOTPCHSA-N 2 2 322.468 3.756 20 0 DHADLP CC[N@H+](Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1)C(C)C ZINC000101630994 1020151848 /nfs/dbraw/zinc/15/18/48/1020151848.db2.gz LPPUPLOAGWSJLH-UHFFFAOYSA-N 2 2 311.429 3.873 20 0 DHADLP CC[N@@H+](Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1)C(C)C ZINC000101630994 1020151852 /nfs/dbraw/zinc/15/18/52/1020151852.db2.gz LPPUPLOAGWSJLH-UHFFFAOYSA-N 2 2 311.429 3.873 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)c1cccnc1 ZINC000922627767 1020175599 /nfs/dbraw/zinc/17/55/99/1020175599.db2.gz MTVIKHIRHQRWBI-MEDHRJKHSA-N 2 2 313.420 3.517 20 0 DHADLP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390555093 1020207236 /nfs/dbraw/zinc/20/72/36/1020207236.db2.gz GQHCJNNTGNKMMW-HXUWFJFHSA-N 2 2 324.468 3.840 20 0 DHADLP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390555093 1020207246 /nfs/dbraw/zinc/20/72/46/1020207246.db2.gz GQHCJNNTGNKMMW-HXUWFJFHSA-N 2 2 324.468 3.840 20 0 DHADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000922740139 1020241359 /nfs/dbraw/zinc/24/13/59/1020241359.db2.gz CONDNDGWFRAIMZ-UYAOXDASSA-N 2 2 323.484 3.841 20 0 DHADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1 ZINC000922740139 1020241369 /nfs/dbraw/zinc/24/13/69/1020241369.db2.gz CONDNDGWFRAIMZ-UYAOXDASSA-N 2 2 323.484 3.841 20 0 DHADLP CCCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000658295976 1020286980 /nfs/dbraw/zinc/28/69/80/1020286980.db2.gz WQUFSQNFLHWTSJ-PMACEKPBSA-N 2 2 316.489 3.761 20 0 DHADLP C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000658363841 1020326432 /nfs/dbraw/zinc/32/64/32/1020326432.db2.gz XXFRXJYEYKDBOO-YRNRMSPPSA-N 2 2 321.424 3.645 20 0 DHADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000623657774 1020342987 /nfs/dbraw/zinc/34/29/87/1020342987.db2.gz YRSYDDPGERMTKZ-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000623657774 1020342996 /nfs/dbraw/zinc/34/29/96/1020342996.db2.gz YRSYDDPGERMTKZ-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655847908 1020422018 /nfs/dbraw/zinc/42/20/18/1020422018.db2.gz FRMJLDHBKRRSAJ-YESZJQIVSA-N 2 2 302.487 3.830 20 0 DHADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655847908 1020422022 /nfs/dbraw/zinc/42/20/22/1020422022.db2.gz FRMJLDHBKRRSAJ-YESZJQIVSA-N 2 2 302.487 3.830 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000347643507 1020429214 /nfs/dbraw/zinc/42/92/14/1020429214.db2.gz AHKGEJVPTSKYPF-INIZCTEOSA-N 2 2 301.459 3.542 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000347643507 1020429217 /nfs/dbraw/zinc/42/92/17/1020429217.db2.gz AHKGEJVPTSKYPF-INIZCTEOSA-N 2 2 301.459 3.542 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc2cccnc12 ZINC000655856045 1020432198 /nfs/dbraw/zinc/43/21/98/1020432198.db2.gz LDEWVHXVRKBIMM-RTBURBONSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2cccnc12 ZINC000655856045 1020432201 /nfs/dbraw/zinc/43/22/01/1020432201.db2.gz LDEWVHXVRKBIMM-RTBURBONSA-N 2 2 309.457 3.650 20 0 DHADLP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347953905 1020464616 /nfs/dbraw/zinc/46/46/16/1020464616.db2.gz LOKRVVIXBJIOKT-DZGCQCFKSA-N 2 2 319.518 3.763 20 0 DHADLP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347953905 1020464620 /nfs/dbraw/zinc/46/46/20/1020464620.db2.gz LOKRVVIXBJIOKT-DZGCQCFKSA-N 2 2 319.518 3.763 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000525708554 1020493676 /nfs/dbraw/zinc/49/36/76/1020493676.db2.gz YIHRVDKPINNNEB-ZFWWWQNUSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000525708554 1020493681 /nfs/dbraw/zinc/49/36/81/1020493681.db2.gz YIHRVDKPINNNEB-ZFWWWQNUSA-N 2 2 316.420 3.966 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000765858538 1020525273 /nfs/dbraw/zinc/52/52/73/1020525273.db2.gz GZJKUORRRUWOPD-RCCFBDPRSA-N 2 2 322.537 3.824 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC000474716825 1020526460 /nfs/dbraw/zinc/52/64/60/1020526460.db2.gz ZQXRDXWUYTXVJJ-KBHBFKLGSA-N 2 2 306.416 3.816 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC000474716825 1020526467 /nfs/dbraw/zinc/52/64/67/1020526467.db2.gz ZQXRDXWUYTXVJJ-KBHBFKLGSA-N 2 2 306.416 3.816 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001171958943 1032927218 /nfs/dbraw/zinc/92/72/18/1032927218.db2.gz LTZDOPOHLLMQSY-XJKSGUPXSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001171958943 1032927240 /nfs/dbraw/zinc/92/72/40/1032927240.db2.gz LTZDOPOHLLMQSY-XJKSGUPXSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000858536543 1032935416 /nfs/dbraw/zinc/93/54/16/1032935416.db2.gz MEHMLOWBKIPPRM-MLGOLLRUSA-N 2 2 319.399 3.609 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000858536543 1032935425 /nfs/dbraw/zinc/93/54/25/1032935425.db2.gz MEHMLOWBKIPPRM-MLGOLLRUSA-N 2 2 319.399 3.609 20 0 DHADLP CC1(C)C[C@@H]([NH2+]Cc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171966962 1032938894 /nfs/dbraw/zinc/93/88/94/1032938894.db2.gz WWJICQLZWRCERG-SFHVURJKSA-N 2 2 309.457 3.614 20 0 DHADLP CC1(C)C[C@@H]([NH2+]Cc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC001171966962 1032938903 /nfs/dbraw/zinc/93/89/03/1032938903.db2.gz WWJICQLZWRCERG-SFHVURJKSA-N 2 2 309.457 3.614 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C)CCC2 ZINC000414118295 1020910034 /nfs/dbraw/zinc/91/00/34/1020910034.db2.gz UVQIZKCBBPORFA-ARFHVFGLSA-N 2 2 319.493 3.641 20 0 DHADLP Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)c1 ZINC000414123834 1020915847 /nfs/dbraw/zinc/91/58/47/1020915847.db2.gz BXRBLTGEMSRYNS-FVQBIDKESA-N 2 2 315.848 3.846 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1csc(-c2ccccc2)n1 ZINC000414139299 1020931368 /nfs/dbraw/zinc/93/13/68/1020931368.db2.gz QHSXCOGARWRRKS-UKRRQHHQSA-N 2 2 324.453 3.672 20 0 DHADLP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1C[C@@H]1C ZINC000414159849 1020947585 /nfs/dbraw/zinc/94/75/85/1020947585.db2.gz YTVYIDNWCWYZMM-XWQUMRBFSA-N 2 2 318.427 3.816 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)C[C@@H]1C ZINC000740881593 1020959918 /nfs/dbraw/zinc/95/99/18/1020959918.db2.gz CBNCIMHXPBZOAB-AAEUAGOBSA-N 2 2 316.276 3.693 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)C[C@@H]1C ZINC000740881593 1020959923 /nfs/dbraw/zinc/95/99/23/1020959923.db2.gz CBNCIMHXPBZOAB-AAEUAGOBSA-N 2 2 316.276 3.693 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)nc(Cl)c2)C[C@@H]1C ZINC000740881593 1020959931 /nfs/dbraw/zinc/95/99/31/1020959931.db2.gz CBNCIMHXPBZOAB-AAEUAGOBSA-N 2 2 316.276 3.693 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)nc(Cl)c2)C[C@@H]1C ZINC000740881593 1020959936 /nfs/dbraw/zinc/95/99/36/1020959936.db2.gz CBNCIMHXPBZOAB-AAEUAGOBSA-N 2 2 316.276 3.693 20 0 DHADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000134285459 1021101275 /nfs/dbraw/zinc/10/12/75/1021101275.db2.gz QVUWJJBBELMHRI-AWEZNQCLSA-N 2 2 310.228 3.857 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cc2)C1 ZINC000252207703 1021279848 /nfs/dbraw/zinc/27/98/48/1021279848.db2.gz VLZAKXOBANKQNS-WMZOPIPTSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cc2)C1 ZINC000252207703 1021279852 /nfs/dbraw/zinc/27/98/52/1021279852.db2.gz VLZAKXOBANKQNS-WMZOPIPTSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000252207703 1021279858 /nfs/dbraw/zinc/27/98/58/1021279858.db2.gz VLZAKXOBANKQNS-WMZOPIPTSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000252207703 1021279865 /nfs/dbraw/zinc/27/98/65/1021279865.db2.gz VLZAKXOBANKQNS-WMZOPIPTSA-N 2 2 304.453 3.912 20 0 DHADLP C(=C\c1ccncc1)\C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337415423 1032979989 /nfs/dbraw/zinc/97/99/89/1032979989.db2.gz ZDPBBPOSPZLDIR-LKIHTYOGSA-N 2 2 322.456 3.507 20 0 DHADLP C(=C\c1ccncc1)\C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337415423 1032979996 /nfs/dbraw/zinc/97/99/96/1032979996.db2.gz ZDPBBPOSPZLDIR-LKIHTYOGSA-N 2 2 322.456 3.507 20 0 DHADLP CC[C@H](C)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000093076304 1021507812 /nfs/dbraw/zinc/50/78/12/1021507812.db2.gz KLFSMQONKJJPKY-DLBZAZTESA-N 2 2 304.478 3.522 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556061353 1021509929 /nfs/dbraw/zinc/50/99/29/1021509929.db2.gz WCTRHCAHWGMMHU-LPHOPBHVSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556061353 1021509935 /nfs/dbraw/zinc/50/99/35/1021509935.db2.gz WCTRHCAHWGMMHU-LPHOPBHVSA-N 2 2 316.395 3.890 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000850495139 1021563543 /nfs/dbraw/zinc/56/35/43/1021563543.db2.gz XEVPGFXYBUGGKU-RTBURBONSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000850495139 1021563553 /nfs/dbraw/zinc/56/35/53/1021563553.db2.gz XEVPGFXYBUGGKU-RTBURBONSA-N 2 2 316.489 3.617 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000850542947 1021596349 /nfs/dbraw/zinc/59/63/49/1021596349.db2.gz CZMMPHXKFJFTAS-NFOMZHRRSA-N 2 2 306.416 3.818 20 0 DHADLP CC(=O)C(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069379 1032994542 /nfs/dbraw/zinc/99/45/42/1032994542.db2.gz UBBCLVAUDPSSEM-REPLKXPHSA-N 2 2 314.473 3.529 20 0 DHADLP CC(=O)C(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069379 1032994554 /nfs/dbraw/zinc/99/45/54/1032994554.db2.gz UBBCLVAUDPSSEM-REPLKXPHSA-N 2 2 314.473 3.529 20 0 DHADLP CC(=O)C(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172069375 1032991849 /nfs/dbraw/zinc/99/18/49/1032991849.db2.gz UBBCLVAUDPSSEM-LDLYASANSA-N 2 2 314.473 3.529 20 0 DHADLP CC(=O)C(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172069375 1032991859 /nfs/dbraw/zinc/99/18/59/1032991859.db2.gz UBBCLVAUDPSSEM-LDLYASANSA-N 2 2 314.473 3.529 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000379658266 1021707058 /nfs/dbraw/zinc/70/70/58/1021707058.db2.gz VVMOGJWZOFKKFY-NSISKUIASA-N 2 2 321.468 3.712 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000379658266 1021707073 /nfs/dbraw/zinc/70/70/73/1021707073.db2.gz VVMOGJWZOFKKFY-NSISKUIASA-N 2 2 321.468 3.712 20 0 DHADLP Cc1cccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)c1 ZINC000624014566 1022129188 /nfs/dbraw/zinc/12/91/88/1022129188.db2.gz AUIKAJDYAPWTHY-WOJBJXKFSA-N 2 2 316.489 3.535 20 0 DHADLP Cc1ccccc1[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001169080993 1022251202 /nfs/dbraw/zinc/25/12/02/1022251202.db2.gz OSMGYKFHPOSMTH-JTJHWIPRSA-N 2 2 321.468 3.694 20 0 DHADLP Cc1ccccc1[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001169080993 1022251209 /nfs/dbraw/zinc/25/12/09/1022251209.db2.gz OSMGYKFHPOSMTH-JTJHWIPRSA-N 2 2 321.468 3.694 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)Cc1ccncc1)C2 ZINC001169125818 1022261481 /nfs/dbraw/zinc/26/14/81/1022261481.db2.gz LYYQTOKIHGVAIR-WKCHPHFGSA-N 2 2 321.468 3.709 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)Cc1ccncc1)C2 ZINC001169125818 1022261491 /nfs/dbraw/zinc/26/14/91/1022261491.db2.gz LYYQTOKIHGVAIR-WKCHPHFGSA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccccc1)Cc1ccncc1)C2 ZINC001169125818 1022261496 /nfs/dbraw/zinc/26/14/96/1022261496.db2.gz LYYQTOKIHGVAIR-WKCHPHFGSA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)Cc1ccncc1)C2 ZINC001169125818 1022261504 /nfs/dbraw/zinc/26/15/04/1022261504.db2.gz LYYQTOKIHGVAIR-WKCHPHFGSA-N 2 2 321.468 3.709 20 0 DHADLP CC(C)[C@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000153918675 1022263321 /nfs/dbraw/zinc/26/33/21/1022263321.db2.gz KUDKULAUTRXGMG-DLBZAZTESA-N 2 2 304.478 3.521 20 0 DHADLP CC1(C)C[C@@H](Nc2[nH+]cccc2-n2cccc2)C[C@](C)(C[NH3+])C1 ZINC001169140929 1022272463 /nfs/dbraw/zinc/27/24/63/1022272463.db2.gz HYZKXQRHJTZEOG-BEFAXECRSA-N 2 2 312.461 3.828 20 0 DHADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169145622 1022278320 /nfs/dbraw/zinc/27/83/20/1022278320.db2.gz NBPMZVIMMFSPDM-UJWQCDCRSA-N 2 2 308.510 3.875 20 0 DHADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169145622 1022278327 /nfs/dbraw/zinc/27/83/27/1022278327.db2.gz NBPMZVIMMFSPDM-UJWQCDCRSA-N 2 2 308.510 3.875 20 0 DHADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169145622 1022278331 /nfs/dbraw/zinc/27/83/31/1022278331.db2.gz NBPMZVIMMFSPDM-UJWQCDCRSA-N 2 2 308.510 3.875 20 0 DHADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169145622 1022278338 /nfs/dbraw/zinc/27/83/38/1022278338.db2.gz NBPMZVIMMFSPDM-UJWQCDCRSA-N 2 2 308.510 3.875 20 0 DHADLP Cc1cc([NH+]2CCCCC2)ccc1-n1ncc2c1cccc2C[NH3+] ZINC001169195394 1022292609 /nfs/dbraw/zinc/29/26/09/1022292609.db2.gz JPQPQHSSXABGRO-UHFFFAOYSA-N 2 2 320.440 3.783 20 0 DHADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC001172216767 1033046860 /nfs/dbraw/zinc/04/68/60/1033046860.db2.gz NQZUDJYJVCBZMN-JAGQDSLRSA-N 2 2 322.452 3.727 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(F)cc3cccnc31)CCC2 ZINC000363893831 1022391390 /nfs/dbraw/zinc/39/13/90/1022391390.db2.gz MKNMWVWQVKGSPN-HNNXBMFYSA-N 2 2 324.403 3.546 20 0 DHADLP CCCN(CC)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000156799015 1022493998 /nfs/dbraw/zinc/49/39/98/1022493998.db2.gz OVHIRUOJHAFFET-INIZCTEOSA-N 2 2 314.477 3.563 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1nccs1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272348818 1022499735 /nfs/dbraw/zinc/49/97/35/1022499735.db2.gz QFYBFZFRZCOOJZ-VYDXJSESSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1nccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272348818 1022499742 /nfs/dbraw/zinc/49/97/42/1022499742.db2.gz QFYBFZFRZCOOJZ-VYDXJSESSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000158243287 1022618814 /nfs/dbraw/zinc/61/88/14/1022618814.db2.gz WJZGIBSPYNUZQZ-CABCVRRESA-N 2 2 315.486 3.803 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000158243287 1022618817 /nfs/dbraw/zinc/61/88/17/1022618817.db2.gz WJZGIBSPYNUZQZ-CABCVRRESA-N 2 2 315.486 3.803 20 0 DHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000338973099 1022628423 /nfs/dbraw/zinc/62/84/23/1022628423.db2.gz RQYIRHISDFQLRA-UHFFFAOYSA-N 2 2 321.827 3.667 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)CCC2 ZINC000417313107 1022678886 /nfs/dbraw/zinc/67/88/86/1022678886.db2.gz OTJYFMQJECTDOJ-LVQVYYBASA-N 2 2 315.486 3.912 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CC[C@H]2CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000621375782 1022726850 /nfs/dbraw/zinc/72/68/50/1022726850.db2.gz FGUIFEYYZNIXOI-JKSUJKDBSA-N 2 2 308.416 3.674 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CC[C@H]2CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000621375782 1022726869 /nfs/dbraw/zinc/72/68/69/1022726869.db2.gz FGUIFEYYZNIXOI-JKSUJKDBSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000072726211 1022899705 /nfs/dbraw/zinc/89/97/05/1022899705.db2.gz MZFRMZBOTNTGIJ-GFCCVEGCSA-N 2 2 301.777 3.970 20 0 DHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000163850554 1022932782 /nfs/dbraw/zinc/93/27/82/1022932782.db2.gz QNPGKHWGRGSGAV-GOSISDBHSA-N 2 2 311.429 3.559 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000364310532 1023007078 /nfs/dbraw/zinc/00/70/78/1023007078.db2.gz IBDGUPGIXOLHEV-JKSUJKDBSA-N 2 2 305.466 3.601 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000364310532 1023007093 /nfs/dbraw/zinc/00/70/93/1023007093.db2.gz IBDGUPGIXOLHEV-JKSUJKDBSA-N 2 2 305.466 3.601 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCOC1 ZINC000167871900 1023050513 /nfs/dbraw/zinc/05/05/13/1023050513.db2.gz VZLKCFIRIJCGNO-JQHSSLGASA-N 2 2 304.478 3.521 20 0 DHADLP c1cn(C2CC[NH+](Cc3ccccc3N3CCCCC3)CC2)c[nH+]1 ZINC000769186514 1023099642 /nfs/dbraw/zinc/09/96/42/1023099642.db2.gz IOIXSWSFIXFHII-UHFFFAOYSA-N 2 2 324.472 3.711 20 0 DHADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000876619577 1033109685 /nfs/dbraw/zinc/10/96/85/1033109685.db2.gz BTUJLAFJZXPTPU-INIZCTEOSA-N 2 2 313.445 3.967 20 0 DHADLP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000876619577 1033109692 /nfs/dbraw/zinc/10/96/92/1033109692.db2.gz BTUJLAFJZXPTPU-INIZCTEOSA-N 2 2 313.445 3.967 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1N(C)C ZINC000769684368 1023188554 /nfs/dbraw/zinc/18/85/54/1023188554.db2.gz LVVXHXBWRMSIAZ-YJBOKZPZSA-N 2 2 314.477 3.715 20 0 DHADLP CC(C)(C)Oc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000876650293 1033114930 /nfs/dbraw/zinc/11/49/30/1033114930.db2.gz AMRKBRPUEKJWLX-UHFFFAOYSA-N 2 2 313.445 3.898 20 0 DHADLP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000769872683 1023237282 /nfs/dbraw/zinc/23/72/82/1023237282.db2.gz HMCDSWKYYWZWRH-GFCCVEGCSA-N 2 2 319.424 3.597 20 0 DHADLP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172330534 1033118003 /nfs/dbraw/zinc/11/80/03/1033118003.db2.gz LWEGWWQRPVOCSB-JKSUJKDBSA-N 2 2 306.450 3.519 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000337655887 1033124381 /nfs/dbraw/zinc/12/43/81/1033124381.db2.gz HZTHTOPLUSPWDO-IBGZPJMESA-N 2 2 303.409 3.862 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000337655887 1033124388 /nfs/dbraw/zinc/12/43/88/1033124388.db2.gz HZTHTOPLUSPWDO-IBGZPJMESA-N 2 2 303.409 3.862 20 0 DHADLP Cc1nc(C)c(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)s1 ZINC000660679923 1023374202 /nfs/dbraw/zinc/37/42/02/1023374202.db2.gz SZSOPMFJIBNOPN-UHFFFAOYSA-N 2 2 315.486 3.514 20 0 DHADLP CC[C@@H](C)OCC[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172352234 1033134499 /nfs/dbraw/zinc/13/44/99/1033134499.db2.gz QUQJLUDICZCZHW-LSDHHAIUSA-N 2 2 301.434 3.775 20 0 DHADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661659722 1023472564 /nfs/dbraw/zinc/47/25/64/1023472564.db2.gz LNUMHEWSJMSFHM-QGZVFWFLSA-N 2 2 308.441 3.703 20 0 DHADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661659722 1023472569 /nfs/dbraw/zinc/47/25/69/1023472569.db2.gz LNUMHEWSJMSFHM-QGZVFWFLSA-N 2 2 308.441 3.703 20 0 DHADLP CCOCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001172413571 1033158564 /nfs/dbraw/zinc/15/85/64/1033158564.db2.gz BLDFZPLLGADGEN-INIZCTEOSA-N 2 2 322.468 3.503 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000652241283 1023712257 /nfs/dbraw/zinc/71/22/57/1023712257.db2.gz BYOACNSMRKPYSL-KCITZHQASA-N 2 2 315.505 3.706 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000652241283 1023712264 /nfs/dbraw/zinc/71/22/64/1023712264.db2.gz BYOACNSMRKPYSL-KCITZHQASA-N 2 2 315.505 3.706 20 0 DHADLP CCOCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC001172416990 1033161935 /nfs/dbraw/zinc/16/19/35/1033161935.db2.gz PXJIONZXSQYEBN-FFZOFVMBSA-N 2 2 312.457 3.832 20 0 DHADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000925737228 1023830916 /nfs/dbraw/zinc/83/09/16/1023830916.db2.gz QBXBJLALZNRSRW-GFCCVEGCSA-N 2 2 319.836 3.786 20 0 DHADLP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000709621394 1023831220 /nfs/dbraw/zinc/83/12/20/1023831220.db2.gz TYNBXMPECJHALN-PMACEKPBSA-N 2 2 314.473 3.714 20 0 DHADLP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000709621394 1023831223 /nfs/dbraw/zinc/83/12/23/1023831223.db2.gz TYNBXMPECJHALN-PMACEKPBSA-N 2 2 314.473 3.714 20 0 DHADLP CC(C)[NH+](CCC[NH2+][C@H]1CCc2ccc(Cl)nc21)C(C)C ZINC000788609886 1023907670 /nfs/dbraw/zinc/90/76/70/1023907670.db2.gz JHSFIACBRUCCMB-HNNXBMFYSA-N 2 2 309.885 3.821 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538750850 1033171345 /nfs/dbraw/zinc/17/13/45/1033171345.db2.gz CBGIDTQORZZYDE-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538750850 1033171352 /nfs/dbraw/zinc/17/13/52/1033171352.db2.gz CBGIDTQORZZYDE-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538750850 1033171356 /nfs/dbraw/zinc/17/13/56/1033171356.db2.gz CBGIDTQORZZYDE-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538750850 1033171370 /nfs/dbraw/zinc/17/13/70/1033171370.db2.gz CBGIDTQORZZYDE-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP C[C@H](CC[NH2+][C@@H]1CCc2ccc(Cl)nc21)[NH+]1CCCCC1 ZINC000788737075 1023933525 /nfs/dbraw/zinc/93/35/25/1023933525.db2.gz HZXPWDPRXYHKBV-UKRRQHHQSA-N 2 2 307.869 3.576 20 0 DHADLP c1ccc2c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccnc2c1 ZINC000538798181 1033183204 /nfs/dbraw/zinc/18/32/04/1033183204.db2.gz QZXXDDKZQRGMGA-LAUBAEHRSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccnc2c1 ZINC000538798181 1033183212 /nfs/dbraw/zinc/18/32/12/1033183212.db2.gz QZXXDDKZQRGMGA-LAUBAEHRSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccnc2c1 ZINC000538798181 1033183221 /nfs/dbraw/zinc/18/32/21/1033183221.db2.gz QZXXDDKZQRGMGA-LAUBAEHRSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccnc2c1 ZINC000538798181 1033183227 /nfs/dbraw/zinc/18/32/27/1033183227.db2.gz QZXXDDKZQRGMGA-LAUBAEHRSA-N 2 2 321.468 3.684 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc2ccccc2s1 ZINC000130147461 1024133849 /nfs/dbraw/zinc/13/38/49/1024133849.db2.gz ONSKWXUYZMKNNS-BFHYXJOUSA-N 2 2 301.459 3.574 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc2ccccc2s1 ZINC000130147461 1024133852 /nfs/dbraw/zinc/13/38/52/1024133852.db2.gz ONSKWXUYZMKNNS-BFHYXJOUSA-N 2 2 301.459 3.574 20 0 DHADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC001170114013 1024140476 /nfs/dbraw/zinc/14/04/76/1024140476.db2.gz ZHUZFZQSLXQJKM-KUHUBIRLSA-N 2 2 304.453 3.877 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@@H](C)C1 ZINC000268780818 1024158435 /nfs/dbraw/zinc/15/84/35/1024158435.db2.gz AIQQHCWMWPPZSI-AAEUAGOBSA-N 2 2 323.893 3.770 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@@H](C)C1 ZINC000268780818 1024158440 /nfs/dbraw/zinc/15/84/40/1024158440.db2.gz AIQQHCWMWPPZSI-AAEUAGOBSA-N 2 2 323.893 3.770 20 0 DHADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268785914 1024160932 /nfs/dbraw/zinc/16/09/32/1024160932.db2.gz VQFROHHOKUHJIU-IIBYNOLFSA-N 2 2 317.436 3.955 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)COC2 ZINC000268800188 1024163772 /nfs/dbraw/zinc/16/37/72/1024163772.db2.gz AWSOCLAUEJDVJB-OAHLLOKOSA-N 2 2 319.408 3.753 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000268802830 1024166834 /nfs/dbraw/zinc/16/68/34/1024166834.db2.gz IBOFCMOWSGCZJZ-OLZOCXBDSA-N 2 2 307.825 3.675 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000531701584 1024275051 /nfs/dbraw/zinc/27/50/51/1024275051.db2.gz HHLAOUQAHNCRTQ-ZDUSSCGKSA-N 2 2 307.825 3.676 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387055 1024421016 /nfs/dbraw/zinc/42/10/16/1024421016.db2.gz RFQLXUROECZUHX-QFBILLFUSA-N 2 2 306.413 3.679 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1O ZINC000453266896 1024433423 /nfs/dbraw/zinc/43/34/23/1024433423.db2.gz XTNQLXOHQOOXBO-WBVHZDCISA-N 2 2 320.477 3.562 20 0 DHADLP C[C@@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001170157374 1024538193 /nfs/dbraw/zinc/53/81/93/1024538193.db2.gz KNAMNUUVUNZKLH-CRAIPNDOSA-N 2 2 304.453 3.911 20 0 DHADLP C[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001170157374 1024538200 /nfs/dbraw/zinc/53/82/00/1024538200.db2.gz KNAMNUUVUNZKLH-CRAIPNDOSA-N 2 2 304.453 3.911 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000315336103 1024555315 /nfs/dbraw/zinc/55/53/15/1024555315.db2.gz DZHDENNXOVJGQB-JSGCOSHPSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000315336103 1024555322 /nfs/dbraw/zinc/55/53/22/1024555322.db2.gz DZHDENNXOVJGQB-JSGCOSHPSA-N 2 2 319.836 3.554 20 0 DHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000390880849 1024588824 /nfs/dbraw/zinc/58/88/24/1024588824.db2.gz UIUNGXCTWPEXBX-HXUWFJFHSA-N 2 2 324.468 3.783 20 0 DHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000390880849 1024588832 /nfs/dbraw/zinc/58/88/32/1024588832.db2.gz UIUNGXCTWPEXBX-HXUWFJFHSA-N 2 2 324.468 3.783 20 0 DHADLP Oc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000585748882 1024594466 /nfs/dbraw/zinc/59/44/66/1024594466.db2.gz SBMKHUDHLNPCNJ-FQEVSTJZSA-N 2 2 319.408 3.915 20 0 DHADLP Oc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000585748882 1024594476 /nfs/dbraw/zinc/59/44/76/1024594476.db2.gz SBMKHUDHLNPCNJ-FQEVSTJZSA-N 2 2 319.408 3.915 20 0 DHADLP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccccn1)C[NH+]1CCCCC1 ZINC000194190287 1024619933 /nfs/dbraw/zinc/61/99/33/1024619933.db2.gz ASTCOAPQXLFLQU-WIYYLYMNSA-N 2 2 323.484 3.883 20 0 DHADLP CCCc1csc(C[N@@H+](C)CCCc2[nH+]ccn2CCC)n1 ZINC000349177179 1024682421 /nfs/dbraw/zinc/68/24/21/1024682421.db2.gz AJKGLQXMLTZCQF-UHFFFAOYSA-N 2 2 320.506 3.767 20 0 DHADLP CCCc1csc(C[N@H+](C)CCCc2[nH+]ccn2CCC)n1 ZINC000349177179 1024682427 /nfs/dbraw/zinc/68/24/27/1024682427.db2.gz AJKGLQXMLTZCQF-UHFFFAOYSA-N 2 2 320.506 3.767 20 0 DHADLP CC[C@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC001170181616 1024683389 /nfs/dbraw/zinc/68/33/89/1024683389.db2.gz JSYYNJRCZPQJFF-XSDIEEQYSA-N 2 2 324.468 3.975 20 0 DHADLP FC(F)(F)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109795261 1024698099 /nfs/dbraw/zinc/69/80/99/1024698099.db2.gz YVUYHDUEJDDOAB-UHFFFAOYSA-N 2 2 309.335 3.739 20 0 DHADLP CC[NH+](CC)CCC[N@H+](CC)Cc1c(C)nn(C(C)(C)C)c1C ZINC000349417770 1024716677 /nfs/dbraw/zinc/71/66/77/1024716677.db2.gz MVVFTVLKDLIZAF-UHFFFAOYSA-N 2 2 322.541 3.809 20 0 DHADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1c(C)nn(C(C)(C)C)c1C ZINC000349417770 1024716693 /nfs/dbraw/zinc/71/66/93/1024716693.db2.gz MVVFTVLKDLIZAF-UHFFFAOYSA-N 2 2 322.541 3.809 20 0 DHADLP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCO1 ZINC000648452750 1024729158 /nfs/dbraw/zinc/72/91/58/1024729158.db2.gz QKZXGZGFIXQSLE-KBAYOESNSA-N 2 2 304.478 3.663 20 0 DHADLP CCC[C@@H](CC)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373484935 1024769743 /nfs/dbraw/zinc/76/97/43/1024769743.db2.gz MRMACYOXCKWRET-WLYUNCDWSA-N 2 2 306.416 3.960 20 0 DHADLP c1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000282890848 1024789123 /nfs/dbraw/zinc/78/91/23/1024789123.db2.gz ZHRIAWCTXVXHCR-OAHLLOKOSA-N 2 2 301.459 3.661 20 0 DHADLP c1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000282890848 1024789131 /nfs/dbraw/zinc/78/91/31/1024789131.db2.gz ZHRIAWCTXVXHCR-OAHLLOKOSA-N 2 2 301.459 3.661 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001168178428 1024836563 /nfs/dbraw/zinc/83/65/63/1024836563.db2.gz WPBQMZRMXDQOLV-OAHLLOKOSA-N 2 2 318.892 3.689 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001168178428 1024836579 /nfs/dbraw/zinc/83/65/79/1024836579.db2.gz WPBQMZRMXDQOLV-OAHLLOKOSA-N 2 2 318.892 3.689 20 0 DHADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000122218815 1024903416 /nfs/dbraw/zinc/90/34/16/1024903416.db2.gz LYVQMTWINCEWJS-ZOWXZIJZSA-N 2 2 311.267 3.569 20 0 DHADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000122218815 1024903426 /nfs/dbraw/zinc/90/34/26/1024903426.db2.gz LYVQMTWINCEWJS-ZOWXZIJZSA-N 2 2 311.267 3.569 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(F)cc(F)c1 ZINC000162882246 1024920068 /nfs/dbraw/zinc/92/00/68/1024920068.db2.gz NZEKLIPMBMCPQD-ZDUSSCGKSA-N 2 2 305.372 3.903 20 0 DHADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc2n[nH]cc2c1 ZINC000353100261 1024941799 /nfs/dbraw/zinc/94/17/99/1024941799.db2.gz LHOLWVFEYLJAMA-LBPRGKRZSA-N 2 2 323.425 3.661 20 0 DHADLP COC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000353261993 1025006881 /nfs/dbraw/zinc/00/68/81/1025006881.db2.gz DKHOMWIEWDFZGV-INIZCTEOSA-N 2 2 319.836 3.514 20 0 DHADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000279692575 1025155809 /nfs/dbraw/zinc/15/58/09/1025155809.db2.gz IHKKFWLPBQTHEE-LPHOPBHVSA-N 2 2 313.445 3.640 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)ccc1OC ZINC000353640510 1025169751 /nfs/dbraw/zinc/16/97/51/1025169751.db2.gz HKVCGMRJWZHJND-OCCSQVGLSA-N 2 2 319.836 3.670 20 0 DHADLP Cc1ccc2nc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC001137217459 1025279723 /nfs/dbraw/zinc/27/97/23/1025279723.db2.gz ZGRZHOGHICOVCT-IBGZPJMESA-N 2 2 319.408 3.592 20 0 DHADLP Cc1ccc2nc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC001137217459 1025279736 /nfs/dbraw/zinc/27/97/36/1025279736.db2.gz ZGRZHOGHICOVCT-IBGZPJMESA-N 2 2 319.408 3.592 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000320257846 1025286113 /nfs/dbraw/zinc/28/61/13/1025286113.db2.gz BZADGQXFEUIKSS-HNAYVOBHSA-N 2 2 312.457 3.983 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000320257846 1025286124 /nfs/dbraw/zinc/28/61/24/1025286124.db2.gz BZADGQXFEUIKSS-HNAYVOBHSA-N 2 2 312.457 3.983 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC000354093020 1025348634 /nfs/dbraw/zinc/34/86/34/1025348634.db2.gz PQLJVYIAQCVVKB-LJQANCHMSA-N 2 2 324.403 3.893 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123839229 1025402835 /nfs/dbraw/zinc/40/28/35/1025402835.db2.gz BDPIIXOMTBPGKO-ZIAGYGMSSA-N 2 2 319.399 3.714 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123839229 1025402843 /nfs/dbraw/zinc/40/28/43/1025402843.db2.gz BDPIIXOMTBPGKO-ZIAGYGMSSA-N 2 2 319.399 3.714 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000885951439 1025417775 /nfs/dbraw/zinc/41/77/75/1025417775.db2.gz IOYZMNNVDOQBQM-MSOLQXFVSA-N 2 2 308.510 3.578 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000354396273 1025418887 /nfs/dbraw/zinc/41/88/87/1025418887.db2.gz UBLSWUVTRCYQCK-CRAIPNDOSA-N 2 2 310.445 3.649 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000354396273 1025418898 /nfs/dbraw/zinc/41/88/98/1025418898.db2.gz UBLSWUVTRCYQCK-CRAIPNDOSA-N 2 2 310.445 3.649 20 0 DHADLP COc1ccc2[nH+]c(C)cc(OCCCn3cc[nH+]c3C)c2c1 ZINC000354539541 1025453043 /nfs/dbraw/zinc/45/30/43/1025453043.db2.gz RGEVFGFPZSNYME-UHFFFAOYSA-N 2 2 311.385 3.526 20 0 DHADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CC[NH+](C)CC1)CCCO2 ZINC000126480462 1025511291 /nfs/dbraw/zinc/51/12/91/1025511291.db2.gz FXHNHTLSUGIGJQ-INIZCTEOSA-N 2 2 308.853 3.546 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3csc(C4CC4)n3)CC2)[nH+]c1C ZINC000886664680 1025769360 /nfs/dbraw/zinc/76/93/60/1025769360.db2.gz URYMDIDYUCQXED-UHFFFAOYSA-N 2 2 316.474 3.740 20 0 DHADLP COC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000089668209 1026062145 /nfs/dbraw/zinc/06/21/45/1026062145.db2.gz QWZWSDOFVCAHRU-OXQOHEQNSA-N 2 2 321.424 3.911 20 0 DHADLP COC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000089668207 1026062247 /nfs/dbraw/zinc/06/22/47/1026062247.db2.gz QWZWSDOFVCAHRU-UZLBHIALSA-N 2 2 321.424 3.911 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(CSC(F)F)o2)CC[N@@H+]1C ZINC000093644782 1026120339 /nfs/dbraw/zinc/12/03/39/1026120339.db2.gz DQXISHOETYQQDI-RYUDHWBXSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(CSC(F)F)o2)CC[N@H+]1C ZINC000093644782 1026120350 /nfs/dbraw/zinc/12/03/50/1026120350.db2.gz DQXISHOETYQQDI-RYUDHWBXSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(CSC(F)F)o2)CC[NH+]1C ZINC000093644782 1026120362 /nfs/dbraw/zinc/12/03/62/1026120362.db2.gz DQXISHOETYQQDI-RYUDHWBXSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(CSC(F)F)o2)CC[NH+]1C ZINC000093644782 1026120366 /nfs/dbraw/zinc/12/03/66/1026120366.db2.gz DQXISHOETYQQDI-RYUDHWBXSA-N 2 2 318.433 3.650 20 0 DHADLP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245702899 1026135459 /nfs/dbraw/zinc/13/54/59/1026135459.db2.gz DMDTWDRBCBWJSI-LAUBAEHRSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245702899 1026135469 /nfs/dbraw/zinc/13/54/69/1026135469.db2.gz DMDTWDRBCBWJSI-LAUBAEHRSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245702899 1026135480 /nfs/dbraw/zinc/13/54/80/1026135480.db2.gz DMDTWDRBCBWJSI-LAUBAEHRSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245702899 1026135502 /nfs/dbraw/zinc/13/55/02/1026135502.db2.gz DMDTWDRBCBWJSI-LAUBAEHRSA-N 2 2 323.484 3.875 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000289724891 1026146629 /nfs/dbraw/zinc/14/66/29/1026146629.db2.gz DCJZZZYEKFLAJI-SSUFTNFISA-N 2 2 321.371 3.566 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CCCC3)s2)[C@@H](C)C1 ZINC000245780360 1026211308 /nfs/dbraw/zinc/21/13/08/1026211308.db2.gz UFVBMLVAIPSCAW-WMLDXEAASA-N 2 2 321.534 3.963 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCC3)s2)[C@@H](C)C1 ZINC000245780360 1026211287 /nfs/dbraw/zinc/21/12/87/1026211287.db2.gz UFVBMLVAIPSCAW-WMLDXEAASA-N 2 2 321.534 3.963 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCCC3)s2)[C@@H](C)C1 ZINC000245780360 1026211298 /nfs/dbraw/zinc/21/12/98/1026211298.db2.gz UFVBMLVAIPSCAW-WMLDXEAASA-N 2 2 321.534 3.963 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCCC3)s2)[C@@H](C)C1 ZINC000245780360 1026211316 /nfs/dbraw/zinc/21/13/16/1026211316.db2.gz UFVBMLVAIPSCAW-WMLDXEAASA-N 2 2 321.534 3.963 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000356886046 1026212062 /nfs/dbraw/zinc/21/20/62/1026212062.db2.gz XJSWTUZWVXBKCX-INIZCTEOSA-N 2 2 320.440 3.740 20 0 DHADLP CSCc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001158271163 1026227947 /nfs/dbraw/zinc/22/79/47/1026227947.db2.gz HIXBVEYWJVFFLR-YOEHRIQHSA-N 2 2 307.507 3.900 20 0 DHADLP Cc1ccccc1OCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000356958150 1026245719 /nfs/dbraw/zinc/24/57/19/1026245719.db2.gz UECGNYINJMVYSR-KRWDZBQOSA-N 2 2 321.424 3.910 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000290043986 1026297203 /nfs/dbraw/zinc/29/72/03/1026297203.db2.gz OGJRFKLEPWLBBA-UHFFFAOYSA-N 2 2 305.425 3.762 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000290043986 1026297216 /nfs/dbraw/zinc/29/72/16/1026297216.db2.gz OGJRFKLEPWLBBA-UHFFFAOYSA-N 2 2 305.425 3.762 20 0 DHADLP CCC(=O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000290039608 1026297528 /nfs/dbraw/zinc/29/75/28/1026297528.db2.gz NYFQGMXEXNOTRY-MJGOQNOKSA-N 2 2 316.489 3.731 20 0 DHADLP CCC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000290039608 1026297541 /nfs/dbraw/zinc/29/75/41/1026297541.db2.gz NYFQGMXEXNOTRY-MJGOQNOKSA-N 2 2 316.489 3.731 20 0 DHADLP CCC(=O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000290039608 1026297555 /nfs/dbraw/zinc/29/75/55/1026297555.db2.gz NYFQGMXEXNOTRY-MJGOQNOKSA-N 2 2 316.489 3.731 20 0 DHADLP CCC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000290039608 1026297568 /nfs/dbraw/zinc/29/75/68/1026297568.db2.gz NYFQGMXEXNOTRY-MJGOQNOKSA-N 2 2 316.489 3.731 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000353747647 1026309439 /nfs/dbraw/zinc/30/94/39/1026309439.db2.gz PTCOYZCFIZQBLH-KGLIPLIRSA-N 2 2 309.523 3.745 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000353747647 1026309450 /nfs/dbraw/zinc/30/94/50/1026309450.db2.gz PTCOYZCFIZQBLH-KGLIPLIRSA-N 2 2 309.523 3.745 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000353747647 1026309462 /nfs/dbraw/zinc/30/94/62/1026309462.db2.gz PTCOYZCFIZQBLH-KGLIPLIRSA-N 2 2 309.523 3.745 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000353747647 1026309471 /nfs/dbraw/zinc/30/94/71/1026309471.db2.gz PTCOYZCFIZQBLH-KGLIPLIRSA-N 2 2 309.523 3.745 20 0 DHADLP c1cc(-c2ccc3c(C4C[NH+]([C@H]5C[C@H]6C[C@H]6C5)C4)[nH+]cn3c2)co1 ZINC001167942091 1026452078 /nfs/dbraw/zinc/45/20/78/1026452078.db2.gz YSVKGLGRGPZTSB-VQFNDLOPSA-N 2 2 319.408 3.792 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000513361134 1026485462 /nfs/dbraw/zinc/48/54/62/1026485462.db2.gz XITRNQJTRWUJAN-KRWDZBQOSA-N 2 2 308.416 3.806 20 0 DHADLP COc1cc(Cl)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000280206569 1026610053 /nfs/dbraw/zinc/61/00/53/1026610053.db2.gz AOTCZJQCKTUGIF-UHFFFAOYSA-N 2 2 310.869 3.653 20 0 DHADLP COc1cc(Cl)ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000280206569 1026610062 /nfs/dbraw/zinc/61/00/62/1026610062.db2.gz AOTCZJQCKTUGIF-UHFFFAOYSA-N 2 2 310.869 3.653 20 0 DHADLP C[C@H](c1ccccc1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906773 1026875490 /nfs/dbraw/zinc/87/54/90/1026875490.db2.gz SWHVOXMBJSYQKL-GOSISDBHSA-N 2 2 324.468 3.712 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906773 1026875493 /nfs/dbraw/zinc/87/54/93/1026875493.db2.gz SWHVOXMBJSYQKL-GOSISDBHSA-N 2 2 324.468 3.712 20 0 DHADLP C[C@H]1c2ccccc2C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420917828 1026888230 /nfs/dbraw/zinc/88/82/30/1026888230.db2.gz UKCJEPDWEIJLIZ-KRWDZBQOSA-N 2 2 322.452 3.596 20 0 DHADLP C[C@H]1c2ccccc2C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420917828 1026888236 /nfs/dbraw/zinc/88/82/36/1026888236.db2.gz UKCJEPDWEIJLIZ-KRWDZBQOSA-N 2 2 322.452 3.596 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170673343 1027237075 /nfs/dbraw/zinc/23/70/75/1027237075.db2.gz MTOCURAFKVEDMO-PBHICJAKSA-N 2 2 322.443 3.532 20 0 DHADLP Fc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422809517 1027331273 /nfs/dbraw/zinc/33/12/73/1027331273.db2.gz RXRLSXJDMSIKEQ-MSOLQXFVSA-N 2 2 302.368 3.548 20 0 DHADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422881499 1027346212 /nfs/dbraw/zinc/34/62/12/1027346212.db2.gz YSNFEGIXTKISLN-GJZGRUSLSA-N 2 2 313.445 3.831 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422876495 1027347782 /nfs/dbraw/zinc/34/77/82/1027347782.db2.gz QDHVNRQEIFGDQW-JKSUJKDBSA-N 2 2 318.367 3.831 20 0 DHADLP C[C@@H]([NH2+]CCc1nc(C2CCCCC2)cs1)[C@@H]1CCCC[NH2+]1 ZINC000422906660 1027357167 /nfs/dbraw/zinc/35/71/67/1027357167.db2.gz ABEIPJGARLISRW-ZBFHGGJFSA-N 2 2 321.534 3.854 20 0 DHADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422896925 1027361884 /nfs/dbraw/zinc/36/18/84/1027361884.db2.gz AZZFBQBWPGECKT-NWDGAFQWSA-N 2 2 309.866 3.699 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnoc2C2CC2)C1 ZINC000362752281 1027371805 /nfs/dbraw/zinc/37/18/05/1027371805.db2.gz FNHRMLCUTLZQSK-CVEARBPZSA-N 2 2 317.477 3.638 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnoc2C2CC2)C1 ZINC000362752281 1027371812 /nfs/dbraw/zinc/37/18/12/1027371812.db2.gz FNHRMLCUTLZQSK-CVEARBPZSA-N 2 2 317.477 3.638 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnoc2C2CC2)C1 ZINC000362752281 1027371823 /nfs/dbraw/zinc/37/18/23/1027371823.db2.gz FNHRMLCUTLZQSK-CVEARBPZSA-N 2 2 317.477 3.638 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnoc2C2CC2)C1 ZINC000362752281 1027371829 /nfs/dbraw/zinc/37/18/29/1027371829.db2.gz FNHRMLCUTLZQSK-CVEARBPZSA-N 2 2 317.477 3.638 20 0 DHADLP [NH3+][C@@H]1C[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)c2ccccc21 ZINC000422918564 1027373869 /nfs/dbraw/zinc/37/38/69/1027373869.db2.gz HOZAPEYSXOUMQP-MSOLQXFVSA-N 2 2 308.429 3.629 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422948866 1027374396 /nfs/dbraw/zinc/37/43/96/1027374396.db2.gz RZYFPTMIQPKHLT-BFYDXBDKSA-N 2 2 320.477 3.665 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422948870 1027376948 /nfs/dbraw/zinc/37/69/48/1027376948.db2.gz RZYFPTMIQPKHLT-VYDXJSESSA-N 2 2 320.477 3.665 20 0 DHADLP C[C@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)[C@H]1CCC[NH2+]1 ZINC000422982275 1027385746 /nfs/dbraw/zinc/38/57/46/1027385746.db2.gz QDMCPRCAZULNJT-UAGQMJEPSA-N 2 2 300.471 3.762 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423005097 1027391374 /nfs/dbraw/zinc/39/13/74/1027391374.db2.gz QRCMMLGLKRCTGG-IRXDYDNUSA-N 2 2 316.832 3.973 20 0 DHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423116851 1027419045 /nfs/dbraw/zinc/41/90/45/1027419045.db2.gz RTKCSGFGIAOQOX-SQNIBIBYSA-N 2 2 312.388 3.556 20 0 DHADLP CSc1cccc(F)c1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423109761 1027429325 /nfs/dbraw/zinc/42/93/25/1027429325.db2.gz TVLGPMSMOLTDAQ-CXAGYDPISA-N 2 2 318.461 3.596 20 0 DHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423181137 1027441269 /nfs/dbraw/zinc/44/12/69/1027441269.db2.gz FRPUTVUOFDISNT-SJORKVTESA-N 2 2 300.471 3.682 20 0 DHADLP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1SC ZINC000423233984 1027454863 /nfs/dbraw/zinc/45/48/63/1027454863.db2.gz FFFPHTFYXZSIKC-XJKSGUPXSA-N 2 2 316.470 3.768 20 0 DHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423237631 1027456370 /nfs/dbraw/zinc/45/63/70/1027456370.db2.gz QDHWWSGEDIVRTF-NHYWBVRUSA-N 2 2 319.449 3.660 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)C2CCSCC2)cc1 ZINC000423238256 1027456480 /nfs/dbraw/zinc/45/64/80/1027456480.db2.gz IVTCHZFTVLXGSW-KSSFIOAISA-N 2 2 306.519 3.931 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1(c2ccccc2)CCCC1 ZINC000575166116 1027461651 /nfs/dbraw/zinc/46/16/51/1027461651.db2.gz YIYHOESHXYJAHS-FUHWJXTLSA-N 2 2 309.457 3.688 20 0 DHADLP CC(=O)c1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000295854272 1027461548 /nfs/dbraw/zinc/46/15/48/1027461548.db2.gz BJZSLESGISJLJV-UHFFFAOYSA-N 2 2 324.424 3.636 20 0 DHADLP [NH3+][C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C1CC1 ZINC000423322149 1027498989 /nfs/dbraw/zinc/49/89/89/1027498989.db2.gz NQUNPLOCXMDJMS-ROUUACIJSA-N 2 2 318.823 3.895 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423294632 1027500507 /nfs/dbraw/zinc/50/05/07/1027500507.db2.gz CLRNWGQVMVBQBB-DOMZBBRYSA-N 2 2 315.383 3.585 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000575828767 1027509715 /nfs/dbraw/zinc/50/97/15/1027509715.db2.gz JFSWHFDAPCAVCC-WOSRLPQWSA-N 2 2 301.821 3.804 20 0 DHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cccs2)cc1 ZINC000423329368 1027512046 /nfs/dbraw/zinc/51/20/46/1027512046.db2.gz LKYGDTVQATZNRZ-COXVUDFISA-N 2 2 316.470 3.553 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423371794 1027524699 /nfs/dbraw/zinc/52/46/99/1027524699.db2.gz FTYDNDSHVYFEBZ-ABAIWWIYSA-N 2 2 300.368 3.744 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423392301 1027532934 /nfs/dbraw/zinc/53/29/34/1027532934.db2.gz QAYPESKDFKHBCS-ABAIWWIYSA-N 2 2 316.367 3.624 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2OC ZINC000423498840 1027564314 /nfs/dbraw/zinc/56/43/14/1027564314.db2.gz ILENRRAMDZFIQZ-OALUTQOASA-N 2 2 310.441 3.535 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000423506287 1027566552 /nfs/dbraw/zinc/56/65/52/1027566552.db2.gz PBPHUXDYEYYZJY-SCLBCKFNSA-N 2 2 316.420 3.747 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000423495825 1027575490 /nfs/dbraw/zinc/57/54/90/1027575490.db2.gz CTPGSNIAVTWDIX-VQTJNVASSA-N 2 2 310.441 3.535 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCC=CO2)[C@H]1c1cccc(Cl)c1 ZINC000364604313 1027851280 /nfs/dbraw/zinc/85/12/80/1027851280.db2.gz JOXNKFLDUKYCJQ-KBAYOESNSA-N 2 2 320.864 3.615 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCC=CO2)[C@H]1c1cccc(Cl)c1 ZINC000364604313 1027851295 /nfs/dbraw/zinc/85/12/95/1027851295.db2.gz JOXNKFLDUKYCJQ-KBAYOESNSA-N 2 2 320.864 3.615 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)[C@H]1c1cccc(Cl)c1 ZINC000364604312 1027853366 /nfs/dbraw/zinc/85/33/66/1027853366.db2.gz JOXNKFLDUKYCJQ-BPQIPLTHSA-N 2 2 320.864 3.615 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)[C@H]1c1cccc(Cl)c1 ZINC000364604312 1027853380 /nfs/dbraw/zinc/85/33/80/1027853380.db2.gz JOXNKFLDUKYCJQ-BPQIPLTHSA-N 2 2 320.864 3.615 20 0 DHADLP c1cnc2c(c1)cccc2C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751703 1027875193 /nfs/dbraw/zinc/87/51/93/1027875193.db2.gz KOSKDDGAYTXODV-IBGZPJMESA-N 2 2 309.457 3.731 20 0 DHADLP c1cnc2c(c1)cccc2C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527751703 1027875212 /nfs/dbraw/zinc/87/52/12/1027875212.db2.gz KOSKDDGAYTXODV-IBGZPJMESA-N 2 2 309.457 3.731 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@H](c3ccccn3)C3CCC3)cc2)c[nH+]1 ZINC000527774405 1027888569 /nfs/dbraw/zinc/88/85/69/1027888569.db2.gz UREYOJMEGCSNTR-FQEVSTJZSA-N 2 2 318.424 3.898 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1F ZINC000527813613 1027897141 /nfs/dbraw/zinc/89/71/41/1027897141.db2.gz YRLAWKHQDJLWSJ-QGZUEGPWSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1F ZINC000527813613 1027897150 /nfs/dbraw/zinc/89/71/50/1027897150.db2.gz YRLAWKHQDJLWSJ-QGZUEGPWSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1Cl ZINC000365307117 1027922831 /nfs/dbraw/zinc/92/28/31/1027922831.db2.gz ARBXKUCTTYPCBB-NWDGAFQWSA-N 2 2 317.235 3.849 20 0 DHADLP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1Cl ZINC000365307117 1027922841 /nfs/dbraw/zinc/92/28/41/1027922841.db2.gz ARBXKUCTTYPCBB-NWDGAFQWSA-N 2 2 317.235 3.849 20 0 DHADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527945239 1027978974 /nfs/dbraw/zinc/97/89/74/1027978974.db2.gz FBXILJWGJCWPJA-NVXWUHKLSA-N 2 2 323.484 3.632 20 0 DHADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527945239 1027978987 /nfs/dbraw/zinc/97/89/87/1027978987.db2.gz FBXILJWGJCWPJA-NVXWUHKLSA-N 2 2 323.484 3.632 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(OC)c1 ZINC000528010917 1028037889 /nfs/dbraw/zinc/03/78/89/1028037889.db2.gz KOKIJBXWNCCMIB-IEBWSBKVSA-N 2 2 302.462 3.753 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(OC)c1 ZINC000528010917 1028037907 /nfs/dbraw/zinc/03/79/07/1028037907.db2.gz KOKIJBXWNCCMIB-IEBWSBKVSA-N 2 2 302.462 3.753 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000528012071 1028041523 /nfs/dbraw/zinc/04/15/23/1028041523.db2.gz NQDNCMKHOIDHRQ-BBRMVZONSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000528012071 1028041536 /nfs/dbraw/zinc/04/15/36/1028041536.db2.gz NQDNCMKHOIDHRQ-BBRMVZONSA-N 2 2 324.415 3.956 20 0 DHADLP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)[nH+]c1 ZINC000367067220 1028132472 /nfs/dbraw/zinc/13/24/72/1028132472.db2.gz QUZHOMHVLIFPJX-IEBWSBKVSA-N 2 2 324.472 3.985 20 0 DHADLP CC(C)(C)SCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367113867 1028142293 /nfs/dbraw/zinc/14/22/93/1028142293.db2.gz LTHBFNNHUJUNMT-OAHLLOKOSA-N 2 2 321.534 3.931 20 0 DHADLP CC(C)(C)SCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367113867 1028142301 /nfs/dbraw/zinc/14/23/01/1028142301.db2.gz LTHBFNNHUJUNMT-OAHLLOKOSA-N 2 2 321.534 3.931 20 0 DHADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000367372685 1028175640 /nfs/dbraw/zinc/17/56/40/1028175640.db2.gz UEQUOIDELVJMOP-WIYYLYMNSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000367372685 1028175645 /nfs/dbraw/zinc/17/56/45/1028175645.db2.gz UEQUOIDELVJMOP-WIYYLYMNSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cccnc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000367372685 1028175654 /nfs/dbraw/zinc/17/56/54/1028175654.db2.gz UEQUOIDELVJMOP-WIYYLYMNSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cccnc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000367372685 1028175660 /nfs/dbraw/zinc/17/56/60/1028175660.db2.gz UEQUOIDELVJMOP-WIYYLYMNSA-N 2 2 323.484 3.732 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc12 ZINC000367999524 1028271642 /nfs/dbraw/zinc/27/16/42/1028271642.db2.gz WKSMULYWFNVALG-ZIAGYGMSSA-N 2 2 321.424 3.780 20 0 DHADLP c1csc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)c1 ZINC000367994257 1028272622 /nfs/dbraw/zinc/27/26/22/1028272622.db2.gz KCFZSXJXOHRNMG-CXAGYDPISA-N 2 2 301.459 3.850 20 0 DHADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000367996921 1028273822 /nfs/dbraw/zinc/27/38/22/1028273822.db2.gz KGKHHNFXGMBJKX-LSTDLKDCSA-N 2 2 320.525 3.607 20 0 DHADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000367996921 1028273830 /nfs/dbraw/zinc/27/38/30/1028273830.db2.gz KGKHHNFXGMBJKX-LSTDLKDCSA-N 2 2 320.525 3.607 20 0 DHADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)cc1 ZINC000368102258 1028300221 /nfs/dbraw/zinc/30/02/21/1028300221.db2.gz XSHAKBCWDQOVKB-NQIIRXRSSA-N 2 2 317.436 3.955 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(-c2ccncc2)c1 ZINC000368100845 1028301101 /nfs/dbraw/zinc/30/11/01/1028301101.db2.gz INUOYSAMNJYWEC-KDOFPFPSSA-N 2 2 318.424 3.680 20 0 DHADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000368262616 1028326682 /nfs/dbraw/zinc/32/66/82/1028326682.db2.gz ZLJCVMQNGKGVKJ-BURNTYAHSA-N 2 2 321.468 3.562 20 0 DHADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000368262616 1028326700 /nfs/dbraw/zinc/32/67/00/1028326700.db2.gz ZLJCVMQNGKGVKJ-BURNTYAHSA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000368262616 1028326718 /nfs/dbraw/zinc/32/67/18/1028326718.db2.gz ZLJCVMQNGKGVKJ-BURNTYAHSA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000368262616 1028326738 /nfs/dbraw/zinc/32/67/38/1028326738.db2.gz ZLJCVMQNGKGVKJ-BURNTYAHSA-N 2 2 321.468 3.562 20 0 DHADLP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000449081520 1028342989 /nfs/dbraw/zinc/34/29/89/1028342989.db2.gz FXRPJRMMGWUKQJ-LBVWLFBPSA-N 2 2 322.537 3.967 20 0 DHADLP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000449081520 1028343010 /nfs/dbraw/zinc/34/30/10/1028343010.db2.gz FXRPJRMMGWUKQJ-LBVWLFBPSA-N 2 2 322.537 3.967 20 0 DHADLP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000449081519 1028345530 /nfs/dbraw/zinc/34/55/30/1028345530.db2.gz FXRPJRMMGWUKQJ-BUJABKPXSA-N 2 2 322.537 3.967 20 0 DHADLP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000449081519 1028345546 /nfs/dbraw/zinc/34/55/46/1028345546.db2.gz FXRPJRMMGWUKQJ-BUJABKPXSA-N 2 2 322.537 3.967 20 0 DHADLP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000449104155 1028354313 /nfs/dbraw/zinc/35/43/13/1028354313.db2.gz DQRKDKDCIFGNRD-PGYGNJIDSA-N 2 2 322.537 3.967 20 0 DHADLP CC(C)COc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000579300725 1028376516 /nfs/dbraw/zinc/37/65/16/1028376516.db2.gz XAAHBZAVJVQNAK-FUHWJXTLSA-N 2 2 304.478 3.636 20 0 DHADLP CC(C)COc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000579300725 1028376531 /nfs/dbraw/zinc/37/65/31/1028376531.db2.gz XAAHBZAVJVQNAK-FUHWJXTLSA-N 2 2 304.478 3.636 20 0 DHADLP CC(C)COc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000579300725 1028376544 /nfs/dbraw/zinc/37/65/44/1028376544.db2.gz XAAHBZAVJVQNAK-FUHWJXTLSA-N 2 2 304.478 3.636 20 0 DHADLP CC(C)COc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000579300725 1028376559 /nfs/dbraw/zinc/37/65/59/1028376559.db2.gz XAAHBZAVJVQNAK-FUHWJXTLSA-N 2 2 304.478 3.636 20 0 DHADLP CC1CCC([NH+]2CCC([N@H+](C)Cc3ccc(F)nc3)CC2)CC1 ZINC000368726823 1028399992 /nfs/dbraw/zinc/39/99/92/1028399992.db2.gz FPSGGIFSCZSMMG-UHFFFAOYSA-N 2 2 319.468 3.696 20 0 DHADLP CC1CCC([NH+]2CCC([N@@H+](C)Cc3ccc(F)nc3)CC2)CC1 ZINC000368726823 1028400006 /nfs/dbraw/zinc/40/00/06/1028400006.db2.gz FPSGGIFSCZSMMG-UHFFFAOYSA-N 2 2 319.468 3.696 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCC3CCCC3)[C@H](C)C2)s1 ZINC000368972673 1028429748 /nfs/dbraw/zinc/42/97/48/1028429748.db2.gz HFURKXPSNCTCFE-RDTXWAMCSA-N 2 2 321.534 3.832 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCC3CCCC3)[C@H](C)C2)s1 ZINC000368972673 1028429757 /nfs/dbraw/zinc/42/97/57/1028429757.db2.gz HFURKXPSNCTCFE-RDTXWAMCSA-N 2 2 321.534 3.832 20 0 DHADLP CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccsc1 ZINC000369112236 1028445427 /nfs/dbraw/zinc/44/54/27/1028445427.db2.gz KQVMDHFBJTWQAL-SZMVWBNQSA-N 2 2 322.518 3.680 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccco2)[C@H]1c1cccc(Cl)c1 ZINC000369336768 1028474989 /nfs/dbraw/zinc/47/49/89/1028474989.db2.gz CSFWXPGBNUKKFF-RHSMWYFYSA-N 2 2 304.821 3.716 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]Cc2ccco2)[C@H]1c1cccc(Cl)c1 ZINC000369336768 1028474993 /nfs/dbraw/zinc/47/49/93/1028474993.db2.gz CSFWXPGBNUKKFF-RHSMWYFYSA-N 2 2 304.821 3.716 20 0 DHADLP Cc1ccccc1-c1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449258688 1028482642 /nfs/dbraw/zinc/48/26/42/1028482642.db2.gz OAGHFQQVHWCUIX-SFHVURJKSA-N 2 2 317.436 3.963 20 0 DHADLP CC1CCC([NH+]2CCC([N@H+](C)CCC(F)(F)F)CC2)CC1 ZINC000369592479 1028506943 /nfs/dbraw/zinc/50/69/43/1028506943.db2.gz RILDVLJBIVETIV-UHFFFAOYSA-N 2 2 306.416 3.914 20 0 DHADLP CC1CCC([NH+]2CCC([N@@H+](C)CCC(F)(F)F)CC2)CC1 ZINC000369592479 1028506952 /nfs/dbraw/zinc/50/69/52/1028506952.db2.gz RILDVLJBIVETIV-UHFFFAOYSA-N 2 2 306.416 3.914 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000449327813 1028539029 /nfs/dbraw/zinc/53/90/29/1028539029.db2.gz CTDSOGIGERNIKX-ICSRJNTNSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000449327813 1028539040 /nfs/dbraw/zinc/53/90/40/1028539040.db2.gz CTDSOGIGERNIKX-ICSRJNTNSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000449327813 1028539051 /nfs/dbraw/zinc/53/90/51/1028539051.db2.gz CTDSOGIGERNIKX-ICSRJNTNSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000449327813 1028539060 /nfs/dbraw/zinc/53/90/60/1028539060.db2.gz CTDSOGIGERNIKX-ICSRJNTNSA-N 2 2 324.468 3.765 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)c1cccc(Cl)c1 ZINC000369881052 1028540324 /nfs/dbraw/zinc/54/03/24/1028540324.db2.gz DXJIICJMIDHJPD-HOTGVXAUSA-N 2 2 303.837 3.901 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000370494810 1028609772 /nfs/dbraw/zinc/60/97/72/1028609772.db2.gz KSPZZNRJZHJLIF-MSOLQXFVSA-N 3 2 318.509 3.518 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370659492 1028632810 /nfs/dbraw/zinc/63/28/10/1028632810.db2.gz SUXIAXJUTDHFLE-NZSAHSFTSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370659492 1028632815 /nfs/dbraw/zinc/63/28/15/1028632815.db2.gz SUXIAXJUTDHFLE-NZSAHSFTSA-N 2 2 315.505 3.708 20 0 DHADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370724198 1028643080 /nfs/dbraw/zinc/64/30/80/1028643080.db2.gz XIWXCISOTSFEHT-KANFNMMFSA-N 2 2 303.494 3.879 20 0 DHADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370724198 1028643072 /nfs/dbraw/zinc/64/30/72/1028643072.db2.gz XIWXCISOTSFEHT-KANFNMMFSA-N 2 2 303.494 3.879 20 0 DHADLP Cc1cc(Cl)ccc1C1=CC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000528740621 1028749020 /nfs/dbraw/zinc/74/90/20/1028749020.db2.gz CAMGBBXMWDXPRW-UHFFFAOYSA-N 2 2 315.848 3.714 20 0 DHADLP Cc1cc(Cl)ccc1C1=CC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000528740621 1028749036 /nfs/dbraw/zinc/74/90/36/1028749036.db2.gz CAMGBBXMWDXPRW-UHFFFAOYSA-N 2 2 315.848 3.714 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccnc2Cl)[C@@H]1c1ccccc1 ZINC000371721626 1028751093 /nfs/dbraw/zinc/75/10/93/1028751093.db2.gz AMBUPMYZHFUUCT-RDJZCZTQSA-N 2 2 315.848 3.518 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccnc2Cl)[C@@H]1c1ccccc1 ZINC000371721626 1028751103 /nfs/dbraw/zinc/75/11/03/1028751103.db2.gz AMBUPMYZHFUUCT-RDJZCZTQSA-N 2 2 315.848 3.518 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1C ZINC000371734889 1028754755 /nfs/dbraw/zinc/75/47/55/1028754755.db2.gz HPMHDVUHRHDDIP-DOTOQJQBSA-N 2 2 313.445 3.737 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000371846782 1028766122 /nfs/dbraw/zinc/76/61/22/1028766122.db2.gz GTIYGYUZENAFRB-AWEZNQCLSA-N 2 2 315.486 3.835 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000371907551 1028776721 /nfs/dbraw/zinc/77/67/21/1028776721.db2.gz QDUVVOLOPCALCH-GFCCVEGCSA-N 2 2 318.384 3.625 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000566793460 1028784562 /nfs/dbraw/zinc/78/45/62/1028784562.db2.gz IRPHQVVAAKWPGS-OXQOHEQNSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000566793460 1028784576 /nfs/dbraw/zinc/78/45/76/1028784576.db2.gz IRPHQVVAAKWPGS-OXQOHEQNSA-N 2 2 321.468 3.996 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000567255672 1028864999 /nfs/dbraw/zinc/86/49/99/1028864999.db2.gz JSMLYYVHQQMCTC-OALUTQOASA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000567255672 1028865012 /nfs/dbraw/zinc/86/50/12/1028865012.db2.gz JSMLYYVHQQMCTC-OALUTQOASA-N 2 2 316.395 3.890 20 0 DHADLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000372950408 1028924392 /nfs/dbraw/zinc/92/43/92/1028924392.db2.gz QHUIUXWWUXCINV-AWEZNQCLSA-N 2 2 319.836 3.521 20 0 DHADLP Cc1cncc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000372926067 1028924669 /nfs/dbraw/zinc/92/46/69/1028924669.db2.gz SDEOHSBACXSQKE-WIYYLYMNSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cncc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000372926067 1028924685 /nfs/dbraw/zinc/92/46/85/1028924685.db2.gz SDEOHSBACXSQKE-WIYYLYMNSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cncc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000372926067 1028924699 /nfs/dbraw/zinc/92/46/99/1028924699.db2.gz SDEOHSBACXSQKE-WIYYLYMNSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cncc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000372926067 1028924712 /nfs/dbraw/zinc/92/47/12/1028924712.db2.gz SDEOHSBACXSQKE-WIYYLYMNSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1nc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000628217707 1028945977 /nfs/dbraw/zinc/94/59/77/1028945977.db2.gz HNFLFTNVUAZSMT-RHSMWYFYSA-N 2 2 319.474 3.526 20 0 DHADLP Cc1nc(C)c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000628217707 1028945991 /nfs/dbraw/zinc/94/59/91/1028945991.db2.gz HNFLFTNVUAZSMT-RHSMWYFYSA-N 2 2 319.474 3.526 20 0 DHADLP CC[C@@H](C)[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373482329 1029056770 /nfs/dbraw/zinc/05/67/70/1029056770.db2.gz GNAOKCYDESKWMM-HGWMRPEMSA-N 2 2 306.416 3.816 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000568793097 1029126440 /nfs/dbraw/zinc/12/64/40/1029126440.db2.gz XUHJGMWUSGTWRQ-CZUORRHYSA-N 2 2 315.848 3.809 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000568793097 1029126447 /nfs/dbraw/zinc/12/64/47/1029126447.db2.gz XUHJGMWUSGTWRQ-CZUORRHYSA-N 2 2 315.848 3.809 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCSC4(CCC4)CC3)cc2)c[nH+]1 ZINC000411864471 1029225817 /nfs/dbraw/zinc/22/58/17/1029225817.db2.gz DXZJGJYVIAUADY-UHFFFAOYSA-N 2 2 313.470 3.734 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCSC4(CCC4)CC3)cc2)c[nH+]1 ZINC000411864471 1029225825 /nfs/dbraw/zinc/22/58/25/1029225825.db2.gz DXZJGJYVIAUADY-UHFFFAOYSA-N 2 2 313.470 3.734 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(SC(F)F)cc1 ZINC000817966985 1029307274 /nfs/dbraw/zinc/30/72/74/1029307274.db2.gz BCXQNWCIXNKJMK-COPLHBTASA-N 2 2 300.418 3.650 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629660621 1029412033 /nfs/dbraw/zinc/41/20/33/1029412033.db2.gz WNQBFUFXWBYXTJ-CRAIPNDOSA-N 2 2 310.441 3.592 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450379699 1029420290 /nfs/dbraw/zinc/42/02/90/1029420290.db2.gz OQXSKOCHJKYVSH-LSDHHAIUSA-N 2 2 311.420 3.908 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450379699 1029420299 /nfs/dbraw/zinc/42/02/99/1029420299.db2.gz OQXSKOCHJKYVSH-LSDHHAIUSA-N 2 2 311.420 3.908 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374859351 1029479727 /nfs/dbraw/zinc/47/97/27/1029479727.db2.gz WGXYKXJWPFELMX-HZPDHXFCSA-N 2 2 312.413 3.788 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374859351 1029479732 /nfs/dbraw/zinc/47/97/32/1029479732.db2.gz WGXYKXJWPFELMX-HZPDHXFCSA-N 2 2 312.413 3.788 20 0 DHADLP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450491080 1029512707 /nfs/dbraw/zinc/51/27/07/1029512707.db2.gz VVRVTKHTMDDIEH-LBPRGKRZSA-N 2 2 321.827 3.948 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450631939 1029588206 /nfs/dbraw/zinc/58/82/06/1029588206.db2.gz JCTNAIYJRLCXPO-AJWDXOCTSA-N 2 2 309.457 3.778 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450631939 1029588216 /nfs/dbraw/zinc/58/82/16/1029588216.db2.gz JCTNAIYJRLCXPO-AJWDXOCTSA-N 2 2 309.457 3.778 20 0 DHADLP Clc1cccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000450788039 1029651194 /nfs/dbraw/zinc/65/11/94/1029651194.db2.gz SMHDQCUNKXJFKL-INIZCTEOSA-N 2 2 315.848 3.862 20 0 DHADLP Clc1cccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000450788039 1029651204 /nfs/dbraw/zinc/65/12/04/1029651204.db2.gz SMHDQCUNKXJFKL-INIZCTEOSA-N 2 2 315.848 3.862 20 0 DHADLP C[NH+](CCC[N@@H+](C)C[C@H]1CCCCC1(F)F)Cc1ccco1 ZINC000450993326 1029756080 /nfs/dbraw/zinc/75/60/80/1029756080.db2.gz VBKXOTFWEOWGNY-OAHLLOKOSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@H+](C)C[C@H]1CCCCC1(F)F)Cc1ccco1 ZINC000450993326 1029756087 /nfs/dbraw/zinc/75/60/87/1029756087.db2.gz VBKXOTFWEOWGNY-OAHLLOKOSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H]1CCCCC1(F)F ZINC000450993326 1029756094 /nfs/dbraw/zinc/75/60/94/1029756094.db2.gz VBKXOTFWEOWGNY-OAHLLOKOSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H]1CCCCC1(F)F ZINC000450993326 1029756099 /nfs/dbraw/zinc/75/60/99/1029756099.db2.gz VBKXOTFWEOWGNY-OAHLLOKOSA-N 2 2 314.420 3.859 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1Oc1cccnc1 ZINC000530176502 1029773737 /nfs/dbraw/zinc/77/37/37/1029773737.db2.gz BNPDWKRFSNEVHW-LJQANCHMSA-N 2 2 323.440 3.557 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC000821872824 1029881681 /nfs/dbraw/zinc/88/16/81/1029881681.db2.gz NILQYTXKFDHKTB-INIZCTEOSA-N 2 2 303.409 3.992 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC000821872824 1029881686 /nfs/dbraw/zinc/88/16/86/1029881686.db2.gz NILQYTXKFDHKTB-INIZCTEOSA-N 2 2 303.409 3.992 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377288 1030020986 /nfs/dbraw/zinc/02/09/86/1030020986.db2.gz HWFGSAINXRSUKY-XHDPSFHLSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377288 1030021006 /nfs/dbraw/zinc/02/10/06/1030021006.db2.gz HWFGSAINXRSUKY-XHDPSFHLSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377288 1030021020 /nfs/dbraw/zinc/02/10/20/1030021020.db2.gz HWFGSAINXRSUKY-XHDPSFHLSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377288 1030021039 /nfs/dbraw/zinc/02/10/39/1030021039.db2.gz HWFGSAINXRSUKY-XHDPSFHLSA-N 2 2 318.358 3.617 20 0 DHADLP FC(F)(F)[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000865832169 1030048191 /nfs/dbraw/zinc/04/81/91/1030048191.db2.gz JYGJHYOCBXGEDC-HZPDHXFCSA-N 2 2 321.346 3.859 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000924650745 1030152229 /nfs/dbraw/zinc/15/22/29/1030152229.db2.gz UEWGHOMURXTITQ-LAUBAEHRSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000924650745 1030152236 /nfs/dbraw/zinc/15/22/36/1030152236.db2.gz UEWGHOMURXTITQ-LAUBAEHRSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1cccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)c1 ZINC000924651449 1030152691 /nfs/dbraw/zinc/15/26/91/1030152691.db2.gz XKTVKYPQLWLGSU-UTKZUKDTSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1cccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccn2)c1 ZINC000924651449 1030152699 /nfs/dbraw/zinc/15/26/99/1030152699.db2.gz XKTVKYPQLWLGSU-UTKZUKDTSA-N 2 2 321.468 3.553 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866214566 1030163419 /nfs/dbraw/zinc/16/34/19/1030163419.db2.gz DSAFMANOPSNJTI-LLVKDONJSA-N 2 2 307.825 3.616 20 0 DHADLP C[C@H](CCc1cccnc1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000866212173 1030163769 /nfs/dbraw/zinc/16/37/69/1030163769.db2.gz DUNQVZCWWFMRCZ-NQIIRXRSSA-N 2 2 323.484 3.829 20 0 DHADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2cccnc2)c2cc(C)cc(C)c2)C1 ZINC000924704482 1030166444 /nfs/dbraw/zinc/16/64/44/1030166444.db2.gz FPFMSVXQMHGWPW-GHTZIAJQSA-N 2 2 323.484 3.719 20 0 DHADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2cccnc2)c2cc(C)cc(C)c2)C1 ZINC000924704482 1030166455 /nfs/dbraw/zinc/16/64/55/1030166455.db2.gz FPFMSVXQMHGWPW-GHTZIAJQSA-N 2 2 323.484 3.719 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccnn1C1CCC1 ZINC000924727586 1030173771 /nfs/dbraw/zinc/17/37/71/1030173771.db2.gz BVVQBZGZZDEBHA-PBHICJAKSA-N 2 2 315.465 3.570 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924749833 1030180130 /nfs/dbraw/zinc/18/01/30/1030180130.db2.gz BIEABJMXLXWAEQ-CVEARBPZSA-N 2 2 313.445 3.724 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924749833 1030180138 /nfs/dbraw/zinc/18/01/38/1030180138.db2.gz BIEABJMXLXWAEQ-CVEARBPZSA-N 2 2 313.445 3.724 20 0 DHADLP c1cn(-c2ccccc2C[NH2+][C@H](c2ccccn2)C2CCC2)c[nH+]1 ZINC000924768321 1030182846 /nfs/dbraw/zinc/18/28/46/1030182846.db2.gz FFBDPKRVHVUKBP-FQEVSTJZSA-N 2 2 318.424 3.898 20 0 DHADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000866261730 1030184781 /nfs/dbraw/zinc/18/47/81/1030184781.db2.gz WGBAFGCLHMUCKY-HOTGVXAUSA-N 2 2 311.473 3.628 20 0 DHADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000866261730 1030184789 /nfs/dbraw/zinc/18/47/89/1030184789.db2.gz WGBAFGCLHMUCKY-HOTGVXAUSA-N 2 2 311.473 3.628 20 0 DHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2oc3ccccc3c2C)CC1 ZINC000357796701 1030196532 /nfs/dbraw/zinc/19/65/32/1030196532.db2.gz RKVJGUKZWHZVLY-OAHLLOKOSA-N 2 2 316.445 3.503 20 0 DHADLP CCc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000925012373 1030247670 /nfs/dbraw/zinc/24/76/70/1030247670.db2.gz UYTSCBPASBYRLA-WIYYLYMNSA-N 2 2 323.484 3.665 20 0 DHADLP CCc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000925012373 1030247675 /nfs/dbraw/zinc/24/76/75/1030247675.db2.gz UYTSCBPASBYRLA-WIYYLYMNSA-N 2 2 323.484 3.665 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccns1 ZINC000925132685 1030281775 /nfs/dbraw/zinc/28/17/75/1030281775.db2.gz AVPATSHKFJEVIH-ZENOOKHLSA-N 2 2 321.515 3.938 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccns1 ZINC000925132685 1030281790 /nfs/dbraw/zinc/28/17/90/1030281790.db2.gz AVPATSHKFJEVIH-ZENOOKHLSA-N 2 2 321.515 3.938 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000925142582 1030283154 /nfs/dbraw/zinc/28/31/54/1030283154.db2.gz OULSYYGEWCSGHR-UHOSZYNNSA-N 2 2 312.457 3.944 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000925142582 1030283164 /nfs/dbraw/zinc/28/31/64/1030283164.db2.gz OULSYYGEWCSGHR-UHOSZYNNSA-N 2 2 312.457 3.944 20 0 DHADLP CCc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccnc2)cc1 ZINC000925138132 1030285305 /nfs/dbraw/zinc/28/53/05/1030285305.db2.gz BSYNUCWMDBYILF-NDXORKPFSA-N 2 2 323.484 3.806 20 0 DHADLP CCc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccnc2)cc1 ZINC000925138132 1030285320 /nfs/dbraw/zinc/28/53/20/1030285320.db2.gz BSYNUCWMDBYILF-NDXORKPFSA-N 2 2 323.484 3.806 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(-c2ccccc2)no1 ZINC000925217086 1030309124 /nfs/dbraw/zinc/30/91/24/1030309124.db2.gz LYGIFONMCMDQEB-BHYGNILZSA-N 2 2 313.445 3.865 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(-c2cccnc2)cc1 ZINC000925528330 1030387617 /nfs/dbraw/zinc/38/76/17/1030387617.db2.gz DNISIVXMVANPPH-DNVCBOLYSA-N 2 2 307.441 3.684 20 0 DHADLP CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000358232385 1030391438 /nfs/dbraw/zinc/39/14/38/1030391438.db2.gz CDWBJONHOBVRQX-LSBZLQRGSA-N 2 2 313.445 3.727 20 0 DHADLP CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000358232386 1030392547 /nfs/dbraw/zinc/39/25/47/1030392547.db2.gz CDWBJONHOBVRQX-POZUXBRTSA-N 2 2 313.445 3.727 20 0 DHADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccccc1 ZINC000925653207 1030440636 /nfs/dbraw/zinc/44/06/36/1030440636.db2.gz KHYXXEYJEIFNGX-WFXMLNOXSA-N 2 2 323.484 3.581 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Oc2cccnc2)cc1 ZINC000925669495 1030447344 /nfs/dbraw/zinc/44/73/44/1030447344.db2.gz UNKSHTWKFFKTAU-DNVCBOLYSA-N 2 2 323.440 3.809 20 0 DHADLP Cc1[nH+]cn(-c2ccc(NC3CC[NH+](C(C)C)CC3)cc2)c1C ZINC000291318517 1030450848 /nfs/dbraw/zinc/45/08/48/1030450848.db2.gz SINPYDWHNVBTPH-UHFFFAOYSA-N 2 2 312.461 3.774 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1 ZINC000925691655 1030455095 /nfs/dbraw/zinc/45/50/95/1030455095.db2.gz JJFRVFHXXFSXDW-IYWMVGAKSA-N 2 2 316.489 3.605 20 0 DHADLP CCC[C@H](c1ccccc1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752460 1030479272 /nfs/dbraw/zinc/47/92/72/1030479272.db2.gz VTAWPBUQOHQCTQ-OAHLLOKOSA-N 2 2 301.459 3.501 20 0 DHADLP CCC[C@H](c1ccccc1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752460 1030479279 /nfs/dbraw/zinc/47/92/79/1030479279.db2.gz VTAWPBUQOHQCTQ-OAHLLOKOSA-N 2 2 301.459 3.501 20 0 DHADLP CCC1([NH3+])CC[NH+]([C@@H](C)c2sccc2Br)CC1 ZINC000925756629 1030482468 /nfs/dbraw/zinc/48/24/68/1030482468.db2.gz NJNSZEKIZJKYGL-JTQLQIEISA-N 2 2 317.296 3.775 20 0 DHADLP CC[C@H]1CC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000558255164 1030500476 /nfs/dbraw/zinc/50/04/76/1030500476.db2.gz KQISALMAKNQDPE-LLGZUXRYSA-N 2 2 304.400 3.570 20 0 DHADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H](c3ccccn3)C3CC3)CC[NH2+]2)cc1 ZINC000925820473 1030510049 /nfs/dbraw/zinc/51/00/49/1030510049.db2.gz FSDUGLYHONNDDW-YSIASYRMSA-N 2 2 307.441 3.616 20 0 DHADLP C[N@H+](C1CC1)C1CC[NH+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171055343 1030553046 /nfs/dbraw/zinc/55/30/46/1030553046.db2.gz FKCOJAIWGMYKAI-KRWDZBQOSA-N 2 2 318.892 3.756 20 0 DHADLP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171055343 1030553051 /nfs/dbraw/zinc/55/30/51/1030553051.db2.gz FKCOJAIWGMYKAI-KRWDZBQOSA-N 2 2 318.892 3.756 20 0 DHADLP CCc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000558413704 1030564525 /nfs/dbraw/zinc/56/45/25/1030564525.db2.gz ONOYDHMUKHIXLQ-NRFANRHFSA-N 2 2 324.468 3.940 20 0 DHADLP CCc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000558413704 1030564532 /nfs/dbraw/zinc/56/45/32/1030564532.db2.gz ONOYDHMUKHIXLQ-NRFANRHFSA-N 2 2 324.468 3.940 20 0 DHADLP CCc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000558413704 1030564539 /nfs/dbraw/zinc/56/45/39/1030564539.db2.gz ONOYDHMUKHIXLQ-NRFANRHFSA-N 2 2 324.468 3.940 20 0 DHADLP CCc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000558413704 1030564545 /nfs/dbraw/zinc/56/45/45/1030564545.db2.gz ONOYDHMUKHIXLQ-NRFANRHFSA-N 2 2 324.468 3.940 20 0 DHADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CCO2)cc1 ZINC000926180138 1030643315 /nfs/dbraw/zinc/64/33/15/1030643315.db2.gz ILSXLRDWYFTKNJ-FYQPLNBISA-N 2 2 314.473 3.513 20 0 DHADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CCO2)cc1 ZINC000926180138 1030643320 /nfs/dbraw/zinc/64/33/20/1030643320.db2.gz ILSXLRDWYFTKNJ-FYQPLNBISA-N 2 2 314.473 3.513 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1OCC ZINC000247981500 1030716817 /nfs/dbraw/zinc/71/68/17/1030716817.db2.gz MVADIYHXPDOJJH-NVXWUHKLSA-N 2 2 320.477 3.619 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)cc1OCC ZINC000247981500 1030716823 /nfs/dbraw/zinc/71/68/23/1030716823.db2.gz MVADIYHXPDOJJH-NVXWUHKLSA-N 2 2 320.477 3.619 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC000248065165 1030716906 /nfs/dbraw/zinc/71/69/06/1030716906.db2.gz ZHGKJSWBSBDLAC-YLJYHZDGSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC000248065165 1030716923 /nfs/dbraw/zinc/71/69/23/1030716923.db2.gz ZHGKJSWBSBDLAC-YLJYHZDGSA-N 2 2 315.505 3.852 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cncc(Cl)c1 ZINC001136996305 1030742054 /nfs/dbraw/zinc/74/20/54/1030742054.db2.gz ABXPYNXLSJIOPV-IRXDYDNUSA-N 2 2 307.869 3.574 20 0 DHADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cncc(Cl)c1 ZINC001136996305 1030742063 /nfs/dbraw/zinc/74/20/63/1030742063.db2.gz ABXPYNXLSJIOPV-IRXDYDNUSA-N 2 2 307.869 3.574 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cncc(Cl)c1 ZINC001136996305 1030742074 /nfs/dbraw/zinc/74/20/74/1030742074.db2.gz ABXPYNXLSJIOPV-IRXDYDNUSA-N 2 2 307.869 3.574 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cncc(Cl)c1 ZINC001136996305 1030742090 /nfs/dbraw/zinc/74/20/90/1030742090.db2.gz ABXPYNXLSJIOPV-IRXDYDNUSA-N 2 2 307.869 3.574 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000926762767 1030909039 /nfs/dbraw/zinc/90/90/39/1030909039.db2.gz PEJDLMNDIGXAKI-DNVCBOLYSA-N 2 2 316.489 3.582 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000926762767 1030909045 /nfs/dbraw/zinc/90/90/45/1030909045.db2.gz PEJDLMNDIGXAKI-DNVCBOLYSA-N 2 2 316.489 3.582 20 0 DHADLP CC(C)(C)c1ncc(C[N@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000359476922 1030986496 /nfs/dbraw/zinc/98/64/96/1030986496.db2.gz UOSMNVZFOORMAR-UHFFFAOYSA-N 2 2 317.502 3.792 20 0 DHADLP CC(C)(C)c1ncc(C[N@@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000359476922 1030986509 /nfs/dbraw/zinc/98/65/09/1030986509.db2.gz UOSMNVZFOORMAR-UHFFFAOYSA-N 2 2 317.502 3.792 20 0 DHADLP CC(C)O[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000292591808 1031085255 /nfs/dbraw/zinc/08/52/55/1031085255.db2.gz VEYYQYSREXBZHE-BHIYHBOVSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)O[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000292591808 1031085275 /nfs/dbraw/zinc/08/52/75/1031085275.db2.gz VEYYQYSREXBZHE-BHIYHBOVSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)O[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000292591808 1031085292 /nfs/dbraw/zinc/08/52/92/1031085292.db2.gz VEYYQYSREXBZHE-BHIYHBOVSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)O[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000292591808 1031085309 /nfs/dbraw/zinc/08/53/09/1031085309.db2.gz VEYYQYSREXBZHE-BHIYHBOVSA-N 2 2 304.478 3.567 20 0 DHADLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1C ZINC000927111436 1031093726 /nfs/dbraw/zinc/09/37/26/1031093726.db2.gz ZGWKLZGLKFAXCU-MJGOQNOKSA-N 2 2 316.489 3.516 20 0 DHADLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1C ZINC000927111436 1031093745 /nfs/dbraw/zinc/09/37/45/1031093745.db2.gz ZGWKLZGLKFAXCU-MJGOQNOKSA-N 2 2 316.489 3.516 20 0 DHADLP CCc1onc(C)c1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000927136229 1031112856 /nfs/dbraw/zinc/11/28/56/1031112856.db2.gz BREIGERBOYYCLT-UHFFFAOYSA-N 2 2 319.493 3.680 20 0 DHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171129385 1031182538 /nfs/dbraw/zinc/18/25/38/1031182538.db2.gz LMACKKDPSJZWAG-SFHVURJKSA-N 2 2 306.881 3.613 20 0 DHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171129385 1031182545 /nfs/dbraw/zinc/18/25/45/1031182545.db2.gz LMACKKDPSJZWAG-SFHVURJKSA-N 2 2 306.881 3.613 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1F)CCC2 ZINC000359951782 1031217020 /nfs/dbraw/zinc/21/70/20/1031217020.db2.gz DRAOOQMTOVASQD-OLZOCXBDSA-N 2 2 305.372 3.698 20 0 DHADLP COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000536680026 1031377455 /nfs/dbraw/zinc/37/74/55/1031377455.db2.gz WWYYHWMOLFGBGA-AZUAARDMSA-N 2 2 322.452 3.546 20 0 DHADLP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000536680026 1031377468 /nfs/dbraw/zinc/37/74/68/1031377468.db2.gz WWYYHWMOLFGBGA-AZUAARDMSA-N 2 2 322.452 3.546 20 0 DHADLP FC1(F)CCCC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000293231531 1031389838 /nfs/dbraw/zinc/38/98/38/1031389838.db2.gz AWFHKFWJUOZPOL-OAHLLOKOSA-N 2 2 323.431 3.856 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@@H]1CCCOC1 ZINC000872033507 1031416151 /nfs/dbraw/zinc/41/61/51/1031416151.db2.gz DDYFITUREPXLGD-QRQLOZEOSA-N 2 2 318.505 3.911 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929747284 1031596942 /nfs/dbraw/zinc/59/69/42/1031596942.db2.gz CPDLQAAHRLGODO-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929747284 1031596949 /nfs/dbraw/zinc/59/69/49/1031596949.db2.gz CPDLQAAHRLGODO-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CC(C)=CCC[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000537456758 1031618656 /nfs/dbraw/zinc/61/86/56/1031618656.db2.gz XOXPUKTURZKAMZ-AEFFLSMTSA-N 2 2 316.493 3.769 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCc1ccsc1)CCC2 ZINC000360966987 1031648799 /nfs/dbraw/zinc/64/87/99/1031648799.db2.gz SXVMNJABPKAVBY-CZUORRHYSA-N 2 2 303.475 3.741 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCc2c(F)cc(F)cc21)c1c[nH+]ccc1N ZINC000643491461 1031791745 /nfs/dbraw/zinc/79/17/45/1031791745.db2.gz WUEMMNISSGBKHP-BMLIUANNSA-N 2 2 303.356 3.501 20 0 DHADLP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1(C)C ZINC000361240015 1031809755 /nfs/dbraw/zinc/80/97/55/1031809755.db2.gz ZNERXNRMHJQELY-MSOLQXFVSA-N 2 2 313.445 3.554 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000361246224 1031810839 /nfs/dbraw/zinc/81/08/39/1031810839.db2.gz NLMKUTOPKITUPF-AWEZNQCLSA-N 2 2 310.507 3.506 20 0 DHADLP CC(C)Oc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897981629 1031910753 /nfs/dbraw/zinc/91/07/53/1031910753.db2.gz PCTGVQMZVPQCAF-UHFFFAOYSA-N 2 2 302.462 3.580 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000361601063 1032008523 /nfs/dbraw/zinc/00/85/23/1032008523.db2.gz IKRGGEQZIKDXEZ-GFCCVEGCSA-N 2 2 309.866 3.590 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000361601063 1032008535 /nfs/dbraw/zinc/00/85/35/1032008535.db2.gz IKRGGEQZIKDXEZ-GFCCVEGCSA-N 2 2 309.866 3.590 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1cccc(OC)c1 ZINC000361665791 1032044136 /nfs/dbraw/zinc/04/41/36/1032044136.db2.gz ZJSNTKBGEKVYEN-AEFFLSMTSA-N 2 2 313.445 3.818 20 0 DHADLP CC1(C)CC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC(C)(C)O1 ZINC001172657126 1033308950 /nfs/dbraw/zinc/30/89/50/1033308950.db2.gz VCCOBQHLNRAVFM-UHFFFAOYSA-N 2 2 318.461 3.661 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)CC2 ZINC001172828469 1033393828 /nfs/dbraw/zinc/39/38/28/1033393828.db2.gz UCMVYELETHDWLE-IBGZPJMESA-N 2 2 322.452 3.791 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(-c2ccncc2)c1 ZINC000151161977 1033424714 /nfs/dbraw/zinc/42/47/14/1033424714.db2.gz RWPYJJVKEFGYDO-INIZCTEOSA-N 2 2 306.413 3.686 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172871165 1033442705 /nfs/dbraw/zinc/44/27/05/1033442705.db2.gz IOVSIFAQZZZDLX-ZDUSSCGKSA-N 2 2 309.816 3.629 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172871165 1033442709 /nfs/dbraw/zinc/44/27/09/1033442709.db2.gz IOVSIFAQZZZDLX-ZDUSSCGKSA-N 2 2 309.816 3.629 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001172884259 1033457927 /nfs/dbraw/zinc/45/79/27/1033457927.db2.gz ZVBUZIUFQFJKNC-CPUCHLNUSA-N 2 2 324.921 3.847 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001172884259 1033457934 /nfs/dbraw/zinc/45/79/34/1033457934.db2.gz ZVBUZIUFQFJKNC-CPUCHLNUSA-N 2 2 324.921 3.847 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001172884259 1033457942 /nfs/dbraw/zinc/45/79/42/1033457942.db2.gz ZVBUZIUFQFJKNC-CPUCHLNUSA-N 2 2 324.921 3.847 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001172884259 1033457950 /nfs/dbraw/zinc/45/79/50/1033457950.db2.gz ZVBUZIUFQFJKNC-CPUCHLNUSA-N 2 2 324.921 3.847 20 0 DHADLP CO[C@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)C1 ZINC001172919755 1033467497 /nfs/dbraw/zinc/46/74/97/1033467497.db2.gz XDMNFMGVZNIUGO-PLACYPQZSA-N 2 2 324.468 3.975 20 0 DHADLP Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2[nH+]1 ZINC001212692222 1033482739 /nfs/dbraw/zinc/48/27/39/1033482739.db2.gz HXVOOENFNBTEII-UHFFFAOYSA-N 2 2 314.392 3.954 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000152613894 1033531708 /nfs/dbraw/zinc/53/17/08/1033531708.db2.gz FNFURSBYPKHDNU-OLZOCXBDSA-N 2 2 305.491 3.718 20 0 DHADLP COc1ccc2oc([C@@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)c(C)c2c1 ZINC000153634183 1033586271 /nfs/dbraw/zinc/58/62/71/1033586271.db2.gz USTPBUBDAZHBRQ-BPLDGKMQSA-N 2 2 316.445 3.883 20 0 DHADLP COc1ccc2oc([C@@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c(C)c2c1 ZINC000153634183 1033586279 /nfs/dbraw/zinc/58/62/79/1033586279.db2.gz USTPBUBDAZHBRQ-BPLDGKMQSA-N 2 2 316.445 3.883 20 0 DHADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CC[C@H](c4ccccc4)O3)CC2)[nH]1 ZINC000878172726 1033611142 /nfs/dbraw/zinc/61/11/42/1033611142.db2.gz LNVDJPKDBUZEGY-QZTJIDSGSA-N 2 2 311.429 3.509 20 0 DHADLP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC001173263204 1033635488 /nfs/dbraw/zinc/63/54/88/1033635488.db2.gz GWGZOWXBTGJOPG-QFBILLFUSA-N 2 2 316.489 3.828 20 0 DHADLP CC[C@@H]1CC[C@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001173278715 1033669192 /nfs/dbraw/zinc/66/91/92/1033669192.db2.gz MOPJIMPYLSYHFS-BBWFWOEESA-N 2 2 318.509 3.679 20 0 DHADLP CC[C@@H]1CC[C@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001173278715 1033669199 /nfs/dbraw/zinc/66/91/99/1033669199.db2.gz MOPJIMPYLSYHFS-BBWFWOEESA-N 2 2 318.509 3.679 20 0 DHADLP CC[C@@H]1CC[C@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001173278715 1033669211 /nfs/dbraw/zinc/66/92/11/1033669211.db2.gz MOPJIMPYLSYHFS-BBWFWOEESA-N 2 2 318.509 3.679 20 0 DHADLP CC[C@@H]1CC[C@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001173278715 1033669234 /nfs/dbraw/zinc/66/92/34/1033669234.db2.gz MOPJIMPYLSYHFS-BBWFWOEESA-N 2 2 318.509 3.679 20 0 DHADLP Cc1[nH+]c2c(n1[C@@H]1CCCC3(CCCCC3)C1)CC[NH2+]CC2 ZINC001173346751 1033702812 /nfs/dbraw/zinc/70/28/12/1033702812.db2.gz QIXNTNLZVAUQKL-MRXNPFEDSA-N 2 2 301.478 3.945 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878523107 1033736452 /nfs/dbraw/zinc/73/64/52/1033736452.db2.gz XHLRWHZIQFHQLE-QGZVFWFLSA-N 2 2 318.461 3.581 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1C ZINC000667494451 1033768694 /nfs/dbraw/zinc/76/86/94/1033768694.db2.gz BDDLRSFITBRBGP-NRFANRHFSA-N 2 2 317.436 3.876 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1C ZINC000667494451 1033768709 /nfs/dbraw/zinc/76/87/09/1033768709.db2.gz BDDLRSFITBRBGP-NRFANRHFSA-N 2 2 317.436 3.876 20 0 DHADLP CC(C)[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1cccc(F)c1 ZINC000667503578 1033797538 /nfs/dbraw/zinc/79/75/38/1033797538.db2.gz PWENVAJEXGJMAR-UHFFFAOYSA-N 2 2 324.403 3.817 20 0 DHADLP CC(C)[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1cccc(F)c1 ZINC000667503578 1033797550 /nfs/dbraw/zinc/79/75/50/1033797550.db2.gz PWENVAJEXGJMAR-UHFFFAOYSA-N 2 2 324.403 3.817 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173685703 1033830931 /nfs/dbraw/zinc/83/09/31/1033830931.db2.gz AIQTWZFEGXQEKU-OBXNSHGQSA-N 2 2 312.501 3.886 20 0 DHADLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173685703 1033830943 /nfs/dbraw/zinc/83/09/43/1033830943.db2.gz AIQTWZFEGXQEKU-OBXNSHGQSA-N 2 2 312.501 3.886 20 0 DHADLP C[C@@H]1C[C@@H](n2c[nH+]c3c2CCCC3)C[N@H+](Cc2ccccc2)C1 ZINC000862430583 1033850237 /nfs/dbraw/zinc/85/02/37/1033850237.db2.gz AWWQHSUMFRFNQR-SJLPKXTDSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@@H]1C[C@@H](n2c[nH+]c3c2CCCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000862430583 1033850251 /nfs/dbraw/zinc/85/02/51/1033850251.db2.gz AWWQHSUMFRFNQR-SJLPKXTDSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@H]1C[C@H](n2c[nH+]c3c2CCCC3)C[N@H+](Cc2ccccc2)C1 ZINC000862430584 1033850582 /nfs/dbraw/zinc/85/05/82/1033850582.db2.gz AWWQHSUMFRFNQR-WMZOPIPTSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@H]1C[C@H](n2c[nH+]c3c2CCCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000862430584 1033850588 /nfs/dbraw/zinc/85/05/88/1033850588.db2.gz AWWQHSUMFRFNQR-WMZOPIPTSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccnn1C1CCC1 ZINC000924727593 1033893399 /nfs/dbraw/zinc/89/33/99/1033893399.db2.gz BVVQBZGZZDEBHA-YOEHRIQHSA-N 2 2 315.465 3.570 20 0 DHADLP c1cn(CCCC[NH2+]C2CC(Sc3ccccc3)C2)c[nH+]1 ZINC000924731637 1033988537 /nfs/dbraw/zinc/98/85/37/1033988537.db2.gz JSLVCTUYZLVDRU-UHFFFAOYSA-N 2 2 301.459 3.576 20 0 DHADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000863545935 1034125463 /nfs/dbraw/zinc/12/54/63/1034125463.db2.gz BQZXRGMJKCFCET-COLVAYQJSA-N 2 2 312.429 3.719 20 0 DHADLP C[C@@H](c1cccnc1)[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020054 1034186850 /nfs/dbraw/zinc/18/68/50/1034186850.db2.gz BPIKUBFZIYXVBG-DZFGPLHGSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H](c1cccnc1)[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020054 1034186854 /nfs/dbraw/zinc/18/68/54/1034186854.db2.gz BPIKUBFZIYXVBG-DZFGPLHGSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H](c1cccnc1)[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020054 1034186856 /nfs/dbraw/zinc/18/68/56/1034186856.db2.gz BPIKUBFZIYXVBG-DZFGPLHGSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H](c1cccnc1)[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020054 1034186861 /nfs/dbraw/zinc/18/68/61/1034186861.db2.gz BPIKUBFZIYXVBG-DZFGPLHGSA-N 2 2 321.468 3.597 20 0 DHADLP F[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000554582951 1034229164 /nfs/dbraw/zinc/22/91/64/1034229164.db2.gz OEKRTXMRDMFKBM-HXUWFJFHSA-N 2 2 321.399 3.943 20 0 DHADLP F[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000554582951 1034229174 /nfs/dbraw/zinc/22/91/74/1034229174.db2.gz OEKRTXMRDMFKBM-HXUWFJFHSA-N 2 2 321.399 3.943 20 0 DHADLP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000178587200 1034251507 /nfs/dbraw/zinc/25/15/07/1034251507.db2.gz UVIVPZJESPDWFE-GFCCVEGCSA-N 2 2 312.442 3.796 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+](CCc2csc(C)n2)CC1 ZINC000880255647 1034266526 /nfs/dbraw/zinc/26/65/26/1034266526.db2.gz SVTFKPXXDIXSIU-UHFFFAOYSA-N 2 2 321.534 3.725 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2scnc2C)CC1 ZINC000880254717 1034268399 /nfs/dbraw/zinc/26/83/99/1034268399.db2.gz LVLFSWZGQXAIAF-UHFFFAOYSA-N 2 2 307.507 3.682 20 0 DHADLP c1cn(C[C@@H]([NH2+]CCCc2ccsc2)c2ccccc2)c[nH+]1 ZINC000880570199 1034362275 /nfs/dbraw/zinc/36/22/75/1034362275.db2.gz UOKSKCAOWNRZAZ-GOSISDBHSA-N 2 2 311.454 3.908 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629521166 1034370640 /nfs/dbraw/zinc/37/06/40/1034370640.db2.gz RKSQFGPVMSMVBG-KBPBESRZSA-N 2 2 311.256 3.855 20 0 DHADLP Clc1ccc2sc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000339069904 1034388343 /nfs/dbraw/zinc/38/83/43/1034388343.db2.gz YNPUGUXAKZMINM-STQMWFEESA-N 2 2 321.877 3.666 20 0 DHADLP Clc1ccc2sc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000339069904 1034388356 /nfs/dbraw/zinc/38/83/56/1034388356.db2.gz YNPUGUXAKZMINM-STQMWFEESA-N 2 2 321.877 3.666 20 0 DHADLP C[NH+](C)Cc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174522472 1034481435 /nfs/dbraw/zinc/48/14/35/1034481435.db2.gz MZFYEUOHPJRGHE-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP C[C@@H]([NH2+]Cc1c(F)cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769312 1034571156 /nfs/dbraw/zinc/57/11/56/1034571156.db2.gz TWQCQJZEYYKTBG-KGLIPLIRSA-N 2 2 308.416 3.707 20 0 DHADLP C[C@@H]([NH2+]Cc1c(F)cccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185769312 1034571162 /nfs/dbraw/zinc/57/11/62/1034571162.db2.gz TWQCQJZEYYKTBG-KGLIPLIRSA-N 2 2 308.416 3.707 20 0 DHADLP CC(C)(C)c1csc(C[NH2+]CCCCNc2cccc[nH+]2)n1 ZINC000865445078 1034648853 /nfs/dbraw/zinc/64/88/53/1034648853.db2.gz DQXVMBIJDJTOSC-UHFFFAOYSA-N 2 2 318.490 3.818 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1cccc(F)c1 ZINC000187803903 1034733129 /nfs/dbraw/zinc/73/31/29/1034733129.db2.gz XYLGDJGKODOOMO-GOSISDBHSA-N 2 2 324.403 3.956 20 0 DHADLP CCCC[N@H+](Cc1cc(C)n(C)n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983630 1034745811 /nfs/dbraw/zinc/74/58/11/1034745811.db2.gz JXRXBHZULNMIHC-UHFFFAOYSA-N 2 2 320.525 3.640 20 0 DHADLP CCCC[N@@H+](Cc1cc(C)n(C)n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983630 1034745824 /nfs/dbraw/zinc/74/58/24/1034745824.db2.gz JXRXBHZULNMIHC-UHFFFAOYSA-N 2 2 320.525 3.640 20 0 DHADLP CN(C)c1cc[nH+]cc1CNc1ccc([N@@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000192216042 1034785364 /nfs/dbraw/zinc/78/53/64/1034785364.db2.gz TYVHTMMOCVBHPM-HNAYVOBHSA-N 2 2 322.456 3.748 20 0 DHADLP CN(C)c1cc[nH+]cc1CNc1ccc([N@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000192216042 1034785376 /nfs/dbraw/zinc/78/53/76/1034785376.db2.gz TYVHTMMOCVBHPM-HNAYVOBHSA-N 2 2 322.456 3.748 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000481912862 1035032565 /nfs/dbraw/zinc/03/25/65/1035032565.db2.gz ZLKANCLQPAHEKJ-UKRRQHHQSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000481912862 1035032578 /nfs/dbraw/zinc/03/25/78/1035032578.db2.gz ZLKANCLQPAHEKJ-UKRRQHHQSA-N 2 2 314.395 3.710 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000482008896 1035045385 /nfs/dbraw/zinc/04/53/85/1035045385.db2.gz NNRGOMUHFNNIDU-QGZVFWFLSA-N 2 2 313.489 3.948 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000482008896 1035045392 /nfs/dbraw/zinc/04/53/92/1035045392.db2.gz NNRGOMUHFNNIDU-QGZVFWFLSA-N 2 2 313.489 3.948 20 0 DHADLP Cc1ccc(C)c([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)c1 ZINC000194336264 1035116101 /nfs/dbraw/zinc/11/61/01/1035116101.db2.gz QUAVPYXIAMJFOP-HXUWFJFHSA-N 2 2 305.425 3.879 20 0 DHADLP CC(C)(C)OC(=O)Nc1cc(Nc2ccc(C[NH3+])cc2)cc[nH+]1 ZINC001175964505 1035168675 /nfs/dbraw/zinc/16/86/75/1035168675.db2.gz JLILJQMHQHEDBM-UHFFFAOYSA-N 2 2 314.389 3.631 20 0 DHADLP Cc1cccc(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)c1C ZINC000668184422 1035211676 /nfs/dbraw/zinc/21/16/76/1035211676.db2.gz DWGHYMKMDHANRN-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP Cc1cccc(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)c1C ZINC000668184422 1035211682 /nfs/dbraw/zinc/21/16/82/1035211682.db2.gz DWGHYMKMDHANRN-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP Cn1c[nH+]c2cc(Nc3cccc(C[NH+]4CCCC4)c3)ccc21 ZINC001176198656 1035231363 /nfs/dbraw/zinc/23/13/63/1035231363.db2.gz LTQQWSXJVURKGI-UHFFFAOYSA-N 2 2 306.413 3.913 20 0 DHADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000251762001 1035282588 /nfs/dbraw/zinc/28/25/88/1035282588.db2.gz LYVQMTWINCEWJS-YWPYICTPSA-N 2 2 311.267 3.569 20 0 DHADLP CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000251762001 1035282592 /nfs/dbraw/zinc/28/25/92/1035282592.db2.gz LYVQMTWINCEWJS-YWPYICTPSA-N 2 2 311.267 3.569 20 0 DHADLP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990883 1035341594 /nfs/dbraw/zinc/34/15/94/1035341594.db2.gz NTWMSRDMHQXETK-IAGOWNOFSA-N 2 2 321.509 3.615 20 0 DHADLP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990883 1035341597 /nfs/dbraw/zinc/34/15/97/1035341597.db2.gz NTWMSRDMHQXETK-IAGOWNOFSA-N 2 2 321.509 3.615 20 0 DHADLP Clc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001177098847 1035350460 /nfs/dbraw/zinc/35/04/60/1035350460.db2.gz QTWQPWXFFPIPBI-UHFFFAOYSA-N 2 2 303.818 3.877 20 0 DHADLP Clc1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)nc1 ZINC001168369092 1035364419 /nfs/dbraw/zinc/36/44/19/1035364419.db2.gz WAVLGZIVSDPFRL-SFHVURJKSA-N 2 2 319.880 3.650 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000453179579 1035387690 /nfs/dbraw/zinc/38/76/90/1035387690.db2.gz UWFGRIXVKDFXDC-JXFKEZNVSA-N 2 2 324.472 3.743 20 0 DHADLP CCC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccn1 ZINC001177688462 1035388460 /nfs/dbraw/zinc/38/84/60/1035388460.db2.gz VZLKPPILLHBCIB-MRXNPFEDSA-N 2 2 312.442 3.960 20 0 DHADLP CCc1cccc2cc(C[NH2+]CCCNc3cccc[nH+]3)oc21 ZINC001177935809 1035401840 /nfs/dbraw/zinc/40/18/40/1035401840.db2.gz BDARADZQHQOWRT-UHFFFAOYSA-N 2 2 309.413 3.982 20 0 DHADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1c(C)noc1C ZINC001178228407 1035418518 /nfs/dbraw/zinc/41/85/18/1035418518.db2.gz GBCUTRHUMOETCX-OAHLLOKOSA-N 2 2 316.430 3.780 20 0 DHADLP c1cnc2cccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)c2c1 ZINC001179168827 1035468214 /nfs/dbraw/zinc/46/82/14/1035468214.db2.gz KKWIRZCCOGOOEW-SFHVURJKSA-N 2 2 309.457 3.731 20 0 DHADLP c1cnc2cccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)c2c1 ZINC001179168827 1035468216 /nfs/dbraw/zinc/46/82/16/1035468216.db2.gz KKWIRZCCOGOOEW-SFHVURJKSA-N 2 2 309.457 3.731 20 0 DHADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2cncc([C@H]3CCC[NH2+]3)c2)c1 ZINC000906170428 1035798154 /nfs/dbraw/zinc/79/81/54/1035798154.db2.gz FSHXQOOFBCTWTP-LJQANCHMSA-N 2 2 322.387 3.557 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000669847664 1035902228 /nfs/dbraw/zinc/90/22/28/1035902228.db2.gz NMOBSIMTZKBACT-FHWLQOOXSA-N 2 2 309.457 3.872 20 0 DHADLP c1cc(-c2ccccc2)oc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000194062386 1035967725 /nfs/dbraw/zinc/96/77/25/1035967725.db2.gz UNLBPVSWNDYLEO-UHFFFAOYSA-N 2 2 310.441 3.911 20 0 DHADLP C[C@H](Cc1cccc(F)c1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001168473857 1036123870 /nfs/dbraw/zinc/12/38/70/1036123870.db2.gz OGPSBEIHSTZXPW-CQSZACIVSA-N 2 2 309.388 3.952 20 0 DHADLP C[N@H+](C/C=C\c1ccncc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000494963067 1036149624 /nfs/dbraw/zinc/14/96/24/1036149624.db2.gz XCCQSARJFCHAKJ-YVMONPNESA-N 2 2 321.468 3.691 20 0 DHADLP C[N@@H+](C/C=C\c1ccncc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000494963067 1036149630 /nfs/dbraw/zinc/14/96/30/1036149630.db2.gz XCCQSARJFCHAKJ-YVMONPNESA-N 2 2 321.468 3.691 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OC4CCCC4)c3)[C@@H]2C1 ZINC000495149701 1036293621 /nfs/dbraw/zinc/29/36/21/1036293621.db2.gz SHRZPPZLKNBDBL-YLJYHZDGSA-N 2 2 314.473 3.534 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OC4CCCC4)c3)[C@@H]2C1 ZINC000495149701 1036293635 /nfs/dbraw/zinc/29/36/35/1036293635.db2.gz SHRZPPZLKNBDBL-YLJYHZDGSA-N 2 2 314.473 3.534 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(OC4CCCC4)c3)[C@@H]2C1 ZINC000495149701 1036293653 /nfs/dbraw/zinc/29/36/53/1036293653.db2.gz SHRZPPZLKNBDBL-YLJYHZDGSA-N 2 2 314.473 3.534 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(OC4CCCC4)c3)[C@@H]2C1 ZINC000495149701 1036293664 /nfs/dbraw/zinc/29/36/64/1036293664.db2.gz SHRZPPZLKNBDBL-YLJYHZDGSA-N 2 2 314.473 3.534 20 0 DHADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000774441477 1036334668 /nfs/dbraw/zinc/33/46/68/1036334668.db2.gz JXAQHMWLDBKWPQ-BLLLJJGKSA-N 2 2 323.278 3.510 20 0 DHADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000774441477 1036334688 /nfs/dbraw/zinc/33/46/88/1036334688.db2.gz JXAQHMWLDBKWPQ-BLLLJJGKSA-N 2 2 323.278 3.510 20 0 DHADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001205263988 1036566856 /nfs/dbraw/zinc/56/68/56/1036566856.db2.gz GORZAQKAYSXJQO-CQSZACIVSA-N 2 2 304.331 3.548 20 0 DHADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001205263988 1036566877 /nfs/dbraw/zinc/56/68/77/1036566877.db2.gz GORZAQKAYSXJQO-CQSZACIVSA-N 2 2 304.331 3.548 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000131228635 1036586794 /nfs/dbraw/zinc/58/67/94/1036586794.db2.gz GABMYOFCHMHDNC-VQIMIIECSA-N 2 2 309.457 3.752 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000131228635 1036586809 /nfs/dbraw/zinc/58/68/09/1036586809.db2.gz GABMYOFCHMHDNC-VQIMIIECSA-N 2 2 309.457 3.752 20 0 DHADLP C[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl)C[NH+](C)C ZINC000491559090 1036594831 /nfs/dbraw/zinc/59/48/31/1036594831.db2.gz IIRGYXWIODKDDI-JTQLQIEISA-N 2 2 308.775 3.646 20 0 DHADLP C[C@@H](Cc1ccco1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477454 1036785695 /nfs/dbraw/zinc/78/56/95/1036785695.db2.gz YOBBSGITFHIWPI-FUHWJXTLSA-N 2 2 312.457 3.853 20 0 DHADLP C[C@@H](Cc1ccco1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477454 1036785714 /nfs/dbraw/zinc/78/57/14/1036785714.db2.gz YOBBSGITFHIWPI-FUHWJXTLSA-N 2 2 312.457 3.853 20 0 DHADLP C[NH+](C)C1(CNc2nc3ccccc3n3c[nH+]cc23)CCCCC1 ZINC001184536443 1036866071 /nfs/dbraw/zinc/86/60/71/1036866071.db2.gz QGXZNYCONRRIBF-UHFFFAOYSA-N 2 2 323.444 3.559 20 0 DHADLP Cc1nc(NCCCC[N@H+]2CCCC[C@H]2C)c2c([nH+]1)CCCC2 ZINC001184874784 1036969285 /nfs/dbraw/zinc/96/92/85/1036969285.db2.gz TVFPRTLBSGVWRT-OAHLLOKOSA-N 2 2 316.493 3.730 20 0 DHADLP Cc1nc(NCCCC[N@@H+]2CCCC[C@H]2C)c2c([nH+]1)CCCC2 ZINC001184874784 1036969303 /nfs/dbraw/zinc/96/93/03/1036969303.db2.gz TVFPRTLBSGVWRT-OAHLLOKOSA-N 2 2 316.493 3.730 20 0 DHADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CS1 ZINC000488440157 1037023977 /nfs/dbraw/zinc/02/39/77/1037023977.db2.gz PSVXLHBDKIJIGM-WMLDXEAASA-N 2 2 319.449 3.631 20 0 DHADLP COC(C)(C)CC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790699 1037123524 /nfs/dbraw/zinc/12/35/24/1037123524.db2.gz MJRYKGVUQFUXGF-HNNXBMFYSA-N 2 2 307.482 3.633 20 0 DHADLP COC(C)(C)CC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790699 1037123527 /nfs/dbraw/zinc/12/35/27/1037123527.db2.gz MJRYKGVUQFUXGF-HNNXBMFYSA-N 2 2 307.482 3.633 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC001198790483 1037123777 /nfs/dbraw/zinc/12/37/77/1037123777.db2.gz IPKXAFOCJVRTJV-QGZVFWFLSA-N 2 2 319.493 3.634 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC001198790483 1037123785 /nfs/dbraw/zinc/12/37/85/1037123785.db2.gz IPKXAFOCJVRTJV-QGZVFWFLSA-N 2 2 319.493 3.634 20 0 DHADLP CCOC1CC(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001198791249 1037128855 /nfs/dbraw/zinc/12/88/55/1037128855.db2.gz UDTRHMQWMKAKFL-CGZBRXJRSA-N 2 2 319.493 3.633 20 0 DHADLP CCOC1CC(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001198791249 1037128863 /nfs/dbraw/zinc/12/88/63/1037128863.db2.gz UDTRHMQWMKAKFL-CGZBRXJRSA-N 2 2 319.493 3.633 20 0 DHADLP CCO[C@@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001198791820 1037136013 /nfs/dbraw/zinc/13/60/13/1037136013.db2.gz ZQORLNGGYHDPNH-WMZOPIPTSA-N 2 2 319.493 3.633 20 0 DHADLP CCO[C@@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001198791820 1037136021 /nfs/dbraw/zinc/13/60/21/1037136021.db2.gz ZQORLNGGYHDPNH-WMZOPIPTSA-N 2 2 319.493 3.633 20 0 DHADLP CCC[C@H](C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001198901001 1037155351 /nfs/dbraw/zinc/15/53/51/1037155351.db2.gz NGOUCPGPCGCMQL-WOJBJXKFSA-N 2 2 318.505 3.517 20 0 DHADLP CCC[C@H](C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001198901001 1037155363 /nfs/dbraw/zinc/15/53/63/1037155363.db2.gz NGOUCPGPCGCMQL-WOJBJXKFSA-N 2 2 318.505 3.517 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(Cl)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745252 1037174655 /nfs/dbraw/zinc/17/46/55/1037174655.db2.gz XJSSVRGESRYTLJ-GOEBONIOSA-N 2 2 318.848 3.933 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(Cl)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309745252 1037174675 /nfs/dbraw/zinc/17/46/75/1037174675.db2.gz XJSSVRGESRYTLJ-GOEBONIOSA-N 2 2 318.848 3.933 20 0 DHADLP Clc1cc(C[NH2+]C2CCCC2)ccc1OCCn1cc[nH+]c1 ZINC001198980580 1037175782 /nfs/dbraw/zinc/17/57/82/1037175782.db2.gz IJQDKXQRBJAZEU-UHFFFAOYSA-N 2 2 319.836 3.648 20 0 DHADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)oc21 ZINC000317086871 1037178556 /nfs/dbraw/zinc/17/85/56/1037178556.db2.gz ANQYOXZLKVLWRD-KCQAQPDRSA-N 2 2 302.418 3.575 20 0 DHADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)oc21 ZINC000317086871 1037178560 /nfs/dbraw/zinc/17/85/60/1037178560.db2.gz ANQYOXZLKVLWRD-KCQAQPDRSA-N 2 2 302.418 3.575 20 0 DHADLP C[C@H](Nc1[nH]c2ccccc2[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310532971 1037241077 /nfs/dbraw/zinc/24/10/77/1037241077.db2.gz QJPCWOGVMDLXMQ-RDJZCZTQSA-N 2 2 320.440 3.885 20 0 DHADLP C[C@H](Nc1[nH]c2ccccc2[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310532971 1037241092 /nfs/dbraw/zinc/24/10/92/1037241092.db2.gz QJPCWOGVMDLXMQ-RDJZCZTQSA-N 2 2 320.440 3.885 20 0 DHADLP CC[NH2+]CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000570320918 1037264199 /nfs/dbraw/zinc/26/41/99/1037264199.db2.gz MXGLIWIQFRLONM-LJQANCHMSA-N 2 2 316.420 3.513 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CC(C(F)F)C1)C1CC1 ZINC000776013384 1037299735 /nfs/dbraw/zinc/29/97/35/1037299735.db2.gz GEHLXADVKVQVNC-JCYILVPMSA-N 2 2 308.416 3.530 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CC(C(F)F)C1)C1CC1 ZINC000776013384 1037299747 /nfs/dbraw/zinc/29/97/47/1037299747.db2.gz GEHLXADVKVQVNC-JCYILVPMSA-N 2 2 308.416 3.530 20 0 DHADLP Cc1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)sc1C(C)(C)C ZINC000929803264 1037467267 /nfs/dbraw/zinc/46/72/67/1037467267.db2.gz FVOUCWGZHKXMPD-UHFFFAOYSA-N 2 2 318.490 3.852 20 0 DHADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000493944822 1037599382 /nfs/dbraw/zinc/59/93/82/1037599382.db2.gz LHAZCMHCJHDDPF-MAUKXSAKSA-N 2 2 324.896 3.882 20 0 DHADLP COC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000493944822 1037599390 /nfs/dbraw/zinc/59/93/90/1037599390.db2.gz LHAZCMHCJHDDPF-MAUKXSAKSA-N 2 2 324.896 3.882 20 0 DHADLP Cc1cc(NC[C@H]2c3ccccc3C[N@H+]2C)nc(C2CCC2)[nH+]1 ZINC001187361821 1037621271 /nfs/dbraw/zinc/62/12/71/1037621271.db2.gz QJNIRTHSLKKUFF-KRWDZBQOSA-N 2 2 308.429 3.651 20 0 DHADLP Cc1cc(NC[C@H]2c3ccccc3C[N@@H+]2C)nc(C2CCC2)[nH+]1 ZINC001187361821 1037621278 /nfs/dbraw/zinc/62/12/78/1037621278.db2.gz QJNIRTHSLKKUFF-KRWDZBQOSA-N 2 2 308.429 3.651 20 0 DHADLP Clc1cscc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000776168785 1037673215 /nfs/dbraw/zinc/67/32/15/1037673215.db2.gz LCRKWSYTDZKKLC-UHFFFAOYSA-N 2 2 303.818 3.877 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000125225147 1037925882 /nfs/dbraw/zinc/92/58/82/1037925882.db2.gz MHVHRKUBTUMZQH-UHFFFAOYSA-N 2 2 301.261 3.910 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000125225147 1037925892 /nfs/dbraw/zinc/92/58/92/1037925892.db2.gz MHVHRKUBTUMZQH-UHFFFAOYSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](C)CC1(C[NH2+]Cc2nc(C(C)(C)C)cs2)CCCC1 ZINC001201929199 1037929935 /nfs/dbraw/zinc/92/99/35/1037929935.db2.gz IOBPSVGAQPKIFE-UHFFFAOYSA-N 2 2 309.523 3.652 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCSCC1 ZINC000187208040 1037954466 /nfs/dbraw/zinc/95/44/66/1037954466.db2.gz GABOUKOPPSJPJX-QFBILLFUSA-N 2 2 318.530 3.772 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCSCC1 ZINC000187208040 1037954481 /nfs/dbraw/zinc/95/44/81/1037954481.db2.gz GABOUKOPPSJPJX-QFBILLFUSA-N 2 2 318.530 3.772 20 0 DHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCCO2 ZINC000126453089 1038068589 /nfs/dbraw/zinc/06/85/89/1038068589.db2.gz PWNMBEDMCSEPAI-SFHVURJKSA-N 2 2 313.445 3.900 20 0 DHADLP C[C@@H]([NH2+]CCOc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000126887654 1038133217 /nfs/dbraw/zinc/13/32/17/1038133217.db2.gz SBEVIIMSEXMJSM-MRXNPFEDSA-N 2 2 307.397 3.602 20 0 DHADLP c1coc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001203284051 1038159762 /nfs/dbraw/zinc/15/97/62/1038159762.db2.gz QJGGODPRKOLGBS-FQEVSTJZSA-N 2 2 310.441 3.768 20 0 DHADLP c1coc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001203284051 1038159769 /nfs/dbraw/zinc/15/97/69/1038159769.db2.gz QJGGODPRKOLGBS-FQEVSTJZSA-N 2 2 310.441 3.768 20 0 DHADLP c1coc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001203284051 1038159777 /nfs/dbraw/zinc/15/97/77/1038159777.db2.gz QJGGODPRKOLGBS-FQEVSTJZSA-N 2 2 310.441 3.768 20 0 DHADLP c1coc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001203284051 1038159784 /nfs/dbraw/zinc/15/97/84/1038159784.db2.gz QJGGODPRKOLGBS-FQEVSTJZSA-N 2 2 310.441 3.768 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000573366153 1038907647 /nfs/dbraw/zinc/90/76/47/1038907647.db2.gz GJMCTEBFVIYLQA-DOMZBBRYSA-N 2 2 323.362 3.610 20 0 DHADLP CCCC[NH+]1CCC([NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000059639653 1040141909 /nfs/dbraw/zinc/14/19/09/1040141909.db2.gz CFKRQHJYTRTGOO-UHFFFAOYSA-N 2 2 309.523 3.795 20 0 DHADLP Cn1c(CCC[NH2+]Cc2cccc3[nH]ccc32)[nH+]c2ccccc21 ZINC000076901137 185052708 /nfs/dbraw/zinc/05/27/08/185052708.db2.gz CTMNKAGZXGHIOW-UHFFFAOYSA-N 2 2 318.424 3.777 20 0 DHADLP c1cn(C2CC[NH+](CCCSCc3ccccc3)CC2)c[nH+]1 ZINC000090551937 185302906 /nfs/dbraw/zinc/30/29/06/185302906.db2.gz IGCGOPVMXWDDJL-UHFFFAOYSA-N 2 2 315.486 3.844 20 0 DHADLP c1cn(C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)c[nH+]1 ZINC000092648581 185331405 /nfs/dbraw/zinc/33/14/05/185331405.db2.gz FLURCJOHXMWKCK-UHFFFAOYSA-N 2 2 318.424 3.782 20 0 DHADLP CC(C)COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648561 185331470 /nfs/dbraw/zinc/33/14/70/185331470.db2.gz MIZVCZIKMJMZJO-UHFFFAOYSA-N 2 2 313.445 3.755 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2cccnc2)[NH+]2CCCC2)cc1 ZINC000092743129 185337696 /nfs/dbraw/zinc/33/76/96/185337696.db2.gz YQCBZSTUJJAQFO-PXNSSMCTSA-N 2 2 309.457 3.878 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cn2ccccc2n1 ZINC000556236430 370703066 /nfs/dbraw/zinc/70/30/66/370703066.db2.gz LJFKPBATPKIKSF-QGZVFWFLSA-N 2 2 322.456 3.507 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cn2ccccc2n1 ZINC000556236430 370703070 /nfs/dbraw/zinc/70/30/70/370703070.db2.gz LJFKPBATPKIKSF-QGZVFWFLSA-N 2 2 322.456 3.507 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cncs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318091 193231001 /nfs/dbraw/zinc/23/10/01/193231001.db2.gz APTBOLBGJMQDBH-DOTOQJQBSA-N 2 2 315.486 3.628 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC000093318091 193231002 /nfs/dbraw/zinc/23/10/02/193231002.db2.gz APTBOLBGJMQDBH-DOTOQJQBSA-N 2 2 315.486 3.628 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cncs2)CC[NH+]1Cc1ccccc1 ZINC000093318091 193231004 /nfs/dbraw/zinc/23/10/04/193231004.db2.gz APTBOLBGJMQDBH-DOTOQJQBSA-N 2 2 315.486 3.628 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cncs2)CC[NH+]1Cc1ccccc1 ZINC000093318091 193231006 /nfs/dbraw/zinc/23/10/06/193231006.db2.gz APTBOLBGJMQDBH-DOTOQJQBSA-N 2 2 315.486 3.628 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019960871 182171036 /nfs/dbraw/zinc/17/10/36/182171036.db2.gz WDXSCMXDMFWRDR-SWLSCSKDSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019960871 182171038 /nfs/dbraw/zinc/17/10/38/182171038.db2.gz WDXSCMXDMFWRDR-SWLSCSKDSA-N 2 2 300.368 3.840 20 0 DHADLP Clc1cccc(Cl)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000020545871 182229009 /nfs/dbraw/zinc/22/90/09/182229009.db2.gz MHUHYSQETKGRRU-UHFFFAOYSA-N 2 2 301.261 3.959 20 0 DHADLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccco2)s1 ZINC000043277868 183350445 /nfs/dbraw/zinc/35/04/45/183350445.db2.gz VWXPXULUCCQWMG-UHFFFAOYSA-N 2 2 315.442 3.939 20 0 DHADLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccco2)s1 ZINC000043277868 183350449 /nfs/dbraw/zinc/35/04/49/183350449.db2.gz VWXPXULUCCQWMG-UHFFFAOYSA-N 2 2 315.442 3.939 20 0 DHADLP Cc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272657482 130049785 /nfs/dbraw/zinc/04/97/85/130049785.db2.gz GLOAOGPCXAMDHC-UHFFFAOYSA-N 2 2 300.368 3.501 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000280236828 130791593 /nfs/dbraw/zinc/79/15/93/130791593.db2.gz HTIYHHYPRYIJFF-STQMWFEESA-N 2 2 311.351 3.511 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000281171747 130841357 /nfs/dbraw/zinc/84/13/57/130841357.db2.gz QTOZJZLIKSQLCZ-KBPBESRZSA-N 2 2 305.372 3.958 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CCCc2cccc(C)n2)n1-c1ccccc1 ZINC000285624439 131187258 /nfs/dbraw/zinc/18/72/58/131187258.db2.gz QWTXNKVDHQXTTK-UHFFFAOYSA-N 2 2 320.440 3.607 20 0 DHADLP FC(F)(F)Oc1cccc([C@@H]([NH2+]Cc2c[nH+]c[nH]2)C2CC2)c1 ZINC000286387037 131233574 /nfs/dbraw/zinc/23/35/74/131233574.db2.gz GWMOOCFWCMKQGO-AWEZNQCLSA-N 2 2 311.307 3.549 20 0 DHADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H]1c1cccs1 ZINC000286971316 131258278 /nfs/dbraw/zinc/25/82/78/131258278.db2.gz OATTZJJWQOGXJI-QGZVFWFLSA-N 2 2 324.453 3.912 20 0 DHADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@@H]1c1cccs1 ZINC000286971316 131258279 /nfs/dbraw/zinc/25/82/79/131258279.db2.gz OATTZJJWQOGXJI-QGZVFWFLSA-N 2 2 324.453 3.912 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Oc2cccnc2)cc1 ZINC000289163498 131363116 /nfs/dbraw/zinc/36/31/16/131363116.db2.gz DUYRWIJPAKDBNW-INIZCTEOSA-N 2 2 322.412 3.811 20 0 DHADLP COc1ccc(OC)c([C@H](C)[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289226239 131366798 /nfs/dbraw/zinc/36/67/98/131366798.db2.gz JSPILULXSYTWJX-HNNXBMFYSA-N 2 2 314.429 3.691 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000289391212 131381509 /nfs/dbraw/zinc/38/15/09/131381509.db2.gz MOBWMNHXLKOJNO-UHFFFAOYSA-N 2 2 324.424 3.506 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000289568382 131397116 /nfs/dbraw/zinc/39/71/16/131397116.db2.gz HFJIYNHWJPLKJG-FXAWDEMLSA-N 2 2 311.473 3.604 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000295703630 131916701 /nfs/dbraw/zinc/91/67/01/131916701.db2.gz MNNYTJLJFWGLGF-WBVHZDCISA-N 2 2 311.429 3.625 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000297566208 132022470 /nfs/dbraw/zinc/02/24/70/132022470.db2.gz CMEQFVVUPAFSCZ-KBPBESRZSA-N 2 2 305.853 3.740 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297566208 132022471 /nfs/dbraw/zinc/02/24/71/132022471.db2.gz CMEQFVVUPAFSCZ-KBPBESRZSA-N 2 2 305.853 3.740 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000297563993 132022581 /nfs/dbraw/zinc/02/25/81/132022581.db2.gz CKRMXFVSCKZEBC-UHFFFAOYSA-N 2 2 319.399 3.686 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000297563993 132022582 /nfs/dbraw/zinc/02/25/82/132022582.db2.gz CKRMXFVSCKZEBC-UHFFFAOYSA-N 2 2 319.399 3.686 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340582641 132036716 /nfs/dbraw/zinc/03/67/16/132036716.db2.gz KNBKZNVHVNMVFJ-YGRLFVJLSA-N 2 2 310.228 3.856 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000340584742 132039145 /nfs/dbraw/zinc/03/91/45/132039145.db2.gz VOOGRAWKUOBERQ-ZUZCIYMTSA-N 2 2 310.228 3.856 20 0 DHADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1cn[nH]c1 ZINC000297921259 132040587 /nfs/dbraw/zinc/04/05/87/132040587.db2.gz XEOUSGLPYZSXPF-HZPDHXFCSA-N 2 2 312.461 3.724 20 0 DHADLP Clc1ccc2c(c1Cl)CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000343324983 335087101 /nfs/dbraw/zinc/08/71/01/335087101.db2.gz ZSIVVBIZUHVHEG-UHFFFAOYSA-N 2 2 310.228 3.638 20 0 DHADLP Clc1ccc2c(c1Cl)CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000343324983 335087103 /nfs/dbraw/zinc/08/71/03/335087103.db2.gz ZSIVVBIZUHVHEG-UHFFFAOYSA-N 2 2 310.228 3.638 20 0 DHADLP Cn1c2ccccc2[nH+]c1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000534978903 435306884 /nfs/dbraw/zinc/30/68/84/435306884.db2.gz UWFSYZPAVYOIJE-LJQANCHMSA-N 2 2 320.440 3.822 20 0 DHADLP Cc1[nH+]ccn1-c1ccccc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000604757039 435338505 /nfs/dbraw/zinc/33/85/05/435338505.db2.gz WZGYYAPYWXYTRW-UHFFFAOYSA-N 2 2 319.412 3.769 20 0 DHADLP CC(C)(C)OCCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000530494967 331496459 /nfs/dbraw/zinc/49/64/59/331496459.db2.gz NTWWDRASPDRRIU-UHFFFAOYSA-N 2 2 305.466 3.553 20 0 DHADLP CCC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccn1 ZINC000179461876 331524620 /nfs/dbraw/zinc/52/46/20/331524620.db2.gz RJDIVPNVLNQHJJ-IBGZPJMESA-N 2 2 320.440 3.957 20 0 DHADLP Clc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000556934999 331756072 /nfs/dbraw/zinc/75/60/72/331756072.db2.gz IXIKUVFBYYSSQM-LBPRGKRZSA-N 2 2 321.877 3.553 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+]CCC3CCCCCC3)CC2)nc1 ZINC000558399984 331902315 /nfs/dbraw/zinc/90/23/15/331902315.db2.gz BMLJKGJJXCTIJA-UHFFFAOYSA-N 2 2 315.505 3.996 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000313270631 331928912 /nfs/dbraw/zinc/92/89/12/331928912.db2.gz BLWUTHDJIGVOFF-HXUWFJFHSA-N 2 2 305.425 3.536 20 0 DHADLP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[NH+]2CCCC2)cc1 ZINC000558698901 331936532 /nfs/dbraw/zinc/93/65/32/331936532.db2.gz FEFNXGBPQJTWIA-NBYUQASBSA-N 2 2 314.473 3.610 20 0 DHADLP CC(C)(C[NH2+]C1CCN(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000152678132 331993554 /nfs/dbraw/zinc/99/35/54/331993554.db2.gz CALPWOTWVUNOMM-UHFFFAOYSA-N 2 2 315.505 3.510 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)n1C ZINC000518218317 331997847 /nfs/dbraw/zinc/99/78/47/331997847.db2.gz GJBPOBFGRQWEHW-CTYIDZIISA-N 2 2 323.362 3.783 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000129753616 332020717 /nfs/dbraw/zinc/02/07/17/332020717.db2.gz JGHQZBKVPDRPKD-NORZTCDRSA-N 2 2 306.450 3.577 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000129753616 332020718 /nfs/dbraw/zinc/02/07/18/332020718.db2.gz JGHQZBKVPDRPKD-NORZTCDRSA-N 2 2 306.450 3.577 20 0 DHADLP CCCCOCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132035844 332088404 /nfs/dbraw/zinc/08/84/04/332088404.db2.gz NCFKQJFQRSBCML-MRXNPFEDSA-N 2 2 301.434 3.730 20 0 DHADLP FC(F)(F)c1cccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CC2)c1 ZINC000091264073 332102361 /nfs/dbraw/zinc/10/23/61/332102361.db2.gz CYHRSMPRRLQZKQ-HNNXBMFYSA-N 2 2 309.335 3.643 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000093638827 332141021 /nfs/dbraw/zinc/14/10/21/332141021.db2.gz HTCCRZDQMCOEEV-CZUORRHYSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000093638827 332141023 /nfs/dbraw/zinc/14/10/23/332141023.db2.gz HTCCRZDQMCOEEV-CZUORRHYSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000093638827 332141025 /nfs/dbraw/zinc/14/10/25/332141025.db2.gz HTCCRZDQMCOEEV-CZUORRHYSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000093638827 332141026 /nfs/dbraw/zinc/14/10/26/332141026.db2.gz HTCCRZDQMCOEEV-CZUORRHYSA-N 2 2 310.869 3.511 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C[N@@H+]1C1CC1 ZINC000449432696 332175652 /nfs/dbraw/zinc/17/56/52/332175652.db2.gz IRQDXUYVISNVAT-COMQUAJESA-N 2 2 304.400 3.712 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C[N@H+]1C1CC1 ZINC000449432696 332175653 /nfs/dbraw/zinc/17/56/53/332175653.db2.gz IRQDXUYVISNVAT-COMQUAJESA-N 2 2 304.400 3.712 20 0 DHADLP CC[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449433790 332185448 /nfs/dbraw/zinc/18/54/48/332185448.db2.gz NVKRVVPIXJWOHV-UONOGXRCSA-N 2 2 306.416 3.819 20 0 DHADLP CC[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449433788 332185552 /nfs/dbraw/zinc/18/55/52/332185552.db2.gz NVKRVVPIXJWOHV-KBPBESRZSA-N 2 2 306.416 3.819 20 0 DHADLP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372318 332233722 /nfs/dbraw/zinc/23/37/22/332233722.db2.gz XBIYYRRVNIBGQN-WMZOPIPTSA-N 2 2 317.477 3.553 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1 ZINC000152783605 332328481 /nfs/dbraw/zinc/32/84/81/332328481.db2.gz DQHGGOSASNBFPR-ZDUSSCGKSA-N 2 2 303.837 3.766 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)CCCC2 ZINC000152812846 332389823 /nfs/dbraw/zinc/38/98/23/332389823.db2.gz WAEUEUZUNNZSNE-INIZCTEOSA-N 2 2 323.484 3.992 20 0 DHADLP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449554526 332416413 /nfs/dbraw/zinc/41/64/13/332416413.db2.gz BXDIWPXVZABJSP-STQMWFEESA-N 2 2 302.384 3.566 20 0 DHADLP CCSc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427858982 332544547 /nfs/dbraw/zinc/54/45/47/332544547.db2.gz VEUFAVMTJFYBQH-HIFRSBDPSA-N 2 2 301.459 3.661 20 0 DHADLP Fc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427891670 332556720 /nfs/dbraw/zinc/55/67/20/332556720.db2.gz LUKFIFNYUTXXNK-UYAOXDASSA-N 2 2 321.399 3.716 20 0 DHADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427894517 332557061 /nfs/dbraw/zinc/55/70/61/332557061.db2.gz LFDZBSNPLRUFCS-OCCSQVGLSA-N 2 2 322.239 3.782 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312772437 333005396 /nfs/dbraw/zinc/00/53/96/333005396.db2.gz SWWHPCDWENDDFZ-YWVKMMECSA-N 2 2 307.290 3.873 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312772437 333005397 /nfs/dbraw/zinc/00/53/97/333005397.db2.gz SWWHPCDWENDDFZ-YWVKMMECSA-N 2 2 307.290 3.873 20 0 DHADLP Cc1sccc1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000314317404 333101347 /nfs/dbraw/zinc/10/13/47/333101347.db2.gz YFMCOCOSPJPUSQ-GOSISDBHSA-N 2 2 300.471 3.983 20 0 DHADLP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000366822716 335122274 /nfs/dbraw/zinc/12/22/74/335122274.db2.gz JJCWAUDAYUPLQP-XUVXKRRUSA-N 2 2 315.505 3.852 20 0 DHADLP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000366822716 335122275 /nfs/dbraw/zinc/12/22/75/335122275.db2.gz JJCWAUDAYUPLQP-XUVXKRRUSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1cccc(C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000518781037 333184116 /nfs/dbraw/zinc/18/41/16/333184116.db2.gz KRNDTIGIVRQYDB-UHFFFAOYSA-N 2 2 308.469 3.922 20 0 DHADLP Cc1cccc(C[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000518781037 333184118 /nfs/dbraw/zinc/18/41/18/333184118.db2.gz KRNDTIGIVRQYDB-UHFFFAOYSA-N 2 2 308.469 3.922 20 0 DHADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390530527 333291754 /nfs/dbraw/zinc/29/17/54/333291754.db2.gz LTWHIORYDNDYBB-HKUYNNGSSA-N 2 2 310.441 3.911 20 0 DHADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390530527 333291755 /nfs/dbraw/zinc/29/17/55/333291755.db2.gz LTWHIORYDNDYBB-HKUYNNGSSA-N 2 2 310.441 3.911 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390589154 333304165 /nfs/dbraw/zinc/30/41/65/333304165.db2.gz OMPXLLYPBNORHK-FXAWDEMLSA-N 2 2 324.468 3.577 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390589154 333304166 /nfs/dbraw/zinc/30/41/66/333304166.db2.gz OMPXLLYPBNORHK-FXAWDEMLSA-N 2 2 324.468 3.577 20 0 DHADLP CCc1nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)cs1 ZINC000531430281 333351636 /nfs/dbraw/zinc/35/16/36/333351636.db2.gz XQFBDCHWYPHNCW-ZBFHGGJFSA-N 2 2 309.523 3.696 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000261930363 333380945 /nfs/dbraw/zinc/38/09/45/333380945.db2.gz JNHZOQSMCRXTHE-GOEBONIOSA-N 2 2 315.486 3.678 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000261930363 333380946 /nfs/dbraw/zinc/38/09/46/333380946.db2.gz JNHZOQSMCRXTHE-GOEBONIOSA-N 2 2 315.486 3.678 20 0 DHADLP C[C@H](CCc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121364919 333386085 /nfs/dbraw/zinc/38/60/85/333386085.db2.gz QWXJTCOMLYSJOJ-QGZVFWFLSA-N 2 2 309.457 3.661 20 0 DHADLP CSc1ccc([C@@H](CNc2cccc(C)[nH+]2)[NH+](C)C)cc1 ZINC000338829109 333499369 /nfs/dbraw/zinc/49/93/69/333499369.db2.gz AYOUEQJYHAPTPX-MRXNPFEDSA-N 2 2 301.459 3.827 20 0 DHADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000531692669 333545928 /nfs/dbraw/zinc/54/59/28/333545928.db2.gz UWNAPEXVRLEPAK-BXWFABGCSA-N 2 2 304.478 3.856 20 0 DHADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cccs1 ZINC000531721785 333550988 /nfs/dbraw/zinc/55/09/88/333550988.db2.gz KTMZAYIDQMCFSU-INIZCTEOSA-N 2 2 322.518 3.681 20 0 DHADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152234174 333649060 /nfs/dbraw/zinc/64/90/60/333649060.db2.gz MXFQJYIFJSATMC-YWZLYKJASA-N 2 2 303.409 3.895 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(C)c1 ZINC000414117916 333906028 /nfs/dbraw/zinc/90/60/28/333906028.db2.gz SZZFLOYHWLXSIV-HZPDHXFCSA-N 2 2 313.445 3.737 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CS1 ZINC000414232458 333927238 /nfs/dbraw/zinc/92/72/38/333927238.db2.gz PZRZCJPJOOVPFJ-BBRMVZONSA-N 2 2 324.921 3.788 20 0 DHADLP COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000414785518 334095080 /nfs/dbraw/zinc/09/50/80/334095080.db2.gz JHBUQQRUPYESJX-AZUAARDMSA-N 2 2 322.452 3.546 20 0 DHADLP COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000414785518 334095081 /nfs/dbraw/zinc/09/50/81/334095081.db2.gz JHBUQQRUPYESJX-AZUAARDMSA-N 2 2 322.452 3.546 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000414822332 334108334 /nfs/dbraw/zinc/10/83/34/334108334.db2.gz DVBGRKDLTZEVGU-KRWDZBQOSA-N 2 2 314.477 3.620 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CC3 ZINC000414829333 334110255 /nfs/dbraw/zinc/11/02/55/334110255.db2.gz KPNOHYPNUIOGGN-LPHOPBHVSA-N 2 2 319.452 3.623 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CC3 ZINC000414829330 334110279 /nfs/dbraw/zinc/11/02/79/334110279.db2.gz KPNOHYPNUIOGGN-APWZRJJASA-N 2 2 319.452 3.623 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414830716 334110586 /nfs/dbraw/zinc/11/05/86/334110586.db2.gz MIKXQPOOCIWAJM-DYVFJYSZSA-N 2 2 322.374 3.926 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414839394 334112263 /nfs/dbraw/zinc/11/22/63/334112263.db2.gz WGNYBSAXFYMONJ-WMLDXEAASA-N 2 2 300.471 3.629 20 0 DHADLP [NH3+]C1(C[NH2+]Cc2csc(-c3ccsc3)n2)CCCCC1 ZINC000414839077 334112286 /nfs/dbraw/zinc/11/22/86/334112286.db2.gz ITRWVQCFINFBQI-UHFFFAOYSA-N 2 2 307.488 3.623 20 0 DHADLP [NH3+][C@H](C[NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000414841107 334112663 /nfs/dbraw/zinc/11/26/63/334112663.db2.gz XUWQMNLSPGDKOU-OAHLLOKOSA-N 2 2 312.310 3.634 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C[C@@H](C)CC2CCOCC2)cc1 ZINC000414844199 334113325 /nfs/dbraw/zinc/11/33/25/334113325.db2.gz KOMGYHMEWUOXNA-JXFKEZNVSA-N 2 2 318.505 3.852 20 0 DHADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000575069394 334117401 /nfs/dbraw/zinc/11/74/01/334117401.db2.gz ZHSJLNCFMJLSOI-KRWDZBQOSA-N 2 2 305.425 3.871 20 0 DHADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000575069394 334117402 /nfs/dbraw/zinc/11/74/02/334117402.db2.gz ZHSJLNCFMJLSOI-KRWDZBQOSA-N 2 2 305.425 3.871 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000286204596 334151738 /nfs/dbraw/zinc/15/17/38/334151738.db2.gz RODXGMZTNPFERY-IRXDYDNUSA-N 2 2 324.472 3.661 20 0 DHADLP Clc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415082882 334271974 /nfs/dbraw/zinc/27/19/74/334271974.db2.gz PAELCMKYUCORLT-AEFFLSMTSA-N 2 2 300.833 3.923 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000415086401 334273478 /nfs/dbraw/zinc/27/34/78/334273478.db2.gz JPEMCYTWUMGSJY-HIFRSBDPSA-N 2 2 300.377 3.631 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)s2)cc1 ZINC000415049478 334259154 /nfs/dbraw/zinc/25/91/54/334259154.db2.gz AQOPVVWTBBTVCG-HNNXBMFYSA-N 2 2 303.475 3.582 20 0 DHADLP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415038222 334260713 /nfs/dbraw/zinc/26/07/13/334260713.db2.gz HUEQGIXATVOTBO-WCQYABFASA-N 2 2 318.408 3.731 20 0 DHADLP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415038222 334260714 /nfs/dbraw/zinc/26/07/14/334260714.db2.gz HUEQGIXATVOTBO-WCQYABFASA-N 2 2 318.408 3.731 20 0 DHADLP Cc1nc(-c2ccc(CC[NH2+]CC[NH2+]C(C)(C)C)s2)cs1 ZINC000415088045 334276156 /nfs/dbraw/zinc/27/61/56/334276156.db2.gz LMWBNACAWWFNTQ-UHFFFAOYSA-N 2 2 323.531 3.700 20 0 DHADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000534525080 334278736 /nfs/dbraw/zinc/27/87/36/334278736.db2.gz SNAWRXDJHWABHQ-IYYMRFBLSA-N 2 2 308.469 3.852 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415105438 334283026 /nfs/dbraw/zinc/28/30/26/334283026.db2.gz MGJNUSRJPRMZTM-BPUTZDHNSA-N 2 2 301.459 3.595 20 0 DHADLP c1ccc2c(c1)CC[C@@H]2[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000531939359 334298609 /nfs/dbraw/zinc/29/86/09/334298609.db2.gz IQFOUWZOPRQJCU-SFHVURJKSA-N 2 2 316.514 3.625 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000531946938 334305129 /nfs/dbraw/zinc/30/51/29/334305129.db2.gz WTJXSPYZULPYMV-BBWFWOEESA-N 2 2 304.478 3.509 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000531946938 334305130 /nfs/dbraw/zinc/30/51/30/334305130.db2.gz WTJXSPYZULPYMV-BBWFWOEESA-N 2 2 304.478 3.509 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C(C)C)[C@H](C)C2)CC1 ZINC000534630282 334305389 /nfs/dbraw/zinc/30/53/89/334305389.db2.gz PJZLLRKVVLUZTR-LMMKCTJWSA-N 2 2 324.553 3.926 20 0 DHADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000531963058 334321006 /nfs/dbraw/zinc/32/10/06/334321006.db2.gz YPMWDPVAVPJUAS-RCBQFDQVSA-N 2 2 314.395 3.942 20 0 DHADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000531963058 334321008 /nfs/dbraw/zinc/32/10/08/334321008.db2.gz YPMWDPVAVPJUAS-RCBQFDQVSA-N 2 2 314.395 3.942 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000531974933 334340594 /nfs/dbraw/zinc/34/05/94/334340594.db2.gz BTYOQTDVZKKLHY-SJORKVTESA-N 2 2 318.505 3.658 20 0 DHADLP Clc1cccc2c1CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000531977493 334349016 /nfs/dbraw/zinc/34/90/16/334349016.db2.gz MWDMZKLOCWUPTH-MRXNPFEDSA-N 2 2 301.821 3.814 20 0 DHADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000531994698 334369387 /nfs/dbraw/zinc/36/93/87/334369387.db2.gz UWLQQGAKFQXIQZ-UIFIKXQLSA-N 2 2 308.469 3.553 20 0 DHADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000531994698 334369388 /nfs/dbraw/zinc/36/93/88/334369388.db2.gz UWLQQGAKFQXIQZ-UIFIKXQLSA-N 2 2 308.469 3.553 20 0 DHADLP Brc1cccc2c1CCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000341186523 334421713 /nfs/dbraw/zinc/42/17/13/334421713.db2.gz ZGFQVHSQVOLSQK-INIZCTEOSA-N 2 2 323.278 3.512 20 0 DHADLP Cc1cccc(C)c1OCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342592852 334553739 /nfs/dbraw/zinc/55/37/39/334553739.db2.gz FQTHLPFUWKLSMT-UHFFFAOYSA-N 2 2 313.445 3.675 20 0 DHADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000449486878 338629766 /nfs/dbraw/zinc/62/97/66/338629766.db2.gz VNMYTUFCBFGTIO-UHFFFAOYSA-N 2 2 306.416 3.819 20 0 DHADLP CCOC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000189351364 334892621 /nfs/dbraw/zinc/89/26/21/334892621.db2.gz QGXALPMCRKEMCU-QAPCUYQASA-N 2 2 301.434 3.584 20 0 DHADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000344111097 335224160 /nfs/dbraw/zinc/22/41/60/335224160.db2.gz UJSWDRRGABRILT-ZWKOTPCHSA-N 2 2 313.445 3.556 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@H]3CSc4ccccc43)c2)c[nH+]1 ZINC000344218005 335229472 /nfs/dbraw/zinc/22/94/72/335229472.db2.gz WYCFEERFGVGUCA-HNNXBMFYSA-N 2 2 313.451 3.870 20 0 DHADLP CCO[C@H]1C[C@H]([NH2+]CCc2cc[nH+]cc2C)C12CCCCC2 ZINC000344277100 335235683 /nfs/dbraw/zinc/23/56/83/335235683.db2.gz CDAFRTACQKKSDT-ROUUACIJSA-N 2 2 302.462 3.650 20 0 DHADLP CS[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000344326797 335246054 /nfs/dbraw/zinc/24/60/54/335246054.db2.gz OFKGJFUPDRHMQM-MRXNPFEDSA-N 2 2 303.475 3.740 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000344471326 335251433 /nfs/dbraw/zinc/25/14/33/335251433.db2.gz AFMYUEJPJFULIT-UHFFFAOYSA-N 2 2 313.445 3.968 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC000366874869 335266291 /nfs/dbraw/zinc/26/62/91/335266291.db2.gz WDEVHQCASSGIKL-INIZCTEOSA-N 2 2 315.465 3.621 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccnn2C(C)C)C1 ZINC000366874869 335266292 /nfs/dbraw/zinc/26/62/92/335266292.db2.gz WDEVHQCASSGIKL-INIZCTEOSA-N 2 2 315.465 3.621 20 0 DHADLP C[C@@H](Cc1ccncc1)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000344739185 335272510 /nfs/dbraw/zinc/27/25/10/335272510.db2.gz FEIIXVZBTUKKKQ-LQWHRVPQSA-N 2 2 323.484 3.513 20 0 DHADLP C[C@@H](Cc1ccncc1)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000344739185 335272512 /nfs/dbraw/zinc/27/25/12/335272512.db2.gz FEIIXVZBTUKKKQ-LQWHRVPQSA-N 2 2 323.484 3.513 20 0 DHADLP Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)on1 ZINC000346161277 335383436 /nfs/dbraw/zinc/38/34/36/335383436.db2.gz FLUSQOXXLISBOS-HNNXBMFYSA-N 2 2 314.414 3.567 20 0 DHADLP Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)on1 ZINC000346161277 335383439 /nfs/dbraw/zinc/38/34/39/335383439.db2.gz FLUSQOXXLISBOS-HNNXBMFYSA-N 2 2 314.414 3.567 20 0 DHADLP c1cn(CC[N@H+](CCc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC000346227108 335386266 /nfs/dbraw/zinc/38/62/66/335386266.db2.gz XKVXJBDMCUDJBP-UHFFFAOYSA-N 2 2 305.425 3.628 20 0 DHADLP c1cn(CC[N@@H+](CCc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC000346227108 335386267 /nfs/dbraw/zinc/38/62/67/335386267.db2.gz XKVXJBDMCUDJBP-UHFFFAOYSA-N 2 2 305.425 3.628 20 0 DHADLP CCCO[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346204229 335390065 /nfs/dbraw/zinc/39/00/65/335390065.db2.gz PQAIDKHZFJVQAY-INIZCTEOSA-N 2 2 319.474 3.715 20 0 DHADLP CCCO[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346204229 335390067 /nfs/dbraw/zinc/39/00/67/335390067.db2.gz PQAIDKHZFJVQAY-INIZCTEOSA-N 2 2 319.474 3.715 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000346299487 335393465 /nfs/dbraw/zinc/39/34/65/335393465.db2.gz BDEWYRLNYLWLGV-UHFFFAOYSA-N 2 2 320.440 3.771 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)C[C@H]3CC=CCC3)sc2C1 ZINC000346316559 335399204 /nfs/dbraw/zinc/39/92/04/335399204.db2.gz AQKCKVGVQJXXIN-HNNXBMFYSA-N 2 2 319.518 3.698 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)C[C@H]3CC=CCC3)sc2C1 ZINC000346316559 335399207 /nfs/dbraw/zinc/39/92/07/335399207.db2.gz AQKCKVGVQJXXIN-HNNXBMFYSA-N 2 2 319.518 3.698 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)C[C@H]3CC=CCC3)sc2C1 ZINC000346316559 335399209 /nfs/dbraw/zinc/39/92/09/335399209.db2.gz AQKCKVGVQJXXIN-HNNXBMFYSA-N 2 2 319.518 3.698 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)C[C@H]3CC=CCC3)sc2C1 ZINC000346316559 335399211 /nfs/dbraw/zinc/39/92/11/335399211.db2.gz AQKCKVGVQJXXIN-HNNXBMFYSA-N 2 2 319.518 3.698 20 0 DHADLP C[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1)[C@@H]1CCCO1 ZINC000346470389 335410469 /nfs/dbraw/zinc/41/04/69/335410469.db2.gz BWDHHZKPILYORG-ZACQAIPSSA-N 2 2 322.518 3.678 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000349202166 335641590 /nfs/dbraw/zinc/64/15/90/335641590.db2.gz NPOBGJSGKIZILE-KYJSFNMBSA-N 2 2 304.503 3.570 20 0 DHADLP COC1CCC(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000350174182 335731928 /nfs/dbraw/zinc/73/19/28/335731928.db2.gz IQUCJUBSPVKBOD-UHFFFAOYSA-N 2 2 319.474 3.619 20 0 DHADLP FC(F)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000353246257 335765451 /nfs/dbraw/zinc/76/54/51/335765451.db2.gz ZMAQJTVIZDGWGF-UHFFFAOYSA-N 2 2 319.380 3.815 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)COCc1ccccc1 ZINC000519720702 335890143 /nfs/dbraw/zinc/89/01/43/335890143.db2.gz FNNZOHAKRASZCJ-UHFFFAOYSA-N 2 2 312.457 3.908 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000532200558 335915240 /nfs/dbraw/zinc/91/52/40/335915240.db2.gz WCIOXZCUBMZMHZ-FQEVSTJZSA-N 2 2 319.452 3.956 20 0 DHADLP C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000532222782 335917453 /nfs/dbraw/zinc/91/74/53/335917453.db2.gz WAYKHTXOVNZADK-QZTJIDSGSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2ccc(OC(C)(C)C)nc2)c[nH+]1 ZINC000351220124 336023193 /nfs/dbraw/zinc/02/31/93/336023193.db2.gz DJDIINNKUHCGTL-UHFFFAOYSA-N 2 2 313.445 3.685 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367120612 336031616 /nfs/dbraw/zinc/03/16/16/336031616.db2.gz GNIHFIQBOQGKJZ-UXPWSPDFSA-N 2 2 321.468 3.832 20 0 DHADLP Cc1cc(C)c(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1C ZINC000351562947 336044018 /nfs/dbraw/zinc/04/40/18/336044018.db2.gz DWRAFNHNUJXZGT-UHFFFAOYSA-N 2 2 306.413 3.864 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCCc2occc21 ZINC000192605155 336183241 /nfs/dbraw/zinc/18/32/41/336183241.db2.gz BWNGKWFXAJXJSK-MRXNPFEDSA-N 2 2 309.413 3.995 20 0 DHADLP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c1C ZINC000351995119 336186661 /nfs/dbraw/zinc/18/66/61/336186661.db2.gz IZSDWWLXHMEDOU-OAHLLOKOSA-N 2 2 308.429 3.887 20 0 DHADLP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c1C ZINC000351995119 336186662 /nfs/dbraw/zinc/18/66/62/336186662.db2.gz IZSDWWLXHMEDOU-OAHLLOKOSA-N 2 2 308.429 3.887 20 0 DHADLP COc1c(C)c[nH+]c(CN(C)c2cc[nH+]c(C)c2Cl)c1C ZINC000352068618 336192774 /nfs/dbraw/zinc/19/27/74/336192774.db2.gz IFPRCLFFMARKDU-UHFFFAOYSA-N 2 2 305.809 3.700 20 0 DHADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000352251393 336206955 /nfs/dbraw/zinc/20/69/55/336206955.db2.gz QSCRGNVXSWIZRY-QAPCUYQASA-N 2 2 313.445 3.673 20 0 DHADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCn1cc[nH+]c1C ZINC000352251393 336206956 /nfs/dbraw/zinc/20/69/56/336206956.db2.gz QSCRGNVXSWIZRY-QAPCUYQASA-N 2 2 313.445 3.673 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCc2ccsc2)CC1 ZINC000352356774 336214000 /nfs/dbraw/zinc/21/40/00/336214000.db2.gz IXHBUMRWFBQOIK-UHFFFAOYSA-N 2 2 316.470 3.928 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000352365850 336215240 /nfs/dbraw/zinc/21/52/40/336215240.db2.gz XUYJATPCGFTTCL-UHFFFAOYSA-N 2 2 322.452 3.922 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CCC1 ZINC000352487945 336221563 /nfs/dbraw/zinc/22/15/63/336221563.db2.gz KILVKQKZXJZBOC-LNLFQRSKSA-N 2 2 316.489 3.587 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CCC1 ZINC000352487945 336221564 /nfs/dbraw/zinc/22/15/64/336221564.db2.gz KILVKQKZXJZBOC-LNLFQRSKSA-N 2 2 316.489 3.587 20 0 DHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCSCC2)CCC1 ZINC000395754933 336227550 /nfs/dbraw/zinc/22/75/50/336227550.db2.gz FVCVKSORGNBXBW-UHFFFAOYSA-N 2 2 304.503 3.526 20 0 DHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCSCC2)CCC1 ZINC000395754933 336227551 /nfs/dbraw/zinc/22/75/51/336227551.db2.gz FVCVKSORGNBXBW-UHFFFAOYSA-N 2 2 304.503 3.526 20 0 DHADLP C[NH+](C)[C@@]1(C[NH2+]C2CC(c3ccccc3Cl)C2)CCSC1 ZINC000352649370 336228612 /nfs/dbraw/zinc/22/86/12/336228612.db2.gz KEYXQSIPEKFFBB-MQBCKMQZSA-N 2 2 324.921 3.613 20 0 DHADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352743133 336234269 /nfs/dbraw/zinc/23/42/69/336234269.db2.gz SSBKHLBZUMCYJP-FZKQIMNGSA-N 2 2 315.486 3.618 20 0 DHADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352807075 336242845 /nfs/dbraw/zinc/24/28/45/336242845.db2.gz TZKRUYYEJYTELV-ZYSHUDEJSA-N 2 2 316.489 3.855 20 0 DHADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352807075 336242846 /nfs/dbraw/zinc/24/28/46/336242846.db2.gz TZKRUYYEJYTELV-ZYSHUDEJSA-N 2 2 316.489 3.855 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000532446164 336247806 /nfs/dbraw/zinc/24/78/06/336247806.db2.gz CEBFNNBBXVOSNI-MAZHCROVSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000532446164 336247807 /nfs/dbraw/zinc/24/78/07/336247807.db2.gz CEBFNNBBXVOSNI-MAZHCROVSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1 ZINC000532459452 336248556 /nfs/dbraw/zinc/24/85/56/336248556.db2.gz SJBKNPWJFKAMEW-IRXDYDNUSA-N 2 2 304.478 3.509 20 0 DHADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccoc1)c1ccccc1 ZINC000532487762 336251745 /nfs/dbraw/zinc/25/17/45/336251745.db2.gz HZWNUFJDAPAFHR-VQIMIIECSA-N 2 2 316.445 3.640 20 0 DHADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccoc1)c1ccccc1 ZINC000532487762 336251746 /nfs/dbraw/zinc/25/17/46/336251746.db2.gz HZWNUFJDAPAFHR-VQIMIIECSA-N 2 2 316.445 3.640 20 0 DHADLP CC[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC000532530996 336253771 /nfs/dbraw/zinc/25/37/71/336253771.db2.gz BKRAKJRIGNMFRT-DNVCBOLYSA-N 2 2 313.445 3.728 20 0 DHADLP Clc1ccc(/C=C\C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000527048518 336281057 /nfs/dbraw/zinc/28/10/57/336281057.db2.gz SKZBXOQMGWJEEX-UPHRSURJSA-N 2 2 301.821 3.956 20 0 DHADLP CSc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000352856466 336281444 /nfs/dbraw/zinc/28/14/44/336281444.db2.gz WYCSHRMMVZSPAF-UHFFFAOYSA-N 2 2 307.488 3.847 20 0 DHADLP Fc1ccc2c(NCc3ccc(N4CCCC4)[nH+]c3)cc[nH+]c2c1 ZINC000301290398 336299014 /nfs/dbraw/zinc/29/90/14/336299014.db2.gz SZMKMDMMCCKLJP-UHFFFAOYSA-N 2 2 322.387 3.981 20 0 DHADLP c1cc2[nH+]ccc(N3CCCC[C@@H]([NH+]4CCCC4)C3)c2s1 ZINC000301394824 336304249 /nfs/dbraw/zinc/30/42/49/336304249.db2.gz KVLZAXKUBBVQGS-CQSZACIVSA-N 2 2 301.459 3.751 20 0 DHADLP CC[N@H+](C)Cc1cccc(CNc2cc[nH+]c(C(C)(C)C)n2)c1 ZINC000301452730 336307658 /nfs/dbraw/zinc/30/76/58/336307658.db2.gz UVKGGRHRCQEUBQ-UHFFFAOYSA-N 2 2 312.461 3.838 20 0 DHADLP CC[N@@H+](C)Cc1cccc(CNc2cc[nH+]c(C(C)(C)C)n2)c1 ZINC000301452730 336307659 /nfs/dbraw/zinc/30/76/59/336307659.db2.gz UVKGGRHRCQEUBQ-UHFFFAOYSA-N 2 2 312.461 3.838 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301500969 336310697 /nfs/dbraw/zinc/31/06/97/336310697.db2.gz ATLCVDGNGBREGQ-QAPCUYQASA-N 2 2 322.456 3.677 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301500969 336310698 /nfs/dbraw/zinc/31/06/98/336310698.db2.gz ATLCVDGNGBREGQ-QAPCUYQASA-N 2 2 322.456 3.677 20 0 DHADLP CCc1ccc(C[NH+]2CCN(c3cc[nH+]cc3Cl)CC2)s1 ZINC000301542391 336313561 /nfs/dbraw/zinc/31/35/61/336313561.db2.gz VSJCEISTJMSIDV-UHFFFAOYSA-N 2 2 321.877 3.681 20 0 DHADLP Clc1c[nH+]ccc1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000301584970 336316479 /nfs/dbraw/zinc/31/64/79/336316479.db2.gz OOSDDHWKVBWXBC-UHFFFAOYSA-N 2 2 312.804 3.634 20 0 DHADLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000301615284 336318404 /nfs/dbraw/zinc/31/84/04/336318404.db2.gz BFRWHKMQOSSPHW-OAHLLOKOSA-N 2 2 315.848 3.927 20 0 DHADLP COc1ccccc1[C@H](CNc1cc(C)cc[nH+]1)[NH+]1CCCC1 ZINC000301647041 336320535 /nfs/dbraw/zinc/32/05/35/336320535.db2.gz PXJJTPDZUPBDAP-KRWDZBQOSA-N 2 2 311.429 3.648 20 0 DHADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000301660354 336321422 /nfs/dbraw/zinc/32/14/22/336321422.db2.gz UGMZXRSYDOJBPS-CQSZACIVSA-N 2 2 317.383 3.745 20 0 DHADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000301660354 336321423 /nfs/dbraw/zinc/32/14/23/336321423.db2.gz UGMZXRSYDOJBPS-CQSZACIVSA-N 2 2 317.383 3.745 20 0 DHADLP Cc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2cccc(F)c2[nH+]1 ZINC000301660071 336321448 /nfs/dbraw/zinc/32/14/48/336321448.db2.gz JEQKPZNLPYXISF-ACJLOTCBSA-N 2 2 324.403 3.966 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301695617 336323993 /nfs/dbraw/zinc/32/39/93/336323993.db2.gz ZUKQOXFUCQNEPU-AUUYWEPGSA-N 2 2 324.472 3.867 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301695617 336323994 /nfs/dbraw/zinc/32/39/94/336323994.db2.gz ZUKQOXFUCQNEPU-AUUYWEPGSA-N 2 2 324.472 3.867 20 0 DHADLP Cc1ccc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCCC2)o1 ZINC000301885202 336336250 /nfs/dbraw/zinc/33/62/50/336336250.db2.gz OMUMJYQPGXITFO-MRXNPFEDSA-N 2 2 310.401 3.713 20 0 DHADLP c1ccc2[nH+]c(NCc3ccc(N4CCCCCC4)[nH+]c3)[nH]c2c1 ZINC000301900583 336337181 /nfs/dbraw/zinc/33/71/81/336337181.db2.gz ZFLSCMRQJVFMHV-UHFFFAOYSA-N 2 2 321.428 3.950 20 0 DHADLP COc1cccc2c(NCCCCNc3cccc[nH+]3)cc[nH+]c12 ZINC000302400507 336358316 /nfs/dbraw/zinc/35/83/16/336358316.db2.gz DXNQEOMXUBGGLH-UHFFFAOYSA-N 2 2 322.412 3.943 20 0 DHADLP Cc1sccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000353006879 336381875 /nfs/dbraw/zinc/38/18/75/336381875.db2.gz ILRGEWWZDYRAOW-ROUUACIJSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1sccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000353006879 336381876 /nfs/dbraw/zinc/38/18/76/336381876.db2.gz ILRGEWWZDYRAOW-ROUUACIJSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1sccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000353006879 336381877 /nfs/dbraw/zinc/38/18/77/336381877.db2.gz ILRGEWWZDYRAOW-ROUUACIJSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1sccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000353006879 336381878 /nfs/dbraw/zinc/38/18/78/336381878.db2.gz ILRGEWWZDYRAOW-ROUUACIJSA-N 2 2 315.486 3.576 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCC(F)(F)CC1 ZINC000353293036 336388727 /nfs/dbraw/zinc/38/87/27/336388727.db2.gz QLSHQBCZDBDDND-CYBMUJFWSA-N 2 2 311.420 3.566 20 0 DHADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000563985812 336389653 /nfs/dbraw/zinc/38/96/53/336389653.db2.gz IBLXCCKGNWJUKO-FUHIMQAGSA-N 2 2 324.468 3.748 20 0 DHADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000563985812 336389654 /nfs/dbraw/zinc/38/96/54/336389654.db2.gz IBLXCCKGNWJUKO-FUHIMQAGSA-N 2 2 324.468 3.748 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000034995847 336389676 /nfs/dbraw/zinc/38/96/76/336389676.db2.gz CUUSJVTWZJOLPF-MRXNPFEDSA-N 2 2 300.471 3.989 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000034995847 336389677 /nfs/dbraw/zinc/38/96/77/336389677.db2.gz CUUSJVTWZJOLPF-MRXNPFEDSA-N 2 2 300.471 3.989 20 0 DHADLP CC[C@H](CNc1ccc(Cn2cc[nH+]c2)c[nH+]1)c1ccccc1 ZINC000353136549 336404136 /nfs/dbraw/zinc/40/41/36/336404136.db2.gz LDCFBMCKGDHRGI-QGZVFWFLSA-N 2 2 306.413 3.932 20 0 DHADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000353440068 336418059 /nfs/dbraw/zinc/41/80/59/336418059.db2.gz YVSVXEBYAMSEPV-AWEZNQCLSA-N 2 2 313.323 3.523 20 0 DHADLP c1[nH]cc(C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)[nH+]1 ZINC000353922168 336448578 /nfs/dbraw/zinc/44/85/78/336448578.db2.gz KWEPBLRKBADSOI-UHFFFAOYSA-N 2 2 318.424 3.851 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@H]1C[C@H]1c1ccc(Cl)s1 ZINC000353935058 336449955 /nfs/dbraw/zinc/44/99/55/336449955.db2.gz ULKJNQAGTQTGRV-FDYHWXHSSA-N 2 2 309.866 3.768 20 0 DHADLP Cc1ccc(CCC[NH2+]C(C)(C)c2nc3ccccc3n2C)c[nH+]1 ZINC000354623188 336476871 /nfs/dbraw/zinc/47/68/71/336476871.db2.gz DFSQSAUFNYSJJH-UHFFFAOYSA-N 2 2 322.456 3.734 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)c[nH+]1 ZINC000354633549 336477079 /nfs/dbraw/zinc/47/70/79/336477079.db2.gz IRTMIBHWMATCNL-PXNSSMCTSA-N 2 2 311.473 3.604 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[C@@H](c3ccccc3)O2)c[nH+]1 ZINC000356374088 336547707 /nfs/dbraw/zinc/54/77/07/336547707.db2.gz WRBYXSFYUNBUTE-PMACEKPBSA-N 2 2 310.441 3.833 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[C@H](c3ccccc3)O2)c[nH+]1 ZINC000356374092 336547723 /nfs/dbraw/zinc/54/77/23/336547723.db2.gz WRBYXSFYUNBUTE-VQTJNVASSA-N 2 2 310.441 3.833 20 0 DHADLP CSc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000357874678 336602299 /nfs/dbraw/zinc/60/22/99/336602299.db2.gz SYSNOZUBSGNIBO-CQSZACIVSA-N 2 2 324.453 3.840 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1F)CCC2 ZINC000359952563 336695215 /nfs/dbraw/zinc/69/52/15/336695215.db2.gz NSFGTHMRVKJDKK-CHWSQXEVSA-N 2 2 305.372 3.698 20 0 DHADLP Cc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360433869 336711589 /nfs/dbraw/zinc/71/15/89/336711589.db2.gz PEAPBSBRQHBAQN-SFHVURJKSA-N 2 2 323.484 3.575 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCc2ccsc2)CC1 ZINC000360975684 336730373 /nfs/dbraw/zinc/73/03/73/336730373.db2.gz PLZJRKYFHHXYDR-HNNXBMFYSA-N 2 2 324.534 3.548 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(F)cc1 ZINC000361650367 336767156 /nfs/dbraw/zinc/76/71/56/336767156.db2.gz AJROZNHTKRNIHC-DOTOQJQBSA-N 2 2 301.409 3.949 20 0 DHADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000361654344 336767209 /nfs/dbraw/zinc/76/72/09/336767209.db2.gz KTKOEKIJJSVNOT-CVEARBPZSA-N 2 2 313.445 3.818 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc3c(s1)CCC3)CCC2 ZINC000361662228 336767662 /nfs/dbraw/zinc/76/76/62/336767662.db2.gz PNPWKRWXNDKSAH-HIFRSBDPSA-N 2 2 315.486 3.970 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc3c(s1)CCC3)CCC2 ZINC000361662230 336767706 /nfs/dbraw/zinc/76/77/06/336767706.db2.gz PNPWKRWXNDKSAH-ZFWWWQNUSA-N 2 2 315.486 3.970 20 0 DHADLP C[C@H]1CC[C@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c2ccccc21 ZINC000362801736 336811945 /nfs/dbraw/zinc/81/19/45/336811945.db2.gz HZGGWUBEUVWITK-KXBFYZLASA-N 2 2 318.424 3.996 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362929267 336815154 /nfs/dbraw/zinc/81/51/54/336815154.db2.gz BQQIXNZTDWFPEX-MRXNPFEDSA-N 2 2 313.489 3.919 20 0 DHADLP CCc1[nH+]ccn1C[C@H]1CCCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000367841610 336830838 /nfs/dbraw/zinc/83/08/38/336830838.db2.gz GSYRAQNZSKONTN-CYBMUJFWSA-N 2 2 324.350 3.528 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1Cl ZINC000370114095 336877751 /nfs/dbraw/zinc/87/77/51/336877751.db2.gz TXWIPESMUVZSRJ-ZDUSSCGKSA-N 2 2 303.837 3.766 20 0 DHADLP CC1(C)[C@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)[C@@H]2CCCC[C@@H]21 ZINC000370749030 336892921 /nfs/dbraw/zinc/89/29/21/336892921.db2.gz IWTUYCNZAYXKPZ-SOLBZPMBSA-N 2 2 310.445 3.572 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2F)CC1)c1ccoc1 ZINC000372778461 336939321 /nfs/dbraw/zinc/93/93/21/336939321.db2.gz CLQJDBVQGROPBT-CQSZACIVSA-N 2 2 302.393 3.734 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1cncc(F)c1 ZINC000121316044 336944710 /nfs/dbraw/zinc/94/47/10/336944710.db2.gz IASYYUDYYCEAQN-ZDUSSCGKSA-N 2 2 319.449 3.597 20 0 DHADLP COC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000373518803 336963443 /nfs/dbraw/zinc/96/34/43/336963443.db2.gz DPADYEYCBLJNIJ-DAWZGUTISA-N 2 2 322.880 3.634 20 0 DHADLP c1ccc2c(c1)CCSC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373523977 336963835 /nfs/dbraw/zinc/96/38/35/336963835.db2.gz QPSQTMFPPUDSBV-FAFZWHIHSA-N 2 2 316.514 3.624 20 0 DHADLP CC(C)CCc1nc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)cs1 ZINC000374211200 336983863 /nfs/dbraw/zinc/98/38/63/336983863.db2.gz JKPLKEDRWNKGHL-UHFFFAOYSA-N 2 2 318.490 3.834 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)c[nH+]c12 ZINC000374474672 336990076 /nfs/dbraw/zinc/99/00/76/336990076.db2.gz XTJHJBUKWCXNKB-MJGOQNOKSA-N 2 2 321.424 3.510 20 0 DHADLP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000375265784 337006788 /nfs/dbraw/zinc/00/67/88/337006788.db2.gz CCXOIJZZUQAARM-ROUUACIJSA-N 2 2 313.420 3.784 20 0 DHADLP Fc1cccc2c1SCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375264839 337006842 /nfs/dbraw/zinc/00/68/42/337006842.db2.gz CUIWLYJSPLHZBM-OAHLLOKOSA-N 2 2 317.433 3.685 20 0 DHADLP C[C@@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000122415608 337008178 /nfs/dbraw/zinc/00/81/78/337008178.db2.gz AJHKMGRTOPSHIV-MSOLQXFVSA-N 2 2 315.505 3.852 20 0 DHADLP c1cn(CC[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c[nH+]1 ZINC000375700976 337017251 /nfs/dbraw/zinc/01/72/51/337017251.db2.gz LBKDEHKFTGLIHF-GOSISDBHSA-N 2 2 321.428 3.500 20 0 DHADLP c1cn(CC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c[nH+]1 ZINC000375700976 337017252 /nfs/dbraw/zinc/01/72/52/337017252.db2.gz LBKDEHKFTGLIHF-GOSISDBHSA-N 2 2 321.428 3.500 20 0 DHADLP C[N@H+](CCCc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000375779892 337019448 /nfs/dbraw/zinc/01/94/48/337019448.db2.gz MZTBXQQTDCFDRG-SFTDATJTSA-N 2 2 323.484 3.639 20 0 DHADLP C[N@@H+](CCCc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000375779892 337019449 /nfs/dbraw/zinc/01/94/49/337019449.db2.gz MZTBXQQTDCFDRG-SFTDATJTSA-N 2 2 323.484 3.639 20 0 DHADLP C[NH+](CCCc1ccccc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375779892 337019450 /nfs/dbraw/zinc/01/94/50/337019450.db2.gz MZTBXQQTDCFDRG-SFTDATJTSA-N 2 2 323.484 3.639 20 0 DHADLP C[NH+](CCCc1ccccc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375779892 337019451 /nfs/dbraw/zinc/01/94/51/337019451.db2.gz MZTBXQQTDCFDRG-SFTDATJTSA-N 2 2 323.484 3.639 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)[NH+]2CCCC2)cc1 ZINC000375896278 337022508 /nfs/dbraw/zinc/02/25/08/337022508.db2.gz VKDYQOIKFBXWMN-ICSRJNTNSA-N 2 2 324.472 3.522 20 0 DHADLP Cc1cnc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000122942161 337030684 /nfs/dbraw/zinc/03/06/84/337030684.db2.gz WZGIFXQWCGBBLQ-ZDUSSCGKSA-N 2 2 312.442 3.796 20 0 DHADLP COc1ccc2ccccc2c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376494019 337034958 /nfs/dbraw/zinc/03/49/58/337034958.db2.gz YSPOANFYKSIERZ-UHFFFAOYSA-N 2 2 321.424 3.951 20 0 DHADLP c1nc(C2CCCC2)sc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376730319 337040123 /nfs/dbraw/zinc/04/01/23/337040123.db2.gz WWQJXMMGCSYYEE-UHFFFAOYSA-N 2 2 316.474 3.623 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000376858117 337042858 /nfs/dbraw/zinc/04/28/58/337042858.db2.gz UMDVASFZHMBERD-IBGZPJMESA-N 2 2 324.403 3.529 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000376858117 337042859 /nfs/dbraw/zinc/04/28/59/337042859.db2.gz UMDVASFZHMBERD-IBGZPJMESA-N 2 2 324.403 3.529 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C1CC(c2ccccn2)C1 ZINC000377547624 337054835 /nfs/dbraw/zinc/05/48/35/337054835.db2.gz DFTRKJFVMRGZHH-UHFFFAOYSA-N 2 2 320.440 3.666 20 0 DHADLP C[C@H]([NH2+]C1CC(c2ccccn2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000377646657 337057487 /nfs/dbraw/zinc/05/74/87/337057487.db2.gz JCRGKNQYFVSKOG-ZLPCBKJTSA-N 2 2 318.424 3.864 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2F)[C@H]1c1ccccc1 ZINC000377763132 337060403 /nfs/dbraw/zinc/06/04/03/337060403.db2.gz QTHCXZFMUQYNKD-HNAYVOBHSA-N 2 2 316.395 3.747 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2F)[C@H]1c1ccccc1 ZINC000377763132 337060404 /nfs/dbraw/zinc/06/04/04/337060404.db2.gz QTHCXZFMUQYNKD-HNAYVOBHSA-N 2 2 316.395 3.747 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1c3ccccc3-c3ccccc31)C2 ZINC000377798795 337061399 /nfs/dbraw/zinc/06/13/99/337061399.db2.gz MVFYKLFMJGYUBB-CYBMUJFWSA-N 2 2 301.393 3.627 20 0 DHADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C1c3ccccc3-c3ccccc31)CC2 ZINC000377798795 337061400 /nfs/dbraw/zinc/06/14/00/337061400.db2.gz MVFYKLFMJGYUBB-CYBMUJFWSA-N 2 2 301.393 3.627 20 0 DHADLP CCc1noc(C)c1C[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000378089497 337066325 /nfs/dbraw/zinc/06/63/25/337066325.db2.gz OBNJNJWXXBFJPJ-HNNXBMFYSA-N 2 2 316.449 3.702 20 0 DHADLP CCc1noc(C)c1C[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000378089497 337066326 /nfs/dbraw/zinc/06/63/26/337066326.db2.gz OBNJNJWXXBFJPJ-HNNXBMFYSA-N 2 2 316.449 3.702 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCc1cccc(F)c1)CCC2 ZINC000378183255 337067963 /nfs/dbraw/zinc/06/79/63/337067963.db2.gz LAPVDWLESGPFCI-YOEHRIQHSA-N 2 2 315.436 3.819 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCc1cccc(F)c1)CCC2 ZINC000378183253 337067973 /nfs/dbraw/zinc/06/79/73/337067973.db2.gz LAPVDWLESGPFCI-WMLDXEAASA-N 2 2 315.436 3.819 20 0 DHADLP CCC(CC)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000378245317 337068678 /nfs/dbraw/zinc/06/86/78/337068678.db2.gz SNXXFZAVWSFEDX-SUMWQHHRSA-N 2 2 309.523 3.688 20 0 DHADLP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000378245317 337068679 /nfs/dbraw/zinc/06/86/79/337068679.db2.gz SNXXFZAVWSFEDX-SUMWQHHRSA-N 2 2 309.523 3.688 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+]Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000378391883 337071635 /nfs/dbraw/zinc/07/16/35/337071635.db2.gz DTYHTXUCZWLETL-HNNXBMFYSA-N 2 2 309.413 3.791 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000360042022 337084462 /nfs/dbraw/zinc/08/44/62/337084462.db2.gz SXLRAWRGNKJJQQ-ZFWWWQNUSA-N 2 2 300.368 3.754 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000360042022 337084463 /nfs/dbraw/zinc/08/44/63/337084463.db2.gz SXLRAWRGNKJJQQ-ZFWWWQNUSA-N 2 2 300.368 3.754 20 0 DHADLP c1ccc(C2CC([NH2+]C3CC[NH+](Cc4ccncc4)CC3)C2)cc1 ZINC000360063227 337084979 /nfs/dbraw/zinc/08/49/79/337084979.db2.gz XZOCFPLQZRLHJL-UHFFFAOYSA-N 2 2 321.468 3.582 20 0 DHADLP Cc1cc(N2CCC([N@H+](C)C3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000360078886 337085153 /nfs/dbraw/zinc/08/51/53/337085153.db2.gz YSMHPEKURLNKQW-UHFFFAOYSA-N 2 2 316.493 3.752 20 0 DHADLP Cc1cc(N2CCC([N@@H+](C)C3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000360078886 337085154 /nfs/dbraw/zinc/08/51/54/337085154.db2.gz YSMHPEKURLNKQW-UHFFFAOYSA-N 2 2 316.493 3.752 20 0 DHADLP CSc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CCC2 ZINC000582606315 337112905 /nfs/dbraw/zinc/11/29/05/337112905.db2.gz NUXVVJHCYXBBTG-SUMWQHHRSA-N 2 2 301.459 3.661 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000174460492 337142008 /nfs/dbraw/zinc/14/20/08/337142008.db2.gz NDJHCIVWQRKLKZ-PBHICJAKSA-N 2 2 304.459 3.822 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000174460492 337142009 /nfs/dbraw/zinc/14/20/09/337142009.db2.gz NDJHCIVWQRKLKZ-PBHICJAKSA-N 2 2 304.459 3.822 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651027 337142855 /nfs/dbraw/zinc/14/28/55/337142855.db2.gz SEHVHIZKUOFWRY-MRXNPFEDSA-N 2 2 320.440 3.789 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000176993131 337154061 /nfs/dbraw/zinc/15/40/61/337154061.db2.gz KTQCRJZLUQEXSG-KDOFPFPSSA-N 2 2 302.462 3.900 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OC(C)C)c1 ZINC000177342315 337157104 /nfs/dbraw/zinc/15/71/04/337157104.db2.gz ZGILPCNABZVGOC-MSOLQXFVSA-N 2 2 302.462 3.532 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OC(C)C)c1 ZINC000177342315 337157105 /nfs/dbraw/zinc/15/71/05/337157105.db2.gz ZGILPCNABZVGOC-MSOLQXFVSA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC(C)C)c1 ZINC000177342315 337157106 /nfs/dbraw/zinc/15/71/06/337157106.db2.gz ZGILPCNABZVGOC-MSOLQXFVSA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OC(C)C)c1 ZINC000177342315 337157107 /nfs/dbraw/zinc/15/71/07/337157107.db2.gz ZGILPCNABZVGOC-MSOLQXFVSA-N 2 2 302.462 3.532 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccoc1 ZINC000178245440 337161614 /nfs/dbraw/zinc/16/16/14/337161614.db2.gz CXAIVMNNRBVPQL-AWEZNQCLSA-N 2 2 302.393 3.734 20 0 DHADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(SCC(F)F)cc1 ZINC000178307354 337162317 /nfs/dbraw/zinc/16/23/17/337162317.db2.gz JSGGOIGUPDWLBF-ZDUSSCGKSA-N 2 2 314.445 3.790 20 0 DHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000179528832 337170011 /nfs/dbraw/zinc/17/00/11/337170011.db2.gz IKUADWKBXWAWRT-UHFFFAOYSA-N 2 2 321.827 3.667 20 0 DHADLP COc1ccc(C[N@H+](CCCc2c[nH+]ccc2C)C2CC2)cc1 ZINC000582812198 337184346 /nfs/dbraw/zinc/18/43/46/337184346.db2.gz ADSSEGSEXLKMNG-UHFFFAOYSA-N 2 2 310.441 3.996 20 0 DHADLP COc1ccc(C[N@@H+](CCCc2c[nH+]ccc2C)C2CC2)cc1 ZINC000582812198 337184347 /nfs/dbraw/zinc/18/43/47/337184347.db2.gz ADSSEGSEXLKMNG-UHFFFAOYSA-N 2 2 310.441 3.996 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cnc(C3CCCCC3)s1)C2 ZINC000582934262 337215927 /nfs/dbraw/zinc/21/59/27/337215927.db2.gz HEWOROKLEPESAF-ZDUSSCGKSA-N 2 2 316.474 3.561 20 0 DHADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cnc(C3CCCCC3)s1)CC2 ZINC000582934262 337215928 /nfs/dbraw/zinc/21/59/28/337215928.db2.gz HEWOROKLEPESAF-ZDUSSCGKSA-N 2 2 316.474 3.561 20 0 DHADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000583152231 337246739 /nfs/dbraw/zinc/24/67/39/337246739.db2.gz UESYJYZUQLPGMO-NEPJUHHUSA-N 2 2 321.877 3.775 20 0 DHADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000583152231 337246740 /nfs/dbraw/zinc/24/67/40/337246740.db2.gz UESYJYZUQLPGMO-NEPJUHHUSA-N 2 2 321.877 3.775 20 0 DHADLP CC(C)c1cnc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)s1 ZINC000583211277 337272837 /nfs/dbraw/zinc/27/28/37/337272837.db2.gz BIUGMRCCVPFGNR-UHFFFAOYSA-N 2 2 313.430 3.518 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCOc4c(C)cccc43)n2c1 ZINC000188875828 337275968 /nfs/dbraw/zinc/27/59/68/337275968.db2.gz XTRUACMITSPHEB-QGZVFWFLSA-N 2 2 307.397 3.565 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000321632022 337279879 /nfs/dbraw/zinc/27/98/79/337279879.db2.gz VTWOPNYEEGISJG-RDTXWAMCSA-N 2 2 310.441 3.736 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000321632022 337279880 /nfs/dbraw/zinc/27/98/80/337279880.db2.gz VTWOPNYEEGISJG-RDTXWAMCSA-N 2 2 310.441 3.736 20 0 DHADLP CC[N@H+](Cc1ccccn1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192068860 337302333 /nfs/dbraw/zinc/30/23/33/337302333.db2.gz CSBQSUFNSQYJNR-UHFFFAOYSA-N 2 2 306.413 3.598 20 0 DHADLP CC[N@@H+](Cc1ccccn1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192068860 337302334 /nfs/dbraw/zinc/30/23/34/337302334.db2.gz CSBQSUFNSQYJNR-UHFFFAOYSA-N 2 2 306.413 3.598 20 0 DHADLP c1c2ccccc2sc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127710754 337422150 /nfs/dbraw/zinc/42/21/50/337422150.db2.gz OEINKDIDLJZQDT-UHFFFAOYSA-N 2 2 300.471 3.962 20 0 DHADLP c1cn(-c2ccc(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000236577263 337463662 /nfs/dbraw/zinc/46/36/62/337463662.db2.gz XNMPSBDUSHJDKD-QUCCMNQESA-N 2 2 303.409 3.766 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccs3)CCCCC2)n1C ZINC000571939293 337583420 /nfs/dbraw/zinc/58/34/20/337583420.db2.gz KPIPGQTXIZAFIE-UHFFFAOYSA-N 2 2 303.475 3.782 20 0 DHADLP CCCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162251557 337610543 /nfs/dbraw/zinc/61/05/43/337610543.db2.gz OGOQCIAMQAQKBO-PXNSSMCTSA-N 2 2 315.505 3.995 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCc3cccnc3CC2)[NH+](C)C)cc1 ZINC000421822952 337645923 /nfs/dbraw/zinc/64/59/23/337645923.db2.gz BTOXBWRBXXOJGM-CTNGQTDRSA-N 2 2 323.484 3.530 20 0 DHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000421832920 337651623 /nfs/dbraw/zinc/65/16/23/337651623.db2.gz ICTANHVZTQBADJ-CYBMUJFWSA-N 2 2 304.821 3.945 20 0 DHADLP Cc1ccc(C[NH+](C)C)cc1N[C@@H]1CCc2ccc[nH+]c2CC1 ZINC000421846146 337654193 /nfs/dbraw/zinc/65/41/93/337654193.db2.gz YTPAGDLSRRWMSS-GOSISDBHSA-N 2 2 309.457 3.811 20 0 DHADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422734860 337684543 /nfs/dbraw/zinc/68/45/43/337684543.db2.gz DFEYDINRVAWAOY-RRFJBIMHSA-N 2 2 321.534 3.841 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422948872 337694452 /nfs/dbraw/zinc/69/44/52/337694452.db2.gz RZYFPTMIQPKHLT-ZMSDIMECSA-N 2 2 320.477 3.665 20 0 DHADLP C[C@H]([NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423100326 337699646 /nfs/dbraw/zinc/69/96/46/337699646.db2.gz GQOKNASULIPGTB-KKXDTOCCSA-N 2 2 322.880 3.538 20 0 DHADLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423123079 337700447 /nfs/dbraw/zinc/70/04/47/337700447.db2.gz LYWNWGDLOUKSEK-CWRNSKLLSA-N 2 2 314.395 3.528 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000423246793 337707032 /nfs/dbraw/zinc/70/70/32/337707032.db2.gz QALSBGTUWFNCKQ-OALUTQOASA-N 2 2 316.489 3.749 20 0 DHADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423250081 337707240 /nfs/dbraw/zinc/70/72/40/337707240.db2.gz UNJWBGXCMGVQFI-IPMKNSEASA-N 2 2 304.478 3.605 20 0 DHADLP CCC([NH3+])(CC)C[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000423287279 337709488 /nfs/dbraw/zinc/70/94/88/337709488.db2.gz LFTYNGZBOQDRRZ-GOSISDBHSA-N 2 2 315.436 3.726 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423328501 337712268 /nfs/dbraw/zinc/71/22/68/337712268.db2.gz DSNPROOHPOAAAM-KBXCAEBGSA-N 2 2 315.486 3.850 20 0 DHADLP C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1)[C@H](C)[NH3+] ZINC000423454654 337720291 /nfs/dbraw/zinc/72/02/91/337720291.db2.gz ZHTLVASGWIDQOJ-OGHNNQOOSA-N 2 2 320.383 3.703 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(Cl)s1 ZINC000423527323 337724644 /nfs/dbraw/zinc/72/46/44/337724644.db2.gz MHDXNFPMZWQMFM-KWCYVHTRSA-N 2 2 306.862 3.808 20 0 DHADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(C)s1 ZINC000423535208 337724802 /nfs/dbraw/zinc/72/48/02/337724802.db2.gz XDMGQIFFNPHALM-JEBQAFNWSA-N 2 2 300.471 3.771 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000325437657 337732264 /nfs/dbraw/zinc/73/22/64/337732264.db2.gz TYBKICPCVNLQGX-LAUBAEHRSA-N 2 2 324.468 3.750 20 0 DHADLP CCC(CC)[C@H](CC[NH2+]Cc1c[nH+]c2ccc(C)cn12)OC ZINC000533008736 337805390 /nfs/dbraw/zinc/80/53/90/337805390.db2.gz GCDDUQNFXDLUBN-KRWDZBQOSA-N 2 2 303.450 3.574 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424267755 337813723 /nfs/dbraw/zinc/81/37/23/337813723.db2.gz YOGBSIIDTSAVIV-CYBMUJFWSA-N 2 2 310.869 3.874 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000057994229 337866455 /nfs/dbraw/zinc/86/64/55/337866455.db2.gz WQXXKADUKCNRJK-GFCCVEGCSA-N 2 2 301.261 3.815 20 0 DHADLP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090810327 337886031 /nfs/dbraw/zinc/88/60/31/337886031.db2.gz FVPJJTHEPGKZSI-MAUKXSAKSA-N 2 2 315.461 3.566 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1nc2c(s1)CCCC2 ZINC000093370403 337915736 /nfs/dbraw/zinc/91/57/36/337915736.db2.gz NLOOKMWASHVDDM-HNNXBMFYSA-N 2 2 321.534 3.795 20 0 DHADLP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000162819141 337979153 /nfs/dbraw/zinc/97/91/53/337979153.db2.gz NPKOLJQGBDVMQI-PMACEKPBSA-N 2 2 321.468 3.976 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)o1 ZINC000428441749 338051691 /nfs/dbraw/zinc/05/16/91/338051691.db2.gz QVZHZFNRYHBCMF-IAGOWNOFSA-N 2 2 321.509 3.926 20 0 DHADLP Cc1[nH+]ccn1CC[NH+]1CCC(Cc2ccc(C)c(C)c2)CC1 ZINC000428711630 338059109 /nfs/dbraw/zinc/05/91/09/338059109.db2.gz QXDJJPHHQALMGL-UHFFFAOYSA-N 2 2 311.473 3.763 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H](C)CC2(OC)CCC2)[NH+](C)C)cc1 ZINC000429369986 338078906 /nfs/dbraw/zinc/07/89/06/338078906.db2.gz ZRGUEZQYMCFKCN-LPHOPBHVSA-N 2 2 318.505 3.789 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CCC1 ZINC000429378873 338079092 /nfs/dbraw/zinc/07/90/92/338079092.db2.gz ITAOHWFEUWRNKU-HKUYNNGSSA-N 2 2 316.489 3.761 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000429707632 338087767 /nfs/dbraw/zinc/08/77/67/338087767.db2.gz JRGJHPWJJQRQEJ-UHFFFAOYSA-N 2 2 300.377 3.573 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430079492 338095029 /nfs/dbraw/zinc/09/50/29/338095029.db2.gz RRCSODRJEJXDJI-KRWDZBQOSA-N 2 2 323.484 3.754 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430079492 338095030 /nfs/dbraw/zinc/09/50/30/338095030.db2.gz RRCSODRJEJXDJI-KRWDZBQOSA-N 2 2 323.484 3.754 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C3CCC3)C3CCC3)sc2C1 ZINC000430129592 338098432 /nfs/dbraw/zinc/09/84/32/338098432.db2.gz ZHOGDUYRLFAKPB-UHFFFAOYSA-N 2 2 319.518 3.817 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C3CCC3)C3CCC3)sc2C1 ZINC000430129592 338098433 /nfs/dbraw/zinc/09/84/33/338098433.db2.gz ZHOGDUYRLFAKPB-UHFFFAOYSA-N 2 2 319.518 3.817 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430589351 338109350 /nfs/dbraw/zinc/10/93/50/338109350.db2.gz HWFVBKJKHJEKEC-AWEZNQCLSA-N 2 2 307.463 3.517 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430589351 338109351 /nfs/dbraw/zinc/10/93/51/338109351.db2.gz HWFVBKJKHJEKEC-AWEZNQCLSA-N 2 2 307.463 3.517 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000430617254 338109888 /nfs/dbraw/zinc/10/98/88/338109888.db2.gz LAWWHOAOYXSPHX-SJKOYZFVSA-N 2 2 319.836 3.697 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000430617254 338109889 /nfs/dbraw/zinc/10/98/89/338109889.db2.gz LAWWHOAOYXSPHX-SJKOYZFVSA-N 2 2 319.836 3.697 20 0 DHADLP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000430796457 338115312 /nfs/dbraw/zinc/11/53/12/338115312.db2.gz YSUCSXSOSUTASC-MRXNPFEDSA-N 2 2 314.433 3.532 20 0 DHADLP c1ccc2cc(CC[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC000431161141 338124550 /nfs/dbraw/zinc/12/45/50/338124550.db2.gz NBBBUMUYYJHBFN-OAQYLSRUSA-N 2 2 318.420 3.931 20 0 DHADLP c1ccc2cc(CC[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC000431161141 338124551 /nfs/dbraw/zinc/12/45/51/338124551.db2.gz NBBBUMUYYJHBFN-OAQYLSRUSA-N 2 2 318.420 3.931 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432715827 338163899 /nfs/dbraw/zinc/16/38/99/338163899.db2.gz BMOSATRMIHZXGG-ZDUSSCGKSA-N 2 2 321.465 3.599 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432715827 338163900 /nfs/dbraw/zinc/16/39/00/338163900.db2.gz BMOSATRMIHZXGG-ZDUSSCGKSA-N 2 2 321.465 3.599 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432715827 338163901 /nfs/dbraw/zinc/16/39/01/338163901.db2.gz BMOSATRMIHZXGG-ZDUSSCGKSA-N 2 2 321.465 3.599 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432715827 338163902 /nfs/dbraw/zinc/16/39/02/338163902.db2.gz BMOSATRMIHZXGG-ZDUSSCGKSA-N 2 2 321.465 3.599 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432726918 338164430 /nfs/dbraw/zinc/16/44/30/338164430.db2.gz HEIOBUUIZOXADV-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432726918 338164431 /nfs/dbraw/zinc/16/44/31/338164431.db2.gz HEIOBUUIZOXADV-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432726918 338164432 /nfs/dbraw/zinc/16/44/32/338164432.db2.gz HEIOBUUIZOXADV-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432726918 338164433 /nfs/dbraw/zinc/16/44/33/338164433.db2.gz HEIOBUUIZOXADV-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000153000790 338215361 /nfs/dbraw/zinc/21/53/61/338215361.db2.gz NRVADDNBQIXBRW-HIFRSBDPSA-N 2 2 300.368 3.582 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000153000790 338215362 /nfs/dbraw/zinc/21/53/62/338215362.db2.gz NRVADDNBQIXBRW-HIFRSBDPSA-N 2 2 300.368 3.582 20 0 DHADLP CCCc1ccc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC000434665129 338222819 /nfs/dbraw/zinc/22/28/19/338222819.db2.gz ZEILALHFXDNWOW-UHFFFAOYSA-N 2 2 315.486 3.686 20 0 DHADLP Clc1ccc(CCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434994400 338229451 /nfs/dbraw/zinc/22/94/51/338229451.db2.gz IZKDGINRRFUALN-UHFFFAOYSA-N 2 2 303.837 3.875 20 0 DHADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000437089727 338300375 /nfs/dbraw/zinc/30/03/75/338300375.db2.gz CFPLGHFDNKSSCB-CQSZACIVSA-N 2 2 315.383 3.617 20 0 DHADLP Cc1ccc2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc2n1 ZINC000437592396 338315438 /nfs/dbraw/zinc/31/54/38/338315438.db2.gz RMLIJMFYJNCMDM-UHFFFAOYSA-N 2 2 323.484 3.994 20 0 DHADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000437772410 338320791 /nfs/dbraw/zinc/32/07/91/338320791.db2.gz ICZZDGGECOTKLU-UYAOXDASSA-N 2 2 309.457 3.984 20 0 DHADLP C[C@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000437800294 338322054 /nfs/dbraw/zinc/32/20/54/338322054.db2.gz XCSYLIMWJBXGBH-CVEARBPZSA-N 2 2 315.436 3.617 20 0 DHADLP C[C@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000437800294 338322055 /nfs/dbraw/zinc/32/20/55/338322055.db2.gz XCSYLIMWJBXGBH-CVEARBPZSA-N 2 2 315.436 3.617 20 0 DHADLP C[C@H]1CCC[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000437962458 338326473 /nfs/dbraw/zinc/32/64/73/338326473.db2.gz JSGLLMSEJGLXOF-HNJRGHQBSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@H]1CCC[C@@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000437962458 338326474 /nfs/dbraw/zinc/32/64/74/338326474.db2.gz JSGLLMSEJGLXOF-HNJRGHQBSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@H]1CCC[C@@H](C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000437962458 338326475 /nfs/dbraw/zinc/32/64/75/338326475.db2.gz JSGLLMSEJGLXOF-HNJRGHQBSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@H]1CCC[C@@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000437962458 338326476 /nfs/dbraw/zinc/32/64/76/338326476.db2.gz JSGLLMSEJGLXOF-HNJRGHQBSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@H](C[NH2+][C@H](Cc1ccccc1)C[NH+](C)C)c1ccc(F)cc1 ZINC000438082420 338330413 /nfs/dbraw/zinc/33/04/13/338330413.db2.gz UYYKYGAVISFWSQ-OXQOHEQNSA-N 2 2 314.448 3.692 20 0 DHADLP Fc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000438126423 338333701 /nfs/dbraw/zinc/33/37/01/338333701.db2.gz YONVFFOEKOHEJY-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000438126423 338333702 /nfs/dbraw/zinc/33/37/02/338333702.db2.gz YONVFFOEKOHEJY-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000438126423 338333703 /nfs/dbraw/zinc/33/37/03/338333703.db2.gz YONVFFOEKOHEJY-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000438126423 338333704 /nfs/dbraw/zinc/33/37/04/338333704.db2.gz YONVFFOEKOHEJY-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)CCC2 ZINC000438203963 338336405 /nfs/dbraw/zinc/33/64/05/338336405.db2.gz XKBNGFUOXNCULV-BFHYXJOUSA-N 2 2 315.383 3.780 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449208046 338602416 /nfs/dbraw/zinc/60/24/16/338602416.db2.gz NPISPASMYABPNA-AWEZNQCLSA-N 2 2 306.331 3.627 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cc(C3CC3)ccc2F)s1 ZINC000449372232 338618632 /nfs/dbraw/zinc/61/86/32/338618632.db2.gz DVJDYZDELLVKQG-UHFFFAOYSA-N 2 2 319.449 3.511 20 0 DHADLP c1cc(C[NH+]2CCC([NH2+]CC3CCCCCC3)CC2)ccn1 ZINC000449484702 338629741 /nfs/dbraw/zinc/62/97/41/338629741.db2.gz IXNUTWBSLWQGHX-UHFFFAOYSA-N 2 2 301.478 3.606 20 0 DHADLP CO[C@@H]1CCC[C@H]1[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000451629260 338740629 /nfs/dbraw/zinc/74/06/29/338740629.db2.gz DAUWMYAVEXKVOP-IEBWSBKVSA-N 2 2 315.461 3.672 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000453116164 338795714 /nfs/dbraw/zinc/79/57/14/338795714.db2.gz HZOOUDUXDRLZOD-QGZVFWFLSA-N 2 2 320.440 3.768 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459317270 339021389 /nfs/dbraw/zinc/02/13/89/339021389.db2.gz BREXMQAOKMUDFO-GFCCVEGCSA-N 2 2 311.351 3.674 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459317270 339021390 /nfs/dbraw/zinc/02/13/90/339021390.db2.gz BREXMQAOKMUDFO-GFCCVEGCSA-N 2 2 311.351 3.674 20 0 DHADLP C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1CCc1c[nH+]cn1C ZINC000459378137 339025700 /nfs/dbraw/zinc/02/57/00/339025700.db2.gz YUTQERPJTIRUCM-NSHDSACASA-N 2 2 324.255 3.889 20 0 DHADLP C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459378137 339025701 /nfs/dbraw/zinc/02/57/01/339025701.db2.gz YUTQERPJTIRUCM-NSHDSACASA-N 2 2 324.255 3.889 20 0 DHADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000459438356 339029271 /nfs/dbraw/zinc/02/92/71/339029271.db2.gz LKLPRWUBUKTQAP-GOSISDBHSA-N 2 2 308.416 3.878 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)no1 ZINC000459471993 339031179 /nfs/dbraw/zinc/03/11/79/339031179.db2.gz WFYQJNNTIPNZRA-UHFFFAOYSA-N 2 2 313.445 3.505 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000459655329 339040848 /nfs/dbraw/zinc/04/08/48/339040848.db2.gz GBKNYBWIXHAZOI-IRXDYDNUSA-N 2 2 303.837 3.542 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)nc1C ZINC000459661316 339041247 /nfs/dbraw/zinc/04/12/47/339041247.db2.gz GAQAIXFOXJGZTE-QRWLVFNGSA-N 2 2 315.505 3.831 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000459662149 339041383 /nfs/dbraw/zinc/04/13/83/339041383.db2.gz NOTSSRAGJHGVSU-HOCLYGCPSA-N 2 2 303.837 3.542 20 0 DHADLP Cc1ccn2c(CNc3ccc(C[NH+](C)C)c(C)c3)c[nH+]c2c1 ZINC000459737077 339045299 /nfs/dbraw/zinc/04/52/99/339045299.db2.gz GXXYJWQXJCSNNE-UHFFFAOYSA-N 2 2 308.429 3.625 20 0 DHADLP Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1C[NH+](C)C ZINC000459756897 339046517 /nfs/dbraw/zinc/04/65/17/339046517.db2.gz KLCWUKWOHPCKSM-UHFFFAOYSA-N 2 2 324.472 3.533 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000461367452 339062451 /nfs/dbraw/zinc/06/24/51/339062451.db2.gz SKNXDXLIMYQPBX-BZNIZROVSA-N 2 2 313.272 3.864 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000461367452 339062452 /nfs/dbraw/zinc/06/24/52/339062452.db2.gz SKNXDXLIMYQPBX-BZNIZROVSA-N 2 2 313.272 3.864 20 0 DHADLP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000462504548 339080335 /nfs/dbraw/zinc/08/03/35/339080335.db2.gz AWDQFTHHTXGYFG-KRWDZBQOSA-N 2 2 319.408 3.904 20 0 DHADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462793867 339089128 /nfs/dbraw/zinc/08/91/28/339089128.db2.gz SLVCAUQWXMJTPF-KRWDZBQOSA-N 2 2 316.489 3.545 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000463010340 339100383 /nfs/dbraw/zinc/10/03/83/339100383.db2.gz MORAIRLAMNZGOL-ZRGWGRIASA-N 2 2 316.489 3.997 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000463010340 339100384 /nfs/dbraw/zinc/10/03/84/339100384.db2.gz MORAIRLAMNZGOL-ZRGWGRIASA-N 2 2 316.489 3.997 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000467349071 339233193 /nfs/dbraw/zinc/23/31/93/339233193.db2.gz HWDWFUDPXOBDLJ-XJKCOSOUSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000467349071 339233194 /nfs/dbraw/zinc/23/31/94/339233194.db2.gz HWDWFUDPXOBDLJ-XJKCOSOUSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@@H](C[NH2+]CCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000470366135 339318321 /nfs/dbraw/zinc/31/83/21/339318321.db2.gz VINJDKVOIZOJOB-AWEZNQCLSA-N 2 2 303.837 3.930 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470960016 339333005 /nfs/dbraw/zinc/33/30/05/339333005.db2.gz OCIOAOOAYHDYLC-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470960016 339333006 /nfs/dbraw/zinc/33/30/06/339333006.db2.gz OCIOAOOAYHDYLC-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470960016 339333007 /nfs/dbraw/zinc/33/30/07/339333007.db2.gz OCIOAOOAYHDYLC-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470960016 339333008 /nfs/dbraw/zinc/33/30/08/339333008.db2.gz OCIOAOOAYHDYLC-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP Cc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000472081240 339363119 /nfs/dbraw/zinc/36/31/19/339363119.db2.gz ZDCCTPFOVBOVMQ-BEFAXECRSA-N 2 2 300.421 3.915 20 0 DHADLP C[C@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)C1CCC(F)(F)CC1 ZINC000474056171 339399718 /nfs/dbraw/zinc/39/97/18/339399718.db2.gz LIHKSOPWHJRVFB-MAUKXSAKSA-N 2 2 324.459 3.963 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1nc2c(s1)CCCC2 ZINC000477917345 339504486 /nfs/dbraw/zinc/50/44/86/339504486.db2.gz GWLRZEHASLBPBC-AWEZNQCLSA-N 2 2 321.534 3.795 20 0 DHADLP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000479489655 339537829 /nfs/dbraw/zinc/53/78/29/339537829.db2.gz QWENQDRFBPGIGZ-NRXISQOPSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480394139 339572071 /nfs/dbraw/zinc/57/20/71/339572071.db2.gz HLNJMQPEARKTSZ-GFCCVEGCSA-N 2 2 308.372 3.655 20 0 DHADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CS1 ZINC000488326353 339777207 /nfs/dbraw/zinc/77/72/07/339777207.db2.gz LOHHEDDHELEFNO-DOTOQJQBSA-N 2 2 315.486 3.882 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000499694832 340042954 /nfs/dbraw/zinc/04/29/54/340042954.db2.gz CFZRWWKIVFXDLA-DJIMGWMZSA-N 2 2 308.416 3.817 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000499694832 340042955 /nfs/dbraw/zinc/04/29/55/340042955.db2.gz CFZRWWKIVFXDLA-DJIMGWMZSA-N 2 2 308.416 3.817 20 0 DHADLP COCC[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000502501270 340106138 /nfs/dbraw/zinc/10/61/38/340106138.db2.gz LHGFBGMTACBESK-MOPGFXCFSA-N 2 2 322.537 3.828 20 0 DHADLP CC[C@H]1C[C@@H](C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000503580982 340131459 /nfs/dbraw/zinc/13/14/59/340131459.db2.gz HXIOLZFVAVYATR-OALUTQOASA-N 2 2 318.505 3.692 20 0 DHADLP CC[C@H]1C[C@@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000503580982 340131460 /nfs/dbraw/zinc/13/14/60/340131460.db2.gz HXIOLZFVAVYATR-OALUTQOASA-N 2 2 318.505 3.692 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000504927994 340156493 /nfs/dbraw/zinc/15/64/93/340156493.db2.gz XQLBCHCOAOGILS-MTNOOBJLSA-N 2 2 316.489 3.632 20 0 DHADLP CC1CC[NH+](CCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000507879838 340235056 /nfs/dbraw/zinc/23/50/56/340235056.db2.gz LREXJWFEJZYJKD-QGZVFWFLSA-N 2 2 308.416 3.664 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000301136154 340246436 /nfs/dbraw/zinc/24/64/36/340246436.db2.gz ZHLPACSUEQDQHR-HXUWFJFHSA-N 2 2 324.468 3.763 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000301136154 340246437 /nfs/dbraw/zinc/24/64/37/340246437.db2.gz ZHLPACSUEQDQHR-HXUWFJFHSA-N 2 2 324.468 3.763 20 0 DHADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000508763949 340252765 /nfs/dbraw/zinc/25/27/65/340252765.db2.gz JYCMENRTWMMVGF-INIZCTEOSA-N 2 2 306.881 3.956 20 0 DHADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000508763949 340252766 /nfs/dbraw/zinc/25/27/66/340252766.db2.gz JYCMENRTWMMVGF-INIZCTEOSA-N 2 2 306.881 3.956 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000509578532 340274055 /nfs/dbraw/zinc/27/40/55/340274055.db2.gz HWZZPJIEEBDISV-UWJYYQICSA-N 2 2 324.468 3.750 20 0 DHADLP Cc1cccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2cccc(F)c2)c1 ZINC000510694213 340306878 /nfs/dbraw/zinc/30/68/78/340306878.db2.gz HAGFPWQXJWPUTL-LJQANCHMSA-N 2 2 309.388 3.710 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1 ZINC000512170164 340350841 /nfs/dbraw/zinc/35/08/41/340350841.db2.gz QHPYUOAOYBULFT-QGZVFWFLSA-N 2 2 304.453 3.770 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000512170164 340350842 /nfs/dbraw/zinc/35/08/42/340350842.db2.gz QHPYUOAOYBULFT-QGZVFWFLSA-N 2 2 304.453 3.770 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C[N@@H+]1C1CC1 ZINC000512584202 340367982 /nfs/dbraw/zinc/36/79/82/340367982.db2.gz XEYMSFZJXQZXBH-CJNGLKHVSA-N 2 2 317.864 3.510 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C[N@H+]1C1CC1 ZINC000512584202 340367983 /nfs/dbraw/zinc/36/79/83/340367983.db2.gz XEYMSFZJXQZXBH-CJNGLKHVSA-N 2 2 317.864 3.510 20 0 DHADLP C[C@@H](C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)C[NH+](C)C ZINC000517471812 340470303 /nfs/dbraw/zinc/47/03/03/340470303.db2.gz YGTDNHPHXFTXLK-LBPRGKRZSA-N 2 2 323.893 3.751 20 0 DHADLP CCCOc1cccc2c(N3CCC([NH+](C)C)CC3)cc[nH+]c12 ZINC000194702502 340595014 /nfs/dbraw/zinc/59/50/14/340595014.db2.gz XRFQRKPOUHLGHB-UHFFFAOYSA-N 2 2 313.445 3.554 20 0 DHADLP COc1cccc([C@H](C[NH2+]C[C@@H]2CC=CCC2)[NH+]2CCCC2)c1 ZINC000237315424 340669785 /nfs/dbraw/zinc/66/97/85/340669785.db2.gz RPDVBJJYAZUPOL-XLIONFOSSA-N 2 2 314.473 3.778 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CCc2ccccc2C)n1-c1ccccc1 ZINC000237725868 340673344 /nfs/dbraw/zinc/67/33/44/340673344.db2.gz JIVCMIGCRXZCBF-UHFFFAOYSA-N 2 2 305.425 3.821 20 0 DHADLP COc1ccc(C(C)(C)[NH2+]CCCc2c[nH+]ccc2C)cc1F ZINC000529649861 340766796 /nfs/dbraw/zinc/76/67/96/340766796.db2.gz CLEHPMCPNRNZFT-UHFFFAOYSA-N 2 2 316.420 3.995 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1OC(F)(F)F ZINC000530219796 340783015 /nfs/dbraw/zinc/78/30/15/340783015.db2.gz MXCDLLRSNVRYCN-FZMZJTMJSA-N 2 2 314.351 3.520 20 0 DHADLP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222113 340783042 /nfs/dbraw/zinc/78/30/42/340783042.db2.gz QHMBVMKFAVCRHW-MAUKXSAKSA-N 2 2 302.462 3.657 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000530226282 340783298 /nfs/dbraw/zinc/78/32/98/340783298.db2.gz ZLJXAWFWVTZDMT-HUUCEWRRSA-N 2 2 323.278 3.774 20 0 DHADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000539499508 340887982 /nfs/dbraw/zinc/88/79/82/340887982.db2.gz GEQAKQGACJSAFV-DLBZAZTESA-N 2 2 315.461 3.679 20 0 DHADLP C[NH+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000542772906 341019764 /nfs/dbraw/zinc/01/97/64/341019764.db2.gz DWSLNEHHVZZEEV-GOSISDBHSA-N 2 2 302.849 3.971 20 0 DHADLP COc1ccc(C2CCC([NH2+]CC[N@@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC000543403700 341042499 /nfs/dbraw/zinc/04/24/99/341042499.db2.gz KFMLBELBQFLZIZ-LRYGQEGESA-N 2 2 316.489 3.653 20 0 DHADLP COc1ccc(C2CCC([NH2+]CC[N@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC000543403700 341042500 /nfs/dbraw/zinc/04/25/00/341042500.db2.gz KFMLBELBQFLZIZ-LRYGQEGESA-N 2 2 316.489 3.653 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1nc(C(C)(C)C)cs1 ZINC000543511041 341048136 /nfs/dbraw/zinc/04/81/36/341048136.db2.gz CBUXVMQEIMRLSD-ZIAGYGMSSA-N 2 2 309.523 3.966 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1nc(C(C)(C)C)cs1 ZINC000543511041 341048137 /nfs/dbraw/zinc/04/81/37/341048137.db2.gz CBUXVMQEIMRLSD-ZIAGYGMSSA-N 2 2 309.523 3.966 20 0 DHADLP c1ccc(NC2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)[nH+]c1 ZINC000543843536 341061272 /nfs/dbraw/zinc/06/12/72/341061272.db2.gz UPZHFSUHISVYNG-KRWDZBQOSA-N 2 2 321.468 3.763 20 0 DHADLP Cc1ccc(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543988462 341065388 /nfs/dbraw/zinc/06/53/88/341065388.db2.gz RFQRMNIGYLOTSZ-UHFFFAOYSA-N 2 2 311.473 3.926 20 0 DHADLP c1cn(-c2csc(C[NH+]3CCc4ccccc4CC3)c2)c[nH+]1 ZINC000544350081 341077512 /nfs/dbraw/zinc/07/75/12/341077512.db2.gz XASHJGOEOIIKGJ-UHFFFAOYSA-N 2 2 309.438 3.535 20 0 DHADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]2CCCC[C@H]12 ZINC000544372303 341078792 /nfs/dbraw/zinc/07/87/92/341078792.db2.gz YZJHFVBVMDVLLG-XYPHTWIQSA-N 2 2 301.459 3.944 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]2CCCC[C@H]12 ZINC000544372303 341078793 /nfs/dbraw/zinc/07/87/93/341078793.db2.gz YZJHFVBVMDVLLG-XYPHTWIQSA-N 2 2 301.459 3.944 20 0 DHADLP CCC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccnc1 ZINC000544569000 341086237 /nfs/dbraw/zinc/08/62/37/341086237.db2.gz NHRCKTHRIFAKAQ-IBGZPJMESA-N 2 2 306.413 3.898 20 0 DHADLP CCC[C@@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544893750 341097583 /nfs/dbraw/zinc/09/75/83/341097583.db2.gz KFULQELQPRQRBJ-GFCCVEGCSA-N 2 2 324.266 3.726 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719613 341101604 /nfs/dbraw/zinc/10/16/04/341101604.db2.gz CLEIDYYJASYYEJ-LSDHHAIUSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719613 341101605 /nfs/dbraw/zinc/10/16/05/341101605.db2.gz CLEIDYYJASYYEJ-LSDHHAIUSA-N 2 2 308.416 3.834 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCCOc1c(C)cccc1C ZINC000564299162 341152398 /nfs/dbraw/zinc/15/23/98/341152398.db2.gz TVSALBHNLYLLJI-UHFFFAOYSA-N 2 2 312.457 3.998 20 0 DHADLP CC[C@@H](C)C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546759921 341181872 /nfs/dbraw/zinc/18/18/72/341181872.db2.gz LDOYMNKOGNJFRB-LLVKDONJSA-N 2 2 324.266 3.583 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000546873248 341184645 /nfs/dbraw/zinc/18/46/45/341184645.db2.gz RMQKBTDTKBXHQZ-NUEKZKHPSA-N 2 2 314.395 3.970 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000546873248 341184646 /nfs/dbraw/zinc/18/46/46/341184646.db2.gz RMQKBTDTKBXHQZ-NUEKZKHPSA-N 2 2 314.395 3.970 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)nc1 ZINC000133750137 341185083 /nfs/dbraw/zinc/18/50/83/341185083.db2.gz PMJSYVKSLXNWHR-OAQYLSRUSA-N 2 2 323.484 3.563 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)nc1 ZINC000133750137 341185084 /nfs/dbraw/zinc/18/50/84/341185084.db2.gz PMJSYVKSLXNWHR-OAQYLSRUSA-N 2 2 323.484 3.563 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)o1 ZINC000136078125 341252433 /nfs/dbraw/zinc/25/24/33/341252433.db2.gz PZGXKEHCBMDXQA-GUYCJALGSA-N 2 2 316.420 3.894 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000550796030 341323029 /nfs/dbraw/zinc/32/30/29/341323029.db2.gz RAYSXHRSUAXCBR-IHPCNDPISA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000550796030 341323030 /nfs/dbraw/zinc/32/30/30/341323030.db2.gz RAYSXHRSUAXCBR-IHPCNDPISA-N 2 2 316.489 3.588 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cn2ccccc2n1 ZINC000550885618 341325449 /nfs/dbraw/zinc/32/54/49/341325449.db2.gz ITJRPQLNFFCTMC-MRXNPFEDSA-N 2 2 314.477 3.640 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cn2ccccc2n1 ZINC000550885618 341325450 /nfs/dbraw/zinc/32/54/50/341325450.db2.gz ITJRPQLNFFCTMC-MRXNPFEDSA-N 2 2 314.477 3.640 20 0 DHADLP CCCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000551380432 341340060 /nfs/dbraw/zinc/34/00/60/341340060.db2.gz IIRULCPAUCZJLB-FQEVSTJZSA-N 2 2 316.489 3.542 20 0 DHADLP CCCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000551380432 341340061 /nfs/dbraw/zinc/34/00/61/341340061.db2.gz IIRULCPAUCZJLB-FQEVSTJZSA-N 2 2 316.489 3.542 20 0 DHADLP CCCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000551380432 341340062 /nfs/dbraw/zinc/34/00/62/341340062.db2.gz IIRULCPAUCZJLB-FQEVSTJZSA-N 2 2 316.489 3.542 20 0 DHADLP CCCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000551380432 341340063 /nfs/dbraw/zinc/34/00/63/341340063.db2.gz IIRULCPAUCZJLB-FQEVSTJZSA-N 2 2 316.489 3.542 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1 ZINC000551542149 341344840 /nfs/dbraw/zinc/34/48/40/341344840.db2.gz ZFCGFFVMQVQTDM-NSISKUIASA-N 2 2 316.489 3.509 20 0 DHADLP Cc1ccc(C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CC2)cc1 ZINC000551816957 341352934 /nfs/dbraw/zinc/35/29/34/341352934.db2.gz GFTJAUQHMJSBFO-LJQANCHMSA-N 2 2 309.457 3.639 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246529349 341353114 /nfs/dbraw/zinc/35/31/14/341353114.db2.gz JHOATPSWXXKUST-MUKKUYKPSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246529349 341353115 /nfs/dbraw/zinc/35/31/15/341353115.db2.gz JHOATPSWXXKUST-MUKKUYKPSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246529349 341353116 /nfs/dbraw/zinc/35/31/16/341353116.db2.gz JHOATPSWXXKUST-MUKKUYKPSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246529349 341353117 /nfs/dbraw/zinc/35/31/17/341353117.db2.gz JHOATPSWXXKUST-MUKKUYKPSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836454 341357472 /nfs/dbraw/zinc/35/74/72/341357472.db2.gz OKSRUQISTTXEFS-BIENJYKASA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836454 341357473 /nfs/dbraw/zinc/35/74/73/341357473.db2.gz OKSRUQISTTXEFS-BIENJYKASA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246836454 341357474 /nfs/dbraw/zinc/35/74/74/341357474.db2.gz OKSRUQISTTXEFS-BIENJYKASA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246836454 341357475 /nfs/dbraw/zinc/35/74/75/341357475.db2.gz OKSRUQISTTXEFS-BIENJYKASA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246930881 341358811 /nfs/dbraw/zinc/35/88/11/341358811.db2.gz DNFOBFRFPJQHKF-GDBMZVCRSA-N 2 2 308.416 3.976 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246930881 341358812 /nfs/dbraw/zinc/35/88/12/341358812.db2.gz DNFOBFRFPJQHKF-GDBMZVCRSA-N 2 2 308.416 3.976 20 0 DHADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247177809 341361967 /nfs/dbraw/zinc/36/19/67/341361967.db2.gz SXOOYVWMTKHLAJ-BQFCYCMXSA-N 2 2 304.478 3.745 20 0 DHADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247177809 341361968 /nfs/dbraw/zinc/36/19/68/341361968.db2.gz SXOOYVWMTKHLAJ-BQFCYCMXSA-N 2 2 304.478 3.745 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2CCF)[NH+](C)C)cc1 ZINC000552050713 341365108 /nfs/dbraw/zinc/36/51/08/341365108.db2.gz PSMLMBCVKROZRW-QRQLOZEOSA-N 2 2 306.469 3.970 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)c(C)c2c1 ZINC000248170972 341374347 /nfs/dbraw/zinc/37/43/47/341374347.db2.gz USTPBUBDAZHBRQ-QEJZJMRPSA-N 2 2 316.445 3.883 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c(C)c2c1 ZINC000248170972 341374348 /nfs/dbraw/zinc/37/43/48/341374348.db2.gz USTPBUBDAZHBRQ-QEJZJMRPSA-N 2 2 316.445 3.883 20 0 DHADLP C[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000564391360 341391168 /nfs/dbraw/zinc/39/11/68/341391168.db2.gz ZDKDXAINDFHAIE-LSDHHAIUSA-N 2 2 319.493 3.715 20 0 DHADLP C[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000564391360 341391169 /nfs/dbraw/zinc/39/11/69/341391169.db2.gz ZDKDXAINDFHAIE-LSDHHAIUSA-N 2 2 319.493 3.715 20 0 DHADLP C[C@H](CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000248996243 341391601 /nfs/dbraw/zinc/39/16/01/341391601.db2.gz OZDWEOVMAPOJGS-MSOLQXFVSA-N 2 2 311.473 3.868 20 0 DHADLP C[C@H](CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000248996243 341391602 /nfs/dbraw/zinc/39/16/02/341391602.db2.gz OZDWEOVMAPOJGS-MSOLQXFVSA-N 2 2 311.473 3.868 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CC2)cc1 ZINC000091282947 341424057 /nfs/dbraw/zinc/42/40/57/341424057.db2.gz FUGQYCCAUXXBJM-HXUWFJFHSA-N 2 2 305.425 3.926 20 0 DHADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554050378 341441754 /nfs/dbraw/zinc/44/17/54/341441754.db2.gz LCDIVZBKJSRWQK-MOPGFXCFSA-N 2 2 302.437 3.568 20 0 DHADLP C[C@@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000566089048 341547358 /nfs/dbraw/zinc/54/73/58/341547358.db2.gz GDCFHVPBOPYBOJ-VMGRFDJRSA-N 2 2 304.434 3.707 20 0 DHADLP c1cncc(C[NH+]2CCC([NH2+]CCCC3CCCCC3)CC2)c1 ZINC000153543560 341574537 /nfs/dbraw/zinc/57/45/37/341574537.db2.gz BNIASWGGNITLRD-UHFFFAOYSA-N 2 2 315.505 3.996 20 0 DHADLP CCCCCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155733254 341612322 /nfs/dbraw/zinc/61/23/22/341612322.db2.gz VXXTVJDAPSXWOB-MRXNPFEDSA-N 2 2 301.434 3.803 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000271922971 341625484 /nfs/dbraw/zinc/62/54/84/341625484.db2.gz IJDFSHOFEOLRHS-AWEZNQCLSA-N 2 2 315.486 3.767 20 0 DHADLP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000267971799 519079588 /nfs/dbraw/zinc/07/95/88/519079588.db2.gz CAOSJKFWOFERIU-LBPRGKRZSA-N 2 2 304.463 3.543 20 0 DHADLP CC(C)(C)c1csc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000267971799 519079599 /nfs/dbraw/zinc/07/95/99/519079599.db2.gz CAOSJKFWOFERIU-LBPRGKRZSA-N 2 2 304.463 3.543 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccsc3)CC2)CS1 ZINC000364857073 519805774 /nfs/dbraw/zinc/80/57/74/519805774.db2.gz JPDPJSXEFDULFM-IRXDYDNUSA-N 2 2 324.559 3.832 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1c1cc[nH+]c(C(C)C)n1 ZINC000364829404 519879641 /nfs/dbraw/zinc/87/96/41/519879641.db2.gz YWTPGNHLTHJWOZ-HNNXBMFYSA-N 2 2 313.449 3.589 20 0 DHADLP CC[NH+](CC)[C@H](c1nc([C@@H]([NH3+])CC(C)C)no1)c1ccccc1 ZINC000339390972 520868788 /nfs/dbraw/zinc/86/87/88/520868788.db2.gz HORRRMHVDYLOSQ-HOTGVXAUSA-N 2 2 316.449 3.547 20 0 DHADLP CCOc1ccc([C@@H](CC)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OCC ZINC000154630478 521228142 /nfs/dbraw/zinc/22/81/42/521228142.db2.gz DQCCUNUHLHEJKD-IAGOWNOFSA-N 2 2 320.477 3.619 20 0 DHADLP CCOc1ccc([C@@H](CC)[NH2+]C[C@H]2CCC[N@H+]2C)cc1OCC ZINC000154630478 521228150 /nfs/dbraw/zinc/22/81/50/521228150.db2.gz DQCCUNUHLHEJKD-IAGOWNOFSA-N 2 2 320.477 3.619 20 0 DHADLP CCOc1ccc([C@@H](CC)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OCC ZINC000154630292 521229367 /nfs/dbraw/zinc/22/93/67/521229367.db2.gz DQCCUNUHLHEJKD-DLBZAZTESA-N 2 2 320.477 3.619 20 0 DHADLP CCOc1ccc([C@@H](CC)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OCC ZINC000154630292 521229374 /nfs/dbraw/zinc/22/93/74/521229374.db2.gz DQCCUNUHLHEJKD-DLBZAZTESA-N 2 2 320.477 3.619 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000156584163 521640768 /nfs/dbraw/zinc/64/07/68/521640768.db2.gz LUBKTFNTXYKFEY-DZGCQCFKSA-N 2 2 308.491 3.552 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000156584163 521640774 /nfs/dbraw/zinc/64/07/74/521640774.db2.gz LUBKTFNTXYKFEY-DZGCQCFKSA-N 2 2 308.491 3.552 20 0 DHADLP CCSc1cccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000364215259 521756024 /nfs/dbraw/zinc/75/60/24/521756024.db2.gz KEEGIOUYKYJMLE-UHFFFAOYSA-N 2 2 324.453 3.669 20 0 DHADLP CCc1cccc2c(C3CC[NH+](CCn4cc[nH+]c4)CC3)c[nH]c21 ZINC000130729426 521787801 /nfs/dbraw/zinc/78/78/01/521787801.db2.gz BLUIZUQLNFJEJR-UHFFFAOYSA-N 2 2 322.456 3.806 20 0 DHADLP CCc1nc2c(s1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CCC2 ZINC000163827068 522472397 /nfs/dbraw/zinc/47/23/97/522472397.db2.gz QOLLADITPGJNJO-ZDUSSCGKSA-N 2 2 316.474 3.570 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)COC(C)C)ccc2n1C1CC1 ZINC000338436092 522482070 /nfs/dbraw/zinc/48/20/70/522482070.db2.gz GXVLFLISIDOSSY-CQSZACIVSA-N 2 2 315.461 3.837 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000163736023 522725011 /nfs/dbraw/zinc/72/50/11/522725011.db2.gz SIKPRADXNYLICD-FFZOFVMBSA-N 2 2 309.457 3.643 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000163736023 522725020 /nfs/dbraw/zinc/72/50/20/522725020.db2.gz SIKPRADXNYLICD-FFZOFVMBSA-N 2 2 309.457 3.643 20 0 DHADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc2cc(OC)ccc2c1 ZINC000155683291 522844378 /nfs/dbraw/zinc/84/43/78/522844378.db2.gz GIKHIAQSKFVLKB-LJQANCHMSA-N 2 2 309.413 3.786 20 0 DHADLP C[NH+]1CCC([NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000129647900 523777412 /nfs/dbraw/zinc/77/74/12/523777412.db2.gz WBDQSNNVWNXQNO-GOSISDBHSA-N 2 2 314.473 3.897 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129635451 524513426 /nfs/dbraw/zinc/51/34/26/524513426.db2.gz BZGICUFWQXDHMS-CJNGLKHVSA-N 2 2 321.371 3.568 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129635451 524513436 /nfs/dbraw/zinc/51/34/36/524513436.db2.gz BZGICUFWQXDHMS-CJNGLKHVSA-N 2 2 321.371 3.568 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000156444496 524513816 /nfs/dbraw/zinc/51/38/16/524513816.db2.gz SIAMLJOKNLJIJR-CJNGLKHVSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000156444496 524513821 /nfs/dbraw/zinc/51/38/21/524513821.db2.gz SIAMLJOKNLJIJR-CJNGLKHVSA-N 2 2 323.362 3.985 20 0 DHADLP Cc1cc(C[NH+](C)C)cc(N[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000128821448 524658302 /nfs/dbraw/zinc/65/83/02/524658302.db2.gz MXXXLRFGKRSVJF-IBGZPJMESA-N 2 2 320.440 3.981 20 0 DHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cscn2)CC1 ZINC000271197911 525136339 /nfs/dbraw/zinc/13/63/39/525136339.db2.gz YUALDKFBMALHDH-OAHLLOKOSA-N 2 2 315.486 3.767 20 0 DHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cncs2)CC1 ZINC000162141338 525137769 /nfs/dbraw/zinc/13/77/69/525137769.db2.gz JZXQFELRLOIGET-OAHLLOKOSA-N 2 2 315.486 3.767 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000367617055 525276043 /nfs/dbraw/zinc/27/60/43/525276043.db2.gz PPLNNMQLDOXGNR-YOEHRIQHSA-N 2 2 312.461 3.506 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000367617054 525276488 /nfs/dbraw/zinc/27/64/88/525276488.db2.gz PPLNNMQLDOXGNR-WMLDXEAASA-N 2 2 312.461 3.506 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000366038929 525444193 /nfs/dbraw/zinc/44/41/93/525444193.db2.gz NKJJYAOEMVABEZ-FRRDWIJNSA-N 2 2 309.866 3.770 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccsc2S1 ZINC000336826514 525445293 /nfs/dbraw/zinc/44/52/93/525445293.db2.gz QIRXYRXSTDVVFD-RZFFKMDDSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ccsc2S1 ZINC000336826514 525445300 /nfs/dbraw/zinc/44/53/00/525445300.db2.gz QIRXYRXSTDVVFD-RZFFKMDDSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177183672 525463898 /nfs/dbraw/zinc/46/38/98/525463898.db2.gz BIUHJUABBOGHMZ-APWZRJJASA-N 2 2 318.424 3.645 20 0 DHADLP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177183672 525463906 /nfs/dbraw/zinc/46/39/06/525463906.db2.gz BIUHJUABBOGHMZ-APWZRJJASA-N 2 2 318.424 3.645 20 0 DHADLP Cc1c2cccc(Cl)c2sc1C[NH2+]CCn1cc[nH+]c1 ZINC000339165944 525972869 /nfs/dbraw/zinc/97/28/69/525972869.db2.gz QEHYDUALDHKNTL-UHFFFAOYSA-N 2 2 305.834 3.849 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367440088 526073037 /nfs/dbraw/zinc/07/30/37/526073037.db2.gz ZKZIYSUZSLTDMI-ZDUSSCGKSA-N 2 2 301.459 3.792 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCOC4(CCCCC4)C3)n2c1 ZINC000157669576 526258361 /nfs/dbraw/zinc/25/83/61/526258361.db2.gz LYYLBIHGJRTWLK-INIZCTEOSA-N 2 2 313.445 3.614 20 0 DHADLP FCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000338000630 526285591 /nfs/dbraw/zinc/28/55/91/526285591.db2.gz ZIOOEGDMKSIYKM-NVXWUHKLSA-N 2 2 301.409 3.880 20 0 DHADLP FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000337985257 526285740 /nfs/dbraw/zinc/28/57/40/526285740.db2.gz FBKXJSYPLBTYPT-FUHWJXTLSA-N 2 2 301.409 3.880 20 0 DHADLP FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000337997264 526285800 /nfs/dbraw/zinc/28/58/00/526285800.db2.gz QADLDIXTAOUVIS-MOPGFXCFSA-N 2 2 315.436 3.939 20 0 DHADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000338204636 526350640 /nfs/dbraw/zinc/35/06/40/526350640.db2.gz FIKQWHWUQNHEFZ-MRXNPFEDSA-N 2 2 317.383 3.829 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000180791780 526436363 /nfs/dbraw/zinc/43/63/63/526436363.db2.gz NEJRTLSFUQAAJZ-OAHLLOKOSA-N 2 2 312.413 3.646 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000180791780 526436365 /nfs/dbraw/zinc/43/63/65/526436365.db2.gz NEJRTLSFUQAAJZ-OAHLLOKOSA-N 2 2 312.413 3.646 20 0 DHADLP Cc1sccc1C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000339238317 526920194 /nfs/dbraw/zinc/92/01/94/526920194.db2.gz MCOQTTSPDJYPJK-KSSFIOAISA-N 2 2 300.471 3.982 20 0 DHADLP Cc1sccc1C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000339238317 526920201 /nfs/dbraw/zinc/92/02/01/526920201.db2.gz MCOQTTSPDJYPJK-KSSFIOAISA-N 2 2 300.471 3.982 20 0 DHADLP Cc1nc2c(s1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CCC2 ZINC000162901149 527111758 /nfs/dbraw/zinc/11/17/58/527111758.db2.gz SINOPGPALLTBOI-CQSZACIVSA-N 2 2 316.474 3.706 20 0 DHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000106166035 527428085 /nfs/dbraw/zinc/42/80/85/527428085.db2.gz BFNLYVCLOOQYIA-UHFFFAOYSA-N 2 2 321.827 3.667 20 0 DHADLP CC[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000328623639 529223218 /nfs/dbraw/zinc/22/32/18/529223218.db2.gz CAFIXMRESVDRQY-KANFNMMFSA-N 2 2 301.478 3.633 20 0 DHADLP CC[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000328623639 529223219 /nfs/dbraw/zinc/22/32/19/529223219.db2.gz CAFIXMRESVDRQY-KANFNMMFSA-N 2 2 301.478 3.633 20 0 DHADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000328623640 529305268 /nfs/dbraw/zinc/30/52/68/529305268.db2.gz CAFIXMRESVDRQY-LULLPPNCSA-N 2 2 301.478 3.633 20 0 DHADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000328623640 529305271 /nfs/dbraw/zinc/30/52/71/529305271.db2.gz CAFIXMRESVDRQY-LULLPPNCSA-N 2 2 301.478 3.633 20 0 DHADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000328623638 529316059 /nfs/dbraw/zinc/31/60/59/529316059.db2.gz CAFIXMRESVDRQY-BVBHFADKSA-N 2 2 301.478 3.633 20 0 DHADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000328623638 529316060 /nfs/dbraw/zinc/31/60/60/529316060.db2.gz CAFIXMRESVDRQY-BVBHFADKSA-N 2 2 301.478 3.633 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000273167467 535003727 /nfs/dbraw/zinc/00/37/27/535003727.db2.gz LVDFKGYGOUNXQY-IBGZPJMESA-N 2 2 315.436 3.630 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000273167467 535003732 /nfs/dbraw/zinc/00/37/32/535003732.db2.gz LVDFKGYGOUNXQY-IBGZPJMESA-N 2 2 315.436 3.630 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000272371287 535474409 /nfs/dbraw/zinc/47/44/09/535474409.db2.gz DUCZEIASWUWXQT-UHFFFAOYSA-N 2 2 300.402 3.646 20 0 DHADLP CCc1noc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000340438635 535883142 /nfs/dbraw/zinc/88/31/42/535883142.db2.gz DDWGPVGRAOOCAL-KUHUBIRLSA-N 2 2 319.493 3.678 20 0 DHADLP Cc1c[nH+]c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1C ZINC001164629306 719101525 /nfs/dbraw/zinc/10/15/25/719101525.db2.gz RTCMDSMAOQOODG-VQTJNVASSA-N 2 2 321.468 3.799 20 0 DHADLP Cc1c[nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1C ZINC001164629306 719101535 /nfs/dbraw/zinc/10/15/35/719101535.db2.gz RTCMDSMAOQOODG-VQTJNVASSA-N 2 2 321.468 3.799 20 0 DHADLP CCCc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc(C)[nH+]1 ZINC001165049598 721972965 /nfs/dbraw/zinc/97/29/65/721972965.db2.gz QQPRZRGBGPXTRO-SFHVURJKSA-N 2 2 316.493 3.582 20 0 DHADLP Cc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc(C2CC2)[nH+]1 ZINC001165046992 721976583 /nfs/dbraw/zinc/97/65/83/721976583.db2.gz DBRADHFVPYSPOU-KRWDZBQOSA-N 2 2 314.477 3.507 20 0 DHADLP CCCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000608067390 1013485749 /nfs/dbraw/zinc/48/57/49/1013485749.db2.gz APWDFLLDPRPPQY-KRWDZBQOSA-N 2 2 313.445 3.648 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000655690863 1013644072 /nfs/dbraw/zinc/64/40/72/1013644072.db2.gz PSLLCVCYGIGXEO-LPHOPBHVSA-N 2 2 324.468 3.744 20 0 DHADLP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccs1 ZINC000655701966 1013654502 /nfs/dbraw/zinc/65/45/02/1013654502.db2.gz YCGNQPQZMZSBFU-IRXDYDNUSA-N 2 2 322.518 3.678 20 0 DHADLP C1C[C@H]([NH+]2CCC([NH2+]C3CCC4(CCCCC4)CC3)CC2)CO1 ZINC000655758690 1013693852 /nfs/dbraw/zinc/69/38/52/1013693852.db2.gz XCRGQOMJFFQQPD-IBGZPJMESA-N 2 2 320.521 3.722 20 0 DHADLP C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000655837681 1013760126 /nfs/dbraw/zinc/76/01/26/1013760126.db2.gz HFKHBTDXVCFMJY-CVEARBPZSA-N 2 2 306.413 3.549 20 0 DHADLP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000340248510 1013764693 /nfs/dbraw/zinc/76/46/93/1013764693.db2.gz DNBYEZMIOULLMZ-YJBOKZPZSA-N 2 2 319.408 3.527 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848421 1013774388 /nfs/dbraw/zinc/77/43/88/1013774388.db2.gz IYRBMAUWMYDJPL-RYQLBKOJSA-N 2 2 302.462 3.671 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848421 1013774393 /nfs/dbraw/zinc/77/43/93/1013774393.db2.gz IYRBMAUWMYDJPL-RYQLBKOJSA-N 2 2 302.462 3.671 20 0 DHADLP C[N@H+](Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995368 1013782892 /nfs/dbraw/zinc/78/28/92/1013782892.db2.gz CPSSDRSLNMWWCY-JWTNVVGKSA-N 2 2 302.437 3.663 20 0 DHADLP C[N@@H+](Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995368 1013782899 /nfs/dbraw/zinc/78/28/99/1013782899.db2.gz CPSSDRSLNMWWCY-JWTNVVGKSA-N 2 2 302.437 3.663 20 0 DHADLP C[NH+](Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995368 1013782903 /nfs/dbraw/zinc/78/29/03/1013782903.db2.gz CPSSDRSLNMWWCY-JWTNVVGKSA-N 2 2 302.437 3.663 20 0 DHADLP C[NH+](Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995368 1013782910 /nfs/dbraw/zinc/78/29/10/1013782910.db2.gz CPSSDRSLNMWWCY-JWTNVVGKSA-N 2 2 302.437 3.663 20 0 DHADLP Fc1ccc(C2CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000655848950 1013778787 /nfs/dbraw/zinc/77/87/87/1013778787.db2.gz MIDJONNYODGNNX-FYOYPEGLSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccc(C2CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000655848950 1013778791 /nfs/dbraw/zinc/77/87/91/1013778791.db2.gz MIDJONNYODGNNX-FYOYPEGLSA-N 2 2 302.437 3.678 20 0 DHADLP c1ccc(-c2cccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c2)nc1 ZINC000655854959 1013786779 /nfs/dbraw/zinc/78/67/79/1013786779.db2.gz BLENRALPMLCBOB-RTWAWAEBSA-N 2 2 321.468 3.855 20 0 DHADLP c1ccc(-c2cccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)c2)nc1 ZINC000655854959 1013786786 /nfs/dbraw/zinc/78/67/86/1013786786.db2.gz BLENRALPMLCBOB-RTWAWAEBSA-N 2 2 321.468 3.855 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655856559 1013788150 /nfs/dbraw/zinc/78/81/50/1013788150.db2.gz NQGVNSIORZPDEF-FJBKBRRZSA-N 2 2 318.427 3.962 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655856559 1013788156 /nfs/dbraw/zinc/78/81/56/1013788156.db2.gz NQGVNSIORZPDEF-FJBKBRRZSA-N 2 2 318.427 3.962 20 0 DHADLP C[C@@H]1C[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000683693754 1013866596 /nfs/dbraw/zinc/86/65/96/1013866596.db2.gz CQEZBMOZHLJESZ-QAPCUYQASA-N 2 2 324.472 3.781 20 0 DHADLP C[C@@H]1C[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000683693754 1013866602 /nfs/dbraw/zinc/86/66/02/1013866602.db2.gz CQEZBMOZHLJESZ-QAPCUYQASA-N 2 2 324.472 3.781 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000189294587 1014169088 /nfs/dbraw/zinc/16/90/88/1014169088.db2.gz LBNPCSYJCZNFGY-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000189294587 1014169091 /nfs/dbraw/zinc/16/90/91/1014169091.db2.gz LBNPCSYJCZNFGY-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cc1cc(C)c(Nc2ccc(F)cc2OCC[NH+](C)C)c[nH+]1 ZINC001213520766 1014442450 /nfs/dbraw/zinc/44/24/50/1014442450.db2.gz HMJXSMAZAITNRI-UHFFFAOYSA-N 2 2 303.381 3.522 20 0 DHADLP CO[C@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895116833 1014450164 /nfs/dbraw/zinc/45/01/64/1014450164.db2.gz URQVPRQSFQJMCJ-TVFCKZIOSA-N 2 2 317.477 3.506 20 0 DHADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc(C)c1F ZINC001143385464 1014459507 /nfs/dbraw/zinc/45/95/07/1014459507.db2.gz TVSUMPBTBNNRTK-UHFFFAOYSA-N 2 2 304.453 3.893 20 0 DHADLP C[NH+](C)CCOc1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000665211763 1014487888 /nfs/dbraw/zinc/48/78/88/1014487888.db2.gz FMWSDFBBPBGGON-UHFFFAOYSA-N 2 2 321.424 3.539 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1Cl ZINC000427844115 1014535094 /nfs/dbraw/zinc/53/50/94/1014535094.db2.gz NMIPMAYXKBUATG-CMPLNLGQSA-N 2 2 310.228 3.856 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC[C@H]1CCc1ccccc1)CC2 ZINC000427853123 1014538709 /nfs/dbraw/zinc/53/87/09/1014538709.db2.gz HEVZSNSDATUOFP-IPMKNSEASA-N 2 2 309.457 3.589 20 0 DHADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427878919 1014542344 /nfs/dbraw/zinc/54/23/44/1014542344.db2.gz RMRAVIMAJWSIMN-UONOGXRCSA-N 2 2 309.413 3.857 20 0 DHADLP CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427868428 1014545130 /nfs/dbraw/zinc/54/51/30/1014545130.db2.gz AMWXGSDLUYWKJE-ZIAGYGMSSA-N 2 2 301.459 3.661 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000665249633 1014553844 /nfs/dbraw/zinc/55/38/44/1014553844.db2.gz VGRKYQREJSAVFU-JTQLQIEISA-N 2 2 318.795 3.864 20 0 DHADLP C[C@@H]1CC([NH2+]CC(=O)C(C)(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168011348 1014578882 /nfs/dbraw/zinc/57/88/82/1014578882.db2.gz NRLLBRPVMGPOHV-HZPDHXFCSA-N 2 2 316.489 3.633 20 0 DHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCC(F)(F)CC1 ZINC000581137014 1014587454 /nfs/dbraw/zinc/58/74/54/1014587454.db2.gz JLPBRPUMJLGFAS-UHFFFAOYSA-N 2 2 311.401 3.944 20 0 DHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCC(F)(F)CC1 ZINC000581137014 1014587461 /nfs/dbraw/zinc/58/74/61/1014587461.db2.gz JLPBRPUMJLGFAS-UHFFFAOYSA-N 2 2 311.401 3.944 20 0 DHADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC000262035139 1014594073 /nfs/dbraw/zinc/59/40/73/1014594073.db2.gz ZJYLYLFSBAFQCS-AWEZNQCLSA-N 2 2 317.864 3.628 20 0 DHADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC000262035139 1014594084 /nfs/dbraw/zinc/59/40/84/1014594084.db2.gz ZJYLYLFSBAFQCS-AWEZNQCLSA-N 2 2 317.864 3.628 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116545 1014648638 /nfs/dbraw/zinc/64/86/38/1014648638.db2.gz PJDDYLPOHOFYBJ-BBRMVZONSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116545 1014648641 /nfs/dbraw/zinc/64/86/41/1014648641.db2.gz PJDDYLPOHOFYBJ-BBRMVZONSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116545 1014648650 /nfs/dbraw/zinc/64/86/50/1014648650.db2.gz PJDDYLPOHOFYBJ-BBRMVZONSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116545 1014648658 /nfs/dbraw/zinc/64/86/58/1014648658.db2.gz PJDDYLPOHOFYBJ-BBRMVZONSA-N 2 2 307.507 3.573 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665276609 1014650613 /nfs/dbraw/zinc/65/06/13/1014650613.db2.gz HUUTXSITFZGZHS-LVIIFESRSA-N 2 2 313.470 3.521 20 0 DHADLP CC(C)CCOc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276908 1014646106 /nfs/dbraw/zinc/64/61/06/1014646106.db2.gz OUFIWFLCWJWDDF-MDCZIUGASA-N 2 2 302.462 3.514 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000393545751 1014666733 /nfs/dbraw/zinc/66/67/33/1014666733.db2.gz JQRFRDKOQOYPBU-OAQYLSRUSA-N 2 2 324.468 3.859 20 0 DHADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000349383260 1014701058 /nfs/dbraw/zinc/70/10/58/1014701058.db2.gz KOXRXDNBEKYYEG-UHFFFAOYSA-N 2 2 320.525 3.563 20 0 DHADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000349383260 1014701069 /nfs/dbraw/zinc/70/10/69/1014701069.db2.gz KOXRXDNBEKYYEG-UHFFFAOYSA-N 2 2 320.525 3.563 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C ZINC000090720733 1014764029 /nfs/dbraw/zinc/76/40/29/1014764029.db2.gz KXIPUESSAHIOJX-GXFFZTMASA-N 2 2 318.795 3.514 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[N@H+]1C ZINC000090720733 1014764038 /nfs/dbraw/zinc/76/40/38/1014764038.db2.gz KXIPUESSAHIOJX-GXFFZTMASA-N 2 2 318.795 3.514 20 0 DHADLP Cc1cnccc1C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000581469173 1014878545 /nfs/dbraw/zinc/87/85/45/1014878545.db2.gz GJPNWFPWZUKOMF-NRFANRHFSA-N 2 2 323.484 3.563 20 0 DHADLP Cc1cnccc1C[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000581469173 1014878557 /nfs/dbraw/zinc/87/85/57/1014878557.db2.gz GJPNWFPWZUKOMF-NRFANRHFSA-N 2 2 323.484 3.563 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000341170648 1014955627 /nfs/dbraw/zinc/95/56/27/1014955627.db2.gz CYWXRFIPYWDMFM-AWEZNQCLSA-N 2 2 301.409 3.750 20 0 DHADLP CC(=O)CC(C)(C)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168031191 1015208543 /nfs/dbraw/zinc/20/85/43/1015208543.db2.gz YBTPYQXCKALLHD-HZPDHXFCSA-N 2 2 316.489 3.775 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895707283 1015267286 /nfs/dbraw/zinc/26/72/86/1015267286.db2.gz PVEBYJSATQOYEW-OXJNMPFZSA-N 2 2 321.424 3.551 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC(C)(C)C1 ZINC000361823998 1032114158 /nfs/dbraw/zinc/11/41/58/1032114158.db2.gz AEYRRFAZPAHJAA-UHFFFAOYSA-N 2 2 301.459 3.508 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC(C)(C)C1 ZINC000361823998 1032114162 /nfs/dbraw/zinc/11/41/62/1032114162.db2.gz AEYRRFAZPAHJAA-UHFFFAOYSA-N 2 2 301.459 3.508 20 0 DHADLP Clc1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157475521 1015301384 /nfs/dbraw/zinc/30/13/84/1015301384.db2.gz XQBRYOGZDVPOEE-MRXNPFEDSA-N 2 2 322.880 3.669 20 0 DHADLP Clc1ccccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157475521 1015301391 /nfs/dbraw/zinc/30/13/91/1015301391.db2.gz XQBRYOGZDVPOEE-MRXNPFEDSA-N 2 2 322.880 3.669 20 0 DHADLP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)c1ccccc1 ZINC000341511517 1015430533 /nfs/dbraw/zinc/43/05/33/1015430533.db2.gz RFSZXTXQYWNAIE-SFHVURJKSA-N 2 2 324.472 4.157 20 0 DHADLP CC[N@H+](C)CC[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000474625156 1015499688 /nfs/dbraw/zinc/49/96/88/1015499688.db2.gz XGGNPIDVQJMVKA-UHFFFAOYSA-N 2 2 302.384 3.569 20 0 DHADLP CC[N@@H+](C)CC[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000474625156 1015499690 /nfs/dbraw/zinc/49/96/90/1015499690.db2.gz XGGNPIDVQJMVKA-UHFFFAOYSA-N 2 2 302.384 3.569 20 0 DHADLP C[C@H]([NH2+]Cc1nc(C[NH+](C)C)cs1)[C@H]1CC2CCC1CC2 ZINC000896312059 1015545862 /nfs/dbraw/zinc/54/58/62/1015545862.db2.gz ZMEXBMHPDFATJB-WLIAPVHPSA-N 2 2 307.507 3.509 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccno1 ZINC001168041047 1015551859 /nfs/dbraw/zinc/55/18/59/1015551859.db2.gz QLPFXXBMBLIIFA-DFGXFYAUSA-N 2 2 313.445 3.767 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccno1 ZINC001168041047 1015551864 /nfs/dbraw/zinc/55/18/64/1015551864.db2.gz QLPFXXBMBLIIFA-DFGXFYAUSA-N 2 2 313.445 3.767 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccno1 ZINC001168041050 1015552432 /nfs/dbraw/zinc/55/24/32/1015552432.db2.gz QLPFXXBMBLIIFA-KYHPRHEASA-N 2 2 313.445 3.767 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccno1 ZINC001168041050 1015552441 /nfs/dbraw/zinc/55/24/41/1015552441.db2.gz QLPFXXBMBLIIFA-KYHPRHEASA-N 2 2 313.445 3.767 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474706351 1015556052 /nfs/dbraw/zinc/55/60/52/1015556052.db2.gz AOFXVTZNFWTPFN-UZGDPCLZSA-N 2 2 312.910 3.966 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474706351 1015556057 /nfs/dbraw/zinc/55/60/57/1015556057.db2.gz AOFXVTZNFWTPFN-UZGDPCLZSA-N 2 2 312.910 3.966 20 0 DHADLP c1c[nH+]c(C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)[nH]1 ZINC000276752264 1015601910 /nfs/dbraw/zinc/60/19/10/1015601910.db2.gz LICRSXSXEFTXID-UHFFFAOYSA-N 2 2 311.429 3.578 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2CCOC(C)(C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041834 1015605595 /nfs/dbraw/zinc/60/55/95/1015605595.db2.gz VZGDILUZSHMTFH-IZZQQSIFSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2CCOC(C)(C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041834 1015605601 /nfs/dbraw/zinc/60/56/01/1015605601.db2.gz VZGDILUZSHMTFH-IZZQQSIFSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+]2CCOC(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041834 1015605611 /nfs/dbraw/zinc/60/56/11/1015605611.db2.gz VZGDILUZSHMTFH-IZZQQSIFSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+]2CCOC(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041834 1015605618 /nfs/dbraw/zinc/60/56/18/1015605618.db2.gz VZGDILUZSHMTFH-IZZQQSIFSA-N 2 2 316.489 3.539 20 0 DHADLP c1cn(CCC[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c[nH+]1 ZINC000933818227 1015678181 /nfs/dbraw/zinc/67/81/81/1015678181.db2.gz GETXUCAAXXRRAX-UHFFFAOYSA-N 2 2 306.413 3.544 20 0 DHADLP c1cn(CCC[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c[nH+]1 ZINC000933818227 1015678185 /nfs/dbraw/zinc/67/81/85/1015678185.db2.gz GETXUCAAXXRRAX-UHFFFAOYSA-N 2 2 306.413 3.544 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3cc(F)ccc31)CCC2 ZINC000341699880 1015680658 /nfs/dbraw/zinc/68/06/58/1015680658.db2.gz SDEREKPFHGOUJY-YJBOKZPZSA-N 2 2 313.420 3.875 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341760003 1015725444 /nfs/dbraw/zinc/72/54/44/1015725444.db2.gz XITVKGSDZROZJF-GDBMZVCRSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341760003 1015725447 /nfs/dbraw/zinc/72/54/47/1015725447.db2.gz XITVKGSDZROZJF-GDBMZVCRSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341760004 1015725706 /nfs/dbraw/zinc/72/57/06/1015725706.db2.gz XITVKGSDZROZJF-GOEBONIOSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341760004 1015725708 /nfs/dbraw/zinc/72/57/08/1015725708.db2.gz XITVKGSDZROZJF-GOEBONIOSA-N 2 2 308.853 3.628 20 0 DHADLP Cc1ccc(C[NH+](C)CC(C)C[N@H+](C)Cc2ccc(C)o2)o1 ZINC000346410246 1015843124 /nfs/dbraw/zinc/84/31/24/1015843124.db2.gz DZYLMVOMAIDMJF-UHFFFAOYSA-N 2 2 304.434 3.689 20 0 DHADLP Cc1ccc(C[NH+](C)CC(C)C[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000346410246 1015843135 /nfs/dbraw/zinc/84/31/35/1015843135.db2.gz DZYLMVOMAIDMJF-UHFFFAOYSA-N 2 2 304.434 3.689 20 0 DHADLP C[C@@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)CC(F)F ZINC000647226335 1015870322 /nfs/dbraw/zinc/87/03/22/1015870322.db2.gz CMAXQQDNJDRHMC-GDBMZVCRSA-N 2 2 310.432 3.920 20 0 DHADLP C[C@@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)CC(F)F ZINC000647226335 1015870330 /nfs/dbraw/zinc/87/03/30/1015870330.db2.gz CMAXQQDNJDRHMC-GDBMZVCRSA-N 2 2 310.432 3.920 20 0 DHADLP CCC1([NH+](C)C)CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000640016309 1015909771 /nfs/dbraw/zinc/90/97/71/1015909771.db2.gz XYFCBEASNLTUPG-UHFFFAOYSA-N 2 2 317.502 3.645 20 0 DHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(C4CCCCC4)n3)C[C@H]21 ZINC000342092727 1015951299 /nfs/dbraw/zinc/95/12/99/1015951299.db2.gz VWODUAWKRPXMLG-DJIMGWMZSA-N 2 2 319.518 3.750 20 0 DHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(C4CCCCC4)n3)C[C@H]21 ZINC000342092727 1015951307 /nfs/dbraw/zinc/95/13/07/1015951307.db2.gz VWODUAWKRPXMLG-DJIMGWMZSA-N 2 2 319.518 3.750 20 0 DHADLP CCOc1ncccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151205705 1016023113 /nfs/dbraw/zinc/02/31/13/1016023113.db2.gz GYEQJNHBIYFQTM-OAHLLOKOSA-N 2 2 322.412 3.517 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000151563244 1016062224 /nfs/dbraw/zinc/06/22/24/1016062224.db2.gz QLDFKHKIHTXEDE-RXVVDRJESA-N 2 2 323.484 3.514 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000151563244 1016062235 /nfs/dbraw/zinc/06/22/35/1016062235.db2.gz QLDFKHKIHTXEDE-RXVVDRJESA-N 2 2 323.484 3.514 20 0 DHADLP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC000154005227 1016099947 /nfs/dbraw/zinc/09/99/47/1016099947.db2.gz GUAVGGTZNKACRO-SFHVURJKSA-N 2 2 323.550 3.595 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152118404 1016350874 /nfs/dbraw/zinc/35/08/74/1016350874.db2.gz ZZQONGSDFFTAMI-MRXNPFEDSA-N 2 2 321.424 3.791 20 0 DHADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000342408406 1016355377 /nfs/dbraw/zinc/35/53/77/1016355377.db2.gz BYVCDJMUJHAHDM-SJKOYZFVSA-N 2 2 311.410 3.546 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000346627704 1016486900 /nfs/dbraw/zinc/48/69/00/1016486900.db2.gz AAQFMUABUPVTIZ-MWLCHTKSSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000346627704 1016486907 /nfs/dbraw/zinc/48/69/07/1016486907.db2.gz AAQFMUABUPVTIZ-MWLCHTKSSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000281360982 1016488389 /nfs/dbraw/zinc/48/83/89/1016488389.db2.gz WBUGIAIQZCNIQV-STQMWFEESA-N 2 2 311.351 3.511 20 0 DHADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C[C@H]12 ZINC000346839674 1016597756 /nfs/dbraw/zinc/59/77/56/1016597756.db2.gz ZGFPECJPIZZLHZ-COPLHBTASA-N 2 2 318.770 3.528 20 0 DHADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C[C@H]12 ZINC000346839674 1016597762 /nfs/dbraw/zinc/59/77/62/1016597762.db2.gz ZGFPECJPIZZLHZ-COPLHBTASA-N 2 2 318.770 3.528 20 0 DHADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347094184 1016725415 /nfs/dbraw/zinc/72/54/15/1016725415.db2.gz QNCYIMJCGUBTFA-ZFWWWQNUSA-N 2 2 302.805 3.949 20 0 DHADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347094184 1016725428 /nfs/dbraw/zinc/72/54/28/1016725428.db2.gz QNCYIMJCGUBTFA-ZFWWWQNUSA-N 2 2 302.805 3.949 20 0 DHADLP COc1ccc([C@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2C)cc1 ZINC000342574025 1016787734 /nfs/dbraw/zinc/78/77/34/1016787734.db2.gz HLCOZAGJJCBGET-LJQANCHMSA-N 2 2 313.445 3.817 20 0 DHADLP COc1ccc([C@H]2CCCCC[N@H+]2CCn2cc[nH+]c2C)cc1 ZINC000342574025 1016787744 /nfs/dbraw/zinc/78/77/44/1016787744.db2.gz HLCOZAGJJCBGET-LJQANCHMSA-N 2 2 313.445 3.817 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000342584240 1016808913 /nfs/dbraw/zinc/80/89/13/1016808913.db2.gz QQFYKROBUVOUGN-NRFANRHFSA-N 2 2 317.436 3.839 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000342584240 1016808933 /nfs/dbraw/zinc/80/89/33/1016808933.db2.gz QQFYKROBUVOUGN-NRFANRHFSA-N 2 2 317.436 3.839 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)s1 ZINC000152753960 1016987740 /nfs/dbraw/zinc/98/77/40/1016987740.db2.gz VXARPBMXVGRHOK-NSHDSACASA-N 2 2 309.866 3.828 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1(C)C ZINC000623378956 1017003337 /nfs/dbraw/zinc/00/33/37/1017003337.db2.gz ZRWQMPWIZVCNEG-OALUTQOASA-N 2 2 309.457 3.633 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1(C)C ZINC000623378956 1017003344 /nfs/dbraw/zinc/00/33/44/1017003344.db2.gz ZRWQMPWIZVCNEG-OALUTQOASA-N 2 2 309.457 3.633 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000623435437 1017046264 /nfs/dbraw/zinc/04/62/64/1017046264.db2.gz DXUAEAVEDQRJCP-FCLVOEFKSA-N 2 2 309.457 3.728 20 0 DHADLP C[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cc(F)cc(F)c1 ZINC000294801480 1032161083 /nfs/dbraw/zinc/16/10/83/1032161083.db2.gz LKPVCOOYZOXFGN-QWHCGFSZSA-N 2 2 305.372 3.671 20 0 DHADLP C[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cc(F)cc(F)c1 ZINC000294801480 1032161095 /nfs/dbraw/zinc/16/10/95/1032161095.db2.gz LKPVCOOYZOXFGN-QWHCGFSZSA-N 2 2 305.372 3.671 20 0 DHADLP CC(C)C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000361970382 1032178072 /nfs/dbraw/zinc/17/80/72/1032178072.db2.gz WUZMETPTRKDXJW-MSOLQXFVSA-N 2 2 306.519 3.801 20 0 DHADLP C[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1cc(F)cc(F)c1 ZINC000294842494 1032178341 /nfs/dbraw/zinc/17/83/41/1032178341.db2.gz OGOFODRUTNSOSD-LBPRGKRZSA-N 2 2 305.372 3.671 20 0 DHADLP Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000361985764 1032183191 /nfs/dbraw/zinc/18/31/91/1032183191.db2.gz KIUOILLXGLRUNC-UHFFFAOYSA-N 2 2 320.440 3.852 20 0 DHADLP Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000361985764 1032183195 /nfs/dbraw/zinc/18/31/95/1032183195.db2.gz KIUOILLXGLRUNC-UHFFFAOYSA-N 2 2 320.440 3.852 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccn2CCC(C)C)C[C@@H]1C ZINC000537617076 1032292431 /nfs/dbraw/zinc/29/24/31/1032292431.db2.gz XSIVQWKHCXQWRG-ROUUACIJSA-N 2 2 305.510 3.839 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccn2CCC(C)C)C[C@@H]1C ZINC000537617076 1032292437 /nfs/dbraw/zinc/29/24/37/1032292437.db2.gz XSIVQWKHCXQWRG-ROUUACIJSA-N 2 2 305.510 3.839 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccn2CCC(C)C)C[C@@H]1C ZINC000537617076 1032292447 /nfs/dbraw/zinc/29/24/47/1032292447.db2.gz XSIVQWKHCXQWRG-ROUUACIJSA-N 2 2 305.510 3.839 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccn2CCC(C)C)C[C@@H]1C ZINC000537617076 1032292465 /nfs/dbraw/zinc/29/24/65/1032292465.db2.gz XSIVQWKHCXQWRG-ROUUACIJSA-N 2 2 305.510 3.839 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000121361312 1032443096 /nfs/dbraw/zinc/44/30/96/1032443096.db2.gz BBAGSMGZBOKLPV-MRXNPFEDSA-N 2 2 309.457 3.964 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000475215652 1017086423 /nfs/dbraw/zinc/08/64/23/1017086423.db2.gz LZRBTVUCHTXFKU-UKRRQHHQSA-N 2 2 302.453 3.910 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000475215652 1017086435 /nfs/dbraw/zinc/08/64/35/1017086435.db2.gz LZRBTVUCHTXFKU-UKRRQHHQSA-N 2 2 302.453 3.910 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(-c2ccccn2)c1 ZINC000091892750 1032463525 /nfs/dbraw/zinc/46/35/25/1032463525.db2.gz UTMMXCWLBAMDJV-UXHICEINSA-N 2 2 321.468 3.807 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(-c2ccccn2)c1 ZINC000091892750 1032463528 /nfs/dbraw/zinc/46/35/28/1032463528.db2.gz UTMMXCWLBAMDJV-UXHICEINSA-N 2 2 321.468 3.807 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2ccccn2)c1 ZINC000091892750 1032463533 /nfs/dbraw/zinc/46/35/33/1032463533.db2.gz UTMMXCWLBAMDJV-UXHICEINSA-N 2 2 321.468 3.807 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2ccccn2)c1 ZINC000091892750 1032463540 /nfs/dbraw/zinc/46/35/40/1032463540.db2.gz UTMMXCWLBAMDJV-UXHICEINSA-N 2 2 321.468 3.807 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(c3ccsc3)CC2)s1 ZINC000348183818 1032493698 /nfs/dbraw/zinc/49/36/98/1032493698.db2.gz DOXCTCRTLUBJOG-UHFFFAOYSA-N 2 2 321.515 3.646 20 0 DHADLP Clc1sccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348188731 1032496554 /nfs/dbraw/zinc/49/65/54/1032496554.db2.gz UKKKIUWDIRUCKA-UHFFFAOYSA-N 2 2 317.845 3.936 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000093318463 1032529592 /nfs/dbraw/zinc/52/95/92/1032529592.db2.gz MBBBWIJKKMNZCK-YLJYHZDGSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000093318463 1032529596 /nfs/dbraw/zinc/52/95/96/1032529596.db2.gz MBBBWIJKKMNZCK-YLJYHZDGSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(O)c2)CC[NH+]1Cc1ccccc1 ZINC000093318463 1032529599 /nfs/dbraw/zinc/52/95/99/1032529599.db2.gz MBBBWIJKKMNZCK-YLJYHZDGSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(O)c2)CC[NH+]1Cc1ccccc1 ZINC000093318463 1032529602 /nfs/dbraw/zinc/52/96/02/1032529602.db2.gz MBBBWIJKKMNZCK-YLJYHZDGSA-N 2 2 324.468 3.877 20 0 DHADLP c1c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)[nH]nc1-c1ccccc1 ZINC000093564213 1032544764 /nfs/dbraw/zinc/54/47/64/1032544764.db2.gz QYVKWWCOJUSSNA-IBGZPJMESA-N 2 2 324.472 3.527 20 0 DHADLP c1c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)[nH]nc1-c1ccccc1 ZINC000093564213 1032544768 /nfs/dbraw/zinc/54/47/68/1032544768.db2.gz QYVKWWCOJUSSNA-IBGZPJMESA-N 2 2 324.472 3.527 20 0 DHADLP c1nc(C2CCCC2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597250 1032547051 /nfs/dbraw/zinc/54/70/51/1032547051.db2.gz OSODWGXJZDGWGK-OAHLLOKOSA-N 2 2 319.518 3.718 20 0 DHADLP c1nc(C2CCCC2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597250 1032547058 /nfs/dbraw/zinc/54/70/58/1032547058.db2.gz OSODWGXJZDGWGK-OAHLLOKOSA-N 2 2 319.518 3.718 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)CC[N@@H+]1C ZINC000093644357 1032549026 /nfs/dbraw/zinc/54/90/26/1032549026.db2.gz AQMUNUUJMNXMAF-OCCSQVGLSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)CC[N@H+]1C ZINC000093644357 1032549031 /nfs/dbraw/zinc/54/90/31/1032549031.db2.gz AQMUNUUJMNXMAF-OCCSQVGLSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)CC[NH+]1C ZINC000093644357 1032549038 /nfs/dbraw/zinc/54/90/38/1032549038.db2.gz AQMUNUUJMNXMAF-OCCSQVGLSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)CC[NH+]1C ZINC000093644357 1032549040 /nfs/dbraw/zinc/54/90/40/1032549040.db2.gz AQMUNUUJMNXMAF-OCCSQVGLSA-N 2 2 321.515 3.786 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424267756 1011956234 /nfs/dbraw/zinc/95/62/34/1011956234.db2.gz YOGBSIIDTSAVIV-ZDUSSCGKSA-N 2 2 310.869 3.874 20 0 DHADLP CS[C@@H]1CC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000425375252 1012509150 /nfs/dbraw/zinc/50/91/50/1012509150.db2.gz ZBOKPNAPDIRWIA-DZGCQCFKSA-N 2 2 307.850 3.509 20 0 DHADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000179392398 1012668602 /nfs/dbraw/zinc/66/86/02/1012668602.db2.gz CBTSDTTZRRWKRK-QWHCGFSZSA-N 2 2 311.351 3.684 20 0 DHADLP [NH3+][C@H]1C[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)c2ccccc21 ZINC000261937108 1012748173 /nfs/dbraw/zinc/74/81/73/1012748173.db2.gz UCAUZQSHFDVTKX-ZWKOTPCHSA-N 2 2 308.429 3.629 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(C(F)(F)F)ccc1F ZINC000290609795 1012916401 /nfs/dbraw/zinc/91/64/01/1012916401.db2.gz WLYQJFOWPDKWCZ-UHFFFAOYSA-N 2 2 315.314 3.563 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(C(F)(F)F)ccc1F ZINC000290609795 1012916411 /nfs/dbraw/zinc/91/64/11/1012916411.db2.gz WLYQJFOWPDKWCZ-UHFFFAOYSA-N 2 2 315.314 3.563 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000037320334 1013006011 /nfs/dbraw/zinc/00/60/11/1013006011.db2.gz QOXVMZKMRVFUHP-FZMZJTMJSA-N 2 2 307.850 3.752 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000037320335 1013007896 /nfs/dbraw/zinc/00/78/96/1013007896.db2.gz QOXVMZKMRVFUHP-RISCZKNCSA-N 2 2 307.850 3.752 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1(C)C ZINC000623559690 1017111296 /nfs/dbraw/zinc/11/12/96/1017111296.db2.gz JVYDXAIIHLQGSF-HOCLYGCPSA-N 2 2 320.452 3.890 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1(C)C ZINC000623559690 1017111304 /nfs/dbraw/zinc/11/13/04/1017111304.db2.gz JVYDXAIIHLQGSF-HOCLYGCPSA-N 2 2 320.452 3.890 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1(C)C ZINC000623559689 1017111373 /nfs/dbraw/zinc/11/13/73/1017111373.db2.gz JVYDXAIIHLQGSF-GOEBONIOSA-N 2 2 320.452 3.890 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1(C)C ZINC000623559689 1017111382 /nfs/dbraw/zinc/11/13/82/1017111382.db2.gz JVYDXAIIHLQGSF-GOEBONIOSA-N 2 2 320.452 3.890 20 0 DHADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000623657441 1017154911 /nfs/dbraw/zinc/15/49/11/1017154911.db2.gz QWDGKVTVGZFOCW-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000623657441 1017154919 /nfs/dbraw/zinc/15/49/19/1017154919.db2.gz QWDGKVTVGZFOCW-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657526420 1017177418 /nfs/dbraw/zinc/17/74/18/1017177418.db2.gz GXIUZPFPULIYCW-BAILOTOSSA-N 2 2 316.489 3.699 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657526420 1017177426 /nfs/dbraw/zinc/17/74/26/1017177426.db2.gz GXIUZPFPULIYCW-BAILOTOSSA-N 2 2 316.489 3.699 20 0 DHADLP CCCC1CCC([N@H+](C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000348419656 1032687744 /nfs/dbraw/zinc/68/77/44/1032687744.db2.gz KNJZLKVYNABXIK-UHFFFAOYSA-N 2 2 309.523 3.995 20 0 DHADLP CCCC1CCC([N@@H+](C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000348419656 1032687753 /nfs/dbraw/zinc/68/77/53/1032687753.db2.gz KNJZLKVYNABXIK-UHFFFAOYSA-N 2 2 309.523 3.995 20 0 DHADLP CCc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000075758061 1017363687 /nfs/dbraw/zinc/36/36/87/1017363687.db2.gz VUUZCRGJFDAWQC-UHFFFAOYSA-N 2 2 305.425 3.784 20 0 DHADLP c1ccc(OCC2CC2)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000475558565 1017426120 /nfs/dbraw/zinc/42/61/20/1017426120.db2.gz GNSDPIVOMXVDCS-UHFFFAOYSA-N 2 2 314.473 3.582 20 0 DHADLP CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000181235105 1017732815 /nfs/dbraw/zinc/73/28/15/1017732815.db2.gz BFMNAEAOWWIIFK-UHFFFAOYSA-N 2 2 301.434 3.584 20 0 DHADLP CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000181235105 1017732824 /nfs/dbraw/zinc/73/28/24/1017732824.db2.gz BFMNAEAOWWIIFK-UHFFFAOYSA-N 2 2 301.434 3.584 20 0 DHADLP CCO[C@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C12CCCC2 ZINC000181672862 1017787441 /nfs/dbraw/zinc/78/74/41/1017787441.db2.gz VONXLMAPVYDVNJ-SJORKVTESA-N 2 2 317.477 3.601 20 0 DHADLP CC[NH+](CC)CCC[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000625719880 1017797302 /nfs/dbraw/zinc/79/73/02/1017797302.db2.gz NGKQBKUKPNRJAS-UHFFFAOYSA-N 2 2 305.491 3.853 20 0 DHADLP C[C@@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)Cc1ccccc1 ZINC000182052469 1017855761 /nfs/dbraw/zinc/85/57/61/1017855761.db2.gz NGOXRJWLCVMHSD-GOSISDBHSA-N 2 2 319.452 3.900 20 0 DHADLP FC(F)(F)c1ccc(C[N@H+](CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000182618866 1017936912 /nfs/dbraw/zinc/93/69/12/1017936912.db2.gz UYIJSTFNDFITFQ-UHFFFAOYSA-N 2 2 323.362 3.957 20 0 DHADLP FC(F)(F)c1ccc(C[N@@H+](CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000182618866 1017936924 /nfs/dbraw/zinc/93/69/24/1017936924.db2.gz UYIJSTFNDFITFQ-UHFFFAOYSA-N 2 2 323.362 3.957 20 0 DHADLP Fc1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445811514 1017980298 /nfs/dbraw/zinc/98/02/98/1017980298.db2.gz SAGXTKMXBDVAPT-ACJLOTCBSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445811514 1017980319 /nfs/dbraw/zinc/98/03/19/1017980319.db2.gz SAGXTKMXBDVAPT-ACJLOTCBSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000445811514 1017980333 /nfs/dbraw/zinc/98/03/33/1017980333.db2.gz SAGXTKMXBDVAPT-ACJLOTCBSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000445811514 1017980336 /nfs/dbraw/zinc/98/03/36/1017980336.db2.gz SAGXTKMXBDVAPT-ACJLOTCBSA-N 2 2 322.855 3.928 20 0 DHADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150781700 1018108565 /nfs/dbraw/zinc/10/85/65/1018108565.db2.gz KBWKECUGAROMOV-AWEZNQCLSA-N 2 2 312.379 3.623 20 0 DHADLP FC(F)(F)c1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150781700 1018108572 /nfs/dbraw/zinc/10/85/72/1018108572.db2.gz KBWKECUGAROMOV-AWEZNQCLSA-N 2 2 312.379 3.623 20 0 DHADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000525196239 1018198953 /nfs/dbraw/zinc/19/89/53/1018198953.db2.gz RHGAZHLGILENGA-ZWNOBZJWSA-N 2 2 317.260 3.574 20 0 DHADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000525196239 1018198958 /nfs/dbraw/zinc/19/89/58/1018198958.db2.gz RHGAZHLGILENGA-ZWNOBZJWSA-N 2 2 317.260 3.574 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC2CCC1CC2 ZINC000381581054 1018266481 /nfs/dbraw/zinc/26/64/81/1018266481.db2.gz BRILQABFSOHHMQ-JIZBTBOESA-N 2 2 313.489 3.855 20 0 DHADLP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000764812664 1018388321 /nfs/dbraw/zinc/38/83/21/1018388321.db2.gz CWGTZXGIGNEVII-INIZCTEOSA-N 2 2 323.415 3.791 20 0 DHADLP CC[C@H](C[NH2+][C@@H](CC)c1ccc2c(c1)CCO2)[NH+]1CCCC1 ZINC000764871807 1018412339 /nfs/dbraw/zinc/41/23/39/1018412339.db2.gz ZBYMVQBDSUNLQI-MSOLQXFVSA-N 2 2 302.462 3.537 20 0 DHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1Cl ZINC000447731882 1018464676 /nfs/dbraw/zinc/46/46/76/1018464676.db2.gz NWVZSKPMBNXKAQ-QGZVFWFLSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1Cl ZINC000447731882 1018464683 /nfs/dbraw/zinc/46/46/83/1018464683.db2.gz NWVZSKPMBNXKAQ-QGZVFWFLSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1Cl ZINC000447731882 1018464689 /nfs/dbraw/zinc/46/46/89/1018464689.db2.gz NWVZSKPMBNXKAQ-QGZVFWFLSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1Cl ZINC000447731882 1018464691 /nfs/dbraw/zinc/46/46/91/1018464691.db2.gz NWVZSKPMBNXKAQ-QGZVFWFLSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(F)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c(Cl)c1 ZINC000650717407 1018558748 /nfs/dbraw/zinc/55/87/48/1018558748.db2.gz ZODPGPMNKGKSLH-UHFFFAOYSA-N 2 2 310.775 3.675 20 0 DHADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833738 1018606165 /nfs/dbraw/zinc/60/61/65/1018606165.db2.gz OKVWKMJEZQUWII-HKUYNNGSSA-N 2 2 302.462 3.610 20 0 DHADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833738 1018606167 /nfs/dbraw/zinc/60/61/67/1018606167.db2.gz OKVWKMJEZQUWII-HKUYNNGSSA-N 2 2 302.462 3.610 20 0 DHADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000765258852 1018731197 /nfs/dbraw/zinc/73/11/97/1018731197.db2.gz BURLQBAUGJCJLZ-ZWKOTPCHSA-N 2 2 313.445 3.556 20 0 DHADLP CCC1(CC)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1OC ZINC000765258847 1018732393 /nfs/dbraw/zinc/73/23/93/1018732393.db2.gz BURLQBAUGJCJLZ-MSOLQXFVSA-N 2 2 313.445 3.556 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccnc(Cl)c1 ZINC000765357741 1018763235 /nfs/dbraw/zinc/76/32/35/1018763235.db2.gz DUKBBAPFAHPQLP-ZDUSSCGKSA-N 2 2 312.804 3.772 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)COC2 ZINC000765358100 1018763773 /nfs/dbraw/zinc/76/37/73/1018763773.db2.gz HDUGVHZKTVYMGM-OAHLLOKOSA-N 2 2 319.408 3.753 20 0 DHADLP CC(C)[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000583964615 1018784918 /nfs/dbraw/zinc/78/49/18/1018784918.db2.gz UIUKKIDNKVVMEE-YOEHRIQHSA-N 2 2 303.837 3.907 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000765439640 1018790401 /nfs/dbraw/zinc/79/04/01/1018790401.db2.gz PRAKTXBFSDCFNK-DLBZAZTESA-N 2 2 321.424 3.990 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657814712 1018814114 /nfs/dbraw/zinc/81/41/14/1018814114.db2.gz BUEOBZPKOCCGDW-QZTJIDSGSA-N 2 2 306.519 3.945 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657814714 1018815846 /nfs/dbraw/zinc/81/58/46/1018815846.db2.gz BUEOBZPKOCCGDW-ROUUACIJSA-N 2 2 306.519 3.945 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)ccc1F ZINC000125273675 1032789215 /nfs/dbraw/zinc/78/92/15/1032789215.db2.gz UFRXTIMIBHGMAH-OAHLLOKOSA-N 2 2 309.816 3.880 20 0 DHADLP Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001171579040 1032789399 /nfs/dbraw/zinc/78/93/99/1032789399.db2.gz NDVQDYMXBJTXHJ-RTBURBONSA-N 2 2 322.452 3.709 20 0 DHADLP Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001171579040 1032789412 /nfs/dbraw/zinc/78/94/12/1032789412.db2.gz NDVQDYMXBJTXHJ-RTBURBONSA-N 2 2 322.452 3.709 20 0 DHADLP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000765525199 1018864836 /nfs/dbraw/zinc/86/48/36/1018864836.db2.gz KCWSUKDDWLNIJP-IFXJQAMLSA-N 2 2 322.412 3.527 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778858 1018931245 /nfs/dbraw/zinc/93/12/45/1018931245.db2.gz REJBSLKVQAJCMO-MSOLQXFVSA-N 2 2 313.470 3.651 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778858 1018931257 /nfs/dbraw/zinc/93/12/57/1018931257.db2.gz REJBSLKVQAJCMO-MSOLQXFVSA-N 2 2 313.470 3.651 20 0 DHADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657829573 1018958591 /nfs/dbraw/zinc/95/85/91/1018958591.db2.gz GHXGQWXSYBZGRH-QZTJIDSGSA-N 2 2 304.503 3.699 20 0 DHADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657829570 1018959181 /nfs/dbraw/zinc/95/91/81/1018959181.db2.gz GHXGQWXSYBZGRH-MSOLQXFVSA-N 2 2 304.503 3.699 20 0 DHADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+][C@H]2CCCSCC2)cc1 ZINC000657829575 1018959802 /nfs/dbraw/zinc/95/98/02/1018959802.db2.gz GHXGQWXSYBZGRH-ROUUACIJSA-N 2 2 304.503 3.699 20 0 DHADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cnc(Cl)s2)CC1(C)C ZINC001171613997 1032799020 /nfs/dbraw/zinc/79/90/20/1032799020.db2.gz SVTGRBRXKURMFO-UHFFFAOYSA-N 2 2 301.887 3.538 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000584153361 1018985399 /nfs/dbraw/zinc/98/53/99/1018985399.db2.gz UPSSOAZCERTPHZ-UHFFFAOYSA-N 2 2 323.396 3.575 20 0 DHADLP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000584172604 1019003841 /nfs/dbraw/zinc/00/38/41/1019003841.db2.gz XXDZDHCGZVOCAD-UHFFFAOYSA-N 2 2 304.821 3.784 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc2cnccc2o1 ZINC000657834715 1019007955 /nfs/dbraw/zinc/00/79/55/1019007955.db2.gz AXUYRELBMBUYBE-AWEZNQCLSA-N 2 2 322.412 3.542 20 0 DHADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(F)c(F)cc2F)CC1(C)C ZINC001171619088 1032804117 /nfs/dbraw/zinc/80/41/17/1032804117.db2.gz HKIXQGZNVGBMGJ-UHFFFAOYSA-N 2 2 314.395 3.845 20 0 DHADLP CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347912751 1019056899 /nfs/dbraw/zinc/05/68/99/1019056899.db2.gz FQICAKKEXNGGHY-HNNXBMFYSA-N 2 2 309.523 3.995 20 0 DHADLP CC(C)CC[C@@H]1CCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347912751 1019056912 /nfs/dbraw/zinc/05/69/12/1019056912.db2.gz FQICAKKEXNGGHY-HNNXBMFYSA-N 2 2 309.523 3.995 20 0 DHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccncc1 ZINC000076108353 1019087588 /nfs/dbraw/zinc/08/75/88/1019087588.db2.gz YYPOMPJAQWRGCO-KRWDZBQOSA-N 2 2 324.472 3.776 20 0 DHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccncc1 ZINC000076108353 1019087603 /nfs/dbraw/zinc/08/76/03/1019087603.db2.gz YYPOMPJAQWRGCO-KRWDZBQOSA-N 2 2 324.472 3.776 20 0 DHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccncc1 ZINC000076108355 1019089270 /nfs/dbraw/zinc/08/92/70/1019089270.db2.gz YYPOMPJAQWRGCO-QGZVFWFLSA-N 2 2 324.472 3.776 20 0 DHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccncc1 ZINC000076108355 1019089286 /nfs/dbraw/zinc/08/92/86/1019089286.db2.gz YYPOMPJAQWRGCO-QGZVFWFLSA-N 2 2 324.472 3.776 20 0 DHADLP Cc1ccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1C ZINC000584318748 1019089948 /nfs/dbraw/zinc/08/99/48/1019089948.db2.gz YPDMYASXJAMFRX-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP Cc1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1C ZINC000584318748 1019089968 /nfs/dbraw/zinc/08/99/68/1019089968.db2.gz YPDMYASXJAMFRX-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000921916156 1019105182 /nfs/dbraw/zinc/10/51/82/1019105182.db2.gz ZXCLXFIFANPYJK-HNNXBMFYSA-N 2 2 309.885 3.501 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000921916156 1019105193 /nfs/dbraw/zinc/10/51/93/1019105193.db2.gz ZXCLXFIFANPYJK-HNNXBMFYSA-N 2 2 309.885 3.501 20 0 DHADLP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)sc1C(C)(C)C ZINC000923365068 1019153291 /nfs/dbraw/zinc/15/32/91/1019153291.db2.gz RVWRKLCDBZLHNK-LSDHHAIUSA-N 2 2 321.534 3.713 20 0 DHADLP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)sc1C(C)(C)C ZINC000923365068 1019153303 /nfs/dbraw/zinc/15/33/03/1019153303.db2.gz RVWRKLCDBZLHNK-LSDHHAIUSA-N 2 2 321.534 3.713 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](CNc1cc(C)c3ccc(C)cc3[nH+]1)CCC2 ZINC000460966499 1019195476 /nfs/dbraw/zinc/19/54/76/1019195476.db2.gz IJPAGTISBHKMCK-MRXNPFEDSA-N 2 2 320.440 4.346 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000921981299 1019262034 /nfs/dbraw/zinc/26/20/34/1019262034.db2.gz RXPFOVVFKLHXKF-HUUCEWRRSA-N 2 2 321.896 3.786 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000921981299 1019262039 /nfs/dbraw/zinc/26/20/39/1019262039.db2.gz RXPFOVVFKLHXKF-HUUCEWRRSA-N 2 2 321.896 3.786 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccnc1 ZINC000091284358 1019457753 /nfs/dbraw/zinc/45/77/53/1019457753.db2.gz MTAPXIDRMKDGAN-HXUWFJFHSA-N 2 2 320.440 3.813 20 0 DHADLP C[N@H+](Cc1ccc(Cl)nc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643399 1032837449 /nfs/dbraw/zinc/83/74/49/1032837449.db2.gz SHPMEBPBNIDGJZ-UHFFFAOYSA-N 2 2 309.885 3.818 20 0 DHADLP C[N@@H+](Cc1ccc(Cl)nc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643399 1032837467 /nfs/dbraw/zinc/83/74/67/1032837467.db2.gz SHPMEBPBNIDGJZ-UHFFFAOYSA-N 2 2 309.885 3.818 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)[nH]1 ZINC000092072839 1019504263 /nfs/dbraw/zinc/50/42/63/1019504263.db2.gz NSCPPHMCNVERMK-LJQANCHMSA-N 2 2 318.424 3.851 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)[nH]1 ZINC000092072839 1019504274 /nfs/dbraw/zinc/50/42/74/1019504274.db2.gz NSCPPHMCNVERMK-LJQANCHMSA-N 2 2 318.424 3.851 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)[nH]1 ZINC000092072837 1019505318 /nfs/dbraw/zinc/50/53/18/1019505318.db2.gz NSCPPHMCNVERMK-IBGZPJMESA-N 2 2 318.424 3.851 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)[nH]1 ZINC000092072837 1019505325 /nfs/dbraw/zinc/50/53/25/1019505325.db2.gz NSCPPHMCNVERMK-IBGZPJMESA-N 2 2 318.424 3.851 20 0 DHADLP C[N@@H+](Cc1ccc(Cl)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336718 1019557423 /nfs/dbraw/zinc/55/74/23/1019557423.db2.gz YFKOOWLTVFCBLP-INIZCTEOSA-N 2 2 318.848 3.887 20 0 DHADLP C[N@H+](Cc1ccc(Cl)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336718 1019557446 /nfs/dbraw/zinc/55/74/46/1019557446.db2.gz YFKOOWLTVFCBLP-INIZCTEOSA-N 2 2 318.848 3.887 20 0 DHADLP C[NH+](Cc1ccc(Cl)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336718 1019557458 /nfs/dbraw/zinc/55/74/58/1019557458.db2.gz YFKOOWLTVFCBLP-INIZCTEOSA-N 2 2 318.848 3.887 20 0 DHADLP C[NH+](Cc1ccc(Cl)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336718 1019557465 /nfs/dbraw/zinc/55/74/65/1019557465.db2.gz YFKOOWLTVFCBLP-INIZCTEOSA-N 2 2 318.848 3.887 20 0 DHADLP Cc1ccc(COc2ccc(C[NH2+]CC[NH+]3CCCC3)cc2)cc1 ZINC000060844582 1019724400 /nfs/dbraw/zinc/72/44/00/1019724400.db2.gz ZWECWWLWDRSCSY-UHFFFAOYSA-N 2 2 324.468 3.759 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CC(CF)(CF)C1)c1ccccc1 ZINC000657881383 1019732625 /nfs/dbraw/zinc/73/26/25/1019732625.db2.gz NPAZIQNXUHBPAX-AWEZNQCLSA-N 2 2 310.432 3.793 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(C)(C)C(F)F ZINC000657882800 1019737071 /nfs/dbraw/zinc/73/70/71/1019737071.db2.gz MSMIDNRWHFGPIF-HOCLYGCPSA-N 2 2 310.432 3.920 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(C)(C)C(F)F ZINC000657882800 1019737090 /nfs/dbraw/zinc/73/70/90/1019737090.db2.gz MSMIDNRWHFGPIF-HOCLYGCPSA-N 2 2 310.432 3.920 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657882163 1019738303 /nfs/dbraw/zinc/73/83/03/1019738303.db2.gz JOMLNOOWPRPNBL-MSOLQXFVSA-N 2 2 304.503 3.526 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657882163 1019738311 /nfs/dbraw/zinc/73/83/11/1019738311.db2.gz JOMLNOOWPRPNBL-MSOLQXFVSA-N 2 2 304.503 3.526 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C(F)F)nc1 ZINC000657899144 1019898613 /nfs/dbraw/zinc/89/86/13/1019898613.db2.gz ALPIOYJDXYMATM-GFCCVEGCSA-N 2 2 306.360 3.567 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CCC(C3CCCCC3)CC1)C2 ZINC000685629788 1019988268 /nfs/dbraw/zinc/98/82/68/1019988268.db2.gz ZVMCFSRMFKKVPO-JCYILVPMSA-N 2 2 301.478 3.996 20 0 DHADLP COc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000070737307 1020063373 /nfs/dbraw/zinc/06/33/73/1020063373.db2.gz QYCOOHIVOINCRR-UHFFFAOYSA-N 2 2 307.397 3.513 20 0 DHADLP COc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000070737307 1020063383 /nfs/dbraw/zinc/06/33/83/1020063383.db2.gz QYCOOHIVOINCRR-UHFFFAOYSA-N 2 2 307.397 3.513 20 0 DHADLP c1cn(-c2csc(C[NH2+]CC3C[C@H]4CC[C@@H](C3)S4)c2)c[nH+]1 ZINC000922422540 1020066757 /nfs/dbraw/zinc/06/67/57/1020066757.db2.gz MPKWICRUSPPRBO-LQDVMPOASA-N 2 2 319.499 3.698 20 0 DHADLP CC1CC[NH+](CCC[NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428869304 1020098562 /nfs/dbraw/zinc/09/85/62/1020098562.db2.gz COQKEWZEWNOQBS-UHFFFAOYSA-N 2 2 321.465 3.647 20 0 DHADLP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877794697 1033454328 /nfs/dbraw/zinc/45/43/28/1033454328.db2.gz QFRDMDSUMWSZLY-ZDUSSCGKSA-N 2 2 305.293 3.521 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000658089864 1020133524 /nfs/dbraw/zinc/13/35/24/1020133524.db2.gz BKSPGLOZOPFFEL-NZSAHSFTSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000658089864 1020133527 /nfs/dbraw/zinc/13/35/27/1020133527.db2.gz BKSPGLOZOPFFEL-NZSAHSFTSA-N 2 2 316.489 3.617 20 0 DHADLP C[N@H+](CCc1ccccc1F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000731671889 1020137293 /nfs/dbraw/zinc/13/72/93/1020137293.db2.gz ZHUMNUBSJIWERF-UHFFFAOYSA-N 2 2 309.388 3.686 20 0 DHADLP C[N@@H+](CCc1ccccc1F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000731671889 1020137302 /nfs/dbraw/zinc/13/73/02/1020137302.db2.gz ZHUMNUBSJIWERF-UHFFFAOYSA-N 2 2 309.388 3.686 20 0 DHADLP C/C(=C\c1ccccc1)C[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000922631271 1020178489 /nfs/dbraw/zinc/17/84/89/1020178489.db2.gz KQOYWYVNVAEPGY-BBKFTCMMSA-N 2 2 309.457 3.768 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000390576280 1020210128 /nfs/dbraw/zinc/21/01/28/1020210128.db2.gz WKBLFRMYNVEIPG-IBGZPJMESA-N 2 2 312.432 3.888 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1F ZINC000390576280 1020210138 /nfs/dbraw/zinc/21/01/38/1020210138.db2.gz WKBLFRMYNVEIPG-IBGZPJMESA-N 2 2 312.432 3.888 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000765799829 1020237550 /nfs/dbraw/zinc/23/75/50/1020237550.db2.gz IXWQDSWIANLVDW-CVEARBPZSA-N 2 2 304.478 3.999 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000765799829 1020237557 /nfs/dbraw/zinc/23/75/57/1020237557.db2.gz IXWQDSWIANLVDW-CVEARBPZSA-N 2 2 304.478 3.999 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)[C@H](C)C2 ZINC000658247089 1020254103 /nfs/dbraw/zinc/25/41/03/1020254103.db2.gz ZMDXCXUYOSEHGR-IERDGZPVSA-N 2 2 321.468 3.882 20 0 DHADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1OC1CC1 ZINC000347732036 1020266437 /nfs/dbraw/zinc/26/64/37/1020266437.db2.gz ANRJMNGTTCNQNY-KRWDZBQOSA-N 2 2 302.462 3.534 20 0 DHADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1OC1CC1 ZINC000347732036 1020266448 /nfs/dbraw/zinc/26/64/48/1020266448.db2.gz ANRJMNGTTCNQNY-KRWDZBQOSA-N 2 2 302.462 3.534 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1OC1CC1 ZINC000347732036 1020266455 /nfs/dbraw/zinc/26/64/55/1020266455.db2.gz ANRJMNGTTCNQNY-KRWDZBQOSA-N 2 2 302.462 3.534 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1OC1CC1 ZINC000347732036 1020266463 /nfs/dbraw/zinc/26/64/63/1020266463.db2.gz ANRJMNGTTCNQNY-KRWDZBQOSA-N 2 2 302.462 3.534 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H]3CCSC4(CCC4)C3)c2)c[nH+]1 ZINC000922844162 1020301464 /nfs/dbraw/zinc/30/14/64/1020301464.db2.gz AITXEVGMXQGLDU-CYBMUJFWSA-N 2 2 319.499 3.842 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000347751893 1020303800 /nfs/dbraw/zinc/30/38/00/1020303800.db2.gz QLTKQCJBTAISAY-JZHDPFOFSA-N 2 2 309.457 3.921 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000347751893 1020303808 /nfs/dbraw/zinc/30/38/08/1020303808.db2.gz QLTKQCJBTAISAY-JZHDPFOFSA-N 2 2 309.457 3.921 20 0 DHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000387556605 1020318645 /nfs/dbraw/zinc/31/86/45/1020318645.db2.gz RWVIKDOIIWPSHI-MRXNPFEDSA-N 2 2 301.434 3.801 20 0 DHADLP C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000658363837 1020327673 /nfs/dbraw/zinc/32/76/73/1020327673.db2.gz XXFRXJYEYKDBOO-RZQQEMMASA-N 2 2 321.424 3.645 20 0 DHADLP C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000658363834 1020328103 /nfs/dbraw/zinc/32/81/03/1020328103.db2.gz XXFRXJYEYKDBOO-FTRWYGJKSA-N 2 2 321.424 3.645 20 0 DHADLP CCC[C@H](C)CCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000858432382 1032893297 /nfs/dbraw/zinc/89/32/97/1032893297.db2.gz QWXPCRLMKYOZSQ-YQVWRLOYSA-N 2 2 310.526 3.824 20 0 DHADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000623656462 1020340964 /nfs/dbraw/zinc/34/09/64/1020340964.db2.gz UURQBVHABKZYDT-ZDUSSCGKSA-N 2 2 321.515 3.693 20 0 DHADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000623656462 1020340969 /nfs/dbraw/zinc/34/09/69/1020340969.db2.gz UURQBVHABKZYDT-ZDUSSCGKSA-N 2 2 321.515 3.693 20 0 DHADLP Fc1cc([C@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc(F)c1F ZINC000892441933 1020357686 /nfs/dbraw/zinc/35/76/86/1020357686.db2.gz URLQEOLEFYTIPO-CZUORRHYSA-N 2 2 323.362 3.616 20 0 DHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccns1 ZINC000404435442 1020419126 /nfs/dbraw/zinc/41/91/26/1020419126.db2.gz BXBXWHIHWJINNX-QGZVFWFLSA-N 2 2 315.486 3.533 20 0 DHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccns1 ZINC000404435442 1020419132 /nfs/dbraw/zinc/41/91/32/1020419132.db2.gz BXBXWHIHWJINNX-QGZVFWFLSA-N 2 2 315.486 3.533 20 0 DHADLP C[NH+](C)CC(C)(C)CNc1ccc(C2(C(F)(F)F)CC2)c[nH+]1 ZINC001168766746 1020455930 /nfs/dbraw/zinc/45/59/30/1020455930.db2.gz SAFZEEBXNBHRPT-UHFFFAOYSA-N 2 2 315.383 3.675 20 0 DHADLP CC[NH2+]CCC[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000569802110 1020487871 /nfs/dbraw/zinc/48/78/71/1020487871.db2.gz AQDBSJYSTLDBNI-GFCCVEGCSA-N 2 2 307.438 3.599 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000350087166 1020501329 /nfs/dbraw/zinc/50/13/29/1020501329.db2.gz DPENPJBQYGZAKU-DOTOQJQBSA-N 2 2 310.526 3.680 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)oc1C ZINC000282446078 1020501865 /nfs/dbraw/zinc/50/18/65/1020501865.db2.gz ZQCXOZQJGHCXJY-CYBMUJFWSA-N 2 2 310.401 3.636 20 0 DHADLP Cc1cccn2cc(CCNc3cc[nH+]c4cc(F)ccc34)[nH+]c12 ZINC000673817095 1020509363 /nfs/dbraw/zinc/50/93/63/1020509363.db2.gz KXXYSIAOELBTGD-UHFFFAOYSA-N 2 2 320.371 3.985 20 0 DHADLP CCc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000347820137 1020521343 /nfs/dbraw/zinc/52/13/43/1020521343.db2.gz QLVHESGERADCKJ-UHFFFAOYSA-N 2 2 323.484 3.740 20 0 DHADLP CCc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000347820137 1020521352 /nfs/dbraw/zinc/52/13/52/1020521352.db2.gz QLVHESGERADCKJ-UHFFFAOYSA-N 2 2 323.484 3.740 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000765858522 1020524904 /nfs/dbraw/zinc/52/49/04/1020524904.db2.gz GZJKUORRRUWOPD-KZNAEPCWSA-N 2 2 322.537 3.824 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)c1ccc2c(c1)CCO2 ZINC000765908076 1020574380 /nfs/dbraw/zinc/57/43/80/1020574380.db2.gz XIYRLNPDQUAYCW-ROUUACIJSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)c1ccc2c(c1)CCO2 ZINC000765908076 1020574386 /nfs/dbraw/zinc/57/43/86/1020574386.db2.gz XIYRLNPDQUAYCW-ROUUACIJSA-N 2 2 302.462 3.537 20 0 DHADLP Fc1cccc2c1SCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000178343587 1020738874 /nfs/dbraw/zinc/73/88/74/1020738874.db2.gz VUFWQRGQOJOWFP-OAHLLOKOSA-N 2 2 317.433 3.849 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001171968719 1032930012 /nfs/dbraw/zinc/93/00/12/1032930012.db2.gz IAILLGPYYSQEQG-CYBMUJFWSA-N 2 2 314.395 3.662 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001171968719 1032930026 /nfs/dbraw/zinc/93/00/26/1032930026.db2.gz IAILLGPYYSQEQG-CYBMUJFWSA-N 2 2 314.395 3.662 20 0 DHADLP Fc1ccc(CC[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c(Cl)c1 ZINC000685844907 1020810691 /nfs/dbraw/zinc/81/06/91/1020810691.db2.gz GBZMOGKCPHKYEQ-INIZCTEOSA-N 2 2 310.844 3.628 20 0 DHADLP Fc1ccc(CC[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c(Cl)c1 ZINC000685844907 1020810702 /nfs/dbraw/zinc/81/07/02/1020810702.db2.gz GBZMOGKCPHKYEQ-INIZCTEOSA-N 2 2 310.844 3.628 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]C[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000892527217 1020834430 /nfs/dbraw/zinc/83/44/30/1020834430.db2.gz MWLZREUYESHBJY-IBGZPJMESA-N 2 2 317.436 3.751 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001171966354 1032939154 /nfs/dbraw/zinc/93/91/54/1032939154.db2.gz UXAGVRAGLAGECP-CZUORRHYSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001171966354 1032939164 /nfs/dbraw/zinc/93/91/64/1032939164.db2.gz UXAGVRAGLAGECP-CZUORRHYSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924574378 1020921041 /nfs/dbraw/zinc/92/10/41/1020921041.db2.gz VUODQIIOWNNHHQ-CJNGLKHVSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924574378 1020921049 /nfs/dbraw/zinc/92/10/49/1020921049.db2.gz VUODQIIOWNNHHQ-CJNGLKHVSA-N 2 2 307.869 3.576 20 0 DHADLP CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000414231483 1021017513 /nfs/dbraw/zinc/01/75/13/1021017513.db2.gz PBAREDSDMUDXAM-VCBZYWHSSA-N 2 2 313.445 3.727 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccns1 ZINC000858576786 1032952265 /nfs/dbraw/zinc/95/22/65/1032952265.db2.gz NAKWNERKPVOYHL-FMKPAKJESA-N 2 2 307.507 3.837 20 0 DHADLP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ncccc1Cl ZINC000924648665 1032954332 /nfs/dbraw/zinc/95/43/32/1032954332.db2.gz NJMVQZFPRIIALT-CZUORRHYSA-N 2 2 307.869 3.650 20 0 DHADLP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ncccc1Cl ZINC000924648665 1032954357 /nfs/dbraw/zinc/95/43/57/1032954357.db2.gz NJMVQZFPRIIALT-CZUORRHYSA-N 2 2 307.869 3.650 20 0 DHADLP C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000742378567 1021115379 /nfs/dbraw/zinc/11/53/79/1021115379.db2.gz VAHGQPJBDNARTH-AEFFLSMTSA-N 2 2 315.505 3.890 20 0 DHADLP Cc1cccc(F)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000742379951 1021115671 /nfs/dbraw/zinc/11/56/71/1021115671.db2.gz DGJWHEZJOYEBMU-UHFFFAOYSA-N 2 2 312.432 3.888 20 0 DHADLP Clc1cccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001207418709 1021124705 /nfs/dbraw/zinc/12/47/05/1021124705.db2.gz FVLPLGKVGLKETQ-UHFFFAOYSA-N 2 2 306.881 3.833 20 0 DHADLP CC(C)CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000090228187 1021218403 /nfs/dbraw/zinc/21/84/03/1021218403.db2.gz ZDSXDWKREHOUNS-MJGOQNOKSA-N 2 2 317.521 3.954 20 0 DHADLP CC(C)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000090228187 1021218418 /nfs/dbraw/zinc/21/84/18/1021218418.db2.gz ZDSXDWKREHOUNS-MJGOQNOKSA-N 2 2 317.521 3.954 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000337390447 1032962652 /nfs/dbraw/zinc/96/26/52/1032962652.db2.gz HFIQLGTVNYMPLE-SFHVURJKSA-N 2 2 319.399 3.600 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000337390447 1032962667 /nfs/dbraw/zinc/96/26/67/1032962667.db2.gz HFIQLGTVNYMPLE-SFHVURJKSA-N 2 2 319.399 3.600 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000337393358 1032962729 /nfs/dbraw/zinc/96/27/29/1032962729.db2.gz OLDJWFVRNQBQIU-GOSISDBHSA-N 2 2 309.457 3.907 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000337393358 1032962741 /nfs/dbraw/zinc/96/27/41/1032962741.db2.gz OLDJWFVRNQBQIU-GOSISDBHSA-N 2 2 309.457 3.907 20 0 DHADLP CC[C@H]1COCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984036 1032966691 /nfs/dbraw/zinc/96/66/91/1032966691.db2.gz BWGVMYWZESCMLT-OALUTQOASA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@H]1COCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984036 1032966702 /nfs/dbraw/zinc/96/67/02/1032966702.db2.gz BWGVMYWZESCMLT-OALUTQOASA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@H]1COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984036 1032966712 /nfs/dbraw/zinc/96/67/12/1032966712.db2.gz BWGVMYWZESCMLT-OALUTQOASA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@H]1COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984036 1032966726 /nfs/dbraw/zinc/96/67/26/1032966726.db2.gz BWGVMYWZESCMLT-OALUTQOASA-N 2 2 316.489 3.540 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cnccn1 ZINC001171982673 1032967320 /nfs/dbraw/zinc/96/73/20/1032967320.db2.gz JNSHYIZRRRMUQE-FUHWJXTLSA-N 2 2 324.472 3.570 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cnccn1 ZINC001171982673 1032967324 /nfs/dbraw/zinc/96/73/24/1032967324.db2.gz JNSHYIZRRRMUQE-FUHWJXTLSA-N 2 2 324.472 3.570 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000177374248 1021258439 /nfs/dbraw/zinc/25/84/39/1021258439.db2.gz NSOUJGZPKWAIMK-XPGWFJOJSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000177374248 1021258441 /nfs/dbraw/zinc/25/84/41/1021258441.db2.gz NSOUJGZPKWAIMK-XPGWFJOJSA-N 2 2 312.432 3.987 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000252426898 1021285953 /nfs/dbraw/zinc/28/59/53/1021285953.db2.gz WOQAXCIWOOXHJR-ZFWWWQNUSA-N 2 2 310.894 3.951 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000252426898 1021285957 /nfs/dbraw/zinc/28/59/57/1021285957.db2.gz WOQAXCIWOOXHJR-ZFWWWQNUSA-N 2 2 310.894 3.951 20 0 DHADLP CC1(C)C[C@H]([NH+]2CCC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979972 1032966264 /nfs/dbraw/zinc/96/62/64/1032966264.db2.gz CONOTNWHRRYXCC-QZTJIDSGSA-N 2 2 304.453 3.864 20 0 DHADLP CC1(C)C[C@H]([NH+]2CCC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979972 1032966272 /nfs/dbraw/zinc/96/62/72/1032966272.db2.gz CONOTNWHRRYXCC-QZTJIDSGSA-N 2 2 304.453 3.864 20 0 DHADLP CC1(C)C[C@H]([N@@H+]2CCC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171979972 1032966287 /nfs/dbraw/zinc/96/62/87/1032966287.db2.gz CONOTNWHRRYXCC-QZTJIDSGSA-N 2 2 304.453 3.864 20 0 DHADLP CC1(C)C[C@H]([N@H+]2CCC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171979972 1032966303 /nfs/dbraw/zinc/96/63/03/1032966303.db2.gz CONOTNWHRRYXCC-QZTJIDSGSA-N 2 2 304.453 3.864 20 0 DHADLP Nc1ccc(CS[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000917866609 1021381290 /nfs/dbraw/zinc/38/12/90/1021381290.db2.gz RASCPIGBBGVDPS-KRWDZBQOSA-N 2 2 313.470 3.562 20 0 DHADLP Nc1ccc(CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000917866609 1021381309 /nfs/dbraw/zinc/38/13/09/1021381309.db2.gz RASCPIGBBGVDPS-KRWDZBQOSA-N 2 2 313.470 3.562 20 0 DHADLP CC[C@H](OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000649549112 1021408095 /nfs/dbraw/zinc/40/80/95/1021408095.db2.gz UKCFHKWOELYFRX-SFHVURJKSA-N 2 2 313.445 3.757 20 0 DHADLP Clc1cnc2oc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc2c1 ZINC000648366893 1021483927 /nfs/dbraw/zinc/48/39/27/1021483927.db2.gz FKZZZAMRDVYXJT-CQSZACIVSA-N 2 2 316.792 3.515 20 0 DHADLP Clc1cnc2oc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc2c1 ZINC000648366893 1021483936 /nfs/dbraw/zinc/48/39/36/1021483936.db2.gz FKZZZAMRDVYXJT-CQSZACIVSA-N 2 2 316.792 3.515 20 0 DHADLP c1[nH+]c([C@H]2CCC[N@@H+](CCC3CCCC3)C2)n2c1CCCC2 ZINC000337428870 1032989604 /nfs/dbraw/zinc/98/96/04/1032989604.db2.gz DDWXCKMGLONPKZ-KRWDZBQOSA-N 2 2 301.478 3.979 20 0 DHADLP c1[nH+]c([C@H]2CCC[N@H+](CCC3CCCC3)C2)n2c1CCCC2 ZINC000337428870 1032989619 /nfs/dbraw/zinc/98/96/19/1032989619.db2.gz DDWXCKMGLONPKZ-KRWDZBQOSA-N 2 2 301.478 3.979 20 0 DHADLP F[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068032 1032995449 /nfs/dbraw/zinc/99/54/49/1032995449.db2.gz GQLXUCPQTBQNFA-OKYOBFRVSA-N 2 2 302.437 3.616 20 0 DHADLP F[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068032 1032995463 /nfs/dbraw/zinc/99/54/63/1032995463.db2.gz GQLXUCPQTBQNFA-OKYOBFRVSA-N 2 2 302.437 3.616 20 0 DHADLP F[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068032 1032995473 /nfs/dbraw/zinc/99/54/73/1032995473.db2.gz GQLXUCPQTBQNFA-OKYOBFRVSA-N 2 2 302.437 3.616 20 0 DHADLP F[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068032 1032995486 /nfs/dbraw/zinc/99/54/86/1032995486.db2.gz GQLXUCPQTBQNFA-OKYOBFRVSA-N 2 2 302.437 3.616 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766325018 1021662301 /nfs/dbraw/zinc/66/23/01/1021662301.db2.gz IVDWQPLRIKJGOD-WMLDXEAASA-N 2 2 313.445 3.869 20 0 DHADLP COc1ccc2[nH+]ccc(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000892911002 1021678088 /nfs/dbraw/zinc/67/80/88/1021678088.db2.gz HSIXGWUWHWQDJC-IFXJQAMLSA-N 2 2 322.412 3.527 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000379648374 1021963863 /nfs/dbraw/zinc/96/38/63/1021963863.db2.gz MKPLPVZNUXKSBA-HKUYNNGSSA-N 2 2 309.457 3.533 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000379648374 1021963869 /nfs/dbraw/zinc/96/38/69/1021963869.db2.gz MKPLPVZNUXKSBA-HKUYNNGSSA-N 2 2 309.457 3.533 20 0 DHADLP CC(C)c1ccccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001168849367 1022161206 /nfs/dbraw/zinc/16/12/06/1022161206.db2.gz ZCVDPKGBWLJNRV-KRWDZBQOSA-N 2 2 311.473 3.998 20 0 DHADLP CC(C)c1ccccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001168849367 1022161210 /nfs/dbraw/zinc/16/12/10/1022161210.db2.gz ZCVDPKGBWLJNRV-KRWDZBQOSA-N 2 2 311.473 3.998 20 0 DHADLP Cc1ccc2c(NCCc3cn4ccccc4[nH+]3)cc[nH+]c2c1 ZINC001169011357 1022214411 /nfs/dbraw/zinc/21/44/11/1022214411.db2.gz QWOBEONRHZBCKO-UHFFFAOYSA-N 2 2 302.381 3.846 20 0 DHADLP COc1cc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)ccc1F ZINC000153550361 1022221483 /nfs/dbraw/zinc/22/14/83/1022221483.db2.gz IMPKMMPUKIPOBG-AWEZNQCLSA-N 2 2 317.408 3.772 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001169126492 1022260709 /nfs/dbraw/zinc/26/07/09/1022260709.db2.gz VDXMNBYISPLLNR-JTJHWIPRSA-N 2 2 321.468 3.518 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001169126492 1022260719 /nfs/dbraw/zinc/26/07/19/1022260719.db2.gz VDXMNBYISPLLNR-JTJHWIPRSA-N 2 2 321.468 3.518 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001169126492 1022260730 /nfs/dbraw/zinc/26/07/30/1022260730.db2.gz VDXMNBYISPLLNR-JTJHWIPRSA-N 2 2 321.468 3.518 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001169126492 1022260741 /nfs/dbraw/zinc/26/07/41/1022260741.db2.gz VDXMNBYISPLLNR-JTJHWIPRSA-N 2 2 321.468 3.518 20 0 DHADLP C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000921482423 1022266555 /nfs/dbraw/zinc/26/65/55/1022266555.db2.gz MIDMESWXOZBOSO-HNNXBMFYSA-N 2 2 319.408 3.658 20 0 DHADLP Cc1cc2cc(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)[nH+]cc2[nH]1 ZINC001169141752 1022271429 /nfs/dbraw/zinc/27/14/29/1022271429.db2.gz KNUKYPHDNOWBAS-KSSFIOAISA-N 2 2 300.450 3.827 20 0 DHADLP Cn1c[nH+]c2ccc(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc21 ZINC001169149061 1022280459 /nfs/dbraw/zinc/28/04/59/1022280459.db2.gz XQOMIGWGBJQSRX-KDOFPFPSSA-N 2 2 300.450 3.529 20 0 DHADLP Cc1nc(C)c([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000111361282 1022284209 /nfs/dbraw/zinc/28/42/09/1022284209.db2.gz WYVHZAGSRHFDRH-TZMCWYRMSA-N 2 2 306.479 3.722 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3cccc(C(F)(F)F)c3C1)C2 ZINC001169155633 1022284677 /nfs/dbraw/zinc/28/46/77/1022284677.db2.gz SUPSKLVOYDKUCC-QDMKHBRRSA-N 2 2 324.390 3.689 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3cccc(C(F)(F)F)c3C1)C2 ZINC001169155633 1022284683 /nfs/dbraw/zinc/28/46/83/1022284683.db2.gz SUPSKLVOYDKUCC-QDMKHBRRSA-N 2 2 324.390 3.689 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3cccc(C(F)(F)F)c3C1)C2 ZINC001169155633 1022284694 /nfs/dbraw/zinc/28/46/94/1022284694.db2.gz SUPSKLVOYDKUCC-QDMKHBRRSA-N 2 2 324.390 3.689 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3cccc(C(F)(F)F)c3C1)C2 ZINC001169155633 1022284702 /nfs/dbraw/zinc/28/47/02/1022284702.db2.gz SUPSKLVOYDKUCC-QDMKHBRRSA-N 2 2 324.390 3.689 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccc(F)cc1F)C2 ZINC001169155311 1022286101 /nfs/dbraw/zinc/28/61/01/1022286101.db2.gz MRRIZPPBPQJLFW-LDDOYCOJSA-N 2 2 306.400 3.727 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1ccc(F)cc1F)C2 ZINC001169155311 1022286104 /nfs/dbraw/zinc/28/61/04/1022286104.db2.gz MRRIZPPBPQJLFW-LDDOYCOJSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1ccc(F)cc1F)C2 ZINC001169155311 1022286114 /nfs/dbraw/zinc/28/61/14/1022286114.db2.gz MRRIZPPBPQJLFW-LDDOYCOJSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1ccc(F)cc1F)C2 ZINC001169155311 1022286120 /nfs/dbraw/zinc/28/61/20/1022286120.db2.gz MRRIZPPBPQJLFW-LDDOYCOJSA-N 2 2 306.400 3.727 20 0 DHADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1SC(C)(C)C ZINC000854226611 1022436156 /nfs/dbraw/zinc/43/61/56/1022436156.db2.gz IWXGCDNQMNSBKW-VNSJNIRKSA-N 2 2 304.503 3.980 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1F ZINC000318865145 1022564623 /nfs/dbraw/zinc/56/46/23/1022564623.db2.gz LNLWJRREMOIMJZ-WFASDCNBSA-N 2 2 307.388 3.927 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCSCC1 ZINC000584808600 1022766563 /nfs/dbraw/zinc/76/65/63/1022766563.db2.gz XPVQNXMDTUGODO-OAHLLOKOSA-N 2 2 315.486 3.553 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1Cl ZINC000163805960 1022930001 /nfs/dbraw/zinc/93/00/01/1022930001.db2.gz IQWNYIQQKZWUEW-CYBMUJFWSA-N 2 2 319.836 3.896 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(O)ccc2Cl)cc1 ZINC000859212978 1033098874 /nfs/dbraw/zinc/09/88/74/1033098874.db2.gz LHSDDEGBKCBBBE-UHFFFAOYSA-N 2 2 318.848 3.739 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(O)ccc2Cl)cc1 ZINC000859212978 1033098887 /nfs/dbraw/zinc/09/88/87/1033098887.db2.gz LHSDDEGBKCBBBE-UHFFFAOYSA-N 2 2 318.848 3.739 20 0 DHADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000397921779 1023001731 /nfs/dbraw/zinc/00/17/31/1023001731.db2.gz OLHPPFRJJQAWAO-VAMGGRTRSA-N 2 2 316.489 3.588 20 0 DHADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000397921779 1023001737 /nfs/dbraw/zinc/00/17/37/1023001737.db2.gz OLHPPFRJJQAWAO-VAMGGRTRSA-N 2 2 316.489 3.588 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000166134801 1023004955 /nfs/dbraw/zinc/00/49/55/1023004955.db2.gz YRHHBQKOWQJTJC-IBGZPJMESA-N 2 2 309.457 3.738 20 0 DHADLP c1cc(N2CCC(Nc3ccc([NH+]4CCCC4)cc3)CC2)cc[nH+]1 ZINC000297998832 1023024206 /nfs/dbraw/zinc/02/42/06/1023024206.db2.gz ZHWJTVFKZGNCFW-UHFFFAOYSA-N 2 2 322.456 3.763 20 0 DHADLP c1cc(N2CCC([NH2+]c3ccc(N4CCCC4)cc3)CC2)cc[nH+]1 ZINC000297998832 1023024218 /nfs/dbraw/zinc/02/42/18/1023024218.db2.gz ZHWJTVFKZGNCFW-UHFFFAOYSA-N 2 2 322.456 3.763 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001167752361 1023032369 /nfs/dbraw/zinc/03/23/69/1023032369.db2.gz FTYINDUNAJQLQO-KRWDZBQOSA-N 2 2 312.461 3.608 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001167752361 1023032375 /nfs/dbraw/zinc/03/23/75/1023032375.db2.gz FTYINDUNAJQLQO-KRWDZBQOSA-N 2 2 312.461 3.608 20 0 DHADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC000651492449 1023039997 /nfs/dbraw/zinc/03/99/97/1023039997.db2.gz HQGOCVFKCMFTOE-FQEVSTJZSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC000651492449 1023040004 /nfs/dbraw/zinc/04/00/04/1023040004.db2.gz HQGOCVFKCMFTOE-FQEVSTJZSA-N 2 2 323.484 3.575 20 0 DHADLP CCCCCN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000088670565 1023061642 /nfs/dbraw/zinc/06/16/42/1023061642.db2.gz NTKYJRQLBAOINH-UHFFFAOYSA-N 2 2 321.484 3.636 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)c(C)n1 ZINC000364349481 1023067757 /nfs/dbraw/zinc/06/77/57/1023067757.db2.gz AQDQMOWIJRZPKW-GOSISDBHSA-N 2 2 312.461 3.683 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)c(C)n1 ZINC000364349481 1023067770 /nfs/dbraw/zinc/06/77/70/1023067770.db2.gz AQDQMOWIJRZPKW-GOSISDBHSA-N 2 2 312.461 3.683 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000859215103 1033104193 /nfs/dbraw/zinc/10/41/93/1033104193.db2.gz ZGPCBYCPOQHNMU-UHFFFAOYSA-N 2 2 315.461 3.666 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000859215103 1033104202 /nfs/dbraw/zinc/10/42/02/1033104202.db2.gz ZGPCBYCPOQHNMU-UHFFFAOYSA-N 2 2 315.461 3.666 20 0 DHADLP Clc1nccc2oc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000876621370 1033108064 /nfs/dbraw/zinc/10/80/64/1033108064.db2.gz ZRJIMNMLEJLLCH-LLVKDONJSA-N 2 2 316.792 3.584 20 0 DHADLP Clc1nccc2oc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000876621370 1033108065 /nfs/dbraw/zinc/10/80/65/1033108065.db2.gz ZRJIMNMLEJLLCH-LLVKDONJSA-N 2 2 316.792 3.584 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ncco1 ZINC000924669119 1033120894 /nfs/dbraw/zinc/12/08/94/1033120894.db2.gz IYCFTAGSPUTKEF-HOTGVXAUSA-N 2 2 313.445 3.900 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ncco1 ZINC000924669119 1033120905 /nfs/dbraw/zinc/12/09/05/1033120905.db2.gz IYCFTAGSPUTKEF-HOTGVXAUSA-N 2 2 313.445 3.900 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651676177 1023451755 /nfs/dbraw/zinc/45/17/55/1023451755.db2.gz RDIDXRCUANHKSW-HZPDHXFCSA-N 2 2 306.413 3.684 20 0 DHADLP Clc1cscc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000771943985 1023492476 /nfs/dbraw/zinc/49/24/76/1023492476.db2.gz WFNBJDAOYGDWQV-UHFFFAOYSA-N 2 2 307.850 3.555 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(-c2ccccc2)cn1 ZINC000651749911 1023514972 /nfs/dbraw/zinc/51/49/72/1023514972.db2.gz NNVFPFDTFLLQAL-KRWDZBQOSA-N 2 2 309.457 3.885 20 0 DHADLP CCCOc1cccc2c(NC[C@H]3CCC[N@H+](C)C3)cc[nH+]c12 ZINC000538713281 1033139776 /nfs/dbraw/zinc/13/97/76/1033139776.db2.gz FMMQQHZNZHVVEL-OAHLLOKOSA-N 2 2 313.445 3.777 20 0 DHADLP CCCOc1cccc2c(NC[C@H]3CCC[N@@H+](C)C3)cc[nH+]c12 ZINC000538713281 1033139783 /nfs/dbraw/zinc/13/97/83/1033139783.db2.gz FMMQQHZNZHVVEL-OAHLLOKOSA-N 2 2 313.445 3.777 20 0 DHADLP COCCc1cc[nH+]c(NCc2[nH+]c(C(C)C)n3ccccc23)c1 ZINC000651805003 1023558412 /nfs/dbraw/zinc/55/84/12/1023558412.db2.gz CEOXJIMAONXDMX-UHFFFAOYSA-N 2 2 324.428 3.654 20 0 DHADLP Fc1cccc(CCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000538712831 1033141804 /nfs/dbraw/zinc/14/18/04/1033141804.db2.gz PQHDGCROZKSRFR-UHFFFAOYSA-N 2 2 313.420 3.730 20 0 DHADLP CC(C)C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000652199738 1023701277 /nfs/dbraw/zinc/70/12/77/1023701277.db2.gz AUMJGTOAGBPAGS-RDJZCZTQSA-N 2 2 301.409 3.783 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000652241284 1023711977 /nfs/dbraw/zinc/71/19/77/1023711977.db2.gz BYOACNSMRKPYSL-PBWTXFEYSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000652241284 1023711985 /nfs/dbraw/zinc/71/19/85/1023711985.db2.gz BYOACNSMRKPYSL-PBWTXFEYSA-N 2 2 315.505 3.706 20 0 DHADLP Cc1ccc(-c2cc[nH+]c(NCc3ccc(N)[nH+]c3C)c2)cc1 ZINC001167784814 1023804440 /nfs/dbraw/zinc/80/44/40/1023804440.db2.gz DHQIQWPCXZOTBV-UHFFFAOYSA-N 2 2 304.397 3.955 20 0 DHADLP CCOC1CC([NH2+][C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000709630652 1023837146 /nfs/dbraw/zinc/83/71/46/1023837146.db2.gz LHAYXFNTHXCVRI-HDYDNRTBSA-N 2 2 316.489 3.588 20 0 DHADLP CCOC1CC([NH2+][C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000709630652 1023837149 /nfs/dbraw/zinc/83/71/49/1023837149.db2.gz LHAYXFNTHXCVRI-HDYDNRTBSA-N 2 2 316.489 3.588 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)nc2ccccc12 ZINC000129567162 1024020408 /nfs/dbraw/zinc/02/04/08/1024020408.db2.gz LNPUBKZKBAJGPA-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)nc2ccccc12 ZINC000129567162 1024020433 /nfs/dbraw/zinc/02/04/33/1024020433.db2.gz LNPUBKZKBAJGPA-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1SC ZINC000268766853 1024154570 /nfs/dbraw/zinc/15/45/70/1024154570.db2.gz JPJSCGCYCQZADT-NUEKZKHPSA-N 2 2 320.502 3.695 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1SC ZINC000268766853 1024154576 /nfs/dbraw/zinc/15/45/76/1024154576.db2.gz JPJSCGCYCQZADT-NUEKZKHPSA-N 2 2 320.502 3.695 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000268797926 1024164085 /nfs/dbraw/zinc/16/40/85/1024164085.db2.gz JDTHLMQVWUVVTB-WZRBSPASSA-N 2 2 323.893 3.768 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000268797926 1024164090 /nfs/dbraw/zinc/16/40/90/1024164090.db2.gz JDTHLMQVWUVVTB-WZRBSPASSA-N 2 2 323.893 3.768 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000268838145 1024173869 /nfs/dbraw/zinc/17/38/69/1024173869.db2.gz YVSAYAXTNNBWQQ-CMPLNLGQSA-N 2 2 309.866 3.522 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)CC[N@H+]1C ZINC000268838145 1024173871 /nfs/dbraw/zinc/17/38/71/1024173871.db2.gz YVSAYAXTNNBWQQ-CMPLNLGQSA-N 2 2 309.866 3.522 20 0 DHADLP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268957415 1024204547 /nfs/dbraw/zinc/20/45/47/1024204547.db2.gz WLHZGBFEZMXHEC-OXJNMPFZSA-N 2 2 321.424 3.565 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000237551832 1024205876 /nfs/dbraw/zinc/20/58/76/1024205876.db2.gz WUXDHCJESLXHMS-AWEZNQCLSA-N 2 2 304.409 3.824 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000067507142 1024248728 /nfs/dbraw/zinc/24/87/28/1024248728.db2.gz QPXQSNNNXYWEPW-ZDUSSCGKSA-N 2 2 321.515 3.692 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000067507142 1024248736 /nfs/dbraw/zinc/24/87/36/1024248736.db2.gz QPXQSNNNXYWEPW-ZDUSSCGKSA-N 2 2 321.515 3.692 20 0 DHADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531728349 1024284794 /nfs/dbraw/zinc/28/47/94/1024284794.db2.gz SRTCQTPIIAYHLK-CHWSQXEVSA-N 2 2 300.899 3.654 20 0 DHADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531728349 1024284806 /nfs/dbraw/zinc/28/48/06/1024284806.db2.gz SRTCQTPIIAYHLK-CHWSQXEVSA-N 2 2 300.899 3.654 20 0 DHADLP CC(C)(C)c1cnc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000790468534 1024307630 /nfs/dbraw/zinc/30/76/30/1024307630.db2.gz WATVUNNBPRFJMF-ZDUSSCGKSA-N 2 2 320.506 3.842 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000121967589 1024329722 /nfs/dbraw/zinc/32/97/22/1024329722.db2.gz GUYVFORNPFQFOQ-HNNXBMFYSA-N 2 2 313.420 3.849 20 0 DHADLP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000348225815 1024333325 /nfs/dbraw/zinc/33/33/25/1024333325.db2.gz HTVRKSJKPRCWBD-SWLSCSKDSA-N 2 2 309.335 3.645 20 0 DHADLP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000348225815 1024333339 /nfs/dbraw/zinc/33/33/39/1024333339.db2.gz HTVRKSJKPRCWBD-SWLSCSKDSA-N 2 2 309.335 3.645 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883365177 1024405182 /nfs/dbraw/zinc/40/51/82/1024405182.db2.gz VSXIKKZSCDXBIH-IPELMVKDSA-N 2 2 311.429 3.625 20 0 DHADLP c1c[nH+]c(C2CC[NH+](CCCSCc3ccccc3)CC2)[nH]1 ZINC000270575987 1024405863 /nfs/dbraw/zinc/40/58/63/1024405863.db2.gz PIFFOUKTYPANQY-UHFFFAOYSA-N 2 2 315.486 3.913 20 0 DHADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1cccnc1 ZINC000270684655 1024419512 /nfs/dbraw/zinc/41/95/12/1024419512.db2.gz VXEVWCNNKWFADV-INIZCTEOSA-N 2 2 306.413 3.850 20 0 DHADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1cccnc1 ZINC000270684655 1024419517 /nfs/dbraw/zinc/41/95/17/1024419517.db2.gz VXEVWCNNKWFADV-INIZCTEOSA-N 2 2 306.413 3.850 20 0 DHADLP C[C@H](Cc1ccsc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387021 1024420690 /nfs/dbraw/zinc/42/06/90/1024420690.db2.gz QOHHQWLPMZEATF-QAPCUYQASA-N 2 2 311.454 3.907 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387420 1024421131 /nfs/dbraw/zinc/42/11/31/1024421131.db2.gz XLQSBLIKMKCEGI-LPHOPBHVSA-N 2 2 321.424 3.984 20 0 DHADLP c1cn(C[C@H]([NH2+]Cc2cccc3c2CCC3)c2ccccc2)c[nH+]1 ZINC000883397014 1024428247 /nfs/dbraw/zinc/42/82/47/1024428247.db2.gz BQDTYAUGMLTPEP-NRFANRHFSA-N 2 2 317.436 3.903 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000317428941 1024540334 /nfs/dbraw/zinc/54/03/34/1024540334.db2.gz KEETUHMPDWIEDH-IAGOWNOFSA-N 2 2 301.409 3.714 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000271591390 1024547309 /nfs/dbraw/zinc/54/73/09/1024547309.db2.gz TUGFCXRMFZSQTB-JKSUJKDBSA-N 2 2 306.413 3.988 20 0 DHADLP C[C@H](CC[N@H+](C)CCC(F)(F)F)[NH+](C)CCC(F)(F)F ZINC000431601179 1024552182 /nfs/dbraw/zinc/55/21/82/1024552182.db2.gz RXIZEGBQHNUPAI-SNVBAGLBSA-N 2 2 308.310 3.533 20 0 DHADLP C[C@H](CC[N@@H+](C)CCC(F)(F)F)[NH+](C)CCC(F)(F)F ZINC000431601179 1024552192 /nfs/dbraw/zinc/55/21/92/1024552192.db2.gz RXIZEGBQHNUPAI-SNVBAGLBSA-N 2 2 308.310 3.533 20 0 DHADLP C[C@H](CC[NH+](C)CCC(F)(F)F)[N@H+](C)CCC(F)(F)F ZINC000431601179 1024552197 /nfs/dbraw/zinc/55/21/97/1024552197.db2.gz RXIZEGBQHNUPAI-SNVBAGLBSA-N 2 2 308.310 3.533 20 0 DHADLP C[C@H](CC[NH+](C)CCC(F)(F)F)[N@@H+](C)CCC(F)(F)F ZINC000431601179 1024552202 /nfs/dbraw/zinc/55/22/02/1024552202.db2.gz RXIZEGBQHNUPAI-SNVBAGLBSA-N 2 2 308.310 3.533 20 0 DHADLP C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000585750641 1024591624 /nfs/dbraw/zinc/59/16/24/1024591624.db2.gz OLWNIBBITGYOHS-MRXNPFEDSA-N 2 2 319.408 3.828 20 0 DHADLP C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000585750641 1024591631 /nfs/dbraw/zinc/59/16/31/1024591631.db2.gz OLWNIBBITGYOHS-MRXNPFEDSA-N 2 2 319.408 3.828 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000792263900 1024657426 /nfs/dbraw/zinc/65/74/26/1024657426.db2.gz DXOHUPFXTIPANF-AWEZNQCLSA-N 2 2 309.335 3.565 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000792263900 1024657433 /nfs/dbraw/zinc/65/74/33/1024657433.db2.gz DXOHUPFXTIPANF-AWEZNQCLSA-N 2 2 309.335 3.565 20 0 DHADLP CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000166978312 1024668317 /nfs/dbraw/zinc/66/83/17/1024668317.db2.gz BVAAYWISAJOJJQ-AWEZNQCLSA-N 2 2 324.428 3.836 20 0 DHADLP c1cn(CC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)c[nH+]1 ZINC000026309260 1024677825 /nfs/dbraw/zinc/67/78/25/1024677825.db2.gz XPHAHHHKLMZRTL-UHFFFAOYSA-N 2 2 324.409 3.543 20 0 DHADLP CC[C@@H]1C[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001170207496 1024690845 /nfs/dbraw/zinc/69/08/45/1024690845.db2.gz LUILLYZELLRVIJ-VQTJNVASSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1C[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001170207496 1024690851 /nfs/dbraw/zinc/69/08/51/1024690851.db2.gz LUILLYZELLRVIJ-VQTJNVASSA-N 2 2 316.489 3.540 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)cc1C(F)(F)F ZINC000349379556 1024711776 /nfs/dbraw/zinc/71/17/76/1024711776.db2.gz BRKSXCASLRSSIJ-UHFFFAOYSA-N 2 2 306.347 3.618 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)cc1C(F)(F)F ZINC000349379556 1024711766 /nfs/dbraw/zinc/71/17/66/1024711766.db2.gz BRKSXCASLRSSIJ-UHFFFAOYSA-N 2 2 306.347 3.618 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001170261852 1024715818 /nfs/dbraw/zinc/71/58/18/1024715818.db2.gz SLAXCGSGSSEMBM-PBHICJAKSA-N 2 2 306.881 3.735 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001170261852 1024715833 /nfs/dbraw/zinc/71/58/33/1024715833.db2.gz SLAXCGSGSSEMBM-PBHICJAKSA-N 2 2 306.881 3.735 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000340353631 1024717950 /nfs/dbraw/zinc/71/79/50/1024717950.db2.gz ZTZQIUBTIYOYEB-KYNGSXCRSA-N 2 2 313.420 3.707 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000340353631 1024717959 /nfs/dbraw/zinc/71/79/59/1024717959.db2.gz ZTZQIUBTIYOYEB-KYNGSXCRSA-N 2 2 313.420 3.707 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001170247339 1024721484 /nfs/dbraw/zinc/72/14/84/1024721484.db2.gz HYRCFBPHNRBBIK-OAHLLOKOSA-N 2 2 302.849 3.732 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001170247339 1024721495 /nfs/dbraw/zinc/72/14/95/1024721495.db2.gz HYRCFBPHNRBBIK-OAHLLOKOSA-N 2 2 302.849 3.732 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCO1 ZINC000648452748 1024727861 /nfs/dbraw/zinc/72/78/61/1024727861.db2.gz QKZXGZGFIXQSLE-BPQIPLTHSA-N 2 2 304.478 3.663 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc3c(ccc(C)c3C)[nH]1)CCC2 ZINC000349609903 1024731633 /nfs/dbraw/zinc/73/16/33/1024731633.db2.gz KLTQXHGWTXZTGH-MRXNPFEDSA-N 2 2 322.456 3.957 20 0 DHADLP Clc1cnc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000349612459 1024732963 /nfs/dbraw/zinc/73/29/63/1024732963.db2.gz QTEVKFGYZHMBQV-UHFFFAOYSA-N 2 2 321.877 3.682 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001168167039 1024743137 /nfs/dbraw/zinc/74/31/37/1024743137.db2.gz KXUNHTCAAPUGNM-IFXJQAMLSA-N 2 2 314.860 3.657 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001168167039 1024743146 /nfs/dbraw/zinc/74/31/46/1024743146.db2.gz KXUNHTCAAPUGNM-IFXJQAMLSA-N 2 2 314.860 3.657 20 0 DHADLP Cc1ccc(-c2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)on2)cc1 ZINC000111244368 1024749082 /nfs/dbraw/zinc/74/90/82/1024749082.db2.gz ITIKLIKSZXGEKV-UHFFFAOYSA-N 2 2 322.412 3.684 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc2n[nH]cc2c1 ZINC000353100260 1024943307 /nfs/dbraw/zinc/94/33/07/1024943307.db2.gz LHOLWVFEYLJAMA-GFCCVEGCSA-N 2 2 323.425 3.661 20 0 DHADLP C[NH+](C)Cc1ccc(NCc2cccc3[nH+]ccn32)cc1Cl ZINC000793337073 1024994486 /nfs/dbraw/zinc/99/44/86/1024994486.db2.gz AQHDENYYHWRXSS-UHFFFAOYSA-N 2 2 314.820 3.661 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CC[N@@H+]1C ZINC000348320764 1025034888 /nfs/dbraw/zinc/03/48/88/1025034888.db2.gz HLBBQXIHGPNLBE-MWLCHTKSSA-N 2 2 322.321 3.556 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CC[N@H+]1C ZINC000348320764 1025034941 /nfs/dbraw/zinc/03/49/41/1025034941.db2.gz HLBBQXIHGPNLBE-MWLCHTKSSA-N 2 2 322.321 3.556 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccncc1F ZINC000338020219 1033259564 /nfs/dbraw/zinc/25/95/64/1033259564.db2.gz OAFUNSCODUMDSY-VYDXJSESSA-N 2 2 319.468 3.914 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C(C)C)cc1 ZINC000353562948 1025128821 /nfs/dbraw/zinc/12/88/21/1025128821.db2.gz CQWVBAZHZSVLPO-HOTGVXAUSA-N 2 2 314.477 3.560 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(C)C)cc1 ZINC000353562950 1025131426 /nfs/dbraw/zinc/13/14/26/1025131426.db2.gz CQWVBAZHZSVLPO-JKSUJKDBSA-N 2 2 314.477 3.560 20 0 DHADLP COC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000279691376 1025156757 /nfs/dbraw/zinc/15/67/57/1025156757.db2.gz IDZKVTNOAJLBHG-GOSISDBHSA-N 2 2 322.880 3.634 20 0 DHADLP Clc1ccc2[nH+]ccc(NCCCCn3cc[nH+]c3)c2c1 ZINC000041474829 1025249136 /nfs/dbraw/zinc/24/91/36/1025249136.db2.gz UBYKWKMPKUULIR-UHFFFAOYSA-N 2 2 300.793 3.977 20 0 DHADLP CC1CCC([NH2+][C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001168199901 1025251467 /nfs/dbraw/zinc/25/14/67/1025251467.db2.gz ZZHFNXWYGPEZHS-KWCHVYNWSA-N 2 2 311.267 3.617 20 0 DHADLP CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000353816846 1025258781 /nfs/dbraw/zinc/25/87/81/1025258781.db2.gz RDIRJBZZDPDEBY-ZWKOTPCHSA-N 2 2 313.445 3.508 20 0 DHADLP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000353816846 1025258787 /nfs/dbraw/zinc/25/87/87/1025258787.db2.gz RDIRJBZZDPDEBY-ZWKOTPCHSA-N 2 2 313.445 3.508 20 0 DHADLP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000353816841 1025258929 /nfs/dbraw/zinc/25/89/29/1025258929.db2.gz RDIRJBZZDPDEBY-QZTJIDSGSA-N 2 2 313.445 3.508 20 0 DHADLP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000353816841 1025258937 /nfs/dbraw/zinc/25/89/37/1025258937.db2.gz RDIRJBZZDPDEBY-QZTJIDSGSA-N 2 2 313.445 3.508 20 0 DHADLP CC1CCC([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC001168204331 1025321015 /nfs/dbraw/zinc/32/10/15/1025321015.db2.gz KYQGBDMCPXYBHM-UHFFFAOYSA-N 2 2 302.462 3.525 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC000354207262 1025381702 /nfs/dbraw/zinc/38/17/02/1025381702.db2.gz LPGOLHAEUDQLDV-RDJZCZTQSA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC000354207262 1025381713 /nfs/dbraw/zinc/38/17/13/1025381713.db2.gz LPGOLHAEUDQLDV-RDJZCZTQSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC000354207262 1025381727 /nfs/dbraw/zinc/38/17/27/1025381727.db2.gz LPGOLHAEUDQLDV-RDJZCZTQSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC000354207262 1025381738 /nfs/dbraw/zinc/38/17/38/1025381738.db2.gz LPGOLHAEUDQLDV-RDJZCZTQSA-N 2 2 313.445 3.646 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000885922863 1025406319 /nfs/dbraw/zinc/40/63/19/1025406319.db2.gz JXERDAODWQJVNH-FGTMMUONSA-N 2 2 308.510 3.721 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000885922863 1025406330 /nfs/dbraw/zinc/40/63/30/1025406330.db2.gz JXERDAODWQJVNH-FGTMMUONSA-N 2 2 308.510 3.721 20 0 DHADLP Cc1nc(-c2ccccc2)sc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001139820777 1025410672 /nfs/dbraw/zinc/41/06/72/1025410672.db2.gz JTTNGAKSGMVCOF-UHFFFAOYSA-N 2 2 315.486 3.645 20 0 DHADLP Cc1nc(-c2ccccc2)sc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001139820777 1025410681 /nfs/dbraw/zinc/41/06/81/1025410681.db2.gz JTTNGAKSGMVCOF-UHFFFAOYSA-N 2 2 315.486 3.645 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886162073 1025538150 /nfs/dbraw/zinc/53/81/50/1025538150.db2.gz FERXYZLTRWHZGB-MSOLQXFVSA-N 2 2 308.510 3.578 20 0 DHADLP CC[N@H+](C)c1ccc(Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC001212809944 1025658455 /nfs/dbraw/zinc/65/84/55/1025658455.db2.gz QRDDSYDEGPTIEB-UHFFFAOYSA-N 2 2 313.445 3.827 20 0 DHADLP CC[N@@H+](C)c1ccc(Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC001212809944 1025658463 /nfs/dbraw/zinc/65/84/63/1025658463.db2.gz QRDDSYDEGPTIEB-UHFFFAOYSA-N 2 2 313.445 3.827 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CC[N@@H+]1C ZINC000355657470 1025800940 /nfs/dbraw/zinc/80/09/40/1025800940.db2.gz ALAXDTXFSLBIHM-HUUCEWRRSA-N 2 2 300.402 3.644 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CC[N@H+]1C ZINC000355657470 1025800957 /nfs/dbraw/zinc/80/09/57/1025800957.db2.gz ALAXDTXFSLBIHM-HUUCEWRRSA-N 2 2 300.402 3.644 20 0 DHADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@@H]3C(C)(C)C)cc2)CC1 ZINC000806155871 1025813604 /nfs/dbraw/zinc/81/36/04/1025813604.db2.gz VIQUPGSDETZWNY-ZWKOTPCHSA-N 2 2 301.478 3.675 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000355701331 1025816498 /nfs/dbraw/zinc/81/64/98/1025816498.db2.gz INECIVSWMASSPA-KDOFPFPSSA-N 2 2 307.397 3.879 20 0 DHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ncc(C)o2)c1 ZINC000356300766 1026014275 /nfs/dbraw/zinc/01/42/75/1026014275.db2.gz FMCSBMQIKXHKBM-OAHLLOKOSA-N 2 2 301.434 3.676 20 0 DHADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052005262 1026092720 /nfs/dbraw/zinc/09/27/20/1026092720.db2.gz LKNIPYMIIZDRLM-MJGOQNOKSA-N 2 2 308.510 3.532 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000356887496 1026211790 /nfs/dbraw/zinc/21/17/90/1026211790.db2.gz YNWLAYZAUZVDPU-MRXNPFEDSA-N 2 2 320.440 3.740 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000513488288 1026525570 /nfs/dbraw/zinc/52/55/70/1026525570.db2.gz SDWVZFUIDXFDKA-SUMWQHHRSA-N 2 2 308.416 3.806 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000513488288 1026525572 /nfs/dbraw/zinc/52/55/72/1026525572.db2.gz SDWVZFUIDXFDKA-SUMWQHHRSA-N 2 2 308.416 3.806 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1C ZINC000513527261 1026535301 /nfs/dbraw/zinc/53/53/01/1026535301.db2.gz RNKGXZSISXOAII-GWCFXTLKSA-N 2 2 320.786 3.931 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[N@H+]1C ZINC000513527261 1026535313 /nfs/dbraw/zinc/53/53/13/1026535313.db2.gz RNKGXZSISXOAII-GWCFXTLKSA-N 2 2 320.786 3.931 20 0 DHADLP Clc1cccc(C2=CC[N@H+](CCCn3cc[nH+]c3)CC2)c1 ZINC000280299124 1026628171 /nfs/dbraw/zinc/62/81/71/1026628171.db2.gz VNOHLMSVUWSLRY-UHFFFAOYSA-N 2 2 301.821 3.716 20 0 DHADLP Clc1cccc(C2=CC[N@@H+](CCCn3cc[nH+]c3)CC2)c1 ZINC000280299124 1026628175 /nfs/dbraw/zinc/62/81/75/1026628175.db2.gz VNOHLMSVUWSLRY-UHFFFAOYSA-N 2 2 301.821 3.716 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420362727 1026809433 /nfs/dbraw/zinc/80/94/33/1026809433.db2.gz HRVUWFNOODOTHG-CZUORRHYSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420362727 1026809443 /nfs/dbraw/zinc/80/94/43/1026809443.db2.gz HRVUWFNOODOTHG-CZUORRHYSA-N 2 2 323.278 3.586 20 0 DHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000421821427 1027055876 /nfs/dbraw/zinc/05/58/76/1027055876.db2.gz RHXVDHGVWFNFEQ-LBPRGKRZSA-N 2 2 308.853 3.626 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2ncco2)CC1 ZINC000931448121 1027129049 /nfs/dbraw/zinc/12/90/49/1027129049.db2.gz YIUUZMLVOZWBFU-UHFFFAOYSA-N 2 2 322.412 3.548 20 0 DHADLP C([NH2+][C@H]1CC[C@H]1C1CC1)C1([NH+]2CCSCC2)CCCCC1 ZINC000562041966 1027197529 /nfs/dbraw/zinc/19/75/29/1027197529.db2.gz SITQPGOGOMODBD-IRXDYDNUSA-N 2 2 308.535 3.516 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)CO2 ZINC000573113030 1027263431 /nfs/dbraw/zinc/26/34/31/1027263431.db2.gz WYRPCNALAVTWTQ-RLLQIKCJSA-N 2 2 322.452 3.854 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)CO2 ZINC000573113030 1027263447 /nfs/dbraw/zinc/26/34/47/1027263447.db2.gz WYRPCNALAVTWTQ-RLLQIKCJSA-N 2 2 322.452 3.854 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CO2 ZINC000573113029 1027263686 /nfs/dbraw/zinc/26/36/86/1027263686.db2.gz WYRPCNALAVTWTQ-MISYRCLQSA-N 2 2 322.452 3.854 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)CO2 ZINC000573113029 1027263689 /nfs/dbraw/zinc/26/36/89/1027263689.db2.gz WYRPCNALAVTWTQ-MISYRCLQSA-N 2 2 322.452 3.854 20 0 DHADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422734861 1027302362 /nfs/dbraw/zinc/30/23/62/1027302362.db2.gz DFEYDINRVAWAOY-SOUVJXGZSA-N 2 2 321.534 3.841 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)c2ccccc21 ZINC000422798610 1027328462 /nfs/dbraw/zinc/32/84/62/1027328462.db2.gz RYVDRYUSASUGQH-GJZGRUSLSA-N 2 2 322.330 3.820 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)(F)F)c2ccccc21 ZINC000422798609 1027328686 /nfs/dbraw/zinc/32/86/86/1027328686.db2.gz RYVDRYUSASUGQH-CABCVRRESA-N 2 2 322.330 3.820 20 0 DHADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422791014 1027330957 /nfs/dbraw/zinc/33/09/57/1027330957.db2.gz YBJCIELIZZQDDZ-AFAVFJNCSA-N 2 2 310.844 3.880 20 0 DHADLP CC1(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000573846271 1027335690 /nfs/dbraw/zinc/33/56/90/1027335690.db2.gz ZCKPLXJHZRUTDD-UHFFFAOYSA-N 2 2 303.837 3.839 20 0 DHADLP CC1(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000573846271 1027335711 /nfs/dbraw/zinc/33/57/11/1027335711.db2.gz ZCKPLXJHZRUTDD-UHFFFAOYSA-N 2 2 303.837 3.839 20 0 DHADLP C[C@H]([NH2+]CCc1nc(C2CCCCC2)cs1)[C@@H]1CCCC[NH2+]1 ZINC000422906659 1027358126 /nfs/dbraw/zinc/35/81/26/1027358126.db2.gz ABEIPJGARLISRW-HOCLYGCPSA-N 2 2 321.534 3.854 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423005098 1027390479 /nfs/dbraw/zinc/39/04/79/1027390479.db2.gz QRCMMLGLKRCTGG-SJORKVTESA-N 2 2 316.832 3.973 20 0 DHADLP C[C@H]([NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1)C1C[NH2+]C1 ZINC000423071173 1027406481 /nfs/dbraw/zinc/40/64/81/1027406481.db2.gz HICMSERSZMBCOK-VIFPVBQESA-N 2 2 318.770 3.545 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Oc2cccnc2)cc1 ZINC000423118592 1027418114 /nfs/dbraw/zinc/41/81/14/1027418114.db2.gz BLFNJFBKINSUCL-YZVOILCLSA-N 2 2 311.429 3.665 20 0 DHADLP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423123082 1027421033 /nfs/dbraw/zinc/42/10/33/1027421033.db2.gz LYWNWGDLOUKSEK-KBMXLJTQSA-N 2 2 314.395 3.528 20 0 DHADLP Cc1cccc(C)c1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000812837268 1027440286 /nfs/dbraw/zinc/44/02/86/1027440286.db2.gz BNXFWXIQAJQWQE-UHFFFAOYSA-N 2 2 314.395 3.810 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1OC(F)F ZINC000423175127 1027441816 /nfs/dbraw/zinc/44/18/16/1027441816.db2.gz DCHSOBRYUSXXFR-NSHDSACASA-N 2 2 316.367 3.739 20 0 DHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423181136 1027442563 /nfs/dbraw/zinc/44/25/63/1027442563.db2.gz FRPUTVUOFDISNT-IRXDYDNUSA-N 2 2 300.471 3.682 20 0 DHADLP c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CCC3)cc1 ZINC000423182260 1027446243 /nfs/dbraw/zinc/44/62/43/1027446243.db2.gz GPJSDKGQPXQMRM-CABCVRRESA-N 2 2 313.470 3.529 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CCC2)o1 ZINC000423192240 1027452488 /nfs/dbraw/zinc/45/24/88/1027452488.db2.gz UXXKSRMFRQYKRF-IBGZPJMESA-N 2 2 313.445 3.594 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423231367 1027469394 /nfs/dbraw/zinc/46/93/94/1027469394.db2.gz ATVRGYJKBZRRIG-OTWHNJEPSA-N 2 2 304.478 3.605 20 0 DHADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(Br)c1 ZINC000423242536 1027471026 /nfs/dbraw/zinc/47/10/26/1027471026.db2.gz MDRGNRRUOAEHBF-WBMJQRKESA-N 2 2 319.246 3.800 20 0 DHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000423266733 1027471773 /nfs/dbraw/zinc/47/17/73/1027471773.db2.gz CDJVRZDARLPWSM-OAHLLOKOSA-N 2 2 317.477 3.608 20 0 DHADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423259176 1027479145 /nfs/dbraw/zinc/47/91/45/1027479145.db2.gz DDKMGABZPPNHLI-JKSUJKDBSA-N 2 2 313.445 3.898 20 0 DHADLP CSC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000423274828 1027493228 /nfs/dbraw/zinc/49/32/28/1027493228.db2.gz MPODSQXWYHDICI-KGLIPLIRSA-N 2 2 320.424 3.682 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423300462 1027505221 /nfs/dbraw/zinc/50/52/21/1027505221.db2.gz RQZNSPRTRRYLOP-ONGXEEELSA-N 2 2 317.296 3.605 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)cs2)cs1 ZINC000423373904 1027518117 /nfs/dbraw/zinc/51/81/17/1027518117.db2.gz WRNCQUFSWASOBE-COPLHBTASA-N 2 2 321.515 3.829 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)cc1Cl ZINC000575956397 1027533898 /nfs/dbraw/zinc/53/38/98/1027533898.db2.gz RVSXKVUOUYMLIH-XHDPSFHLSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)cc1Cl ZINC000575956397 1027533901 /nfs/dbraw/zinc/53/39/01/1027533901.db2.gz RVSXKVUOUYMLIH-XHDPSFHLSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000575956397 1027533904 /nfs/dbraw/zinc/53/39/04/1027533904.db2.gz RVSXKVUOUYMLIH-XHDPSFHLSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000575956397 1027533906 /nfs/dbraw/zinc/53/39/06/1027533906.db2.gz RVSXKVUOUYMLIH-XHDPSFHLSA-N 2 2 301.261 3.765 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000423378347 1027527695 /nfs/dbraw/zinc/52/76/95/1027527695.db2.gz KVRLOXQCCCHOPG-UZLBHIALSA-N 2 2 312.457 3.567 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21)[C@H](C)[NH3+] ZINC000423447912 1027544025 /nfs/dbraw/zinc/54/40/25/1027544025.db2.gz PGXDRVXVFJRXGY-SBMIAAHKSA-N 2 2 303.233 3.532 20 0 DHADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1csc(-c2ccccc2F)n1 ZINC000423561132 1027579418 /nfs/dbraw/zinc/57/94/18/1027579418.db2.gz PVCGZOVSLRLCHJ-GFCCVEGCSA-N 2 2 319.449 3.742 20 0 DHADLP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576197440 1027581573 /nfs/dbraw/zinc/58/15/73/1027581573.db2.gz DTIPMTCFHNQGDJ-NOLJZWGESA-N 2 2 315.848 3.846 20 0 DHADLP C[C@@H]1C[C@@H]1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000576522467 1027626386 /nfs/dbraw/zinc/62/63/86/1027626386.db2.gz CVYDTWFXNIKULA-GDBMZVCRSA-N 2 2 303.837 3.695 20 0 DHADLP C[C@@H]1C[C@@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000576522467 1027626396 /nfs/dbraw/zinc/62/63/96/1027626396.db2.gz CVYDTWFXNIKULA-GDBMZVCRSA-N 2 2 303.837 3.695 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000296452924 1027640491 /nfs/dbraw/zinc/64/04/91/1027640491.db2.gz MWGXYHZFXGWGIH-MRXNPFEDSA-N 2 2 320.440 3.896 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305274 1027744020 /nfs/dbraw/zinc/74/40/20/1027744020.db2.gz GJBHJVWAPSMSBM-WFASDCNBSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305274 1027744038 /nfs/dbraw/zinc/74/40/38/1027744038.db2.gz GJBHJVWAPSMSBM-WFASDCNBSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305274 1027744054 /nfs/dbraw/zinc/74/40/54/1027744054.db2.gz GJBHJVWAPSMSBM-WFASDCNBSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305274 1027744069 /nfs/dbraw/zinc/74/40/69/1027744069.db2.gz GJBHJVWAPSMSBM-WFASDCNBSA-N 2 2 313.272 3.910 20 0 DHADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000527536769 1027762719 /nfs/dbraw/zinc/76/27/19/1027762719.db2.gz ZTAGFAJNCZMKDN-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000527536769 1027762739 /nfs/dbraw/zinc/76/27/39/1027762739.db2.gz ZTAGFAJNCZMKDN-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000527536769 1027762756 /nfs/dbraw/zinc/76/27/56/1027762756.db2.gz ZTAGFAJNCZMKDN-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000527536769 1027762766 /nfs/dbraw/zinc/76/27/66/1027762766.db2.gz ZTAGFAJNCZMKDN-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000364649046 1027863178 /nfs/dbraw/zinc/86/31/78/1027863178.db2.gz SOYSEWNVJNILCA-OTWHNJEPSA-N 2 2 309.457 3.507 20 0 DHADLP Cc1ccc(CC[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000364694302 1027871675 /nfs/dbraw/zinc/87/16/75/1027871675.db2.gz GTRJSXKRHXNAKL-SFTDATJTSA-N 2 2 323.484 3.557 20 0 DHADLP Cc1ccc(CC[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000364694302 1027871712 /nfs/dbraw/zinc/87/17/12/1027871712.db2.gz GTRJSXKRHXNAKL-SFTDATJTSA-N 2 2 323.484 3.557 20 0 DHADLP Cc1ccc(CC[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000364694302 1027871726 /nfs/dbraw/zinc/87/17/26/1027871726.db2.gz GTRJSXKRHXNAKL-SFTDATJTSA-N 2 2 323.484 3.557 20 0 DHADLP Cc1ccc(CC[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000364694302 1027871738 /nfs/dbraw/zinc/87/17/38/1027871738.db2.gz GTRJSXKRHXNAKL-SFTDATJTSA-N 2 2 323.484 3.557 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)C3CCCCC3)sc2C1 ZINC000364726516 1027880030 /nfs/dbraw/zinc/88/00/30/1027880030.db2.gz YBZRMJLFZCDSLW-UHFFFAOYSA-N 2 2 307.507 3.674 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)C3CCCCC3)sc2C1 ZINC000364726516 1027880049 /nfs/dbraw/zinc/88/00/49/1027880049.db2.gz YBZRMJLFZCDSLW-UHFFFAOYSA-N 2 2 307.507 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)C3CCCCC3)sc2C1 ZINC000364726516 1027880068 /nfs/dbraw/zinc/88/00/68/1027880068.db2.gz YBZRMJLFZCDSLW-UHFFFAOYSA-N 2 2 307.507 3.674 20 0 DHADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952531 1027986655 /nfs/dbraw/zinc/98/66/55/1027986655.db2.gz UGEYDMVSEQFPEG-XLIONFOSSA-N 2 2 313.489 3.930 20 0 DHADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527952531 1027986668 /nfs/dbraw/zinc/98/66/68/1027986668.db2.gz UGEYDMVSEQFPEG-XLIONFOSSA-N 2 2 313.489 3.930 20 0 DHADLP c1cncc([C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C2CCC2)c1 ZINC000527954141 1027988161 /nfs/dbraw/zinc/98/81/61/1027988161.db2.gz YPYIDBDXVLIYTK-VQTJNVASSA-N 2 2 313.489 3.919 20 0 DHADLP c1cncc([C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C2CCC2)c1 ZINC000527954141 1027988186 /nfs/dbraw/zinc/98/81/86/1027988186.db2.gz YPYIDBDXVLIYTK-VQTJNVASSA-N 2 2 313.489 3.919 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000528007823 1028033986 /nfs/dbraw/zinc/03/39/86/1028033986.db2.gz CPEYFPLJSBQSTA-OXJNMPFZSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000528007823 1028034002 /nfs/dbraw/zinc/03/40/02/1028034002.db2.gz CPEYFPLJSBQSTA-OXJNMPFZSA-N 2 2 324.472 3.540 20 0 DHADLP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1F ZINC000528014964 1028043940 /nfs/dbraw/zinc/04/39/40/1028043940.db2.gz WDYZQRLORCVQCR-XJKSGUPXSA-N 2 2 306.425 3.502 20 0 DHADLP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1F ZINC000528014964 1028043954 /nfs/dbraw/zinc/04/39/54/1028043954.db2.gz WDYZQRLORCVQCR-XJKSGUPXSA-N 2 2 306.425 3.502 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3sccc31)CCC2 ZINC000366210319 1028060163 /nfs/dbraw/zinc/06/01/63/1028060163.db2.gz OLIXZRGGQFIPNB-DZGCQCFKSA-N 2 2 301.459 3.798 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000366229958 1028068121 /nfs/dbraw/zinc/06/81/21/1028068121.db2.gz JZVWCCWWSVIDGA-WBVHZDCISA-N 2 2 313.445 3.818 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934698605 1028077922 /nfs/dbraw/zinc/07/79/22/1028077922.db2.gz NUPRNSNEHZYKMV-HXUWFJFHSA-N 2 2 318.424 3.817 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000779059088 1028102354 /nfs/dbraw/zinc/10/23/54/1028102354.db2.gz CLOWYHMAYRPEDQ-BDJLRTHQSA-N 2 2 313.272 3.608 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000779059088 1028102358 /nfs/dbraw/zinc/10/23/58/1028102358.db2.gz CLOWYHMAYRPEDQ-BDJLRTHQSA-N 2 2 313.272 3.608 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1nc(-c2ccccc2)cs1 ZINC000578404721 1028143560 /nfs/dbraw/zinc/14/35/60/1028143560.db2.gz BGVQAHWQKDGQER-OCCSQVGLSA-N 2 2 324.453 3.741 20 0 DHADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)cc1 ZINC000368098241 1028297361 /nfs/dbraw/zinc/29/73/61/1028297361.db2.gz BDNPHHUUTDAWMV-APWZRJJASA-N 2 2 313.420 3.927 20 0 DHADLP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000449059108 1028298364 /nfs/dbraw/zinc/29/83/64/1028298364.db2.gz AFTLPECODKDPRN-RDJZCZTQSA-N 2 2 303.837 3.538 20 0 DHADLP Cc1cccc(CC[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000449070926 1028334239 /nfs/dbraw/zinc/33/42/39/1028334239.db2.gz GAEQCDJPMASCJV-UHFFFAOYSA-N 2 2 305.425 3.572 20 0 DHADLP c1c(CC[NH2+][C@@H]2CCCC23CCCCC3)[nH+]c2n1CCCC2 ZINC000449073559 1028338879 /nfs/dbraw/zinc/33/88/79/1028338879.db2.gz JIARCZFOISIXJD-QGZVFWFLSA-N 2 2 301.478 3.855 20 0 DHADLP Cc1ccc2sc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)nc2c1 ZINC000528406671 1028399122 /nfs/dbraw/zinc/39/91/22/1028399122.db2.gz PJHIKXMFGLNXKM-GDBMZVCRSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1ccc2sc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)nc2c1 ZINC000528406671 1028399140 /nfs/dbraw/zinc/39/91/40/1028399140.db2.gz PJHIKXMFGLNXKM-GDBMZVCRSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1ccc2sc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)nc2c1 ZINC000528406671 1028399158 /nfs/dbraw/zinc/39/91/58/1028399158.db2.gz PJHIKXMFGLNXKM-GDBMZVCRSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1ccc2sc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)nc2c1 ZINC000528406671 1028399175 /nfs/dbraw/zinc/39/91/75/1028399175.db2.gz PJHIKXMFGLNXKM-GDBMZVCRSA-N 2 2 315.486 3.521 20 0 DHADLP CCC[C@H]([NH2+]C[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccsc1 ZINC000369112232 1028444929 /nfs/dbraw/zinc/44/49/29/1028444929.db2.gz KQVMDHFBJTWQAL-NJAFHUGGSA-N 2 2 322.518 3.680 20 0 DHADLP C[N@H+](CCSC(C)(C)C)C1CCN(c2cccc[nH+]2)CC1 ZINC000369224901 1028462950 /nfs/dbraw/zinc/46/29/50/1028462950.db2.gz MXUMBGKGPPDKHD-UHFFFAOYSA-N 2 2 307.507 3.514 20 0 DHADLP C[N@@H+](CCSC(C)(C)C)C1CCN(c2cccc[nH+]2)CC1 ZINC000369224901 1028462956 /nfs/dbraw/zinc/46/29/56/1028462956.db2.gz MXUMBGKGPPDKHD-UHFFFAOYSA-N 2 2 307.507 3.514 20 0 DHADLP Cc1cccc(CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000449305916 1028528284 /nfs/dbraw/zinc/52/82/84/1028528284.db2.gz ILTDQJOBLBZZTR-LJQANCHMSA-N 2 2 323.484 3.950 20 0 DHADLP Cc1cccc(CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000449305916 1028528294 /nfs/dbraw/zinc/52/82/94/1028528294.db2.gz ILTDQJOBLBZZTR-LJQANCHMSA-N 2 2 323.484 3.950 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC000369808702 1028533689 /nfs/dbraw/zinc/53/36/89/1028533689.db2.gz MWZYKBXBVIHPAD-HNNXBMFYSA-N 2 2 318.852 3.720 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC000369808702 1028533699 /nfs/dbraw/zinc/53/36/99/1028533699.db2.gz MWZYKBXBVIHPAD-HNNXBMFYSA-N 2 2 318.852 3.720 20 0 DHADLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)cc2ccccc21 ZINC000449325117 1028533870 /nfs/dbraw/zinc/53/38/70/1028533870.db2.gz KBTJBLHCWMMNTM-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc2ccccc21 ZINC000449325117 1028533881 /nfs/dbraw/zinc/53/38/81/1028533881.db2.gz KBTJBLHCWMMNTM-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000449327814 1028539556 /nfs/dbraw/zinc/53/95/56/1028539556.db2.gz CTDSOGIGERNIKX-QUCCMNQESA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000449327814 1028539562 /nfs/dbraw/zinc/53/95/62/1028539562.db2.gz CTDSOGIGERNIKX-QUCCMNQESA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000449327814 1028539571 /nfs/dbraw/zinc/53/95/71/1028539571.db2.gz CTDSOGIGERNIKX-QUCCMNQESA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000449327814 1028539576 /nfs/dbraw/zinc/53/95/76/1028539576.db2.gz CTDSOGIGERNIKX-QUCCMNQESA-N 2 2 324.468 3.765 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2C)cn1 ZINC000815561618 1028544132 /nfs/dbraw/zinc/54/41/32/1028544132.db2.gz KSCZPFRLYCYFRX-AWEZNQCLSA-N 2 2 324.403 3.874 20 0 DHADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000565683911 1028620268 /nfs/dbraw/zinc/62/02/68/1028620268.db2.gz NTSIOUUUBJZORT-HRAATJIYSA-N 2 2 322.452 3.763 20 0 DHADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000565683914 1028620878 /nfs/dbraw/zinc/62/08/78/1028620878.db2.gz NTSIOUUUBJZORT-KKSFZXQISA-N 2 2 322.452 3.763 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cs1 ZINC000370910050 1028650545 /nfs/dbraw/zinc/65/05/45/1028650545.db2.gz YUFNIFHVLRUZAC-DETPVDSQSA-N 2 2 321.515 3.857 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cs1 ZINC000370910050 1028650553 /nfs/dbraw/zinc/65/05/53/1028650553.db2.gz YUFNIFHVLRUZAC-DETPVDSQSA-N 2 2 321.515 3.857 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(C)(C)C ZINC000779197545 1028689195 /nfs/dbraw/zinc/68/91/95/1028689195.db2.gz CZLLGIRGSXHBTK-ZDUSSCGKSA-N 2 2 311.539 3.897 20 0 DHADLP Cc1ncc(C[N@@H+](C)C2CC[NH+](C3CCC(C)CC3)CC2)s1 ZINC000371496509 1028721042 /nfs/dbraw/zinc/72/10/42/1028721042.db2.gz AEKBFSJECSUITQ-UHFFFAOYSA-N 2 2 321.534 3.926 20 0 DHADLP Cc1ncc(C[N@H+](C)C2CC[NH+](C3CCC(C)CC3)CC2)s1 ZINC000371496509 1028721053 /nfs/dbraw/zinc/72/10/53/1028721053.db2.gz AEKBFSJECSUITQ-UHFFFAOYSA-N 2 2 321.534 3.926 20 0 DHADLP CC[NH+]1CCC([N@H+](Cc2ccc3ccccc3n2)C2CC2)CC1 ZINC000371477967 1028722763 /nfs/dbraw/zinc/72/27/63/1028722763.db2.gz RHQOSVSCGFTMLE-UHFFFAOYSA-N 2 2 309.457 3.684 20 0 DHADLP CC[NH+]1CCC([N@@H+](Cc2ccc3ccccc3n2)C2CC2)CC1 ZINC000371477967 1028722777 /nfs/dbraw/zinc/72/27/77/1028722777.db2.gz RHQOSVSCGFTMLE-UHFFFAOYSA-N 2 2 309.457 3.684 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC(C(F)(F)F)CC1 ZINC000567432291 1028892482 /nfs/dbraw/zinc/89/24/82/1028892482.db2.gz NZBDELUIFINHOM-YWPUVAFDSA-N 2 2 315.383 3.614 20 0 DHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628241404 1028958136 /nfs/dbraw/zinc/95/81/36/1028958136.db2.gz UYARJCTZQSZZDV-KBXCAEBGSA-N 2 2 322.443 3.920 20 0 DHADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628241404 1028958146 /nfs/dbraw/zinc/95/81/46/1028958146.db2.gz UYARJCTZQSZZDV-KBXCAEBGSA-N 2 2 322.443 3.920 20 0 DHADLP CCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000373185669 1028968879 /nfs/dbraw/zinc/96/88/79/1028968879.db2.gz KQMQSMCJJQLOOX-GRDNDAEWSA-N 2 2 309.523 3.688 20 0 DHADLP CCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000373185669 1028968891 /nfs/dbraw/zinc/96/88/91/1028968891.db2.gz KQMQSMCJJQLOOX-GRDNDAEWSA-N 2 2 309.523 3.688 20 0 DHADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000373186130 1028969955 /nfs/dbraw/zinc/96/99/55/1028969955.db2.gz NFDQGOLSBPZSJV-OGWHTMIXSA-N 2 2 320.525 3.607 20 0 DHADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000373186130 1028969965 /nfs/dbraw/zinc/96/99/65/1028969965.db2.gz NFDQGOLSBPZSJV-OGWHTMIXSA-N 2 2 320.525 3.607 20 0 DHADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000374060431 1029196276 /nfs/dbraw/zinc/19/62/76/1029196276.db2.gz BGZHEFSAFWXLJY-SCTDSRPQSA-N 2 2 303.494 3.564 20 0 DHADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000374060431 1029196287 /nfs/dbraw/zinc/19/62/87/1029196287.db2.gz BGZHEFSAFWXLJY-SCTDSRPQSA-N 2 2 303.494 3.564 20 0 DHADLP COc1ccccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000374268843 1029265634 /nfs/dbraw/zinc/26/56/34/1029265634.db2.gz HRBRVRVZSLTRDZ-QGZVFWFLSA-N 2 2 313.445 3.852 20 0 DHADLP COc1ccccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000374268843 1029265646 /nfs/dbraw/zinc/26/56/46/1029265646.db2.gz HRBRVRVZSLTRDZ-QGZVFWFLSA-N 2 2 313.445 3.852 20 0 DHADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)CCC2 ZINC000817923261 1029277396 /nfs/dbraw/zinc/27/73/96/1029277396.db2.gz VKILAAZDKIUIMM-BPQIPLTHSA-N 2 2 318.509 3.742 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000817953568 1029293264 /nfs/dbraw/zinc/29/32/64/1029293264.db2.gz OLSGRZWKCLPLDU-OAHLLOKOSA-N 2 2 312.429 3.720 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(s1)CCCC2 ZINC000570090543 1029314810 /nfs/dbraw/zinc/31/48/10/1029314810.db2.gz NCPLLGUTUXPCPQ-AAEUAGOBSA-N 2 2 301.459 3.558 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000374369048 1029319355 /nfs/dbraw/zinc/31/93/55/1029319355.db2.gz XQGDBFPRTLFYBF-GFCCVEGCSA-N 2 2 312.804 3.616 20 0 DHADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cnn1C(C)C ZINC000191218799 1029323271 /nfs/dbraw/zinc/32/32/71/1029323271.db2.gz IFLOWTBEDPGISU-OAHLLOKOSA-N 2 2 323.444 3.809 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000629539356 1029360990 /nfs/dbraw/zinc/36/09/90/1029360990.db2.gz OGVWZAGKGYHDDS-MBNYWOFBSA-N 2 2 314.445 3.835 20 0 DHADLP CC[N@H+](C)CC[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000571001500 1029442570 /nfs/dbraw/zinc/44/25/70/1029442570.db2.gz SBSSKHGOFDDTPR-JLHYYAGUSA-N 2 2 300.368 3.650 20 0 DHADLP CC[N@@H+](C)CC[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000571001500 1029442577 /nfs/dbraw/zinc/44/25/77/1029442577.db2.gz SBSSKHGOFDDTPR-JLHYYAGUSA-N 2 2 300.368 3.650 20 0 DHADLP Clc1cccc2c1C[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001170918222 1029454279 /nfs/dbraw/zinc/45/42/79/1029454279.db2.gz URRKWVWXWOYCGY-HNNXBMFYSA-N 2 2 311.816 3.635 20 0 DHADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000450425325 1029457411 /nfs/dbraw/zinc/45/74/11/1029457411.db2.gz NBFWYDYZEHIVTQ-INIZCTEOSA-N 2 2 322.880 3.799 20 0 DHADLP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000450425325 1029457417 /nfs/dbraw/zinc/45/74/17/1029457417.db2.gz NBFWYDYZEHIVTQ-INIZCTEOSA-N 2 2 322.880 3.799 20 0 DHADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529639517 1029473277 /nfs/dbraw/zinc/47/32/77/1029473277.db2.gz GNAPXJPKCWVBMY-QFBILLFUSA-N 2 2 316.489 3.710 20 0 DHADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529639517 1029473280 /nfs/dbraw/zinc/47/32/80/1029473280.db2.gz GNAPXJPKCWVBMY-QFBILLFUSA-N 2 2 316.489 3.710 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000450466815 1029495139 /nfs/dbraw/zinc/49/51/39/1029495139.db2.gz JUSGLONDUMQILL-MAUKXSAKSA-N 2 2 320.452 3.593 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000450466815 1029495153 /nfs/dbraw/zinc/49/51/53/1029495153.db2.gz JUSGLONDUMQILL-MAUKXSAKSA-N 2 2 320.452 3.593 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000450466815 1029495156 /nfs/dbraw/zinc/49/51/56/1029495156.db2.gz JUSGLONDUMQILL-MAUKXSAKSA-N 2 2 320.452 3.593 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000450466815 1029495159 /nfs/dbraw/zinc/49/51/59/1029495159.db2.gz JUSGLONDUMQILL-MAUKXSAKSA-N 2 2 320.452 3.593 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215936 1029785891 /nfs/dbraw/zinc/78/58/91/1029785891.db2.gz KLYDSJASSQOYGX-ZWKOTPCHSA-N 2 2 309.457 3.728 20 0 DHADLP CC1(C)[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)[C@@H]2CCCC[C@@H]21 ZINC000121895809 1029870368 /nfs/dbraw/zinc/87/03/68/1029870368.db2.gz LNIBRXCXJIRRIZ-SOLBZPMBSA-N 2 2 301.478 3.566 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2cccc3[nH]ccc32)CC1 ZINC000290523389 1030089650 /nfs/dbraw/zinc/08/96/50/1030089650.db2.gz QENINTNHIVGDRV-UHFFFAOYSA-N 2 2 323.440 3.857 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2cccc3[nH]ccc32)CC1 ZINC000290523389 1030089665 /nfs/dbraw/zinc/08/96/65/1030089665.db2.gz QENINTNHIVGDRV-UHFFFAOYSA-N 2 2 323.440 3.857 20 0 DHADLP CC(C)c1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000924551250 1030122170 /nfs/dbraw/zinc/12/21/70/1030122170.db2.gz IAAFXXFXYRLVIU-HXUWFJFHSA-N 2 2 320.440 3.781 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643648 1030137142 /nfs/dbraw/zinc/13/71/42/1030137142.db2.gz YPMKXUQWGMWQOV-SMDDNHRTSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643648 1030137150 /nfs/dbraw/zinc/13/71/50/1030137150.db2.gz YPMKXUQWGMWQOV-SMDDNHRTSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643648 1030137156 /nfs/dbraw/zinc/13/71/56/1030137156.db2.gz YPMKXUQWGMWQOV-SMDDNHRTSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643648 1030137170 /nfs/dbraw/zinc/13/71/70/1030137170.db2.gz YPMKXUQWGMWQOV-SMDDNHRTSA-N 2 2 318.433 3.507 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc2ccccc21 ZINC000924649048 1030149040 /nfs/dbraw/zinc/14/90/40/1030149040.db2.gz NZWPJZFDBCCAKF-LSDHHAIUSA-N 2 2 309.413 3.784 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc2ccccc21 ZINC000924649044 1030149985 /nfs/dbraw/zinc/14/99/85/1030149985.db2.gz NZWPJZFDBCCAKF-CABCVRRESA-N 2 2 309.413 3.784 20 0 DHADLP CCSc1ccccc1C[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000924647073 1030150203 /nfs/dbraw/zinc/15/02/03/1030150203.db2.gz CPNDOYNHNINPHO-HUUCEWRRSA-N 2 2 303.475 3.604 20 0 DHADLP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000866238128 1030173179 /nfs/dbraw/zinc/17/31/79/1030173179.db2.gz MHMKGDYGSDFTDT-KSSFIOAISA-N 2 2 301.409 3.716 20 0 DHADLP C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000866241756 1030175167 /nfs/dbraw/zinc/17/51/67/1030175167.db2.gz GLBRUDMSMDPUGV-OAHLLOKOSA-N 2 2 324.403 3.517 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000924846049 1030203904 /nfs/dbraw/zinc/20/39/04/1030203904.db2.gz KCLBXNODCCALJF-INIZCTEOSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccccc1 ZINC000925057070 1030259871 /nfs/dbraw/zinc/25/98/71/1030259871.db2.gz AWYXLNHCZQNZAH-NVOXVDHGSA-N 2 2 316.489 3.663 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccccc1 ZINC000925057068 1030260601 /nfs/dbraw/zinc/26/06/01/1030260601.db2.gz AWYXLNHCZQNZAH-MKKMNNAKSA-N 2 2 316.489 3.663 20 0 DHADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000246063329 1030274933 /nfs/dbraw/zinc/27/49/33/1030274933.db2.gz ZIYLITXWZFBJHQ-QWFCFKBJSA-N 2 2 309.457 3.633 20 0 DHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1cccc(-n2cc[nH+]c2)c1 ZINC000925182461 1030295141 /nfs/dbraw/zinc/29/51/41/1030295141.db2.gz GAKSHYUYOZLHAR-ZVRJUHEZSA-N 2 2 313.470 3.950 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c2cccnc2)cc1 ZINC000925222909 1030311523 /nfs/dbraw/zinc/31/15/23/1030311523.db2.gz UMPREYRZYFNUIA-HKBOAZHASA-N 2 2 323.484 3.942 20 0 DHADLP CC1(C)C[C@@H]([NH2+][C@H](c2nccs2)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925530353 1030386570 /nfs/dbraw/zinc/38/65/70/1030386570.db2.gz DRRXYVZBLNFKMK-PMPSAXMXSA-N 2 2 315.486 3.728 20 0 DHADLP [NH3+]CCC[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccccc1 ZINC000925574869 1030408760 /nfs/dbraw/zinc/40/87/60/1030408760.db2.gz CMIJOPYUZTXYTN-LJQANCHMSA-N 2 2 324.472 3.964 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925594165 1030414654 /nfs/dbraw/zinc/41/46/54/1030414654.db2.gz PBOVWQLWNMXCDN-YNVMFWSZSA-N 2 2 311.473 3.551 20 0 DHADLP CC(C)([NH3+])CC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000925739735 1030474297 /nfs/dbraw/zinc/47/42/97/1030474297.db2.gz DSBUCSGOTRKSFE-SFHVURJKSA-N 2 2 309.413 3.634 20 0 DHADLP C[C@H]1CC[C@@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2sccc21 ZINC000925750660 1030479777 /nfs/dbraw/zinc/47/97/77/1030479777.db2.gz UGVSHZQDJFGDSM-GXFFZTMASA-N 2 2 319.499 3.660 20 0 DHADLP C[C@H]1CC[C@@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2sccc21 ZINC000925750660 1030479780 /nfs/dbraw/zinc/47/97/80/1030479780.db2.gz UGVSHZQDJFGDSM-GXFFZTMASA-N 2 2 319.499 3.660 20 0 DHADLP C[C@@H]1CC[C@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925752430 1030480424 /nfs/dbraw/zinc/48/04/24/1030480424.db2.gz VDZGREYJIKNCQV-WBMJQRKESA-N 2 2 313.470 3.599 20 0 DHADLP C[C@@H]1CC[C@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925752430 1030480431 /nfs/dbraw/zinc/48/04/31/1030480431.db2.gz VDZGREYJIKNCQV-WBMJQRKESA-N 2 2 313.470 3.599 20 0 DHADLP Clc1cccc2c1CC[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001171049482 1030483939 /nfs/dbraw/zinc/48/39/39/1030483939.db2.gz JPPIMFFMCIIDBW-INIZCTEOSA-N 2 2 315.848 3.731 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(-c2ccccc2)o1 ZINC000925785642 1030498217 /nfs/dbraw/zinc/49/82/17/1030498217.db2.gz VCGRQZDMBSSEIW-ZFWWWQNUSA-N 2 2 320.383 3.842 20 0 DHADLP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925795794 1030500591 /nfs/dbraw/zinc/50/05/91/1030500591.db2.gz QFUIWXXFBIWWRE-APWZRJJASA-N 2 2 316.489 3.619 20 0 DHADLP C[C@H](C[NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000558405610 1030563439 /nfs/dbraw/zinc/56/34/39/1030563439.db2.gz WHELONJDDQHTLE-OLZOCXBDSA-N 2 2 314.395 3.881 20 0 DHADLP C[C@H](C[NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000558405610 1030563448 /nfs/dbraw/zinc/56/34/48/1030563448.db2.gz WHELONJDDQHTLE-OLZOCXBDSA-N 2 2 314.395 3.881 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1nccs1 ZINC000246505795 1030627618 /nfs/dbraw/zinc/62/76/18/1030627618.db2.gz SWZPNJCBEYPGPE-GZBFAFLISA-N 2 2 321.515 3.938 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1nccs1 ZINC000246505795 1030627633 /nfs/dbraw/zinc/62/76/33/1030627633.db2.gz SWZPNJCBEYPGPE-GZBFAFLISA-N 2 2 321.515 3.938 20 0 DHADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CCO2)cc1 ZINC000926180142 1030643295 /nfs/dbraw/zinc/64/32/95/1030643295.db2.gz ILSXLRDWYFTKNJ-WCIQWLHISA-N 2 2 314.473 3.513 20 0 DHADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CCO2)cc1 ZINC000926180142 1030643300 /nfs/dbraw/zinc/64/33/00/1030643300.db2.gz ILSXLRDWYFTKNJ-WCIQWLHISA-N 2 2 314.473 3.513 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc2ccccc21 ZINC000926230802 1030666727 /nfs/dbraw/zinc/66/67/27/1030666727.db2.gz XYRVPTVFRWWIDQ-RHSMWYFYSA-N 2 2 321.424 3.711 20 0 DHADLP CC[N@H+](CC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1)C1CC1 ZINC000247139183 1030680774 /nfs/dbraw/zinc/68/07/74/1030680774.db2.gz WCXRSHCIIJOCBH-UONOGXRCSA-N 2 2 317.502 3.862 20 0 DHADLP CC[N@@H+](CC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1)C1CC1 ZINC000247139183 1030680781 /nfs/dbraw/zinc/68/07/81/1030680781.db2.gz WCXRSHCIIJOCBH-UONOGXRCSA-N 2 2 317.502 3.862 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247972051 1030715158 /nfs/dbraw/zinc/71/51/58/1030715158.db2.gz JSNYTHZAGFODIV-LVCYWYKZSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247972051 1030715171 /nfs/dbraw/zinc/71/51/71/1030715171.db2.gz JSNYTHZAGFODIV-LVCYWYKZSA-N 2 2 323.484 3.951 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000247972996 1030716198 /nfs/dbraw/zinc/71/61/98/1030716198.db2.gz JXGOBQBPMJHZKC-YLJYHZDGSA-N 2 2 313.489 3.772 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000247972996 1030716204 /nfs/dbraw/zinc/71/62/04/1030716204.db2.gz JXGOBQBPMJHZKC-YLJYHZDGSA-N 2 2 313.489 3.772 20 0 DHADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248839259 1030769657 /nfs/dbraw/zinc/76/96/57/1030769657.db2.gz FDLLAPNUTVWDRI-NBMJBFSESA-N 2 2 315.505 3.706 20 0 DHADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248839259 1030769669 /nfs/dbraw/zinc/76/96/69/1030769669.db2.gz FDLLAPNUTVWDRI-NBMJBFSESA-N 2 2 315.505 3.706 20 0 DHADLP Cc1cncc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248962168 1030781242 /nfs/dbraw/zinc/78/12/42/1030781242.db2.gz RFVHYPLXRCNBQD-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cncc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248962168 1030781257 /nfs/dbraw/zinc/78/12/57/1030781257.db2.gz RFVHYPLXRCNBQD-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cncc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248962168 1030781265 /nfs/dbraw/zinc/78/12/65/1030781265.db2.gz RFVHYPLXRCNBQD-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cncc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248962168 1030781278 /nfs/dbraw/zinc/78/12/78/1030781278.db2.gz RFVHYPLXRCNBQD-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C(F)(F)F)c(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001143669850 1030892921 /nfs/dbraw/zinc/89/29/21/1030892921.db2.gz BTZWSDZAVOGPEZ-UHFFFAOYSA-N 2 2 300.368 3.540 20 0 DHADLP Cc1ccc(C(F)(F)F)c(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001143669850 1030892931 /nfs/dbraw/zinc/89/29/31/1030892931.db2.gz BTZWSDZAVOGPEZ-UHFFFAOYSA-N 2 2 300.368 3.540 20 0 DHADLP Cc1ccc(C(F)(F)F)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC001143680402 1030902960 /nfs/dbraw/zinc/90/29/60/1030902960.db2.gz ANTGPLVIKWXBTK-MRXNPFEDSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1ccc(C(F)(F)F)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC001143680402 1030902969 /nfs/dbraw/zinc/90/29/69/1030902969.db2.gz ANTGPLVIKWXBTK-MRXNPFEDSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001143680402 1030902976 /nfs/dbraw/zinc/90/29/76/1030902976.db2.gz ANTGPLVIKWXBTK-MRXNPFEDSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC001143680402 1030902981 /nfs/dbraw/zinc/90/29/81/1030902981.db2.gz ANTGPLVIKWXBTK-MRXNPFEDSA-N 2 2 312.379 3.541 20 0 DHADLP CC[C@H](C[C@@](C)(O)CC)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926863312 1030959289 /nfs/dbraw/zinc/95/92/89/1030959289.db2.gz KHHMOZBAIZTZQY-QRVBRYPASA-N 2 2 315.461 3.544 20 0 DHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000359474758 1030982448 /nfs/dbraw/zinc/98/24/48/1030982448.db2.gz QRASAPHBAFOIPY-CQSZACIVSA-N 2 2 317.383 3.551 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000359585825 1031047803 /nfs/dbraw/zinc/04/78/03/1031047803.db2.gz FZKJZLUKAFSKIR-SJLPKXTDSA-N 2 2 302.462 3.591 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000359585825 1031047811 /nfs/dbraw/zinc/04/78/11/1031047811.db2.gz FZKJZLUKAFSKIR-SJLPKXTDSA-N 2 2 302.462 3.591 20 0 DHADLP CC(C)O[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000292571129 1031078875 /nfs/dbraw/zinc/07/88/75/1031078875.db2.gz SOIWRAJCTRWGRH-LJQANCHMSA-N 2 2 313.445 3.686 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000359660125 1031081963 /nfs/dbraw/zinc/08/19/63/1031081963.db2.gz BLOUAJFEVZCUFE-CYBMUJFWSA-N 2 2 324.431 3.587 20 0 DHADLP C[C@]1(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC[NH2+]C1 ZINC000261978959 1031082949 /nfs/dbraw/zinc/08/29/49/1031082949.db2.gz IYXLBHNEZASSNB-CVEARBPZSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@]1(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC[NH2+]C1 ZINC000261978959 1031082947 /nfs/dbraw/zinc/08/29/47/1031082947.db2.gz IYXLBHNEZASSNB-CVEARBPZSA-N 2 2 323.278 3.586 20 0 DHADLP [NH3+][C@@H]1CCC[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000262037045 1031090022 /nfs/dbraw/zinc/09/00/22/1031090022.db2.gz XUWQSOFJRUXSPN-GOSISDBHSA-N 2 2 316.395 3.520 20 0 DHADLP [NH3+][C@@H]1CCC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000262037045 1031090040 /nfs/dbraw/zinc/09/00/40/1031090040.db2.gz XUWQSOFJRUXSPN-GOSISDBHSA-N 2 2 316.395 3.520 20 0 DHADLP CCc1onc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000927137653 1031111503 /nfs/dbraw/zinc/11/15/03/1031111503.db2.gz AGCPNAPWOMAAOQ-KSSFIOAISA-N 2 2 319.493 3.678 20 0 DHADLP C[C@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC000777615729 1031127806 /nfs/dbraw/zinc/12/78/06/1031127806.db2.gz VHZJHYNGIGXTSL-INIZCTEOSA-N 2 2 301.478 3.819 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)cc1 ZINC000359940583 1031205944 /nfs/dbraw/zinc/20/59/44/1031205944.db2.gz IDWLPLPACNDXDG-BBWFWOEESA-N 2 2 324.415 3.956 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)cc1 ZINC000359940583 1031205959 /nfs/dbraw/zinc/20/59/59/1031205959.db2.gz IDWLPLPACNDXDG-BBWFWOEESA-N 2 2 324.415 3.956 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000268328616 1031230077 /nfs/dbraw/zinc/23/00/77/1031230077.db2.gz AJBPHXJWBCFBTN-DNVCBOLYSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000268328616 1031230087 /nfs/dbraw/zinc/23/00/87/1031230087.db2.gz AJBPHXJWBCFBTN-DNVCBOLYSA-N 2 2 322.412 3.621 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@@H]3CC[C@@H](C)C3)sc2C1 ZINC000433036738 1031360916 /nfs/dbraw/zinc/36/09/16/1031360916.db2.gz YNQHDRCYGLWROS-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@@H]3CC[C@@H](C)C3)sc2C1 ZINC000433036738 1031360925 /nfs/dbraw/zinc/36/09/25/1031360925.db2.gz YNQHDRCYGLWROS-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@@H]3CC[C@@H](C)C3)sc2C1 ZINC000433036738 1031360934 /nfs/dbraw/zinc/36/09/34/1031360934.db2.gz YNQHDRCYGLWROS-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)oc3ccccc32)C1 ZINC000536697044 1031402783 /nfs/dbraw/zinc/40/27/83/1031402783.db2.gz AFDWCVFUKSPCLA-ZDUSSCGKSA-N 2 2 306.837 3.860 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)oc3ccccc32)C1 ZINC000536697044 1031402793 /nfs/dbraw/zinc/40/27/93/1031402793.db2.gz AFDWCVFUKSPCLA-ZDUSSCGKSA-N 2 2 306.837 3.860 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000536697044 1031402800 /nfs/dbraw/zinc/40/28/00/1031402800.db2.gz AFDWCVFUKSPCLA-ZDUSSCGKSA-N 2 2 306.837 3.860 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000536697044 1031402806 /nfs/dbraw/zinc/40/28/06/1031402806.db2.gz AFDWCVFUKSPCLA-ZDUSSCGKSA-N 2 2 306.837 3.860 20 0 DHADLP C[C@H](CC[NH2+]Cc1ccncc1Cl)[N@H+](C)Cc1ccccc1 ZINC000379643576 1031422344 /nfs/dbraw/zinc/42/23/44/1031422344.db2.gz BIGKAQZXQWDXAM-OAHLLOKOSA-N 2 2 317.864 3.735 20 0 DHADLP C[C@H](CC[NH2+]Cc1ccncc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000379643576 1031422350 /nfs/dbraw/zinc/42/23/50/1031422350.db2.gz BIGKAQZXQWDXAM-OAHLLOKOSA-N 2 2 317.864 3.735 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000379656512 1031433401 /nfs/dbraw/zinc/43/34/01/1031433401.db2.gz PIYUJPJAOJOSGO-AEFFLSMTSA-N 2 2 312.457 3.985 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000379656512 1031433406 /nfs/dbraw/zinc/43/34/06/1031433406.db2.gz PIYUJPJAOJOSGO-AEFFLSMTSA-N 2 2 312.457 3.985 20 0 DHADLP Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000360588123 1031482925 /nfs/dbraw/zinc/48/29/25/1031482925.db2.gz HGCBXGNJODHELE-GOSISDBHSA-N 2 2 307.372 3.789 20 0 DHADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000536999920 1031485882 /nfs/dbraw/zinc/48/58/82/1031485882.db2.gz GIDSKPYSDRWPQW-PKOBYXMFSA-N 2 2 302.462 3.610 20 0 DHADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000536999920 1031485891 /nfs/dbraw/zinc/48/58/91/1031485891.db2.gz GIDSKPYSDRWPQW-PKOBYXMFSA-N 2 2 302.462 3.610 20 0 DHADLP COCC(C)(C)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000872105140 1031496013 /nfs/dbraw/zinc/49/60/13/1031496013.db2.gz AWMOAKNQNTZXCU-OAHLLOKOSA-N 2 2 301.434 3.586 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000872107462 1031498149 /nfs/dbraw/zinc/49/81/49/1031498149.db2.gz MRZLKPPKEJMOOP-QWFCFKBJSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000872107462 1031498158 /nfs/dbraw/zinc/49/81/58/1031498158.db2.gz MRZLKPPKEJMOOP-QWFCFKBJSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000872107463 1031498861 /nfs/dbraw/zinc/49/88/61/1031498861.db2.gz MRZLKPPKEJMOOP-WSTZPKSXSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000872107463 1031498865 /nfs/dbraw/zinc/49/88/65/1031498865.db2.gz MRZLKPPKEJMOOP-WSTZPKSXSA-N 2 2 313.489 3.628 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](CNc1c(C)c[nH+]c3c(C)cccc13)CCC2 ZINC000360664776 1031512876 /nfs/dbraw/zinc/51/28/76/1031512876.db2.gz IBZUDRWSFWDYGI-MRXNPFEDSA-N 2 2 320.440 3.768 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]2[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000777843495 1031637673 /nfs/dbraw/zinc/63/76/73/1031637673.db2.gz TZMJTMCWYPIZFT-CZUORRHYSA-N 2 2 301.821 3.930 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]2[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000777843495 1031637679 /nfs/dbraw/zinc/63/76/79/1031637679.db2.gz TZMJTMCWYPIZFT-CZUORRHYSA-N 2 2 301.821 3.930 20 0 DHADLP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000361008833 1031672370 /nfs/dbraw/zinc/67/23/70/1031672370.db2.gz HLHGPWFBLATFIQ-FQEVSTJZSA-N 2 2 319.408 3.745 20 0 DHADLP Cc1nc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000361104099 1031728042 /nfs/dbraw/zinc/72/80/42/1031728042.db2.gz DKRDCKAQWHZAQA-AWEZNQCLSA-N 2 2 315.486 3.898 20 0 DHADLP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000361236355 1031801723 /nfs/dbraw/zinc/80/17/23/1031801723.db2.gz DUNAVWYUBVUPHN-MSOLQXFVSA-N 2 2 313.445 3.554 20 0 DHADLP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000361236359 1031803062 /nfs/dbraw/zinc/80/30/62/1031803062.db2.gz DUNAVWYUBVUPHN-ZWKOTPCHSA-N 2 2 313.445 3.554 20 0 DHADLP CCCOc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897984799 1031909598 /nfs/dbraw/zinc/90/95/98/1031909598.db2.gz HDWNYPMYRHSKHM-UHFFFAOYSA-N 2 2 302.462 3.582 20 0 DHADLP FC(F)(F)c1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897984779 1031909672 /nfs/dbraw/zinc/90/96/72/1031909672.db2.gz GPGBEXUKVZNMDZ-UHFFFAOYSA-N 2 2 312.379 3.812 20 0 DHADLP CC1(C)Cc2cc(C[NH+]3CCC([NH2+]C4CCC4)CC3)ccc2O1 ZINC000897980978 1031910499 /nfs/dbraw/zinc/91/04/99/1031910499.db2.gz HAVLWAHPJCHZFJ-UHFFFAOYSA-N 2 2 314.473 3.507 20 0 DHADLP c1cc(OCC2CC2)ccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897982475 1031911479 /nfs/dbraw/zinc/91/14/79/1031911479.db2.gz LJBBOBIFOPAICN-UHFFFAOYSA-N 2 2 314.473 3.582 20 0 DHADLP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361487931 1031951367 /nfs/dbraw/zinc/95/13/67/1031951367.db2.gz WYIAHOWLOUZFKP-FQEVSTJZSA-N 2 2 303.409 3.958 20 0 DHADLP COc1cccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000361491891 1031952965 /nfs/dbraw/zinc/95/29/65/1031952965.db2.gz BGIQFMXUIWZCCO-OAHLLOKOSA-N 2 2 307.397 3.732 20 0 DHADLP Cc1nc2c(s1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000361495983 1031956971 /nfs/dbraw/zinc/95/69/71/1031956971.db2.gz ICOLVDZVCUWVHZ-MRXNPFEDSA-N 2 2 324.453 3.804 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1c3cc(F)ccc3C[C@@H]1C)CCC2 ZINC000361665606 1032044848 /nfs/dbraw/zinc/04/48/48/1032044848.db2.gz YHQKKZSTQTWKJD-QITLCBANSA-N 2 2 313.420 3.731 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCc1ccccc1 ZINC000361688440 1032053952 /nfs/dbraw/zinc/05/39/52/1032053952.db2.gz AMNSMOARHYODOA-UHFFFAOYSA-N 2 2 305.425 3.855 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCc1ccccc1 ZINC000361688440 1032053967 /nfs/dbraw/zinc/05/39/67/1032053967.db2.gz AMNSMOARHYODOA-UHFFFAOYSA-N 2 2 305.425 3.855 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172724602 1033330804 /nfs/dbraw/zinc/33/08/04/1033330804.db2.gz OCLLNDJLNHCPIV-GOSISDBHSA-N 2 2 318.892 3.758 20 0 DHADLP CC[N@H+](Cc1nc(Cl)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000877525234 1033336340 /nfs/dbraw/zinc/33/63/40/1033336340.db2.gz WDGWPHWKYRDJOC-UHFFFAOYSA-N 2 2 323.893 3.880 20 0 DHADLP CC[N@@H+](Cc1nc(Cl)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000877525234 1033336354 /nfs/dbraw/zinc/33/63/54/1033336354.db2.gz WDGWPHWKYRDJOC-UHFFFAOYSA-N 2 2 323.893 3.880 20 0 DHADLP c1ccc(CC2CCC([NH2+]CCOc3cc[nH+]cc3)CC2)cc1 ZINC001172820916 1033382735 /nfs/dbraw/zinc/38/27/35/1033382735.db2.gz FJKMLQSZIDGUBU-UHFFFAOYSA-N 2 2 310.441 3.852 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(OC(F)(F)F)c1 ZINC000151158782 1033424762 /nfs/dbraw/zinc/42/47/62/1033424762.db2.gz CYRKPGFNQPJUIQ-LBPRGKRZSA-N 2 2 313.323 3.523 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172871070 1033443889 /nfs/dbraw/zinc/44/38/89/1033443889.db2.gz NQROFGGEGZSMHV-ZDUSSCGKSA-N 2 2 310.844 3.580 20 0 DHADLP CO[C@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)C1 ZINC001172919756 1033467759 /nfs/dbraw/zinc/46/77/59/1033467759.db2.gz XDMNFMGVZNIUGO-UWHLTILDSA-N 2 2 324.468 3.975 20 0 DHADLP CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000152263336 1033510145 /nfs/dbraw/zinc/51/01/45/1033510145.db2.gz LTORNPVAJUJTFW-HNNXBMFYSA-N 2 2 309.417 3.501 20 0 DHADLP CC(C)c1cccc(Nc2cccc(N3CC[NH+](C)CC3)c2)[nH+]1 ZINC001212710580 1033570092 /nfs/dbraw/zinc/57/00/92/1033570092.db2.gz JUTBXWLQXXYVGJ-UHFFFAOYSA-N 2 2 310.445 3.700 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cncs2)cc1F ZINC000153706429 1033591638 /nfs/dbraw/zinc/59/16/38/1033591638.db2.gz QMQURTVHYGVSHZ-LLVKDONJSA-N 2 2 316.405 3.627 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(F)(F)F)co2)C[C@@H]1C ZINC000878163306 1033604356 /nfs/dbraw/zinc/60/43/56/1033604356.db2.gz PSDXEZFXRGJDRF-WCQYABFASA-N 2 2 304.356 3.603 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(F)(F)F)co2)C[C@@H]1C ZINC000878163306 1033604358 /nfs/dbraw/zinc/60/43/58/1033604358.db2.gz PSDXEZFXRGJDRF-WCQYABFASA-N 2 2 304.356 3.603 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(F)(F)F)co2)C[C@@H]1C ZINC000878163306 1033604361 /nfs/dbraw/zinc/60/43/61/1033604361.db2.gz PSDXEZFXRGJDRF-WCQYABFASA-N 2 2 304.356 3.603 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(F)(F)F)co2)C[C@@H]1C ZINC000878163306 1033604366 /nfs/dbraw/zinc/60/43/66/1033604366.db2.gz PSDXEZFXRGJDRF-WCQYABFASA-N 2 2 304.356 3.603 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000878345807 1033666651 /nfs/dbraw/zinc/66/66/51/1033666651.db2.gz XMZKEVNYGZYDLW-MAUKXSAKSA-N 2 2 311.429 3.625 20 0 DHADLP C1C[N@@H+](C2CCOCC2)C[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173346162 1033699491 /nfs/dbraw/zinc/69/94/91/1033699491.db2.gz ZNUQBYLVLKNVBS-ROUUACIJSA-N 2 2 320.521 3.722 20 0 DHADLP C1C[N@H+](C2CCOCC2)C[C@H]1[NH2+][C@H]1CCCC2(CCCCC2)C1 ZINC001173346162 1033699496 /nfs/dbraw/zinc/69/94/96/1033699496.db2.gz ZNUQBYLVLKNVBS-ROUUACIJSA-N 2 2 320.521 3.722 20 0 DHADLP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)ccc1F ZINC000479352312 1033726037 /nfs/dbraw/zinc/72/60/37/1033726037.db2.gz QKNDNQZDSNGPRX-SFHVURJKSA-N 2 2 308.416 3.878 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000479430454 1033758448 /nfs/dbraw/zinc/75/84/48/1033758448.db2.gz XOTFPTFCTPCHLG-UKRRQHHQSA-N 2 2 308.416 3.502 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000479430454 1033758461 /nfs/dbraw/zinc/75/84/61/1033758461.db2.gz XOTFPTFCTPCHLG-UKRRQHHQSA-N 2 2 308.416 3.502 20 0 DHADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206212970 1033837281 /nfs/dbraw/zinc/83/72/81/1033837281.db2.gz UBYBGPSFHOHAOG-KGLIPLIRSA-N 2 2 305.224 3.563 20 0 DHADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206212970 1033837291 /nfs/dbraw/zinc/83/72/91/1033837291.db2.gz UBYBGPSFHOHAOG-KGLIPLIRSA-N 2 2 305.224 3.563 20 0 DHADLP C[C@@H]1C[C@H](n2c[nH+]c3c2CCCC3)C[N@H+](Cc2ccccc2)C1 ZINC000862430581 1033851269 /nfs/dbraw/zinc/85/12/69/1033851269.db2.gz AWWQHSUMFRFNQR-AEFFLSMTSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@@H]1C[C@H](n2c[nH+]c3c2CCCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000862430581 1033851283 /nfs/dbraw/zinc/85/12/83/1033851283.db2.gz AWWQHSUMFRFNQR-AEFFLSMTSA-N 2 2 309.457 3.845 20 0 DHADLP CC(C)Oc1ccccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001137140735 1033922994 /nfs/dbraw/zinc/92/29/94/1033922994.db2.gz NYPNMSXHQMAAAL-UHFFFAOYSA-N 2 2 304.478 3.778 20 0 DHADLP CC(C)Oc1ccccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001137140735 1033923005 /nfs/dbraw/zinc/92/30/05/1033923005.db2.gz NYPNMSXHQMAAAL-UHFFFAOYSA-N 2 2 304.478 3.778 20 0 DHADLP C[NH+](C)Cc1ccccc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001173929710 1033992117 /nfs/dbraw/zinc/99/21/17/1033992117.db2.gz UXBNLOFSJYNVEH-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP FC(F)(F)Sc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000863481267 1034107941 /nfs/dbraw/zinc/10/79/41/1034107941.db2.gz AOGHABFCNTTXRV-ZDUSSCGKSA-N 2 2 316.392 3.673 20 0 DHADLP Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000879750464 1034113834 /nfs/dbraw/zinc/11/38/34/1034113834.db2.gz RCIKGHAMQVRLOB-HXUWFJFHSA-N 2 2 318.424 3.913 20 0 DHADLP Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000879750464 1034113842 /nfs/dbraw/zinc/11/38/42/1034113842.db2.gz RCIKGHAMQVRLOB-HXUWFJFHSA-N 2 2 318.424 3.913 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000176915653 1034120242 /nfs/dbraw/zinc/12/02/42/1034120242.db2.gz KYBAAZSCXGQGJW-YLJYHZDGSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000176915653 1034120247 /nfs/dbraw/zinc/12/02/47/1034120247.db2.gz KYBAAZSCXGQGJW-YLJYHZDGSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000176915653 1034120253 /nfs/dbraw/zinc/12/02/53/1034120253.db2.gz KYBAAZSCXGQGJW-YLJYHZDGSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000176915653 1034120258 /nfs/dbraw/zinc/12/02/58/1034120258.db2.gz KYBAAZSCXGQGJW-YLJYHZDGSA-N 2 2 309.457 3.567 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000480244795 1034143548 /nfs/dbraw/zinc/14/35/48/1034143548.db2.gz HFEXVVBICRDSQH-MRXNPFEDSA-N 2 2 312.457 3.941 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)o1 ZINC000480244795 1034143561 /nfs/dbraw/zinc/14/35/61/1034143561.db2.gz HFEXVVBICRDSQH-MRXNPFEDSA-N 2 2 312.457 3.941 20 0 DHADLP CCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000480244793 1034144772 /nfs/dbraw/zinc/14/47/72/1034144772.db2.gz HFEXVVBICRDSQH-INIZCTEOSA-N 2 2 312.457 3.941 20 0 DHADLP CCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)o1 ZINC000480244793 1034144775 /nfs/dbraw/zinc/14/47/75/1034144775.db2.gz HFEXVVBICRDSQH-INIZCTEOSA-N 2 2 312.457 3.941 20 0 DHADLP COCCC[C@@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000178216818 1034221579 /nfs/dbraw/zinc/22/15/79/1034221579.db2.gz LMGCDHLDJSPHKT-IEBWSBKVSA-N 2 2 304.478 3.537 20 0 DHADLP C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000178552463 1034245388 /nfs/dbraw/zinc/24/53/88/1034245388.db2.gz BHXDXPIJOINXFL-JKSUJKDBSA-N 2 2 321.424 3.776 20 0 DHADLP c1cn2cc(Nc3cc[nH+]cc3Oc3ccccc3)ccc2[nH+]1 ZINC001174275992 1034268381 /nfs/dbraw/zinc/26/83/81/1034268381.db2.gz NGTPLPYTHRBOFB-UHFFFAOYSA-N 2 2 302.337 3.687 20 0 DHADLP Cc1cn2cccc(NC3=CCC[N@H+](Cc4ccccc4)C3)c2[nH+]1 ZINC001174392800 1034314155 /nfs/dbraw/zinc/31/41/55/1034314155.db2.gz KRKDHBGJHNVHKR-UHFFFAOYSA-N 2 2 318.424 3.844 20 0 DHADLP Cc1cn2cccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)c2[nH+]1 ZINC001174392800 1034314168 /nfs/dbraw/zinc/31/41/68/1034314168.db2.gz KRKDHBGJHNVHKR-UHFFFAOYSA-N 2 2 318.424 3.844 20 0 DHADLP CC1(C)CCC[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)O1 ZINC000880569928 1034363198 /nfs/dbraw/zinc/36/31/98/1034363198.db2.gz LRXAHLVGAHKEHW-ZWKOTPCHSA-N 2 2 313.445 3.562 20 0 DHADLP C[NH+]1CCN(c2ccc(Nc3cccc(C4CCC4)[nH+]3)cc2)CC1 ZINC001174812935 1034635581 /nfs/dbraw/zinc/63/55/81/1034635581.db2.gz DBBYBBFTMKQFSP-UHFFFAOYSA-N 2 2 322.456 3.845 20 0 DHADLP COc1ccc(F)c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000555533363 1034777847 /nfs/dbraw/zinc/77/78/47/1034777847.db2.gz HHZBMGYQJFQLBS-UHFFFAOYSA-N 2 2 320.452 3.579 20 0 DHADLP C[N@H+](Cc1ccccc1C[NH2+]Cc1cocn1)C1CCCCC1 ZINC000192293348 1034793219 /nfs/dbraw/zinc/79/32/19/1034793219.db2.gz PAPVHJOTWACTRK-UHFFFAOYSA-N 2 2 313.445 3.729 20 0 DHADLP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cocn1)C1CCCCC1 ZINC000192293348 1034793231 /nfs/dbraw/zinc/79/32/31/1034793231.db2.gz PAPVHJOTWACTRK-UHFFFAOYSA-N 2 2 313.445 3.729 20 0 DHADLP CCCNc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000193154368 1034835201 /nfs/dbraw/zinc/83/52/01/1034835201.db2.gz AAZMOCTXUICVBO-UHFFFAOYSA-N 2 2 320.440 3.984 20 0 DHADLP CC(C)C(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)C ZINC000193341676 1034842702 /nfs/dbraw/zinc/84/27/02/1034842702.db2.gz ZJDABNFZHIRGPN-UHFFFAOYSA-N 2 2 303.494 3.564 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802095 1034910062 /nfs/dbraw/zinc/91/00/62/1034910062.db2.gz KWFOAPJWUAERGL-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802095 1034910070 /nfs/dbraw/zinc/91/00/70/1034910070.db2.gz KWFOAPJWUAERGL-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802095 1034910074 /nfs/dbraw/zinc/91/00/74/1034910074.db2.gz KWFOAPJWUAERGL-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802095 1034910082 /nfs/dbraw/zinc/91/00/82/1034910082.db2.gz KWFOAPJWUAERGL-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000482008895 1035044775 /nfs/dbraw/zinc/04/47/75/1035044775.db2.gz NNRGOMUHFNNIDU-KRWDZBQOSA-N 2 2 313.489 3.948 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000482008895 1035044783 /nfs/dbraw/zinc/04/47/83/1035044783.db2.gz NNRGOMUHFNNIDU-KRWDZBQOSA-N 2 2 313.489 3.948 20 0 DHADLP Cc1cc2[nH]c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2c(C)c1 ZINC000482012525 1035046186 /nfs/dbraw/zinc/04/61/86/1035046186.db2.gz ZQUQTYACHGZNDC-OXJNMPFZSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2c(C)c1 ZINC000482012525 1035046191 /nfs/dbraw/zinc/04/61/91/1035046191.db2.gz ZQUQTYACHGZNDC-OXJNMPFZSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2c(C)c1 ZINC000482012525 1035046198 /nfs/dbraw/zinc/04/61/98/1035046198.db2.gz ZQUQTYACHGZNDC-OXJNMPFZSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2c(C)c1 ZINC000482012525 1035046206 /nfs/dbraw/zinc/04/62/06/1035046206.db2.gz ZQUQTYACHGZNDC-OXJNMPFZSA-N 2 2 311.473 3.701 20 0 DHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000482133342 1035059559 /nfs/dbraw/zinc/05/95/59/1035059559.db2.gz JPWBCUMFACTPPP-JKSUJKDBSA-N 2 2 315.461 3.818 20 0 DHADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000567889897 1035063429 /nfs/dbraw/zinc/06/34/29/1035063429.db2.gz IUGJAOYBEMZMNU-NVXWUHKLSA-N 2 2 313.445 3.742 20 0 DHADLP COc1cc(Cl)ccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000482761719 1035175784 /nfs/dbraw/zinc/17/57/84/1035175784.db2.gz REXYMTBLDIPPOK-INIZCTEOSA-N 2 2 310.869 3.655 20 0 DHADLP COc1cc(Cl)ccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000482761719 1035175786 /nfs/dbraw/zinc/17/57/86/1035175786.db2.gz REXYMTBLDIPPOK-INIZCTEOSA-N 2 2 310.869 3.655 20 0 DHADLP COc1cc(Cl)ccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000482761719 1035175791 /nfs/dbraw/zinc/17/57/91/1035175791.db2.gz REXYMTBLDIPPOK-INIZCTEOSA-N 2 2 310.869 3.655 20 0 DHADLP COc1cc(Cl)ccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000482761719 1035175796 /nfs/dbraw/zinc/17/57/96/1035175796.db2.gz REXYMTBLDIPPOK-INIZCTEOSA-N 2 2 310.869 3.655 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2OC)C[C@H]1C ZINC000482781050 1035178839 /nfs/dbraw/zinc/17/88/39/1035178839.db2.gz RLIZFXJCEMSFAI-CJNGLKHVSA-N 2 2 310.869 3.653 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2OC)C[C@H]1C ZINC000482781050 1035178841 /nfs/dbraw/zinc/17/88/41/1035178841.db2.gz RLIZFXJCEMSFAI-CJNGLKHVSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2OC)C[C@H]1C ZINC000482781050 1035178844 /nfs/dbraw/zinc/17/88/44/1035178844.db2.gz RLIZFXJCEMSFAI-CJNGLKHVSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2OC)C[C@H]1C ZINC000482781050 1035178847 /nfs/dbraw/zinc/17/88/47/1035178847.db2.gz RLIZFXJCEMSFAI-CJNGLKHVSA-N 2 2 310.869 3.653 20 0 DHADLP CC(C)CCOCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194562131 1035210314 /nfs/dbraw/zinc/21/03/14/1035210314.db2.gz BMUQFHNEVJUSPP-MRXNPFEDSA-N 2 2 301.434 3.586 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC001176234580 1035229514 /nfs/dbraw/zinc/22/95/14/1035229514.db2.gz DDKRBAOOIBESJO-UHFFFAOYSA-N 2 2 316.489 3.924 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cncs1 ZINC000163231736 1035300474 /nfs/dbraw/zinc/30/04/74/1035300474.db2.gz PUJPLCKJYDXMCR-VYDXJSESSA-N 2 2 315.486 3.847 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cncs1 ZINC000163231736 1035300481 /nfs/dbraw/zinc/30/04/81/1035300481.db2.gz PUJPLCKJYDXMCR-VYDXJSESSA-N 2 2 315.486 3.847 20 0 DHADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000483827065 1035303441 /nfs/dbraw/zinc/30/34/41/1035303441.db2.gz WXBUDADLJZKJIZ-OKZBNKHCSA-N 2 2 301.478 3.667 20 0 DHADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000483827065 1035303447 /nfs/dbraw/zinc/30/34/47/1035303447.db2.gz WXBUDADLJZKJIZ-OKZBNKHCSA-N 2 2 301.478 3.667 20 0 DHADLP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990882 1035341267 /nfs/dbraw/zinc/34/12/67/1035341267.db2.gz NTWMSRDMHQXETK-DLBZAZTESA-N 2 2 321.509 3.615 20 0 DHADLP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990882 1035341272 /nfs/dbraw/zinc/34/12/72/1035341272.db2.gz NTWMSRDMHQXETK-DLBZAZTESA-N 2 2 321.509 3.615 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176977373 1035342001 /nfs/dbraw/zinc/34/20/01/1035342001.db2.gz KFGSUCJLLLKSDD-CYBMUJFWSA-N 2 2 316.449 3.646 20 0 DHADLP Cn1c[nH+]cc1C1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC001176977379 1035342010 /nfs/dbraw/zinc/34/20/10/1035342010.db2.gz KIMJWWZQQSYOEI-QGZVFWFLSA-N 2 2 315.848 3.940 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc2ccccc21 ZINC000484476648 1035344379 /nfs/dbraw/zinc/34/43/79/1035344379.db2.gz QDGJCOOTNVXNEE-BEFAXECRSA-N 2 2 314.498 3.928 20 0 DHADLP Cc1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1F ZINC001177217451 1035357212 /nfs/dbraw/zinc/35/72/12/1035357212.db2.gz WTRSNGVJKTYEMU-UHFFFAOYSA-N 2 2 309.388 3.669 20 0 DHADLP Cc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC001177919215 1035398936 /nfs/dbraw/zinc/39/89/36/1035398936.db2.gz KJQMLIBOEQBGCH-BBRMVZONSA-N 2 2 321.515 3.686 20 0 DHADLP Cc1csc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC001177919215 1035398937 /nfs/dbraw/zinc/39/89/37/1035398937.db2.gz KJQMLIBOEQBGCH-BBRMVZONSA-N 2 2 321.515 3.686 20 0 DHADLP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1Br ZINC000904357881 1035405198 /nfs/dbraw/zinc/40/51/98/1035405198.db2.gz CUIIYADFJUCXJM-CQSZACIVSA-N 2 2 323.278 3.522 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](c1ccccc1)C(C)C ZINC001179952792 1035544711 /nfs/dbraw/zinc/54/47/11/1035544711.db2.gz RSRZFUWRDIOPAA-HSALFYBXSA-N 2 2 300.490 3.985 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](c1ccccc1)C(C)C ZINC001179952792 1035544730 /nfs/dbraw/zinc/54/47/30/1035544730.db2.gz RSRZFUWRDIOPAA-HSALFYBXSA-N 2 2 300.490 3.985 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](c1ccccc1)C(C)C ZINC001179952792 1035544743 /nfs/dbraw/zinc/54/47/43/1035544743.db2.gz RSRZFUWRDIOPAA-HSALFYBXSA-N 2 2 300.490 3.985 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](c1ccccc1)C(C)C ZINC001179952792 1035544752 /nfs/dbraw/zinc/54/47/52/1035544752.db2.gz RSRZFUWRDIOPAA-HSALFYBXSA-N 2 2 300.490 3.985 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc(C(C)C)cc1 ZINC001179952754 1035545246 /nfs/dbraw/zinc/54/52/46/1035545246.db2.gz RRVBKFSNERBNGY-UXHICEINSA-N 2 2 300.490 3.911 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc(C(C)C)cc1 ZINC001179952754 1035545254 /nfs/dbraw/zinc/54/52/54/1035545254.db2.gz RRVBKFSNERBNGY-UXHICEINSA-N 2 2 300.490 3.911 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(C(C)C)cc1 ZINC001179952754 1035545263 /nfs/dbraw/zinc/54/52/63/1035545263.db2.gz RRVBKFSNERBNGY-UXHICEINSA-N 2 2 300.490 3.911 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(C(C)C)cc1 ZINC001179952754 1035545269 /nfs/dbraw/zinc/54/52/69/1035545269.db2.gz RRVBKFSNERBNGY-UXHICEINSA-N 2 2 300.490 3.911 20 0 DHADLP Clc1c2ccccc2sc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261676873 1035803447 /nfs/dbraw/zinc/80/34/47/1035803447.db2.gz GJEUJDRTWWRBFJ-NEPJUHHUSA-N 2 2 306.862 3.596 20 0 DHADLP Clc1c2ccccc2sc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261676873 1035803466 /nfs/dbraw/zinc/80/34/66/1035803466.db2.gz GJEUJDRTWWRBFJ-NEPJUHHUSA-N 2 2 306.862 3.596 20 0 DHADLP C[C@@H](C[NH2+]CC(Cc1ccccc1)Cc1ccccc1)[NH+](C)C ZINC001181817746 1036001774 /nfs/dbraw/zinc/00/17/74/1036001774.db2.gz BXEOTYMUYBIKKU-SFHVURJKSA-N 2 2 310.485 3.628 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC001181818972 1036005289 /nfs/dbraw/zinc/00/52/89/1036005289.db2.gz RGMGGBAQHLLQLQ-APHBMKBZSA-N 2 2 314.395 3.881 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906588113 1036014481 /nfs/dbraw/zinc/01/44/81/1036014481.db2.gz FGHHDYIYTGKXIX-ZWKOTPCHSA-N 2 2 302.437 3.632 20 0 DHADLP C[N@@H+]1CC[C@H](Nc2cc[nH+]c3ccsc32)[C@@H]1c1ccccc1 ZINC000485976204 1036066277 /nfs/dbraw/zinc/06/62/77/1036066277.db2.gz KDSUVKFEZOTRDY-YOEHRIQHSA-N 2 2 309.438 3.576 20 0 DHADLP C[N@H+]1CC[C@H](Nc2cc[nH+]c3ccsc32)[C@@H]1c1ccccc1 ZINC000485976204 1036066301 /nfs/dbraw/zinc/06/63/01/1036066301.db2.gz KDSUVKFEZOTRDY-YOEHRIQHSA-N 2 2 309.438 3.576 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000494989037 1036169349 /nfs/dbraw/zinc/16/93/49/1036169349.db2.gz ZVTVMGLZUXSKQH-WMLDXEAASA-N 2 2 324.896 3.901 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000494989037 1036169356 /nfs/dbraw/zinc/16/93/56/1036169356.db2.gz ZVTVMGLZUXSKQH-WMLDXEAASA-N 2 2 324.896 3.901 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000494989037 1036169362 /nfs/dbraw/zinc/16/93/62/1036169362.db2.gz ZVTVMGLZUXSKQH-WMLDXEAASA-N 2 2 324.896 3.901 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000494989037 1036169370 /nfs/dbraw/zinc/16/93/70/1036169370.db2.gz ZVTVMGLZUXSKQH-WMLDXEAASA-N 2 2 324.896 3.901 20 0 DHADLP C[C@H](Cc1cccc(F)c1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001168475449 1036185186 /nfs/dbraw/zinc/18/51/86/1036185186.db2.gz YEVZWMSMRYOUMT-CQSZACIVSA-N 2 2 309.388 3.952 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CCSC1 ZINC000464079041 1036266568 /nfs/dbraw/zinc/26/65/68/1036266568.db2.gz SZJZBTHLIHLULX-LNLFQRSKSA-N 2 2 318.530 3.596 20 0 DHADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)[C@@H]2C1 ZINC000495131805 1036279381 /nfs/dbraw/zinc/27/93/81/1036279381.db2.gz ZMVVBFNQBYIVML-KBXCAEBGSA-N 2 2 314.404 3.612 20 0 DHADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)[C@@H]2C1 ZINC000495131805 1036279393 /nfs/dbraw/zinc/27/93/93/1036279393.db2.gz ZMVVBFNQBYIVML-KBXCAEBGSA-N 2 2 314.404 3.612 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccc(F)cc4)o3)[C@@H]2C1 ZINC000495131805 1036279409 /nfs/dbraw/zinc/27/94/09/1036279409.db2.gz ZMVVBFNQBYIVML-KBXCAEBGSA-N 2 2 314.404 3.612 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccc(F)cc4)o3)[C@@H]2C1 ZINC000495131805 1036279423 /nfs/dbraw/zinc/27/94/23/1036279423.db2.gz ZMVVBFNQBYIVML-KBXCAEBGSA-N 2 2 314.404 3.612 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495179148 1036321511 /nfs/dbraw/zinc/32/15/11/1036321511.db2.gz YRWRPUNTJWDSGY-CQSZACIVSA-N 2 2 319.836 3.841 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495179148 1036321532 /nfs/dbraw/zinc/32/15/32/1036321532.db2.gz YRWRPUNTJWDSGY-CQSZACIVSA-N 2 2 319.836 3.841 20 0 DHADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000774441481 1036333030 /nfs/dbraw/zinc/33/30/30/1036333030.db2.gz JXAQHMWLDBKWPQ-LRDDRELGSA-N 2 2 323.278 3.510 20 0 DHADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000774441481 1036333042 /nfs/dbraw/zinc/33/30/42/1036333042.db2.gz JXAQHMWLDBKWPQ-LRDDRELGSA-N 2 2 323.278 3.510 20 0 DHADLP [NH3+][C@@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205124013 1036333536 /nfs/dbraw/zinc/33/35/36/1036333536.db2.gz INQFCJNBUWDEMR-CQSZACIVSA-N 2 2 321.877 3.777 20 0 DHADLP [NH3+][C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205124013 1036333551 /nfs/dbraw/zinc/33/35/51/1036333551.db2.gz INQFCJNBUWDEMR-CQSZACIVSA-N 2 2 321.877 3.777 20 0 DHADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000774441500 1036334093 /nfs/dbraw/zinc/33/40/93/1036334093.db2.gz JXAQHMWLDBKWPQ-MLGOLLRUSA-N 2 2 323.278 3.510 20 0 DHADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000774441500 1036334110 /nfs/dbraw/zinc/33/41/10/1036334110.db2.gz JXAQHMWLDBKWPQ-MLGOLLRUSA-N 2 2 323.278 3.510 20 0 DHADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000541771114 1036428301 /nfs/dbraw/zinc/42/83/01/1036428301.db2.gz MKGCOEUGBVYSMD-YWPBOTNQSA-N 2 2 320.427 3.928 20 0 DHADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000541771114 1036428317 /nfs/dbraw/zinc/42/83/17/1036428317.db2.gz MKGCOEUGBVYSMD-YWPBOTNQSA-N 2 2 320.427 3.928 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000541908784 1036455022 /nfs/dbraw/zinc/45/50/22/1036455022.db2.gz XAGJBYVRBHOYEO-OAHLLOKOSA-N 2 2 318.461 3.938 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000541908784 1036455042 /nfs/dbraw/zinc/45/50/42/1036455042.db2.gz XAGJBYVRBHOYEO-OAHLLOKOSA-N 2 2 318.461 3.938 20 0 DHADLP C(=C/c1ccncc1)\C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000486963414 1036489145 /nfs/dbraw/zinc/48/91/45/1036489145.db2.gz GAPWOIZZPHKRRG-YJJPMGAVSA-N 2 2 307.441 3.522 20 0 DHADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001183046636 1036504640 /nfs/dbraw/zinc/50/46/40/1036504640.db2.gz YIFCXPBQIDVVAB-YIYPIFLZSA-N 2 2 312.910 3.967 20 0 DHADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001183046636 1036504657 /nfs/dbraw/zinc/50/46/57/1036504657.db2.gz YIFCXPBQIDVVAB-YIYPIFLZSA-N 2 2 312.910 3.967 20 0 DHADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001205263984 1036567720 /nfs/dbraw/zinc/56/77/20/1036567720.db2.gz GORZAQKAYSXJQO-AWEZNQCLSA-N 2 2 304.331 3.548 20 0 DHADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001205263984 1036567729 /nfs/dbraw/zinc/56/77/29/1036567729.db2.gz GORZAQKAYSXJQO-AWEZNQCLSA-N 2 2 304.331 3.548 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)sc1C ZINC001196936290 1036652999 /nfs/dbraw/zinc/65/29/99/1036652999.db2.gz RFPITHQEGIBYBX-KRWDZBQOSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)sc1C ZINC001196936290 1036653013 /nfs/dbraw/zinc/65/30/13/1036653013.db2.gz RFPITHQEGIBYBX-KRWDZBQOSA-N 2 2 321.534 3.846 20 0 DHADLP CCOc1c(Cl)ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1F ZINC001205281018 1036667254 /nfs/dbraw/zinc/66/72/54/1036667254.db2.gz ODUXBHSQPSJMIK-MRXNPFEDSA-N 2 2 314.832 3.581 20 0 DHADLP CCOc1c(Cl)ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1F ZINC001205281018 1036667264 /nfs/dbraw/zinc/66/72/64/1036667264.db2.gz ODUXBHSQPSJMIK-MRXNPFEDSA-N 2 2 314.832 3.581 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC2(C)C)CC1 ZINC000487579690 1036687919 /nfs/dbraw/zinc/68/79/19/1036687919.db2.gz WMJHUCFUKCHLTQ-HDMKZQKVSA-N 2 2 301.478 3.631 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC001197551936 1036798320 /nfs/dbraw/zinc/79/83/20/1036798320.db2.gz DLNXJUBFVZUJSX-INIZCTEOSA-N 2 2 323.362 3.955 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC001197551936 1036798345 /nfs/dbraw/zinc/79/83/45/1036798345.db2.gz DLNXJUBFVZUJSX-INIZCTEOSA-N 2 2 323.362 3.955 20 0 DHADLP CC[C@H](C)[C@@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001184375638 1036827433 /nfs/dbraw/zinc/82/74/33/1036827433.db2.gz VVKJSSGADDXZTO-LZLYRXPVSA-N 2 2 321.509 3.879 20 0 DHADLP CC[C@H](C)[C@@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001184375638 1036827445 /nfs/dbraw/zinc/82/74/45/1036827445.db2.gz VVKJSSGADDXZTO-LZLYRXPVSA-N 2 2 321.509 3.879 20 0 DHADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CS1 ZINC000488413493 1037010710 /nfs/dbraw/zinc/01/07/10/1037010710.db2.gz FNGLEFCOLRGPKB-HUUCEWRRSA-N 2 2 307.507 3.784 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CS1 ZINC000488452782 1037032641 /nfs/dbraw/zinc/03/26/41/1037032641.db2.gz BMJCECRSWLIMPI-WBVHZDCISA-N 2 2 315.486 3.882 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1C(F)(F)F ZINC000315788622 1037054568 /nfs/dbraw/zinc/05/45/68/1037054568.db2.gz YGEQOERPFNTWBY-RCBQFDQVSA-N 2 2 312.379 3.983 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1C(F)(F)F ZINC000315788622 1037054584 /nfs/dbraw/zinc/05/45/84/1037054584.db2.gz YGEQOERPFNTWBY-RCBQFDQVSA-N 2 2 312.379 3.983 20 0 DHADLP CCC[N@H+](C[C@H](CC)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198641557 1037091534 /nfs/dbraw/zinc/09/15/34/1037091534.db2.gz SDOUKEOLLFLWIV-FQEVSTJZSA-N 2 2 318.505 3.788 20 0 DHADLP CCC[N@@H+](C[C@H](CC)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198641557 1037091547 /nfs/dbraw/zinc/09/15/47/1037091547.db2.gz SDOUKEOLLFLWIV-FQEVSTJZSA-N 2 2 318.505 3.788 20 0 DHADLP CC(C)Cc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1 ZINC001198771530 1037128483 /nfs/dbraw/zinc/12/84/83/1037128483.db2.gz WWYDCYPMXBPPDC-UHFFFAOYSA-N 2 2 311.473 3.998 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(Cl)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745253 1037176609 /nfs/dbraw/zinc/17/66/09/1037176609.db2.gz XJSSVRGESRYTLJ-HOCLYGCPSA-N 2 2 318.848 3.933 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(Cl)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309745253 1037176614 /nfs/dbraw/zinc/17/66/14/1037176614.db2.gz XJSSVRGESRYTLJ-HOCLYGCPSA-N 2 2 318.848 3.933 20 0 DHADLP c1ccc(N2CCC([NH2+]Cc3cccc(C4CC4)c3)CC2)[nH+]c1 ZINC000322296548 1037194601 /nfs/dbraw/zinc/19/46/01/1037194601.db2.gz VGJOOIABXUPZLO-UHFFFAOYSA-N 2 2 307.441 3.718 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]Cc2cncc3ccccc32)c[nH+]1 ZINC001199751589 1037327632 /nfs/dbraw/zinc/32/76/32/1037327632.db2.gz REOLFOLCHBTAPZ-UHFFFAOYSA-N 2 2 314.392 3.710 20 0 DHADLP CCc1cc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001186315822 1037365460 /nfs/dbraw/zinc/36/54/60/1037365460.db2.gz KENCCZLJKQBQCR-KUHUBIRLSA-N 2 2 312.461 3.705 20 0 DHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc2sccc2nc1Cl ZINC001205916223 1037613123 /nfs/dbraw/zinc/61/31/23/1037613123.db2.gz TWOPQNUIWZFBNH-GHMZBOCLSA-N 2 2 309.866 3.509 20 0 DHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2sccc2nc1Cl ZINC001205916223 1037613134 /nfs/dbraw/zinc/61/31/34/1037613134.db2.gz TWOPQNUIWZFBNH-GHMZBOCLSA-N 2 2 309.866 3.509 20 0 DHADLP CC(C)=CCC[C@H](C)C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001201491225 1037716228 /nfs/dbraw/zinc/71/62/28/1037716228.db2.gz QZIGLRHYCJFRDR-INIZCTEOSA-N 2 2 316.493 3.598 20 0 DHADLP CCCC[C@H](CC)C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201560148 1037776095 /nfs/dbraw/zinc/77/60/95/1037776095.db2.gz QGIYQQMPIKMCTP-GBESFXJTSA-N 2 2 315.505 3.662 20 0 DHADLP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201560148 1037776111 /nfs/dbraw/zinc/77/61/11/1037776111.db2.gz QGIYQQMPIKMCTP-GBESFXJTSA-N 2 2 315.505 3.662 20 0 DHADLP CCCC[C@H](CC)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201560148 1037776129 /nfs/dbraw/zinc/77/61/29/1037776129.db2.gz QGIYQQMPIKMCTP-GBESFXJTSA-N 2 2 315.505 3.662 20 0 DHADLP CCCC[C@H](CC)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201560148 1037776148 /nfs/dbraw/zinc/77/61/48/1037776148.db2.gz QGIYQQMPIKMCTP-GBESFXJTSA-N 2 2 315.505 3.662 20 0 DHADLP Cc1ccc(CC[C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000156214334 1037905224 /nfs/dbraw/zinc/90/52/24/1037905224.db2.gz HHJQEEACSMEITO-GOSISDBHSA-N 2 2 323.484 3.970 20 0 DHADLP Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cnc1F ZINC001201851301 1037908993 /nfs/dbraw/zinc/90/89/93/1037908993.db2.gz UGOUFDAXNHGBDJ-AWEZNQCLSA-N 2 2 310.376 3.566 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCSCC1 ZINC000187208058 1037955448 /nfs/dbraw/zinc/95/54/48/1037955448.db2.gz GABOUKOPPSJPJX-VQIMIIECSA-N 2 2 318.530 3.772 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCSCC1 ZINC000187208058 1037955458 /nfs/dbraw/zinc/95/54/58/1037955458.db2.gz GABOUKOPPSJPJX-VQIMIIECSA-N 2 2 318.530 3.772 20 0 DHADLP C[C@@H](CC[NH2+]Cc1ccc2c(n1)CCC2)[N@H+](C)Cc1ccccc1 ZINC000570927337 1038049762 /nfs/dbraw/zinc/04/97/62/1038049762.db2.gz GPXVFTKYWCSCBY-KRWDZBQOSA-N 2 2 323.484 3.571 20 0 DHADLP C[C@@H](CC[NH2+]Cc1ccc2c(n1)CCC2)[N@@H+](C)Cc1ccccc1 ZINC000570927337 1038049789 /nfs/dbraw/zinc/04/97/89/1038049789.db2.gz GPXVFTKYWCSCBY-KRWDZBQOSA-N 2 2 323.484 3.571 20 0 DHADLP CCC1(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCC1 ZINC000165324116 1038483878 /nfs/dbraw/zinc/48/38/78/1038483878.db2.gz IWMXLIBOCMEPQY-UHFFFAOYSA-N 2 2 315.505 3.891 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1Cl ZINC000225260766 1038946153 /nfs/dbraw/zinc/94/61/53/1038946153.db2.gz USHRARLCXCCKKP-OAHLLOKOSA-N 2 2 309.816 3.880 20 0 DHADLP C1CC([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCCC2)C1 ZINC000655779360 1039820592 /nfs/dbraw/zinc/82/05/92/1039820592.db2.gz JOPHOUUBPOLAAX-PMACEKPBSA-N 2 2 320.521 3.578 20 0 DHADLP COc1ccc2ccccc2c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648412 185331299 /nfs/dbraw/zinc/33/12/99/185331299.db2.gz ZBNLICJZFQFCHE-UHFFFAOYSA-N 2 2 321.424 3.882 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)c1cccnc1 ZINC000092719640 185336158 /nfs/dbraw/zinc/33/61/58/185336158.db2.gz DJODHNNRBQFJFD-ZBFHGGJFSA-N 2 2 301.459 3.631 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cccnc2)[NH+]2CCCC2)cc1 ZINC000092743127 185337898 /nfs/dbraw/zinc/33/78/98/185337898.db2.gz YQCBZSTUJJAQFO-FXAWDEMLSA-N 2 2 309.457 3.878 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)[C@@H]1c1cccnc1 ZINC000328627236 529794204 /nfs/dbraw/zinc/79/42/04/529794204.db2.gz FXAXCCMFTIQSKQ-GTAWCEEGSA-N 2 2 313.489 3.633 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)[C@@H]1c1cccnc1 ZINC000328627236 529794205 /nfs/dbraw/zinc/79/42/05/529794205.db2.gz FXAXCCMFTIQSKQ-GTAWCEEGSA-N 2 2 313.489 3.633 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186747348 200003292 /nfs/dbraw/zinc/00/32/92/200003292.db2.gz QQORWXCVEHJWAM-UONOGXRCSA-N 2 2 312.442 3.783 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccccc1Br ZINC000019942962 182168918 /nfs/dbraw/zinc/16/89/18/182168918.db2.gz PGCYTCXUAXSIRJ-CYBMUJFWSA-N 2 2 313.283 3.832 20 0 DHADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000020126906 182190159 /nfs/dbraw/zinc/19/01/59/182190159.db2.gz IGLKDNNPBGJJBZ-HNNXBMFYSA-N 2 2 311.267 3.586 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C2(c3ccccc3)CC2)CC1 ZINC000272555468 130041039 /nfs/dbraw/zinc/04/10/39/130041039.db2.gz MQSKOOXUGGRCFO-UHFFFAOYSA-N 2 2 312.379 3.682 20 0 DHADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000353433511 130649981 /nfs/dbraw/zinc/64/99/81/130649981.db2.gz GTFJOPKRHCCUHU-OAHLLOKOSA-N 2 2 316.367 3.722 20 0 DHADLP C[N@H+](Cc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285543674 131179348 /nfs/dbraw/zinc/17/93/48/131179348.db2.gz QCCLHYZTLMUVTP-YIONKMFJSA-N 2 2 323.278 3.506 20 0 DHADLP C[N@@H+](Cc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285543674 131179350 /nfs/dbraw/zinc/17/93/50/131179350.db2.gz QCCLHYZTLMUVTP-YIONKMFJSA-N 2 2 323.278 3.506 20 0 DHADLP C[NH+](Cc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285543674 131179351 /nfs/dbraw/zinc/17/93/51/131179351.db2.gz QCCLHYZTLMUVTP-YIONKMFJSA-N 2 2 323.278 3.506 20 0 DHADLP C[NH+](Cc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285543674 131179352 /nfs/dbraw/zinc/17/93/52/131179352.db2.gz QCCLHYZTLMUVTP-YIONKMFJSA-N 2 2 323.278 3.506 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000285585648 131183290 /nfs/dbraw/zinc/18/32/90/131183290.db2.gz IXKGPNQWMYDEJA-HNNXBMFYSA-N 2 2 308.429 3.789 20 0 DHADLP CCC[N@H+](C)[C@@H](C[NH2+]C1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000287262227 131272205 /nfs/dbraw/zinc/27/22/05/131272205.db2.gz CDDBNBAUOQDTOS-ABHNRTSZSA-N 2 2 324.896 3.616 20 0 DHADLP CCC[N@@H+](C)[C@@H](C[NH2+]C1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000287262227 131272206 /nfs/dbraw/zinc/27/22/06/131272206.db2.gz CDDBNBAUOQDTOS-ABHNRTSZSA-N 2 2 324.896 3.616 20 0 DHADLP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000340261653 131299548 /nfs/dbraw/zinc/29/95/48/131299548.db2.gz VBNIUUGETKOFLZ-CQSZACIVSA-N 2 2 301.409 3.542 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000340261653 131299549 /nfs/dbraw/zinc/29/95/49/131299549.db2.gz VBNIUUGETKOFLZ-CQSZACIVSA-N 2 2 301.409 3.542 20 0 DHADLP COc1ccc(C[N@H+](CCCn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000288933804 131345538 /nfs/dbraw/zinc/34/55/38/131345538.db2.gz WFONGQRTIJUAAB-UHFFFAOYSA-N 2 2 301.434 3.583 20 0 DHADLP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000288933804 131345540 /nfs/dbraw/zinc/34/55/40/131345540.db2.gz WFONGQRTIJUAAB-UHFFFAOYSA-N 2 2 301.434 3.583 20 0 DHADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000289233682 131367455 /nfs/dbraw/zinc/36/74/55/131367455.db2.gz YVTBCXOUMXHHKA-YOUVMVQBSA-N 2 2 303.356 3.581 20 0 DHADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000289233682 131367456 /nfs/dbraw/zinc/36/74/56/131367456.db2.gz YVTBCXOUMXHHKA-YOUVMVQBSA-N 2 2 303.356 3.581 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289336146 131375370 /nfs/dbraw/zinc/37/53/70/131375370.db2.gz VPRTZCPJYTVJTM-OLZOCXBDSA-N 2 2 311.351 3.684 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]CCCCC(F)(F)F)[C@H]1c1ccccc1 ZINC000289452079 131386978 /nfs/dbraw/zinc/38/69/78/131386978.db2.gz UWWFYZFGZQOVCT-LSDHHAIUSA-N 2 2 300.368 3.754 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]CCCCC(F)(F)F)[C@H]1c1ccccc1 ZINC000289452079 131386981 /nfs/dbraw/zinc/38/69/81/131386981.db2.gz UWWFYZFGZQOVCT-LSDHHAIUSA-N 2 2 300.368 3.754 20 0 DHADLP C[C@H](C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1)C[NH+](C)C ZINC000297309384 132008623 /nfs/dbraw/zinc/00/86/23/132008623.db2.gz MTVSPVUHBSKELC-HZPDHXFCSA-N 2 2 313.445 3.722 20 0 DHADLP C[C@H]([NH2+]C1(CN[C@@H]2CCn3cc[nH+]c32)CCCC1)c1ccccc1 ZINC000297769635 132033584 /nfs/dbraw/zinc/03/35/84/132033584.db2.gz PDUBGHVYXQQUOU-FUHWJXTLSA-N 2 2 324.472 3.581 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340582638 132036748 /nfs/dbraw/zinc/03/67/48/132036748.db2.gz KNBKZNVHVNMVFJ-HZMBPMFUSA-N 2 2 310.228 3.856 20 0 DHADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCc1c[nH+]cn1C ZINC000297874316 132038399 /nfs/dbraw/zinc/03/83/99/132038399.db2.gz PZMJAFRFAYMGHL-LLVKDONJSA-N 2 2 312.244 3.962 20 0 DHADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297874316 132038400 /nfs/dbraw/zinc/03/84/00/132038400.db2.gz PZMJAFRFAYMGHL-LLVKDONJSA-N 2 2 312.244 3.962 20 0 DHADLP C[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000298419887 132061666 /nfs/dbraw/zinc/06/16/66/132061666.db2.gz QJNBQGVDZURWRM-QGZVFWFLSA-N 2 2 305.425 3.825 20 0 DHADLP Cn1c[nH+]cc1CC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000298596287 132069258 /nfs/dbraw/zinc/06/92/58/132069258.db2.gz YTHWFOFMPPHUAK-UHFFFAOYSA-N 2 2 310.228 3.548 20 0 DHADLP c1cc2cccc(C[N@@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)c2[nH]1 ZINC000299739356 229372578 /nfs/dbraw/zinc/37/25/78/229372578.db2.gz NOTFSSMEXJXWRZ-QGZVFWFLSA-N 2 2 320.440 3.690 20 0 DHADLP c1cc2cccc(C[N@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)c2[nH]1 ZINC000299739356 229372581 /nfs/dbraw/zinc/37/25/81/229372581.db2.gz NOTFSSMEXJXWRZ-QGZVFWFLSA-N 2 2 320.440 3.690 20 0 DHADLP C[C@H](C[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000525875084 335088846 /nfs/dbraw/zinc/08/88/46/335088846.db2.gz RJOSVQDUCAHHGQ-UZLBHIALSA-N 2 2 314.448 3.692 20 0 DHADLP COc1ccc2[nH+]c(NC[C@@H](C)C[NH+]3CCCCC3)ccc2c1 ZINC000601505392 435331238 /nfs/dbraw/zinc/33/12/38/435331238.db2.gz JCDDJQYBXMPKQC-OAHLLOKOSA-N 2 2 313.445 3.777 20 0 DHADLP CCc1ccc([C@H](CNc2cc[nH+]c(C(C)C)n2)[NH+](C)C)cc1 ZINC000520708227 435766342 /nfs/dbraw/zinc/76/63/42/435766342.db2.gz IZSKXYYUMLGZMW-KRWDZBQOSA-N 2 2 312.461 3.877 20 0 DHADLP Cc1ccc2[nH]c(C[NH2+]Cc3c[nH+]c4n3CCCC4)cc2c1C ZINC000556409122 331701308 /nfs/dbraw/zinc/70/13/08/331701308.db2.gz COGNZNHKQQAPGD-UHFFFAOYSA-N 2 2 308.429 3.607 20 0 DHADLP CC1=CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000556853661 331741124 /nfs/dbraw/zinc/74/11/24/331741124.db2.gz JAHAMURTBXBYIC-FHERZECASA-N 2 2 316.411 3.880 20 0 DHADLP CCOc1ccc(C[NH2+]C[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000518277997 332005770 /nfs/dbraw/zinc/00/57/70/332005770.db2.gz GJFPJQRGRMOJGZ-QGZVFWFLSA-N 2 2 324.468 3.622 20 0 DHADLP CCOc1ccc(C[NH2+]C[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000518277997 332005771 /nfs/dbraw/zinc/00/57/71/332005771.db2.gz GJFPJQRGRMOJGZ-QGZVFWFLSA-N 2 2 324.468 3.622 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000128483057 332012217 /nfs/dbraw/zinc/01/22/17/332012217.db2.gz GLUYXAYJLFAKNP-AWEZNQCLSA-N 2 2 309.504 3.677 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000128483057 332012218 /nfs/dbraw/zinc/01/22/18/332012218.db2.gz GLUYXAYJLFAKNP-AWEZNQCLSA-N 2 2 309.504 3.677 20 0 DHADLP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000569357340 332030903 /nfs/dbraw/zinc/03/09/03/332030903.db2.gz GUWHOUBLEADXNM-KBXCAEBGSA-N 2 2 318.848 3.952 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000091670319 332109848 /nfs/dbraw/zinc/10/98/48/332109848.db2.gz MHSQHDYHOOQVLB-UHFFFAOYSA-N 2 2 316.420 3.920 20 0 DHADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000091670495 332110093 /nfs/dbraw/zinc/11/00/93/332110093.db2.gz JUOGPDCJMSHNKK-UHFFFAOYSA-N 2 2 300.471 3.941 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000133162891 332137884 /nfs/dbraw/zinc/13/78/84/332137884.db2.gz FUVINPDYPJDAAV-QWHCGFSZSA-N 2 2 304.821 3.803 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000133162891 332137886 /nfs/dbraw/zinc/13/78/86/332137886.db2.gz FUVINPDYPJDAAV-QWHCGFSZSA-N 2 2 304.821 3.803 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427111771 332168598 /nfs/dbraw/zinc/16/85/98/332168598.db2.gz VKYCKQVZZDZDBO-UYAOXDASSA-N 2 2 322.452 3.546 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427111771 332168600 /nfs/dbraw/zinc/16/86/00/332168600.db2.gz VKYCKQVZZDZDBO-UYAOXDASSA-N 2 2 322.452 3.546 20 0 DHADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cc2ccccc2o1 ZINC000151543766 332205835 /nfs/dbraw/zinc/20/58/35/332205835.db2.gz DQLJPUBIXUEXHE-AWEZNQCLSA-N 2 2 318.380 3.864 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)CCC2 ZINC000363756934 332240981 /nfs/dbraw/zinc/24/09/81/332240981.db2.gz IRNHNWOKZUSTCZ-RTBURBONSA-N 2 2 309.457 3.680 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(F)c1 ZINC000363760503 332242518 /nfs/dbraw/zinc/24/25/18/332242518.db2.gz ZBCHMGQLSPIAKV-KGLIPLIRSA-N 2 2 317.408 3.567 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C[C@H]1c1ccccc1 ZINC000559751712 332278970 /nfs/dbraw/zinc/27/89/70/332278970.db2.gz KTNHXLLRLRJMFD-MJGOQNOKSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C[C@H]1c1ccccc1 ZINC000559751712 332278971 /nfs/dbraw/zinc/27/89/71/332278971.db2.gz KTNHXLLRLRJMFD-MJGOQNOKSA-N 2 2 316.395 3.890 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c2ccccc21 ZINC000559859558 332286309 /nfs/dbraw/zinc/28/63/09/332286309.db2.gz YYYDKOGNVRYGFC-QWHCGFSZSA-N 2 2 309.388 3.910 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c2ccccc21 ZINC000559859558 332286310 /nfs/dbraw/zinc/28/63/10/332286310.db2.gz YYYDKOGNVRYGFC-QWHCGFSZSA-N 2 2 309.388 3.910 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000560586279 332365695 /nfs/dbraw/zinc/36/56/95/332365695.db2.gz MAICAFOWUDNBEK-HKUYNNGSSA-N 2 2 302.462 3.610 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000560586279 332365696 /nfs/dbraw/zinc/36/56/96/332365696.db2.gz MAICAFOWUDNBEK-HKUYNNGSSA-N 2 2 302.462 3.610 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000560910231 332394042 /nfs/dbraw/zinc/39/40/42/332394042.db2.gz OALPOOCROHSPGB-IEBWSBKVSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C)CCCCC1 ZINC000560910231 332394043 /nfs/dbraw/zinc/39/40/43/332394043.db2.gz OALPOOCROHSPGB-IEBWSBKVSA-N 2 2 315.505 3.852 20 0 DHADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(C2CCCCC2)s1)C1CCCC1 ZINC000560966695 332397744 /nfs/dbraw/zinc/39/77/44/332397744.db2.gz KJIKYGFSICBGGZ-MRXNPFEDSA-N 2 2 307.507 3.798 20 0 DHADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000427623104 332469324 /nfs/dbraw/zinc/46/93/24/332469324.db2.gz UWZRETYEKIFHSK-FQEVSTJZSA-N 2 2 323.484 3.907 20 0 DHADLP COc1cccc([C@H](C[NH2+]C2CC3(CCC3)C2)[NH+]2CCCC2)c1 ZINC000448066633 332485119 /nfs/dbraw/zinc/48/51/19/332485119.db2.gz MGDHKNBJMRWXHS-IBGZPJMESA-N 2 2 314.473 3.754 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)ccc2c1 ZINC000427886262 332554748 /nfs/dbraw/zinc/55/47/48/332554748.db2.gz OPSQIUTXJQTTTK-RDTXWAMCSA-N 2 2 321.424 3.711 20 0 DHADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427887918 332555423 /nfs/dbraw/zinc/55/54/23/332555423.db2.gz VAGUJRSHCHJPKA-WBVHZDCISA-N 2 2 313.445 3.584 20 0 DHADLP CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427887916 332555463 /nfs/dbraw/zinc/55/54/63/332555463.db2.gz VAGUJRSHCHJPKA-RDJZCZTQSA-N 2 2 313.445 3.584 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1C1CCCCC1)CC2 ZINC000427899827 332557992 /nfs/dbraw/zinc/55/79/92/332557992.db2.gz XJRVOSUDBLKFKP-KURKYZTESA-N 2 2 301.478 3.927 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000163754169 332968970 /nfs/dbraw/zinc/96/89/70/332968970.db2.gz SURGZGUIBDMLTC-SFHVURJKSA-N 2 2 324.468 3.678 20 0 DHADLP Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)nc1C ZINC000314005786 333081872 /nfs/dbraw/zinc/08/18/72/333081872.db2.gz AXUMVIBGKQPFGX-MRXNPFEDSA-N 2 2 306.413 3.735 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000314122431 333088346 /nfs/dbraw/zinc/08/83/46/333088346.db2.gz FAXWHAOFZUVVCH-JSGCOSHPSA-N 2 2 316.367 3.720 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000314122431 333088347 /nfs/dbraw/zinc/08/83/47/333088347.db2.gz FAXWHAOFZUVVCH-JSGCOSHPSA-N 2 2 316.367 3.720 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000314122426 333088361 /nfs/dbraw/zinc/08/83/61/333088361.db2.gz FAXWHAOFZUVVCH-GXTWGEPZSA-N 2 2 316.367 3.720 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000314122426 333088363 /nfs/dbraw/zinc/08/83/63/333088363.db2.gz FAXWHAOFZUVVCH-GXTWGEPZSA-N 2 2 316.367 3.720 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000462842780 333124599 /nfs/dbraw/zinc/12/45/99/333124599.db2.gz RQMGEJCQDIUIHP-MPGHIAIKSA-N 2 2 304.478 3.997 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000462842780 333124600 /nfs/dbraw/zinc/12/46/00/333124600.db2.gz RQMGEJCQDIUIHP-MPGHIAIKSA-N 2 2 304.478 3.997 20 0 DHADLP Cc1sccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000310020669 333216000 /nfs/dbraw/zinc/21/60/00/333216000.db2.gz RHDOUNPIDCPNPJ-KBXCAEBGSA-N 2 2 300.471 3.809 20 0 DHADLP Cc1sccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000310020669 333216002 /nfs/dbraw/zinc/21/60/02/333216002.db2.gz RHDOUNPIDCPNPJ-KBXCAEBGSA-N 2 2 300.471 3.809 20 0 DHADLP CCCOc1cccc2c(N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc[nH+]c12 ZINC000497260930 333229058 /nfs/dbraw/zinc/22/90/58/333229058.db2.gz KNOKMXRWIUOTTK-HUUCEWRRSA-N 2 2 313.445 3.918 20 0 DHADLP CCCOc1cccc2c(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc[nH+]c12 ZINC000497260930 333229059 /nfs/dbraw/zinc/22/90/59/333229059.db2.gz KNOKMXRWIUOTTK-HUUCEWRRSA-N 2 2 313.445 3.918 20 0 DHADLP C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000388350492 333279103 /nfs/dbraw/zinc/27/91/03/333279103.db2.gz PSPPWRLCNUPQIL-CYBMUJFWSA-N 2 2 315.383 3.761 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000502501273 333301021 /nfs/dbraw/zinc/30/10/21/333301021.db2.gz LHGFBGMTACBESK-OALUTQOASA-N 2 2 322.537 3.828 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000390581607 333303870 /nfs/dbraw/zinc/30/38/70/333303870.db2.gz IODZUYIANWBXCT-IIBYNOLFSA-N 2 2 324.468 3.793 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000390581607 333303872 /nfs/dbraw/zinc/30/38/72/333303872.db2.gz IODZUYIANWBXCT-IIBYNOLFSA-N 2 2 324.468 3.793 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CC[N@@H+]1C ZINC000531213523 333335068 /nfs/dbraw/zinc/33/50/68/333335068.db2.gz YLHMWPNYNLFNLM-UKRRQHHQSA-N 2 2 307.507 3.763 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CC[N@H+]1C ZINC000531213523 333335070 /nfs/dbraw/zinc/33/50/70/333335070.db2.gz YLHMWPNYNLFNLM-UKRRQHHQSA-N 2 2 307.507 3.763 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1Br ZINC000221912609 333377773 /nfs/dbraw/zinc/37/77/73/333377773.db2.gz VHIQALNJFSOSKN-CYBMUJFWSA-N 2 2 313.283 3.830 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1Br ZINC000221912609 333377774 /nfs/dbraw/zinc/37/77/74/333377774.db2.gz VHIQALNJFSOSKN-CYBMUJFWSA-N 2 2 313.283 3.830 20 0 DHADLP C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122089534 333391288 /nfs/dbraw/zinc/39/12/88/333391288.db2.gz BPBYZSJXOMUSSV-PBHICJAKSA-N 2 2 301.459 3.809 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000261933429 333391547 /nfs/dbraw/zinc/39/15/47/333391547.db2.gz KAVANIYDBMNVGX-MRXNPFEDSA-N 2 2 319.836 3.698 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000261933429 333391549 /nfs/dbraw/zinc/39/15/49/333391549.db2.gz KAVANIYDBMNVGX-MRXNPFEDSA-N 2 2 319.836 3.698 20 0 DHADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)(C)C)n1C ZINC000320810196 335145606 /nfs/dbraw/zinc/14/56/06/335145606.db2.gz LAEPWZRMBPVTRA-INIZCTEOSA-N 2 2 318.440 3.502 20 0 DHADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152233923 333649162 /nfs/dbraw/zinc/64/91/62/333649162.db2.gz MXFQJYIFJSATMC-FOIQADDNSA-N 2 2 303.409 3.895 20 0 DHADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc2ccccc2s1 ZINC000414334515 333941520 /nfs/dbraw/zinc/94/15/20/333941520.db2.gz IOKKNEAGTJMUKQ-LBPRGKRZSA-N 2 2 314.458 3.552 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414548671 334015288 /nfs/dbraw/zinc/01/52/88/334015288.db2.gz YGGLGQYAQDFSAT-LLVKDONJSA-N 2 2 306.759 3.543 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414548671 334015289 /nfs/dbraw/zinc/01/52/89/334015289.db2.gz YGGLGQYAQDFSAT-LLVKDONJSA-N 2 2 306.759 3.543 20 0 DHADLP CC[C@@H](c1nc([C@@H]([NH3+])CC(C)C)no1)[N@H+](C)Cc1ccccc1 ZINC000414611758 334040803 /nfs/dbraw/zinc/04/08/03/334040803.db2.gz CSCDIPGQPTTZMU-HOTGVXAUSA-N 2 2 316.449 3.699 20 0 DHADLP CC[C@@H](c1nc([C@@H]([NH3+])CC(C)C)no1)[N@@H+](C)Cc1ccccc1 ZINC000414611758 334040804 /nfs/dbraw/zinc/04/08/04/334040804.db2.gz CSCDIPGQPTTZMU-HOTGVXAUSA-N 2 2 316.449 3.699 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2OC)cc1 ZINC000414659184 334059027 /nfs/dbraw/zinc/05/90/27/334059027.db2.gz KRANTUJXEDUWAM-GOSISDBHSA-N 2 2 310.441 3.546 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2OC)cc1 ZINC000414659184 334059029 /nfs/dbraw/zinc/05/90/29/334059029.db2.gz KRANTUJXEDUWAM-GOSISDBHSA-N 2 2 310.441 3.546 20 0 DHADLP C[NH2+]C1CC[NH+](Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 ZINC000414678922 334067351 /nfs/dbraw/zinc/06/73/51/334067351.db2.gz VZMIJLQAMCVZOP-UHFFFAOYSA-N 2 2 324.468 3.758 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000414813976 334106053 /nfs/dbraw/zinc/10/60/53/334106053.db2.gz NCPUGCRAYRFCAC-HNNXBMFYSA-N 2 2 303.475 3.726 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CC3 ZINC000414829335 334110152 /nfs/dbraw/zinc/11/01/52/334110152.db2.gz KPNOHYPNUIOGGN-QFBILLFUSA-N 2 2 319.452 3.623 20 0 DHADLP [NH3+]C1(C[NH2+]Cc2csc(-c3ccccc3)n2)CCCCC1 ZINC000414841263 334112892 /nfs/dbraw/zinc/11/28/92/334112892.db2.gz LGGIUIZDNGEBGK-UHFFFAOYSA-N 2 2 301.459 3.561 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)CC2CCOCC2)cc1 ZINC000414844524 334114054 /nfs/dbraw/zinc/11/40/54/334114054.db2.gz KUFAVHYGMCKEIX-DNVCBOLYSA-N 2 2 304.478 3.605 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414874214 334144268 /nfs/dbraw/zinc/14/42/68/334144268.db2.gz YTQAEGAAALRDRZ-SFHVURJKSA-N 2 2 310.441 3.512 20 0 DHADLP FC(F)(F)c1ccc(Cl)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414899518 334162784 /nfs/dbraw/zinc/16/27/84/334162784.db2.gz CBNZZRGYNKLJDE-GFCCVEGCSA-N 2 2 306.759 3.591 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH+]1CCC(c3[nH]cc[nH+]3)CC1)CC2 ZINC000343593143 335180275 /nfs/dbraw/zinc/18/02/75/335180275.db2.gz AGTTZYIWIZBOSQ-MRXNPFEDSA-N 2 2 301.821 3.930 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000292755030 334191812 /nfs/dbraw/zinc/19/18/12/334191812.db2.gz ILOVRSAFVXSUKQ-UHFFFAOYSA-N 2 2 312.461 3.870 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000292754668 334191955 /nfs/dbraw/zinc/19/19/55/334191955.db2.gz ITUQJHHSPQYUHE-KBXCAEBGSA-N 2 2 316.470 3.676 20 0 DHADLP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343603020 335176377 /nfs/dbraw/zinc/17/63/77/335176377.db2.gz GAXLHIGEALSZMY-ZIAGYGMSSA-N 2 2 316.342 3.561 20 0 DHADLP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343603020 335176378 /nfs/dbraw/zinc/17/63/78/335176378.db2.gz GAXLHIGEALSZMY-ZIAGYGMSSA-N 2 2 316.342 3.561 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)cn1 ZINC000414940337 334202448 /nfs/dbraw/zinc/20/24/48/334202448.db2.gz KFTWNAYOYOGIRY-NRFANRHFSA-N 2 2 319.452 3.765 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ccccc2OC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000294874120 334214062 /nfs/dbraw/zinc/21/40/62/334214062.db2.gz DNAHANXJXBJTRF-MAUKXSAKSA-N 2 2 311.429 3.507 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ccccc2OC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000294874120 334214063 /nfs/dbraw/zinc/21/40/63/334214063.db2.gz DNAHANXJXBJTRF-MAUKXSAKSA-N 2 2 311.429 3.507 20 0 DHADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414980641 334225396 /nfs/dbraw/zinc/22/53/96/334225396.db2.gz PYSGLPQDLFWFHU-LLVKDONJSA-N 2 2 314.273 3.551 20 0 DHADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415087243 334275654 /nfs/dbraw/zinc/27/56/54/334275654.db2.gz SQGLQMCYCGXRAM-DFBGVHRSSA-N 2 2 318.358 3.939 20 0 DHADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415087249 334275826 /nfs/dbraw/zinc/27/58/26/334275826.db2.gz SQGLQMCYCGXRAM-UGFHNGPFSA-N 2 2 318.358 3.939 20 0 DHADLP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415038220 334260655 /nfs/dbraw/zinc/26/06/55/334260655.db2.gz HUEQGIXATVOTBO-DGCLKSJQSA-N 2 2 318.408 3.731 20 0 DHADLP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415038220 334260656 /nfs/dbraw/zinc/26/06/56/334260656.db2.gz HUEQGIXATVOTBO-DGCLKSJQSA-N 2 2 318.408 3.731 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000415064122 334262251 /nfs/dbraw/zinc/26/22/51/334262251.db2.gz JVBYARWUDRRWRL-KRWDZBQOSA-N 2 2 318.848 3.701 20 0 DHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000415080005 334269643 /nfs/dbraw/zinc/26/96/43/334269643.db2.gz KUFOJCGSDARMMF-CJNGLKHVSA-N 2 2 315.486 3.830 20 0 DHADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(F)c1 ZINC000415091333 334280234 /nfs/dbraw/zinc/28/02/34/334280234.db2.gz YXRUBTOSNSHCAI-FUHWJXTLSA-N 2 2 302.368 3.548 20 0 DHADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1c1cccc(F)c1 ZINC000415118478 334284015 /nfs/dbraw/zinc/28/40/15/334284015.db2.gz DHJQONBGMXXOGY-DLBZAZTESA-N 2 2 320.358 3.690 20 0 DHADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1c1cccc(F)c1 ZINC000415118478 334284016 /nfs/dbraw/zinc/28/40/16/334284016.db2.gz DHJQONBGMXXOGY-DLBZAZTESA-N 2 2 320.358 3.690 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000531949984 334304173 /nfs/dbraw/zinc/30/41/73/334304173.db2.gz BDCUEVGYZIRKLB-SMDDNHRTSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000531949984 334304174 /nfs/dbraw/zinc/30/41/74/334304174.db2.gz BDCUEVGYZIRKLB-SMDDNHRTSA-N 2 2 301.261 3.813 20 0 DHADLP COc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000443011960 338442037 /nfs/dbraw/zinc/44/20/37/338442037.db2.gz IJZBXILCQQXGIS-UZLBHIALSA-N 2 2 312.457 3.785 20 0 DHADLP FC(F)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000303430867 334319630 /nfs/dbraw/zinc/31/96/30/334319630.db2.gz BUPWILXNSGGFFG-SFHVURJKSA-N 2 2 316.395 3.988 20 0 DHADLP FC(F)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000303430867 334319631 /nfs/dbraw/zinc/31/96/31/334319631.db2.gz BUPWILXNSGGFFG-SFHVURJKSA-N 2 2 316.395 3.988 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c2ccccc12 ZINC000531984232 334359165 /nfs/dbraw/zinc/35/91/65/334359165.db2.gz PIPHDVCYUGROGZ-JKSUJKDBSA-N 2 2 312.457 3.841 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c2ccccc12 ZINC000531984232 334359167 /nfs/dbraw/zinc/35/91/67/334359167.db2.gz PIPHDVCYUGROGZ-JKSUJKDBSA-N 2 2 312.457 3.841 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1F ZINC000531991958 334366247 /nfs/dbraw/zinc/36/62/47/334366247.db2.gz HJKBDALEONEEFI-MQIPJXDCSA-N 2 2 308.466 3.681 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1F ZINC000531991958 334366249 /nfs/dbraw/zinc/36/62/49/334366249.db2.gz HJKBDALEONEEFI-MQIPJXDCSA-N 2 2 308.466 3.681 20 0 DHADLP Cc1ccc(CCC[NH+]2CCC(F)(c3cccnc3)CC2)c[nH+]1 ZINC000342866069 334584611 /nfs/dbraw/zinc/58/46/11/334584611.db2.gz YLYGXJASKHRLSG-UHFFFAOYSA-N 2 2 313.420 3.678 20 0 DHADLP CC(C)(CNc1cc(C(F)(F)F)cc[nH+]1)C[NH+]1CCCC1 ZINC000343219385 334688446 /nfs/dbraw/zinc/68/84/46/334688446.db2.gz VWVCHRKXJFRDOI-UHFFFAOYSA-N 2 2 301.356 3.634 20 0 DHADLP C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000417409284 334864046 /nfs/dbraw/zinc/86/40/46/334864046.db2.gz VFZNNPMLPNUQMO-QRWLVFNGSA-N 2 2 319.408 3.794 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc(C)c1OC(F)F ZINC000126853830 334865826 /nfs/dbraw/zinc/86/58/26/334865826.db2.gz FENNHGAXZITQOD-GFCCVEGCSA-N 2 2 323.387 3.527 20 0 DHADLP COc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000343646802 335184685 /nfs/dbraw/zinc/18/46/85/335184685.db2.gz SQNAAJONTUGEMD-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP COc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000343646802 335184686 /nfs/dbraw/zinc/18/46/86/335184686.db2.gz SQNAAJONTUGEMD-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)[C@@H](C)C1 ZINC000343873327 335199271 /nfs/dbraw/zinc/19/92/71/335199271.db2.gz UVCRLSFDZQYUSX-VUCTXSBTSA-N 2 2 324.415 3.595 20 0 DHADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)[C@@H](C)C1 ZINC000343873327 335199272 /nfs/dbraw/zinc/19/92/72/335199272.db2.gz UVCRLSFDZQYUSX-VUCTXSBTSA-N 2 2 324.415 3.595 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000343830425 335200130 /nfs/dbraw/zinc/20/01/30/335200130.db2.gz GKGPFULLWUMSAS-ZWOKBUDYSA-N 2 2 309.457 3.876 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000343830425 335200132 /nfs/dbraw/zinc/20/01/32/335200132.db2.gz GKGPFULLWUMSAS-ZWOKBUDYSA-N 2 2 309.457 3.876 20 0 DHADLP Cc1cccn2c(C[NH2+]CCc3ccc4ccccc4n3)c[nH+]c12 ZINC000343933994 335202928 /nfs/dbraw/zinc/20/29/28/335202928.db2.gz VGSKSVOOCHMINP-UHFFFAOYSA-N 2 2 316.408 3.523 20 0 DHADLP CCCN(CC[NH+]1CCCCCC1)Cc1[nH+]ccn1C(C)C ZINC000344018050 335209351 /nfs/dbraw/zinc/20/93/51/335209351.db2.gz FNBWHXWIHJZDMY-UHFFFAOYSA-N 2 2 306.498 3.552 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3ccc(F)cc31)CCC2 ZINC000344112627 335218049 /nfs/dbraw/zinc/21/80/49/335218049.db2.gz VHQUAWPUKBZVKD-QAPCUYQASA-N 2 2 313.420 3.875 20 0 DHADLP Cc1ccc(CC[C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000344171920 335227115 /nfs/dbraw/zinc/22/71/15/335227115.db2.gz AOVXCCFLSDGNOR-CYBMUJFWSA-N 2 2 315.442 3.946 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(C)c3ncccc3c1)CCC2 ZINC000344221698 335229912 /nfs/dbraw/zinc/22/99/12/335229912.db2.gz ZZNRAAKJWPXBTH-SFHVURJKSA-N 2 2 320.440 3.715 20 0 DHADLP CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000344335148 335241812 /nfs/dbraw/zinc/24/18/12/335241812.db2.gz RIIXAFBVSJMEEJ-GDBMZVCRSA-N 2 2 319.474 3.617 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000344334629 335241903 /nfs/dbraw/zinc/24/19/03/335241903.db2.gz SOTZSBHQXNGNPT-OAUYIBNBSA-N 2 2 320.864 3.626 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](C)CCc1ccccc1)CCC2 ZINC000344542055 335260460 /nfs/dbraw/zinc/26/04/60/335260460.db2.gz OHAXEBRPXGJQAD-QFBILLFUSA-N 2 2 311.473 3.927 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1cccc(CO)c1 ZINC000345170734 335304558 /nfs/dbraw/zinc/30/45/58/335304558.db2.gz IIXOODRCUPCJIN-XGHQBKJUSA-N 2 2 324.468 3.665 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cccc(CO)c1 ZINC000345170734 335304559 /nfs/dbraw/zinc/30/45/59/335304559.db2.gz IIXOODRCUPCJIN-XGHQBKJUSA-N 2 2 324.468 3.665 20 0 DHADLP COc1ccc2oc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2c1 ZINC000366892151 335311895 /nfs/dbraw/zinc/31/18/95/335311895.db2.gz YPXUBPUHACTTAO-UHFFFAOYSA-N 2 2 314.429 3.548 20 0 DHADLP CC[C@@H]1CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346128175 335376905 /nfs/dbraw/zinc/37/69/05/335376905.db2.gz DILCBVZQQPDRQP-CQSZACIVSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346128175 335376906 /nfs/dbraw/zinc/37/69/06/335376906.db2.gz DILCBVZQQPDRQP-CQSZACIVSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@@H]1CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000346128175 335376907 /nfs/dbraw/zinc/37/69/07/335376907.db2.gz DILCBVZQQPDRQP-CQSZACIVSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@@H]1CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000346128175 335376908 /nfs/dbraw/zinc/37/69/08/335376908.db2.gz DILCBVZQQPDRQP-CQSZACIVSA-N 2 2 307.507 3.532 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc2cccnc12 ZINC000346162728 335383940 /nfs/dbraw/zinc/38/39/40/335383940.db2.gz FBDMYYABLYAQMR-DNVCBOLYSA-N 2 2 320.440 3.823 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc2cccnc12 ZINC000346162728 335383941 /nfs/dbraw/zinc/38/39/41/335383941.db2.gz FBDMYYABLYAQMR-DNVCBOLYSA-N 2 2 320.440 3.823 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H](C)CC[C@@H]3C)sc2C1 ZINC000346233021 335386764 /nfs/dbraw/zinc/38/67/64/335386764.db2.gz ZCOPGGCDMSQAKX-KGLIPLIRSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@H](C)CC[C@@H]3C)sc2C1 ZINC000346233021 335386766 /nfs/dbraw/zinc/38/67/66/335386766.db2.gz ZCOPGGCDMSQAKX-KGLIPLIRSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@H](C)CC[C@@H]3C)sc2C1 ZINC000346233021 335386768 /nfs/dbraw/zinc/38/67/68/335386768.db2.gz ZCOPGGCDMSQAKX-KGLIPLIRSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCCC[C@@H]3C)sc2C1 ZINC000346186196 335387882 /nfs/dbraw/zinc/38/78/82/335387882.db2.gz YFFJXPVNFMRTSB-AWEZNQCLSA-N 2 2 307.507 3.674 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCCC[C@@H]3C)sc2C1 ZINC000346186196 335387883 /nfs/dbraw/zinc/38/78/83/335387883.db2.gz YFFJXPVNFMRTSB-AWEZNQCLSA-N 2 2 307.507 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCCC[C@@H]3C)sc2C1 ZINC000346186196 335387884 /nfs/dbraw/zinc/38/78/84/335387884.db2.gz YFFJXPVNFMRTSB-AWEZNQCLSA-N 2 2 307.507 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCCC[C@@H]3C)sc2C1 ZINC000346186196 335387885 /nfs/dbraw/zinc/38/78/85/335387885.db2.gz YFFJXPVNFMRTSB-AWEZNQCLSA-N 2 2 307.507 3.674 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346463598 335409761 /nfs/dbraw/zinc/40/97/61/335409761.db2.gz QATJCGSZTWLUKG-IBGZPJMESA-N 2 2 315.436 3.632 20 0 DHADLP Cc1nc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)s1 ZINC000346536159 335419450 /nfs/dbraw/zinc/41/94/50/335419450.db2.gz IVCFDVGFRFLJJT-LBPRGKRZSA-N 2 2 312.442 3.796 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCSCc1ccccc1F ZINC000347791052 335525459 /nfs/dbraw/zinc/52/54/59/335525459.db2.gz FVIHZNAMWRYZKI-UHFFFAOYSA-N 2 2 318.461 3.985 20 0 DHADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C1CCC(F)(F)CC1 ZINC000348832604 335616334 /nfs/dbraw/zinc/61/63/34/335616334.db2.gz JNZVGHQWCZPPSF-CYBMUJFWSA-N 2 2 320.387 3.952 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ncc(Cl)s1 ZINC000349569270 335681563 /nfs/dbraw/zinc/68/15/63/335681563.db2.gz OVWIVQFPRZXWMR-UHFFFAOYSA-N 2 2 320.849 3.635 20 0 DHADLP CC[N@H+](CCC1CC[NH+]([C@H](C)c2noc(C)n2)CC1)CC(C)C ZINC000351582793 336046836 /nfs/dbraw/zinc/04/68/36/336046836.db2.gz RAUZPBMRHMAHAN-OAHLLOKOSA-N 2 2 322.497 3.519 20 0 DHADLP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2noc(C)n2)CC1)CC(C)C ZINC000351582793 336046838 /nfs/dbraw/zinc/04/68/38/336046838.db2.gz RAUZPBMRHMAHAN-OAHLLOKOSA-N 2 2 322.497 3.519 20 0 DHADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000352240230 336205828 /nfs/dbraw/zinc/20/58/28/336205828.db2.gz FMFPKJYRBYALSW-SJLPKXTDSA-N 2 2 313.445 3.755 20 0 DHADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000352240230 336205829 /nfs/dbraw/zinc/20/58/29/336205829.db2.gz FMFPKJYRBYALSW-SJLPKXTDSA-N 2 2 313.445 3.755 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000352454514 336220089 /nfs/dbraw/zinc/22/00/89/336220089.db2.gz UULPPDWFYIVYIO-LBPRGKRZSA-N 2 2 307.850 3.640 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000352540305 336223344 /nfs/dbraw/zinc/22/33/44/336223344.db2.gz JKWMFCGOKBKSBX-ZDUSSCGKSA-N 2 2 304.331 3.548 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000352540305 336223345 /nfs/dbraw/zinc/22/33/45/336223345.db2.gz JKWMFCGOKBKSBX-ZDUSSCGKSA-N 2 2 304.331 3.548 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCc3ccc(F)cc32)s1 ZINC000352714500 336231925 /nfs/dbraw/zinc/23/19/25/336231925.db2.gz WVAWSWQKXNZOBB-INIZCTEOSA-N 2 2 319.449 3.511 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccccc3)CCCC2)s1 ZINC000352758701 336235390 /nfs/dbraw/zinc/23/53/90/336235390.db2.gz HVZIBQWNQQEFBJ-UHFFFAOYSA-N 2 2 315.486 3.764 20 0 DHADLP FC1=CCC[NH+](Cc2ccccc2C[N@H+]2CCC=C(F)C2)C1 ZINC000352784301 336236399 /nfs/dbraw/zinc/23/63/99/336236399.db2.gz NUJYCARGTZMSCR-UHFFFAOYSA-N 2 2 304.384 3.805 20 0 DHADLP FC1=CCC[NH+](Cc2ccccc2C[N@@H+]2CCC=C(F)C2)C1 ZINC000352784301 336236400 /nfs/dbraw/zinc/23/64/00/336236400.db2.gz NUJYCARGTZMSCR-UHFFFAOYSA-N 2 2 304.384 3.805 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3SCCc4ccccc43)n2c1 ZINC000532496145 336250907 /nfs/dbraw/zinc/25/09/07/336250907.db2.gz BNJXZCDSQZTHLT-GOSISDBHSA-N 2 2 323.465 3.763 20 0 DHADLP Cc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000580355210 336259947 /nfs/dbraw/zinc/25/99/47/336259947.db2.gz HSYCJIQXBVCBMR-OAQYLSRUSA-N 2 2 321.468 3.632 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000192845908 336268007 /nfs/dbraw/zinc/26/80/07/336268007.db2.gz IHGFPLSCLQUCSY-QFBILLFUSA-N 2 2 310.441 3.707 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000192845908 336268008 /nfs/dbraw/zinc/26/80/08/336268008.db2.gz IHGFPLSCLQUCSY-QFBILLFUSA-N 2 2 310.441 3.707 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCCn1cc[nH+]c1 ZINC000352831139 336268769 /nfs/dbraw/zinc/26/87/69/336268769.db2.gz CBSLAMMYCWVUTH-KAMYIIQDSA-N 2 2 321.371 3.568 20 0 DHADLP C[NH+](C)[C@H](CNc1cc[nH+]c(C(C)(C)C)n1)c1cccc(F)c1 ZINC000301514130 336311821 /nfs/dbraw/zinc/31/18/21/336311821.db2.gz JGJYJQMKHKHDHT-OAHLLOKOSA-N 2 2 316.424 3.628 20 0 DHADLP C[C@@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000301559341 336314871 /nfs/dbraw/zinc/31/48/71/336314871.db2.gz UDCHXCHGPIDMNT-QAPCUYQASA-N 2 2 322.456 3.819 20 0 DHADLP C[C@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000301559343 336314888 /nfs/dbraw/zinc/31/48/88/336314888.db2.gz UDCHXCHGPIDMNT-YJBOKZPZSA-N 2 2 322.456 3.819 20 0 DHADLP Cc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2cccc(F)c2[nH+]1 ZINC000301660073 336321481 /nfs/dbraw/zinc/32/14/81/336321481.db2.gz JEQKPZNLPYXISF-UGSOOPFHSA-N 2 2 324.403 3.966 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000301731015 336326160 /nfs/dbraw/zinc/32/61/60/336326160.db2.gz SJYCZPRFCARIHT-KDOFPFPSSA-N 2 2 306.413 3.827 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc(C)[nH+]c(C)n2)cc1 ZINC000301748224 336327444 /nfs/dbraw/zinc/32/74/44/336327444.db2.gz RTMVQVAIPDVOGI-CYBMUJFWSA-N 2 2 307.401 3.761 20 0 DHADLP Clc1ccc2[nH+]ccc(N[C@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000301778132 336329162 /nfs/dbraw/zinc/32/91/62/336329162.db2.gz PTNPHVPXXABVTJ-AWEZNQCLSA-N 2 2 324.815 3.974 20 0 DHADLP CC(C)c1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)nc(C(C)C)[nH+]1 ZINC000301846528 336333760 /nfs/dbraw/zinc/33/37/60/336333760.db2.gz AXUHXMQJTYDVEZ-NVXWUHKLSA-N 2 2 316.493 3.644 20 0 DHADLP CC(C)c1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nc(C(C)C)[nH+]1 ZINC000301846528 336333761 /nfs/dbraw/zinc/33/37/61/336333761.db2.gz AXUHXMQJTYDVEZ-NVXWUHKLSA-N 2 2 316.493 3.644 20 0 DHADLP COc1cccc2c(NCCc3ccc(C)[nH+]c3)c(C)c[nH+]c12 ZINC000302666048 336364014 /nfs/dbraw/zinc/36/40/14/336364014.db2.gz QCJLZKJXUZYEAD-UHFFFAOYSA-N 2 2 307.397 3.910 20 0 DHADLP Fc1ccc2c(NCCc3cn4c([nH+]3)CCCC4)cc[nH+]c2c1 ZINC000302695347 336365200 /nfs/dbraw/zinc/36/52/00/336365200.db2.gz WEMNWSYVYCBWJD-UHFFFAOYSA-N 2 2 310.376 3.561 20 0 DHADLP CC(C)c1nc(N2CCC([NH2+]C3CC3)CC2)cc(C(C)(C)C)[nH+]1 ZINC000302756352 336367938 /nfs/dbraw/zinc/36/79/38/336367938.db2.gz ITKYHHOENKJPHX-UHFFFAOYSA-N 2 2 316.493 3.618 20 0 DHADLP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000302834469 336371410 /nfs/dbraw/zinc/37/14/10/336371410.db2.gz TYFVSRSCGWDOSD-WBVHZDCISA-N 2 2 303.356 3.526 20 0 DHADLP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000302834469 336371411 /nfs/dbraw/zinc/37/14/11/336371411.db2.gz TYFVSRSCGWDOSD-WBVHZDCISA-N 2 2 303.356 3.526 20 0 DHADLP Fc1ccc(C2=CC[C@@H]([NH2+][C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000352969622 336380229 /nfs/dbraw/zinc/38/02/29/336380229.db2.gz SIDHXFVPHQIUTK-MSOLQXFVSA-N 2 2 300.421 3.588 20 0 DHADLP Fc1ccc(C2=CC[C@@H]([NH2+][C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000352969622 336380230 /nfs/dbraw/zinc/38/02/30/336380230.db2.gz SIDHXFVPHQIUTK-MSOLQXFVSA-N 2 2 300.421 3.588 20 0 DHADLP Oc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563957288 336388350 /nfs/dbraw/zinc/38/83/50/336388350.db2.gz KUHPZMDKIAKYGI-IBGZPJMESA-N 2 2 322.452 3.679 20 0 DHADLP Oc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563957288 336388351 /nfs/dbraw/zinc/38/83/51/336388351.db2.gz KUHPZMDKIAKYGI-IBGZPJMESA-N 2 2 322.452 3.679 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(C(F)(F)F)CC2)n1-c1ccccc1 ZINC000353044196 336389446 /nfs/dbraw/zinc/38/94/46/336389446.db2.gz FDARJOSWFWXFOO-UHFFFAOYSA-N 2 2 309.335 3.613 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC000354167533 336461991 /nfs/dbraw/zinc/46/19/91/336461991.db2.gz XSWHEUKFUAXCJU-UHFFFAOYSA-N 3 2 323.484 3.708 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2csc(-c3ccco3)n2)c[nH+]1 ZINC000354487846 336472707 /nfs/dbraw/zinc/47/27/07/336472707.db2.gz CSKJIMVPNBFCGD-UHFFFAOYSA-N 2 2 313.426 3.829 20 0 DHADLP COCC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccc(C)o1 ZINC000354633684 336477180 /nfs/dbraw/zinc/47/71/80/336477180.db2.gz IZNAPFMOWGMXIJ-QGZVFWFLSA-N 2 2 302.418 3.591 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H]2CCCOc3c(F)cccc32)c[nH+]1 ZINC000354643186 336477558 /nfs/dbraw/zinc/47/75/58/336477558.db2.gz AOSVCNZFRAJDFT-SFHVURJKSA-N 2 2 314.404 3.965 20 0 DHADLP Cc1ccc(CCC[NH2+]CC2CCN(c3ccccc3)CC2)c[nH+]1 ZINC000355212297 336498943 /nfs/dbraw/zinc/49/89/43/336498943.db2.gz CRQYHJJALGCJFO-UHFFFAOYSA-N 2 2 323.484 3.829 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)CCC2 ZINC000359325163 336667756 /nfs/dbraw/zinc/66/77/56/336667756.db2.gz SAEZSNYMVLKGIN-FUHWJXTLSA-N 2 2 313.420 3.949 20 0 DHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2ccsc2Cl)ccc1F ZINC000359724889 336685250 /nfs/dbraw/zinc/68/52/50/336685250.db2.gz VKJBTZWUHYYXKK-UHFFFAOYSA-N 2 2 312.841 3.892 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000361443367 336756851 /nfs/dbraw/zinc/75/68/51/336756851.db2.gz RIWKISRLKHBBRT-UHFFFAOYSA-N 2 2 304.400 3.716 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Cl)cc1C)CCC2 ZINC000361744683 336771039 /nfs/dbraw/zinc/77/10/39/336771039.db2.gz NBCGZYRBJYMNOA-OAHLLOKOSA-N 2 2 303.837 3.821 20 0 DHADLP CC1(C)C[C@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c2ccccc21 ZINC000362801528 336811988 /nfs/dbraw/zinc/81/19/88/336811988.db2.gz GTEHPHKRNURCAM-SFHVURJKSA-N 2 2 318.424 3.780 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1ccccc1C)C1CC1)CCC2 ZINC000367436255 336822673 /nfs/dbraw/zinc/82/26/73/336822673.db2.gz FAYBJQFYDIGJQP-PMACEKPBSA-N 2 2 323.484 3.988 20 0 DHADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(C)ccc1OC ZINC000367439835 336822679 /nfs/dbraw/zinc/82/26/79/336822679.db2.gz XMGBELVQTFPDIY-KRWDZBQOSA-N 2 2 313.445 3.777 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCC(C)CC3)CC2)no1 ZINC000368112642 336838614 /nfs/dbraw/zinc/83/86/14/336838614.db2.gz MKENCUUIBIUAOE-GNHJJJEISA-N 2 2 305.466 3.677 20 0 DHADLP Fc1ccc(C=C2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1F ZINC000369569746 336867530 /nfs/dbraw/zinc/86/75/30/336867530.db2.gz ZYYZEZFODHGAMY-UHFFFAOYSA-N 2 2 317.383 3.731 20 0 DHADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000370682567 336891061 /nfs/dbraw/zinc/89/10/61/336891061.db2.gz PWDCAJSMYUVELG-CVEARBPZSA-N 2 2 313.445 3.737 20 0 DHADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000582427466 336973597 /nfs/dbraw/zinc/97/35/97/336973597.db2.gz XDPIWHQVMPOOML-LZQZEXGQSA-N 2 2 302.462 3.610 20 0 DHADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000374578483 336992890 /nfs/dbraw/zinc/99/28/90/336992890.db2.gz VFKVUODAPMSXHJ-RTBURBONSA-N 2 2 311.473 3.988 20 0 DHADLP Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375264838 337006889 /nfs/dbraw/zinc/00/68/89/337006889.db2.gz CUIWLYJSPLHZBM-HNNXBMFYSA-N 2 2 317.433 3.685 20 0 DHADLP C[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)[C@H]1C[C@@H]1c1cccs1 ZINC000375324717 337008166 /nfs/dbraw/zinc/00/81/66/337008166.db2.gz VJMZTLFNTOGEOK-BMFZPTHFSA-N 2 2 324.453 3.611 20 0 DHADLP COCCC1(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000375351146 337008789 /nfs/dbraw/zinc/00/87/89/337008789.db2.gz AXPFLMGCKTVVHE-GOSISDBHSA-N 2 2 308.510 3.534 20 0 DHADLP COCCC1(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000375351146 337008790 /nfs/dbraw/zinc/00/87/90/337008790.db2.gz AXPFLMGCKTVVHE-GOSISDBHSA-N 2 2 308.510 3.534 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(-c2[nH+]ccn2C)c1)c1cccc(O)c1 ZINC000375584679 337013871 /nfs/dbraw/zinc/01/38/71/337013871.db2.gz RKYDCUXPQJEFNA-AWEZNQCLSA-N 2 2 307.397 3.644 20 0 DHADLP FC(F)(F)SCC[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000376535139 337036117 /nfs/dbraw/zinc/03/61/17/337036117.db2.gz KZTHELFJBVYYKP-UHFFFAOYSA-N 2 2 324.437 3.555 20 0 DHADLP c1nc(-c2ccccc2)sc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376717815 337039945 /nfs/dbraw/zinc/03/99/45/337039945.db2.gz SUIWCYDXEKXTBL-UHFFFAOYSA-N 2 2 324.453 3.633 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376729436 337040068 /nfs/dbraw/zinc/04/00/68/337040068.db2.gz PYWZLFNILDVSKQ-CYBMUJFWSA-N 2 2 303.837 3.594 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@H](C2CC2)[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000376858682 337042865 /nfs/dbraw/zinc/04/28/65/337042865.db2.gz KUIHOEWSPWIGAR-ORYQWCPZSA-N 2 2 321.468 3.785 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@H](C2CC2)[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000376858682 337042866 /nfs/dbraw/zinc/04/28/66/337042866.db2.gz KUIHOEWSPWIGAR-ORYQWCPZSA-N 2 2 321.468 3.785 20 0 DHADLP CCc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000376965745 337044334 /nfs/dbraw/zinc/04/43/34/337044334.db2.gz BHQGIANITZMRIT-SFTDATJTSA-N 2 2 323.484 3.769 20 0 DHADLP CCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000376965745 337044335 /nfs/dbraw/zinc/04/43/35/337044335.db2.gz BHQGIANITZMRIT-SFTDATJTSA-N 2 2 323.484 3.769 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000376965745 337044336 /nfs/dbraw/zinc/04/43/36/337044336.db2.gz BHQGIANITZMRIT-SFTDATJTSA-N 2 2 323.484 3.769 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000376965745 337044337 /nfs/dbraw/zinc/04/43/37/337044337.db2.gz BHQGIANITZMRIT-SFTDATJTSA-N 2 2 323.484 3.769 20 0 DHADLP Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)no1 ZINC000377014382 337045454 /nfs/dbraw/zinc/04/54/54/337045454.db2.gz MMWNMQAETORXGK-IBGZPJMESA-N 2 2 322.412 3.814 20 0 DHADLP Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)no1 ZINC000377014382 337045455 /nfs/dbraw/zinc/04/54/55/337045455.db2.gz MMWNMQAETORXGK-IBGZPJMESA-N 2 2 322.412 3.814 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000377632990 337057049 /nfs/dbraw/zinc/05/70/49/337057049.db2.gz YSKOXGALIKLELZ-KDOFPFPSSA-N 2 2 321.428 3.802 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000377632990 337057050 /nfs/dbraw/zinc/05/70/50/337057050.db2.gz YSKOXGALIKLELZ-KDOFPFPSSA-N 2 2 321.428 3.802 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+]Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000378391884 337071577 /nfs/dbraw/zinc/07/15/77/337071577.db2.gz DTYHTXUCZWLETL-OAHLLOKOSA-N 2 2 309.413 3.791 20 0 DHADLP CC(C)(C)c1nc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)cs1 ZINC000360023477 337084006 /nfs/dbraw/zinc/08/40/06/337084006.db2.gz SBBROWLSAUMSQG-UHFFFAOYSA-N 2 2 304.463 3.543 20 0 DHADLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000172156363 337090126 /nfs/dbraw/zinc/09/01/26/337090126.db2.gz PCGPBEMLQBIOPF-UHFFFAOYSA-N 2 2 320.440 3.650 20 0 DHADLP CCO[C@H]1C[C@@H]([NH2+]CCCc2c[nH+]ccc2C)C12CCCC2 ZINC000582513676 337099754 /nfs/dbraw/zinc/09/97/54/337099754.db2.gz NXMXUAIXERJZKQ-MSOLQXFVSA-N 2 2 302.462 3.650 20 0 DHADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000582644615 337119935 /nfs/dbraw/zinc/11/99/35/337119935.db2.gz LQXATVFPHNHDAX-PMACEKPBSA-N 2 2 324.468 3.965 20 0 DHADLP COc1cccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000177207971 337154716 /nfs/dbraw/zinc/15/47/16/337154716.db2.gz JWOJRICPGBDFRL-MRXNPFEDSA-N 2 2 321.424 3.791 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000177346596 337157155 /nfs/dbraw/zinc/15/71/55/337157155.db2.gz MMDAFDHJYWODAZ-UWVAXJGDSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000177346596 337157156 /nfs/dbraw/zinc/15/71/56/337157156.db2.gz MMDAFDHJYWODAZ-UWVAXJGDSA-N 2 2 315.505 3.850 20 0 DHADLP c1coc([C@@H]([NH2+]Cc2cccc3[nH+]ccn32)c2ccccc2)c1 ZINC000179415772 337167768 /nfs/dbraw/zinc/16/77/68/337167768.db2.gz CODIPTGTXDDJRR-IBGZPJMESA-N 2 2 303.365 3.807 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(C)o1 ZINC000180161458 337175084 /nfs/dbraw/zinc/17/50/84/337175084.db2.gz DEMAPCGADFHXHM-LBPRGKRZSA-N 2 2 318.383 3.964 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000182089097 337184397 /nfs/dbraw/zinc/18/43/97/337184397.db2.gz KPSVXIRKXGOIDI-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000182089097 337184398 /nfs/dbraw/zinc/18/43/98/337184398.db2.gz KPSVXIRKXGOIDI-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP CC(C)c1cnc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000183124625 337190046 /nfs/dbraw/zinc/19/00/46/337190046.db2.gz LJUZICBEJXJDGR-KGLIPLIRSA-N 2 2 304.463 3.546 20 0 DHADLP CC(C)c1cnc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000183124625 337190047 /nfs/dbraw/zinc/19/00/47/337190047.db2.gz LJUZICBEJXJDGR-KGLIPLIRSA-N 2 2 304.463 3.546 20 0 DHADLP c1cn(CCC[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)c[nH+]1 ZINC000182939855 337190802 /nfs/dbraw/zinc/19/08/02/337190802.db2.gz FKRHGEJJZHNFEK-UHFFFAOYSA-N 2 2 307.397 3.592 20 0 DHADLP c1cn(CCC[N@H+]2CCc3cc(-c4ccccc4)oc3C2)c[nH+]1 ZINC000182939855 337190803 /nfs/dbraw/zinc/19/08/03/337190803.db2.gz FKRHGEJJZHNFEK-UHFFFAOYSA-N 2 2 307.397 3.592 20 0 DHADLP C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183999437 337194482 /nfs/dbraw/zinc/19/44/82/337194482.db2.gz KQVYJEAETPKFDB-QFBILLFUSA-N 2 2 313.445 3.872 20 0 DHADLP Cn1c2ccc(F)cc2[nH+]c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000184257002 337197539 /nfs/dbraw/zinc/19/75/39/337197539.db2.gz JVLBGZXEICATAC-UHFFFAOYSA-N 2 2 321.359 3.510 20 0 DHADLP C[C@@H]1CC[N@H+](CCC(Cl)(Cl)Cl)C[C@@H]1n1cc[nH+]c1 ZINC000184677294 337199867 /nfs/dbraw/zinc/19/98/67/337199867.db2.gz KFEGRBPKZMJCMS-MNOVXSKESA-N 2 2 310.656 3.526 20 0 DHADLP C[C@@H]1CC[N@@H+](CCC(Cl)(Cl)Cl)C[C@@H]1n1cc[nH+]c1 ZINC000184677294 337199868 /nfs/dbraw/zinc/19/98/68/337199868.db2.gz KFEGRBPKZMJCMS-MNOVXSKESA-N 2 2 310.656 3.526 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1sccc1Br ZINC000582839288 337207515 /nfs/dbraw/zinc/20/75/15/337207515.db2.gz OUOXVQINZXESHU-VHSXEESVSA-N 2 2 305.285 3.679 20 0 DHADLP CC(C)CSCCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000582978628 337222355 /nfs/dbraw/zinc/22/23/55/337222355.db2.gz OAYIDMQMVZJPPV-ROUUACIJSA-N 2 2 306.519 3.801 20 0 DHADLP CC(C)CSCCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000582978628 337222356 /nfs/dbraw/zinc/22/23/56/337222356.db2.gz OAYIDMQMVZJPPV-ROUUACIJSA-N 2 2 306.519 3.801 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(O)cc(F)c2)C1 ZINC000186199009 337254398 /nfs/dbraw/zinc/25/43/98/337254398.db2.gz JKWRYTWHGZHMAW-JKSUJKDBSA-N 2 2 320.452 3.618 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(O)cc(F)c2)C1 ZINC000186199009 337254399 /nfs/dbraw/zinc/25/43/99/337254399.db2.gz JKWRYTWHGZHMAW-JKSUJKDBSA-N 2 2 320.452 3.618 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186199009 337254400 /nfs/dbraw/zinc/25/44/00/337254400.db2.gz JKWRYTWHGZHMAW-JKSUJKDBSA-N 2 2 320.452 3.618 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186199009 337254401 /nfs/dbraw/zinc/25/44/01/337254401.db2.gz JKWRYTWHGZHMAW-JKSUJKDBSA-N 2 2 320.452 3.618 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)C1CCSCC1 ZINC000186927223 337260411 /nfs/dbraw/zinc/26/04/11/337260411.db2.gz REISOMVRBNILBC-AWEZNQCLSA-N 2 2 317.502 3.856 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C(C)C)C1CCOCC1 ZINC000192109408 337302867 /nfs/dbraw/zinc/30/28/67/337302867.db2.gz IWXIXJBZVLOJMQ-UHFFFAOYSA-N 2 2 313.445 3.570 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C(C)C)C1CCOCC1 ZINC000192109408 337302868 /nfs/dbraw/zinc/30/28/68/337302868.db2.gz IWXIXJBZVLOJMQ-UHFFFAOYSA-N 2 2 313.445 3.570 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000192194031 337304002 /nfs/dbraw/zinc/30/40/02/337304002.db2.gz LHHCFFKGBGVVSC-QGZVFWFLSA-N 2 2 313.445 3.616 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290378 337307272 /nfs/dbraw/zinc/30/72/72/337307272.db2.gz UDZHZPZCPDVQAM-PBHICJAKSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290378 337307273 /nfs/dbraw/zinc/30/72/73/337307273.db2.gz UDZHZPZCPDVQAM-PBHICJAKSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290378 337307274 /nfs/dbraw/zinc/30/72/74/337307274.db2.gz UDZHZPZCPDVQAM-PBHICJAKSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290378 337307275 /nfs/dbraw/zinc/30/72/75/337307275.db2.gz UDZHZPZCPDVQAM-PBHICJAKSA-N 2 2 315.486 3.582 20 0 DHADLP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000583823690 337337149 /nfs/dbraw/zinc/33/71/49/337337149.db2.gz DZAKCCJOMHEHLV-GOSISDBHSA-N 2 2 315.505 3.995 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000583839142 337340837 /nfs/dbraw/zinc/34/08/37/337340837.db2.gz VEKAURKWMXBKLK-YLJYHZDGSA-N 2 2 310.441 3.785 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000583839142 337340838 /nfs/dbraw/zinc/34/08/38/337340838.db2.gz VEKAURKWMXBKLK-YLJYHZDGSA-N 2 2 310.441 3.785 20 0 DHADLP COC[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CCCC1 ZINC000527101100 337469976 /nfs/dbraw/zinc/46/99/76/337469976.db2.gz ANBIEUKVKIWHPZ-QFBILLFUSA-N 2 2 318.505 3.911 20 0 DHADLP CC1(C)C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c2cc(N)ccc2O1 ZINC000572234685 337599500 /nfs/dbraw/zinc/59/95/00/337599500.db2.gz YLTXSPLOMRYZES-KURKYZTESA-N 2 2 323.440 3.605 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000572292148 337606425 /nfs/dbraw/zinc/60/64/25/337606425.db2.gz SPNJIRWRLBAKBO-JHVJFLLYSA-N 2 2 319.452 3.827 20 0 DHADLP CC(C)COc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422730750 337684596 /nfs/dbraw/zinc/68/45/96/337684596.db2.gz FPYCFCNDRFTOBM-RTBURBONSA-N 2 2 310.441 3.956 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)cc2)cs1 ZINC000422808015 337687541 /nfs/dbraw/zinc/68/75/41/337687541.db2.gz PRINSDFRSUNLIG-GDZNZVCISA-N 2 2 315.486 3.910 20 0 DHADLP CSCc1cc(F)ccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422862479 337689135 /nfs/dbraw/zinc/68/91/35/337689135.db2.gz KKDJBYRWRLRPCZ-MSOLQXFVSA-N 2 2 316.445 3.923 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1COCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422867707 337689322 /nfs/dbraw/zinc/68/93/22/337689322.db2.gz SZLJHLGOSXNPCI-DYESRHJHSA-N 2 2 324.468 3.634 20 0 DHADLP c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CCC3)cc1 ZINC000423182262 337702668 /nfs/dbraw/zinc/70/26/68/337702668.db2.gz GPJSDKGQPXQMRM-HUUCEWRRSA-N 2 2 313.470 3.529 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1OCc1ccccc1 ZINC000423329562 337712227 /nfs/dbraw/zinc/71/22/27/337712227.db2.gz SZSZZZQTPMXHFW-DNVCBOLYSA-N 2 2 310.441 3.654 20 0 DHADLP [NH3+][C@H](C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CC1 ZINC000423326783 337715377 /nfs/dbraw/zinc/71/53/77/337715377.db2.gz RCXJMHDNZMKVCQ-MSOLQXFVSA-N 2 2 318.823 3.895 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423379383 337717574 /nfs/dbraw/zinc/71/75/74/337717574.db2.gz LUYGTQGSIRUQIS-MNOVXSKESA-N 2 2 309.504 3.829 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423381616 337717702 /nfs/dbraw/zinc/71/77/02/337717702.db2.gz IDPYCXROXYUSSK-RDTXWAMCSA-N 2 2 317.864 3.606 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1csc(-c2ccccc2F)n1 ZINC000423387060 337718034 /nfs/dbraw/zinc/71/80/34/337718034.db2.gz HJJIIUPTEVIOGM-XUJVJEKNSA-N 2 2 319.449 3.598 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000423390065 337718215 /nfs/dbraw/zinc/71/82/15/337718215.db2.gz VQXDBMQRGSDSRT-IPYPFGDCSA-N 2 2 301.459 3.601 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000423392302 337718322 /nfs/dbraw/zinc/71/83/22/337718322.db2.gz QAYPESKDFKHBCS-IAQYHMDHSA-N 2 2 316.367 3.624 20 0 DHADLP COc1cccc([C@H](C[NH2+][C@H](C)[C@H]2CC23CC3)[NH+]2CCCC2)c1 ZINC000527844035 337768236 /nfs/dbraw/zinc/76/82/36/337768236.db2.gz GZIKFDLZCFKLCT-LZQZEXGQSA-N 2 2 314.473 3.610 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000424372172 337827813 /nfs/dbraw/zinc/82/78/13/337827813.db2.gz HIKXRILVHVNZPY-OASPWFOLSA-N 2 2 318.795 3.862 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)s1 ZINC000119885661 337867416 /nfs/dbraw/zinc/86/74/16/337867416.db2.gz XLGJNKZTTNLGGT-UPJWGTAASA-N 2 2 316.898 3.551 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000428327345 338047467 /nfs/dbraw/zinc/04/74/67/338047467.db2.gz SPLSAICQYKLDEL-HOCLYGCPSA-N 2 2 319.493 3.678 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000428327345 338047468 /nfs/dbraw/zinc/04/74/68/338047468.db2.gz SPLSAICQYKLDEL-HOCLYGCPSA-N 2 2 319.493 3.678 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc2O1 ZINC000429156400 338072158 /nfs/dbraw/zinc/07/21/58/338072158.db2.gz RFHBEVBLUJXAPS-MRXNPFEDSA-N 2 2 319.408 3.655 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc2O1 ZINC000429156400 338072159 /nfs/dbraw/zinc/07/21/59/338072159.db2.gz RFHBEVBLUJXAPS-MRXNPFEDSA-N 2 2 319.408 3.655 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CCC1 ZINC000429433594 338080729 /nfs/dbraw/zinc/08/07/29/338080729.db2.gz QRFKSCWULDGIMI-BQFCYCMXSA-N 2 2 304.478 3.615 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000429432021 338080787 /nfs/dbraw/zinc/08/07/87/338080787.db2.gz CWSAJQKROLUSNB-YQVWRLOYSA-N 2 2 316.489 3.587 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000429432021 338080788 /nfs/dbraw/zinc/08/07/88/338080788.db2.gz CWSAJQKROLUSNB-YQVWRLOYSA-N 2 2 316.489 3.587 20 0 DHADLP COC1(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000429515585 338082750 /nfs/dbraw/zinc/08/27/50/338082750.db2.gz NUAYYGJJTNDINM-HKUYNNGSSA-N 2 2 316.489 3.588 20 0 DHADLP COC1(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000429515585 338082751 /nfs/dbraw/zinc/08/27/51/338082751.db2.gz NUAYYGJJTNDINM-HKUYNNGSSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000430040764 338094303 /nfs/dbraw/zinc/09/43/03/338094303.db2.gz JZGFMGRFZGXMLP-INMHGKMJSA-N 2 2 308.416 3.847 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000430040764 338094304 /nfs/dbraw/zinc/09/43/04/338094304.db2.gz JZGFMGRFZGXMLP-INMHGKMJSA-N 2 2 308.416 3.847 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000430225081 338102155 /nfs/dbraw/zinc/10/21/55/338102155.db2.gz IUVFTEUWTRMJCW-OXQOHEQNSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000430225081 338102156 /nfs/dbraw/zinc/10/21/56/338102156.db2.gz IUVFTEUWTRMJCW-OXQOHEQNSA-N 2 2 309.457 3.845 20 0 DHADLP CCC[N@H+](Cc1ncc(-c2ccc(C)cc2)o1)C1CC[NH2+]CC1 ZINC000431072877 338121754 /nfs/dbraw/zinc/12/17/54/338121754.db2.gz UXPVGZYGGDUSCK-UHFFFAOYSA-N 2 2 313.445 3.614 20 0 DHADLP CCC[N@@H+](Cc1ncc(-c2ccc(C)cc2)o1)C1CC[NH2+]CC1 ZINC000431072877 338121755 /nfs/dbraw/zinc/12/17/55/338121755.db2.gz UXPVGZYGGDUSCK-UHFFFAOYSA-N 2 2 313.445 3.614 20 0 DHADLP Clc1ccc(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000431148417 338124143 /nfs/dbraw/zinc/12/41/43/338124143.db2.gz GQTDWJJLCBZOTK-GOSISDBHSA-N 2 2 316.832 3.821 20 0 DHADLP Clc1ccc(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000431148417 338124144 /nfs/dbraw/zinc/12/41/44/338124144.db2.gz GQTDWJJLCBZOTK-GOSISDBHSA-N 2 2 316.832 3.821 20 0 DHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000431403442 338129921 /nfs/dbraw/zinc/12/99/21/338129921.db2.gz MHDUJYWWOFGHMJ-SJLPKXTDSA-N 2 2 324.403 3.570 20 0 DHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000431403442 338129922 /nfs/dbraw/zinc/12/99/22/338129922.db2.gz MHDUJYWWOFGHMJ-SJLPKXTDSA-N 2 2 324.403 3.570 20 0 DHADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432230274 338149283 /nfs/dbraw/zinc/14/92/83/338149283.db2.gz ZVUHXGPMHQLQKQ-LLVKDONJSA-N 2 2 319.251 3.954 20 0 DHADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432230274 338149284 /nfs/dbraw/zinc/14/92/84/338149284.db2.gz ZVUHXGPMHQLQKQ-LLVKDONJSA-N 2 2 319.251 3.954 20 0 DHADLP COc1ccc([C@@H](C[NH2+]C2CC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000433182088 338184602 /nfs/dbraw/zinc/18/46/02/338184602.db2.gz ZMPAFISUTNKIID-GOSISDBHSA-N 2 2 302.462 3.610 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+]C2CC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000433245154 338187686 /nfs/dbraw/zinc/18/76/86/338187686.db2.gz IMRLQBJRWQLHKO-INIZCTEOSA-N 2 2 316.489 3.665 20 0 DHADLP Cc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1cc(C)ccc1C ZINC000434665245 338222863 /nfs/dbraw/zinc/22/28/63/338222863.db2.gz ZJQMUFDGBFVCED-UHFFFAOYSA-N 2 2 315.486 3.658 20 0 DHADLP Fc1cccc2[nH]c(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)cc21 ZINC000436287653 338266225 /nfs/dbraw/zinc/26/62/25/338266225.db2.gz JGYLEAMWYZWCKK-UHFFFAOYSA-N 2 2 320.371 3.783 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+]CC[C@H]2CCOC2)c2cccs2)CC1 ZINC000438073857 338329956 /nfs/dbraw/zinc/32/99/56/338329956.db2.gz NVZSQEXFGFNIBU-DLBZAZTESA-N 2 2 322.518 3.537 20 0 DHADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCCCCOc1ccccc1 ZINC000438086074 338330504 /nfs/dbraw/zinc/33/05/04/338330504.db2.gz RPJKFIZGKFVNGJ-SFHVURJKSA-N 2 2 304.478 3.700 20 0 DHADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCCCCOc1ccccc1 ZINC000438086073 338330548 /nfs/dbraw/zinc/33/05/48/338330548.db2.gz RPJKFIZGKFVNGJ-GOSISDBHSA-N 2 2 304.478 3.700 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000438090873 338331048 /nfs/dbraw/zinc/33/10/48/338331048.db2.gz CSOXSTYKLNHDLH-QFBILLFUSA-N 2 2 314.448 3.519 20 0 DHADLP Fc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000438126418 338333624 /nfs/dbraw/zinc/33/36/24/338333624.db2.gz YONVFFOEKOHEJY-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000438126418 338333625 /nfs/dbraw/zinc/33/36/25/338333625.db2.gz YONVFFOEKOHEJY-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000438126418 338333626 /nfs/dbraw/zinc/33/36/26/338333626.db2.gz YONVFFOEKOHEJY-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000438126418 338333627 /nfs/dbraw/zinc/33/36/27/338333627.db2.gz YONVFFOEKOHEJY-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000438196352 338336200 /nfs/dbraw/zinc/33/62/00/338336200.db2.gz AQGSTFNESMEQFQ-MGPQQGTHSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000438196352 338336201 /nfs/dbraw/zinc/33/62/01/338336201.db2.gz AQGSTFNESMEQFQ-MGPQQGTHSA-N 2 2 304.400 3.714 20 0 DHADLP CC(C)[C@H]1C[C@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)c2ccccc21 ZINC000447589506 338560018 /nfs/dbraw/zinc/56/00/18/338560018.db2.gz XZQGFLGIALIKLF-AHRSYUTCSA-N 2 2 316.489 3.571 20 0 DHADLP C[C@H](C[NH2+]CCCc1[nH+]c2ccccc2n1C)c1ccccc1 ZINC000194564252 338565987 /nfs/dbraw/zinc/56/59/87/338565987.db2.gz IQTSEGGLDJNLDL-MRXNPFEDSA-N 2 2 307.441 3.899 20 0 DHADLP COc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc2ccccc21 ZINC000449032582 338585852 /nfs/dbraw/zinc/58/58/52/338585852.db2.gz AKHJOZOSWCQOSX-UHFFFAOYSA-N 2 2 321.424 3.951 20 0 DHADLP COc1cc2ccccc2cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000449297377 338610661 /nfs/dbraw/zinc/61/06/61/338610661.db2.gz GALOHHISYILPEX-UHFFFAOYSA-N 2 2 324.468 3.955 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CSC[C@H]3C)ccc2n1C1CC1 ZINC000449309866 338611639 /nfs/dbraw/zinc/61/16/39/338611639.db2.gz FNKBHMAVAGZNPI-WBMJQRKESA-N 2 2 315.486 3.775 20 0 DHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449556159 338637152 /nfs/dbraw/zinc/63/71/52/338637152.db2.gz LAMGYWBCMBKCSR-STQMWFEESA-N 2 2 302.384 3.566 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000451185547 338725066 /nfs/dbraw/zinc/72/50/66/338725066.db2.gz MYSWYOGMLINJAK-IBGZPJMESA-N 2 2 319.408 3.663 20 0 DHADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCC1 ZINC000453065270 338789460 /nfs/dbraw/zinc/78/94/60/338789460.db2.gz TZBTZMSZHPWRQL-LJQANCHMSA-N 2 2 301.478 3.604 20 0 DHADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccncc1 ZINC000453070481 338790179 /nfs/dbraw/zinc/79/01/79/338790179.db2.gz CJPKBNKZJOYMCN-LJQANCHMSA-N 2 2 320.440 3.610 20 0 DHADLP Clc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCC2)cc1 ZINC000453201886 338807243 /nfs/dbraw/zinc/80/72/43/338807243.db2.gz NSAPRDAMYAKCJN-AEFFLSMTSA-N 2 2 315.848 3.982 20 0 DHADLP CC[C@]1(C(C)C)C[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453460450 338843684 /nfs/dbraw/zinc/84/36/84/338843684.db2.gz WRWKLPDQOKUFKU-HUUCEWRRSA-N 2 2 306.416 3.818 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000459328923 339022121 /nfs/dbraw/zinc/02/21/21/339022121.db2.gz PMUUBKNXPXESNI-UHFFFAOYSA-N 2 2 324.255 3.934 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000459328923 339022122 /nfs/dbraw/zinc/02/21/22/339022122.db2.gz PMUUBKNXPXESNI-UHFFFAOYSA-N 2 2 324.255 3.934 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459397021 339026888 /nfs/dbraw/zinc/02/68/88/339026888.db2.gz WHXXOWDWAQIIBQ-HNNXBMFYSA-N 2 2 311.420 3.500 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459397021 339026889 /nfs/dbraw/zinc/02/68/89/339026889.db2.gz WHXXOWDWAQIIBQ-HNNXBMFYSA-N 2 2 311.420 3.500 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](C)c2nc3c(s2)CCC3)c[nH+]1 ZINC000459646097 339039993 /nfs/dbraw/zinc/03/99/93/339039993.db2.gz HXJWIGXHZWJNQP-CYBMUJFWSA-N 2 2 301.459 3.619 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)C[N@@H+]1C1CC1 ZINC000459662412 339041378 /nfs/dbraw/zinc/04/13/78/339041378.db2.gz ALAJMEKKCFJMBB-DDFXLWFNSA-N 2 2 308.828 3.550 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)C[N@H+]1C1CC1 ZINC000459662412 339041379 /nfs/dbraw/zinc/04/13/79/339041379.db2.gz ALAJMEKKCFJMBB-DDFXLWFNSA-N 2 2 308.828 3.550 20 0 DHADLP Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1C[NH+](C)C ZINC000459748501 339046001 /nfs/dbraw/zinc/04/60/01/339046001.db2.gz XHBJNRDXBUZDAV-UHFFFAOYSA-N 2 2 320.440 3.854 20 0 DHADLP CC(C)c1ccc(C[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000460976497 339056449 /nfs/dbraw/zinc/05/64/49/339056449.db2.gz DAEBRAIMUMQLKL-IBGZPJMESA-N 2 2 311.473 3.961 20 0 DHADLP CC(C)c1ccc(C[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000460976497 339056450 /nfs/dbraw/zinc/05/64/50/339056450.db2.gz DAEBRAIMUMQLKL-IBGZPJMESA-N 2 2 311.473 3.961 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000462750236 339086698 /nfs/dbraw/zinc/08/66/98/339086698.db2.gz NBQMLBJFKPVJDE-IAGOWNOFSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000462750236 339086699 /nfs/dbraw/zinc/08/66/99/339086699.db2.gz NBQMLBJFKPVJDE-IAGOWNOFSA-N 2 2 308.510 3.578 20 0 DHADLP CO[C@H]1C[C@@H]([N@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000463203076 339109235 /nfs/dbraw/zinc/10/92/35/339109235.db2.gz JDOSZGHAKTYNJQ-CALCHBBNSA-N 2 2 315.461 3.624 20 0 DHADLP CO[C@H]1C[C@@H]([N@@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000463203076 339109236 /nfs/dbraw/zinc/10/92/36/339109236.db2.gz JDOSZGHAKTYNJQ-CALCHBBNSA-N 2 2 315.461 3.624 20 0 DHADLP C[C@H]1CCC[N@H+](CC[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000466360999 339200749 /nfs/dbraw/zinc/20/07/49/339200749.db2.gz MZNOKKXCKDRMBP-NFOMZHRRSA-N 2 2 306.416 3.677 20 0 DHADLP C[C@H]1CCC[N@@H+](CC[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000466360999 339200750 /nfs/dbraw/zinc/20/07/50/339200750.db2.gz MZNOKKXCKDRMBP-NFOMZHRRSA-N 2 2 306.416 3.677 20 0 DHADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C1 ZINC000466471874 339206415 /nfs/dbraw/zinc/20/64/15/339206415.db2.gz GHZUGEFMLURRFY-WTKWOQBOSA-N 2 2 310.844 3.655 20 0 DHADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C1 ZINC000466471874 339206416 /nfs/dbraw/zinc/20/64/16/339206416.db2.gz GHZUGEFMLURRFY-WTKWOQBOSA-N 2 2 310.844 3.655 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467354093 339233596 /nfs/dbraw/zinc/23/35/96/339233596.db2.gz LKWCZXXSHBMEKI-ZWKOTPCHSA-N 2 2 303.494 3.738 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467354093 339233597 /nfs/dbraw/zinc/23/35/97/339233597.db2.gz LKWCZXXSHBMEKI-ZWKOTPCHSA-N 2 2 303.494 3.738 20 0 DHADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000467388169 339236193 /nfs/dbraw/zinc/23/61/93/339236193.db2.gz JNLLIPYXRBFSAA-OALUTQOASA-N 2 2 313.489 3.658 20 0 DHADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000467388169 339236194 /nfs/dbraw/zinc/23/61/94/339236194.db2.gz JNLLIPYXRBFSAA-OALUTQOASA-N 2 2 313.489 3.658 20 0 DHADLP COc1ccc([C@H](C[NH2+]C2CC(C)C2)[NH+]2CCCCC2)cc1 ZINC000467745303 339245621 /nfs/dbraw/zinc/24/56/21/339245621.db2.gz FDUVVKMEQHANFK-KVWWFHCMSA-N 2 2 302.462 3.610 20 0 DHADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C)cc1 ZINC000468523400 339265432 /nfs/dbraw/zinc/26/54/32/339265432.db2.gz QCDHRJPYEIVQID-YMPXZSTISA-N 2 2 304.478 3.502 20 0 DHADLP COc1cccc2c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c(C)c[nH+]c12 ZINC000468713344 339269211 /nfs/dbraw/zinc/26/92/11/339269211.db2.gz HASIGZBVEGLPNY-GJZGRUSLSA-N 2 2 311.429 3.591 20 0 DHADLP COc1cccc2c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c(C)c[nH+]c12 ZINC000468713344 339269212 /nfs/dbraw/zinc/26/92/12/339269212.db2.gz HASIGZBVEGLPNY-GJZGRUSLSA-N 2 2 311.429 3.591 20 0 DHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCOCC1 ZINC000469797953 339300744 /nfs/dbraw/zinc/30/07/44/339300744.db2.gz FAVGAHDYDQRSMC-FXAWDEMLSA-N 2 2 318.505 3.548 20 0 DHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCOCC1 ZINC000469797953 339300745 /nfs/dbraw/zinc/30/07/45/339300745.db2.gz FAVGAHDYDQRSMC-FXAWDEMLSA-N 2 2 318.505 3.548 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470967243 339333252 /nfs/dbraw/zinc/33/32/52/339333252.db2.gz MQBZGESLKLYIRJ-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470967243 339333253 /nfs/dbraw/zinc/33/32/53/339333253.db2.gz MQBZGESLKLYIRJ-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470967243 339333254 /nfs/dbraw/zinc/33/32/54/339333254.db2.gz MQBZGESLKLYIRJ-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470967243 339333255 /nfs/dbraw/zinc/33/32/55/339333255.db2.gz MQBZGESLKLYIRJ-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000471593491 339348468 /nfs/dbraw/zinc/34/84/68/339348468.db2.gz KRKSLXRHEXNJOJ-HRCADAONSA-N 2 2 304.503 3.690 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000471593491 339348469 /nfs/dbraw/zinc/34/84/69/339348469.db2.gz KRKSLXRHEXNJOJ-HRCADAONSA-N 2 2 304.503 3.690 20 0 DHADLP Cc1cc(N(CC[NH+](C)C)Cc2cccs2)nc(C(C)C)[nH+]1 ZINC000471752555 339353159 /nfs/dbraw/zinc/35/31/59/339353159.db2.gz ZXCFCLLDCUJZFN-UHFFFAOYSA-N 2 2 318.490 3.538 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)[C@H](c1ccccc1)[NH+](C)C ZINC000472036693 339359955 /nfs/dbraw/zinc/35/99/55/339359955.db2.gz FFBFXCSPBZSJGD-FOIQADDNSA-N 2 2 307.441 3.949 20 0 DHADLP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000472054866 339361350 /nfs/dbraw/zinc/36/13/50/339361350.db2.gz SYNMRWNPLHXYBG-KXBFYZLASA-N 2 2 300.421 3.915 20 0 DHADLP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000472057581 339361377 /nfs/dbraw/zinc/36/13/77/339361377.db2.gz KNCIRPGBMJKIJL-JXFKEZNVSA-N 2 2 312.457 3.785 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000474458002 339415269 /nfs/dbraw/zinc/41/52/69/339415269.db2.gz HDADMKUSYPBZQM-GVDBMIGSSA-N 2 2 304.478 3.651 20 0 DHADLP CCc1cccc(F)c1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000474470693 339415989 /nfs/dbraw/zinc/41/59/89/339415989.db2.gz FNRJVXHFAANKKU-UHFFFAOYSA-N 2 2 323.415 3.923 20 0 DHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000474796798 339426412 /nfs/dbraw/zinc/42/64/12/339426412.db2.gz BWRDHTDLKQQFIY-UXHICEINSA-N 3 2 317.521 3.813 20 0 DHADLP CCCOc1cccc2c(NC3CC[NH+](CC)CC3)cc[nH+]c12 ZINC000478222165 339510819 /nfs/dbraw/zinc/51/08/19/339510819.db2.gz CBOJHVJSWKRSGN-UHFFFAOYSA-N 2 2 313.445 3.920 20 0 DHADLP CC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000479489656 339537800 /nfs/dbraw/zinc/53/78/00/339537800.db2.gz QWENQDRFBPGIGZ-YMAMQOFZSA-N 2 2 304.400 3.570 20 0 DHADLP COC1(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)CCCCC1 ZINC000480369184 339570922 /nfs/dbraw/zinc/57/09/22/339570922.db2.gz BHSLYOVTGUSKDN-GOSISDBHSA-N 2 2 304.478 3.537 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1(C)CC1)c1cccc(OC)c1 ZINC000480391216 339571923 /nfs/dbraw/zinc/57/19/23/339571923.db2.gz VGQLVNSVWGXIEU-CRAIPNDOSA-N 2 2 304.478 3.856 20 0 DHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000484297537 339684176 /nfs/dbraw/zinc/68/41/76/339684176.db2.gz INSYBJQCKAJHIE-CYBMUJFWSA-N 2 2 319.836 3.896 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc3c(c1)CCCC3)CCC2 ZINC000491312367 339857708 /nfs/dbraw/zinc/85/77/08/339857708.db2.gz ZSXPAJRBORMYOZ-IBGZPJMESA-N 2 2 309.457 3.738 20 0 DHADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCCCC(F)(F)C3)c[nH+]c12 ZINC000491573685 339867565 /nfs/dbraw/zinc/86/75/65/339867565.db2.gz UBULJRSWHOPGQI-CQSZACIVSA-N 2 2 307.388 3.948 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cn1 ZINC000493126834 339917899 /nfs/dbraw/zinc/91/78/99/339917899.db2.gz HMMLDUXPROIGFV-QGZVFWFLSA-N 2 2 305.441 3.668 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(OC(C)(C)C)c1 ZINC000499682414 340042616 /nfs/dbraw/zinc/04/26/16/340042616.db2.gz SRGWJPXTFSCMPT-WBVHZDCISA-N 2 2 316.489 3.887 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C[N@@H+]1C1CC1 ZINC000499697313 340042918 /nfs/dbraw/zinc/04/29/18/340042918.db2.gz LOTDCQSPDVKBSX-VXGQWTEUSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C[N@H+]1C1CC1 ZINC000499697313 340042919 /nfs/dbraw/zinc/04/29/19/340042919.db2.gz LOTDCQSPDVKBSX-VXGQWTEUSA-N 2 2 304.865 3.801 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000502453066 340104173 /nfs/dbraw/zinc/10/41/73/340104173.db2.gz JVJZTEYCWXMXMT-QGZVKYPTSA-N 2 2 318.505 3.781 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000503952422 340138296 /nfs/dbraw/zinc/13/82/96/340138296.db2.gz IQJLJWYHTOKBBI-QSNQCMLGSA-N 2 2 324.390 3.793 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000503952422 340138297 /nfs/dbraw/zinc/13/82/97/340138297.db2.gz IQJLJWYHTOKBBI-QSNQCMLGSA-N 2 2 324.390 3.793 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000504927993 340156478 /nfs/dbraw/zinc/15/64/78/340156478.db2.gz XQLBCHCOAOGILS-DFEOGRTESA-N 2 2 316.489 3.632 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H](C)CCOC)c1ccc(Cl)cc1 ZINC000506609176 340197525 /nfs/dbraw/zinc/19/75/25/340197525.db2.gz BSSWUKYIUAPMSC-WMLDXEAASA-N 2 2 312.885 3.738 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H](C)CCOC)c1ccc(Cl)cc1 ZINC000506609176 340197526 /nfs/dbraw/zinc/19/75/26/340197526.db2.gz BSSWUKYIUAPMSC-WMLDXEAASA-N 2 2 312.885 3.738 20 0 DHADLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@H]1C ZINC000507465568 340221036 /nfs/dbraw/zinc/22/10/36/340221036.db2.gz BHKHDXBLPOOVLX-IPYPFGDCSA-N 2 2 306.416 3.818 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000507505093 340223111 /nfs/dbraw/zinc/22/31/11/340223111.db2.gz DOYLLXVDNPVYSP-QGZVFWFLSA-N 2 2 311.473 3.817 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000507505093 340223112 /nfs/dbraw/zinc/22/31/12/340223112.db2.gz DOYLLXVDNPVYSP-QGZVFWFLSA-N 2 2 311.473 3.817 20 0 DHADLP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000507522850 340224406 /nfs/dbraw/zinc/22/44/06/340224406.db2.gz HSQULVMRXWZXKJ-KBPBESRZSA-N 2 2 306.416 3.819 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000508011901 340237305 /nfs/dbraw/zinc/23/73/05/340237305.db2.gz HNFFHEZVCYDCDW-LGMDPLHJSA-N 2 2 316.489 3.699 20 0 DHADLP COCC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000509963665 340284085 /nfs/dbraw/zinc/28/40/85/340284085.db2.gz NKPZDOFHCKYTJN-WDSOQIARSA-N 2 2 318.505 3.690 20 0 DHADLP COCC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000509963665 340284086 /nfs/dbraw/zinc/28/40/86/340284086.db2.gz NKPZDOFHCKYTJN-WDSOQIARSA-N 2 2 318.505 3.690 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000303026429 340296353 /nfs/dbraw/zinc/29/63/53/340296353.db2.gz YUTQYFWEEFZHSG-IBGZPJMESA-N 2 2 312.432 3.888 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000303026429 340296354 /nfs/dbraw/zinc/29/63/54/340296354.db2.gz YUTQYFWEEFZHSG-IBGZPJMESA-N 2 2 312.432 3.888 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000303055256 340298823 /nfs/dbraw/zinc/29/88/23/340298823.db2.gz OSTAGCBXLUVRAL-IBGZPJMESA-N 2 2 312.432 3.888 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000303055256 340298824 /nfs/dbraw/zinc/29/88/24/340298824.db2.gz OSTAGCBXLUVRAL-IBGZPJMESA-N 2 2 312.432 3.888 20 0 DHADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)cc1 ZINC000510675550 340306033 /nfs/dbraw/zinc/30/60/33/340306033.db2.gz OUWJVBUQUKNJOJ-VQTJNVASSA-N 2 2 316.464 3.958 20 0 DHADLP Fc1ccc2c(cc[nH+]c2N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000572515152 340325563 /nfs/dbraw/zinc/32/55/63/340325563.db2.gz OEFHBYNSNOMNIS-KRWDZBQOSA-N 2 2 313.420 3.829 20 0 DHADLP CCC[N@H+](C)[C@@H](C[NH2+]C[C@@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000512567952 340367320 /nfs/dbraw/zinc/36/73/20/340367320.db2.gz DQPGZLABOJAKED-YJBOKZPZSA-N 2 2 324.896 3.739 20 0 DHADLP CCC[N@@H+](C)[C@@H](C[NH2+]C[C@@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000512567952 340367321 /nfs/dbraw/zinc/36/73/21/340367321.db2.gz DQPGZLABOJAKED-YJBOKZPZSA-N 2 2 324.896 3.739 20 0 DHADLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C(C)C ZINC000512988302 340387079 /nfs/dbraw/zinc/38/70/79/340387079.db2.gz VNNHPNPXPHJEBI-SFHVURJKSA-N 2 2 324.896 3.565 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)CCc1ccccc1 ZINC000237510821 340671749 /nfs/dbraw/zinc/67/17/49/340671749.db2.gz PIFLDNRVGGQDCH-MRXNPFEDSA-N 2 2 307.441 3.956 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000237551710 340672146 /nfs/dbraw/zinc/67/21/46/340672146.db2.gz KMLAWWHWXHXSSS-LBPRGKRZSA-N 2 2 308.372 3.655 20 0 DHADLP CC(C)[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(F)ccc1F ZINC000527283665 340709997 /nfs/dbraw/zinc/70/99/97/340709997.db2.gz ZIJLOGRGWWDXBQ-KRWDZBQOSA-N 2 2 307.388 3.928 20 0 DHADLP Cc1ccc2sc(C[NH+]3CCC(n4cc[nH+]c4)CC3)nc2c1 ZINC000528392725 340716516 /nfs/dbraw/zinc/71/65/16/340716516.db2.gz CXPLVFKBORJOTH-UHFFFAOYSA-N 2 2 312.442 3.638 20 0 DHADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H]3CC[NH2+]C34CCC4)oc21 ZINC000530216432 340782731 /nfs/dbraw/zinc/78/27/31/340782731.db2.gz BJDPTPFRQATDOF-CXAGYDPISA-N 2 2 314.429 3.767 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000125145665 340802600 /nfs/dbraw/zinc/80/26/00/340802600.db2.gz IGXSKELHLDOEBG-AWEZNQCLSA-N 2 2 308.441 3.749 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccsc2)[C@H]1c1ccccc1 ZINC000564256110 341010216 /nfs/dbraw/zinc/01/02/16/341010216.db2.gz OWIDVCRBIVFNQF-ZWKOTPCHSA-N 2 2 300.471 3.716 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]CCCc2ccsc2)[C@H]1c1ccccc1 ZINC000564256110 341010217 /nfs/dbraw/zinc/01/02/17/341010217.db2.gz OWIDVCRBIVFNQF-ZWKOTPCHSA-N 2 2 300.471 3.716 20 0 DHADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C(C)(C)c1ccccc1 ZINC000130557738 341027805 /nfs/dbraw/zinc/02/78/05/341027805.db2.gz UMFLXGWPXLUNKY-INIZCTEOSA-N 2 2 307.441 3.833 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)CCC2 ZINC000130585716 341029526 /nfs/dbraw/zinc/02/95/26/341029526.db2.gz ITVZRYKRQSNHTF-OAHLLOKOSA-N 2 2 305.425 3.716 20 0 DHADLP Cc1[nH+]c2ccccc2c(NCc2cn3ccccc3[nH+]2)c1C ZINC000543135925 341033521 /nfs/dbraw/zinc/03/35/21/341033521.db2.gz SGZRARYHBYMSBP-UHFFFAOYSA-N 2 2 302.381 3.533 20 0 DHADLP CC(C)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccn1 ZINC000543394945 341041712 /nfs/dbraw/zinc/04/17/12/341041712.db2.gz REWWWQUDCDPTDS-UHFFFAOYSA-N 2 2 312.442 3.739 20 0 DHADLP CC(C)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccn1 ZINC000543394945 341041713 /nfs/dbraw/zinc/04/17/13/341041713.db2.gz REWWWQUDCDPTDS-UHFFFAOYSA-N 2 2 312.442 3.739 20 0 DHADLP CS[C@@H](C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000543426372 341044026 /nfs/dbraw/zinc/04/40/26/341044026.db2.gz QRHUUBXHVBIOSZ-MSOLQXFVSA-N 2 2 320.546 3.671 20 0 DHADLP CS[C@@H](C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000543426372 341044027 /nfs/dbraw/zinc/04/40/27/341044027.db2.gz QRHUUBXHVBIOSZ-MSOLQXFVSA-N 2 2 320.546 3.671 20 0 DHADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1nc(C(C)(C)C)cs1 ZINC000543511038 341048059 /nfs/dbraw/zinc/04/80/59/341048059.db2.gz CBUXVMQEIMRLSD-KBPBESRZSA-N 2 2 309.523 3.966 20 0 DHADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1nc(C(C)(C)C)cs1 ZINC000543511038 341048060 /nfs/dbraw/zinc/04/80/60/341048060.db2.gz CBUXVMQEIMRLSD-KBPBESRZSA-N 2 2 309.523 3.966 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(F)c1 ZINC000544373909 341078902 /nfs/dbraw/zinc/07/89/02/341078902.db2.gz YEBWDFUIKBWNLY-GJZGRUSLSA-N 2 2 308.441 3.749 20 0 DHADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000544407035 341080629 /nfs/dbraw/zinc/08/06/29/341080629.db2.gz CJSABYAQLYLIPK-ICSRJNTNSA-N 2 2 300.490 3.816 20 0 DHADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000544407035 341080630 /nfs/dbraw/zinc/08/06/30/341080630.db2.gz CJSABYAQLYLIPK-ICSRJNTNSA-N 2 2 300.490 3.816 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000544829345 341095162 /nfs/dbraw/zinc/09/51/62/341095162.db2.gz IKMWBGIMDHNSGF-NUEKZKHPSA-N 2 2 314.395 3.828 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000544829345 341095163 /nfs/dbraw/zinc/09/51/63/341095163.db2.gz IKMWBGIMDHNSGF-NUEKZKHPSA-N 2 2 314.395 3.828 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000545344745 341122538 /nfs/dbraw/zinc/12/25/38/341122538.db2.gz TWKGSFWBYCDJRB-UHFFFAOYSA-N 2 2 310.228 3.744 20 0 DHADLP C[NH+](C)CC1(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CCCC1 ZINC000545520910 341128341 /nfs/dbraw/zinc/12/83/41/341128341.db2.gz ZUCXQNINKCNKDJ-MRXNPFEDSA-N 2 2 308.416 3.664 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C[N@@H+]1Cc1ccccc1 ZINC000237695402 341218414 /nfs/dbraw/zinc/21/84/14/341218414.db2.gz JTIREOUUTJOUMP-OXJNMPFZSA-N 2 2 319.452 3.921 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C[N@H+]1Cc1ccccc1 ZINC000237695402 341218415 /nfs/dbraw/zinc/21/84/15/341218415.db2.gz JTIREOUUTJOUMP-OXJNMPFZSA-N 2 2 319.452 3.921 20 0 DHADLP Clc1ccsc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000549387507 341293018 /nfs/dbraw/zinc/29/30/18/341293018.db2.gz KJXASIOSVXHKHQ-UHFFFAOYSA-N 2 2 307.850 3.873 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245434622 341293554 /nfs/dbraw/zinc/29/35/54/341293554.db2.gz CLEIDYYJASYYEJ-CABCVRRESA-N 2 2 308.416 3.834 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245434622 341293555 /nfs/dbraw/zinc/29/35/55/341293555.db2.gz CLEIDYYJASYYEJ-CABCVRRESA-N 2 2 308.416 3.834 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2c(F)cccc2Cl)C1 ZINC000081516105 341294399 /nfs/dbraw/zinc/29/43/99/341294399.db2.gz HJDFPMFHPLSHFW-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2c(F)cccc2Cl)C1 ZINC000081516105 341294400 /nfs/dbraw/zinc/29/44/00/341294400.db2.gz HJDFPMFHPLSHFW-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000081516105 341294401 /nfs/dbraw/zinc/29/44/01/341294401.db2.gz HJDFPMFHPLSHFW-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000081516105 341294402 /nfs/dbraw/zinc/29/44/02/341294402.db2.gz HJDFPMFHPLSHFW-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)CC3 ZINC000245539026 341300800 /nfs/dbraw/zinc/30/08/00/341300800.db2.gz ZQFIGLLWVNXJMT-BZUAXINKSA-N 2 2 323.484 3.548 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)CC3 ZINC000245539026 341300801 /nfs/dbraw/zinc/30/08/01/341300801.db2.gz ZQFIGLLWVNXJMT-BZUAXINKSA-N 2 2 323.484 3.548 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000549806819 341303638 /nfs/dbraw/zinc/30/36/38/341303638.db2.gz UGBZOZALGQCMAI-LJQANCHMSA-N 2 2 315.505 3.732 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000549806819 341303639 /nfs/dbraw/zinc/30/36/39/341303639.db2.gz UGBZOZALGQCMAI-LJQANCHMSA-N 2 2 315.505 3.732 20 0 DHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000549839932 341304630 /nfs/dbraw/zinc/30/46/30/341304630.db2.gz DDNCMXYRJRACQT-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000549839932 341304631 /nfs/dbraw/zinc/30/46/31/341304631.db2.gz DDNCMXYRJRACQT-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000549839932 341304632 /nfs/dbraw/zinc/30/46/32/341304632.db2.gz DDNCMXYRJRACQT-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000549839932 341304633 /nfs/dbraw/zinc/30/46/33/341304633.db2.gz DDNCMXYRJRACQT-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[N@@H+]1C1CC1 ZINC000549936338 341307559 /nfs/dbraw/zinc/30/75/59/341307559.db2.gz LOTDCQSPDVKBSX-KBUPBQIOSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[N@H+]1C1CC1 ZINC000549936338 341307560 /nfs/dbraw/zinc/30/75/60/341307560.db2.gz LOTDCQSPDVKBSX-KBUPBQIOSA-N 2 2 304.865 3.801 20 0 DHADLP Cc1ccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC000245773703 341314463 /nfs/dbraw/zinc/31/44/63/341314463.db2.gz XSEAPMOYEBGOAJ-ACDBMABISA-N 2 2 307.441 3.998 20 0 DHADLP Cc1ccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC000245773703 341314464 /nfs/dbraw/zinc/31/44/64/341314464.db2.gz XSEAPMOYEBGOAJ-ACDBMABISA-N 2 2 307.441 3.998 20 0 DHADLP C[C@@H]1C[C@@H]1[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000245865198 341316595 /nfs/dbraw/zinc/31/65/95/341316595.db2.gz IKLZUVCUHZMMKB-COXVUDFISA-N 2 2 303.837 3.914 20 0 DHADLP C[C@@]1([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550860538 341324795 /nfs/dbraw/zinc/32/47/95/341324795.db2.gz LKSVELDNEXXQQD-BHIFYINESA-N 2 2 320.480 3.839 20 0 DHADLP C[C@@]1([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550860538 341324796 /nfs/dbraw/zinc/32/47/96/341324796.db2.gz LKSVELDNEXXQQD-BHIFYINESA-N 2 2 320.480 3.839 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000550921712 341326777 /nfs/dbraw/zinc/32/67/77/341326777.db2.gz YNKSUEYBAZTNOE-VQIMIIECSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000550921712 341326778 /nfs/dbraw/zinc/32/67/78/341326778.db2.gz YNKSUEYBAZTNOE-VQIMIIECSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)[N@H+](C)C1CC1 ZINC000551030656 341329400 /nfs/dbraw/zinc/32/94/00/341329400.db2.gz YIIBRCAPHNQCSQ-UGSOOPFHSA-N 2 2 306.881 3.733 20 0 DHADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)[N@@H+](C)C1CC1 ZINC000551030656 341329401 /nfs/dbraw/zinc/32/94/01/341329401.db2.gz YIIBRCAPHNQCSQ-UGSOOPFHSA-N 2 2 306.881 3.733 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246225399 341335519 /nfs/dbraw/zinc/33/55/19/341335519.db2.gz DYWRPOIQQWLNRP-PBFPGSCMSA-N 2 2 305.372 3.805 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246225399 341335520 /nfs/dbraw/zinc/33/55/20/341335520.db2.gz DYWRPOIQQWLNRP-PBFPGSCMSA-N 2 2 305.372 3.805 20 0 DHADLP CCCC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000551380433 341340097 /nfs/dbraw/zinc/34/00/97/341340097.db2.gz IIRULCPAUCZJLB-HXUWFJFHSA-N 2 2 316.489 3.542 20 0 DHADLP CCCC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000551380433 341340098 /nfs/dbraw/zinc/34/00/98/341340098.db2.gz IIRULCPAUCZJLB-HXUWFJFHSA-N 2 2 316.489 3.542 20 0 DHADLP CCCC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000551380433 341340099 /nfs/dbraw/zinc/34/00/99/341340099.db2.gz IIRULCPAUCZJLB-HXUWFJFHSA-N 2 2 316.489 3.542 20 0 DHADLP CCCC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000551380433 341340100 /nfs/dbraw/zinc/34/01/00/341340100.db2.gz IIRULCPAUCZJLB-HXUWFJFHSA-N 2 2 316.489 3.542 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000551517145 341343474 /nfs/dbraw/zinc/34/34/74/341343474.db2.gz GOYOFMLKGVDNOC-WBVHZDCISA-N 2 2 313.445 3.728 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551520349 341343665 /nfs/dbraw/zinc/34/36/65/341343665.db2.gz MUXOIIHJQBSGEJ-IUODEOHRSA-N 2 2 312.910 3.797 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551520349 341343666 /nfs/dbraw/zinc/34/36/66/341343666.db2.gz MUXOIIHJQBSGEJ-IUODEOHRSA-N 2 2 312.910 3.797 20 0 DHADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000551558289 341345503 /nfs/dbraw/zinc/34/55/03/341345503.db2.gz BYOIQYNOTASOJC-HBFSDRIKSA-N 2 2 316.489 3.856 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000551787511 341351435 /nfs/dbraw/zinc/35/14/35/341351435.db2.gz HWEUYUHQXGJTNY-RDJZCZTQSA-N 2 2 302.462 3.753 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000551787511 341351436 /nfs/dbraw/zinc/35/14/36/341351436.db2.gz HWEUYUHQXGJTNY-RDJZCZTQSA-N 2 2 302.462 3.753 20 0 DHADLP C[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000248033511 341372367 /nfs/dbraw/zinc/37/23/67/341372367.db2.gz QXRSGYJXWPQXMU-IXDOHACOSA-N 2 2 322.518 3.536 20 0 DHADLP Cc1ccc(C)c([C@@H]2C[N@H+](CC[C@@H]3CCC[NH+]3C)[C@@H](C)CO2)c1 ZINC000248059670 341372967 /nfs/dbraw/zinc/37/29/67/341372967.db2.gz OXFRHPROYSIJMQ-BJLQDIEVSA-N 2 2 316.489 3.550 20 0 DHADLP Cc1ccc(C)c([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH+]3C)[C@@H](C)CO2)c1 ZINC000248059670 341372968 /nfs/dbraw/zinc/37/29/68/341372968.db2.gz OXFRHPROYSIJMQ-BJLQDIEVSA-N 2 2 316.489 3.550 20 0 DHADLP Cc1ccc(C)c([C@@H]2C[NH+](CC[C@@H]3CCC[N@@H+]3C)[C@@H](C)CO2)c1 ZINC000248059670 341372969 /nfs/dbraw/zinc/37/29/69/341372969.db2.gz OXFRHPROYSIJMQ-BJLQDIEVSA-N 2 2 316.489 3.550 20 0 DHADLP Cc1ccc(C)c([C@@H]2C[NH+](CC[C@@H]3CCC[N@H+]3C)[C@@H](C)CO2)c1 ZINC000248059670 341372970 /nfs/dbraw/zinc/37/29/70/341372970.db2.gz OXFRHPROYSIJMQ-BJLQDIEVSA-N 2 2 316.489 3.550 20 0 DHADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCCn1cc[nH+]c1 ZINC000552225738 341379516 /nfs/dbraw/zinc/37/95/16/341379516.db2.gz LCDKQQZSEDBIJI-CQSZACIVSA-N 2 2 307.388 3.552 20 0 DHADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248554734 341379751 /nfs/dbraw/zinc/37/97/51/341379751.db2.gz KCAUGZCDEXCMJC-KBPBESRZSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248554734 341379752 /nfs/dbraw/zinc/37/97/52/341379752.db2.gz KCAUGZCDEXCMJC-KBPBESRZSA-N 2 2 310.844 3.958 20 0 DHADLP Clc1ccsc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248654605 341383021 /nfs/dbraw/zinc/38/30/21/341383021.db2.gz AOUAMKQLPJRRON-SWLSCSKDSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccsc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248654605 341383022 /nfs/dbraw/zinc/38/30/22/341383022.db2.gz AOUAMKQLPJRRON-SWLSCSKDSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccsc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248654605 341383023 /nfs/dbraw/zinc/38/30/23/341383023.db2.gz AOUAMKQLPJRRON-SWLSCSKDSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccsc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248654605 341383024 /nfs/dbraw/zinc/38/30/24/341383024.db2.gz AOUAMKQLPJRRON-SWLSCSKDSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248738714 341385466 /nfs/dbraw/zinc/38/54/66/341385466.db2.gz PHXLSKZYVBCLLZ-LRDDRELGSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248738714 341385467 /nfs/dbraw/zinc/38/54/67/341385467.db2.gz PHXLSKZYVBCLLZ-LRDDRELGSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000248738714 341385468 /nfs/dbraw/zinc/38/54/68/341385468.db2.gz PHXLSKZYVBCLLZ-LRDDRELGSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000248738714 341385469 /nfs/dbraw/zinc/38/54/69/341385469.db2.gz PHXLSKZYVBCLLZ-LRDDRELGSA-N 2 2 310.894 3.850 20 0 DHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1ccncc1 ZINC000248976732 341391048 /nfs/dbraw/zinc/39/10/48/341391048.db2.gz HWNIRUQCMUVDJU-YLJYHZDGSA-N 2 2 311.473 3.889 20 0 DHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1ccncc1 ZINC000248976732 341391049 /nfs/dbraw/zinc/39/10/49/341391049.db2.gz HWNIRUQCMUVDJU-YLJYHZDGSA-N 2 2 311.473 3.889 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000553674454 341433738 /nfs/dbraw/zinc/43/37/38/341433738.db2.gz MRDLYJCCGMPBCF-ZIAGYGMSSA-N 2 2 315.848 3.951 20 0 DHADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554050380 341441772 /nfs/dbraw/zinc/44/17/72/341441772.db2.gz LCDIVZBKJSRWQK-OALUTQOASA-N 2 2 302.437 3.568 20 0 DHADLP COc1ccc([C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)[NH+]2CCCC2)cc1 ZINC000554050622 341441829 /nfs/dbraw/zinc/44/18/29/341441829.db2.gz QAKRCIOQPVISKG-AABGKKOBSA-N 2 2 314.473 3.610 20 0 DHADLP CC[C@@H]1CC[C@@H]1[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000554072647 341442677 /nfs/dbraw/zinc/44/26/77/341442677.db2.gz WUOAOLPBIWZORH-SCTDSRPQSA-N 2 2 316.489 3.665 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H]2CCO[C@H](C)C2)[NH+](CC)CC)cc1 ZINC000556214588 341497658 /nfs/dbraw/zinc/49/76/58/341497658.db2.gz VRTHLUFITGYBQP-UXPWSPDFSA-N 2 2 318.505 3.789 20 0 DHADLP COC[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1)C1CC1 ZINC000153438077 341540147 /nfs/dbraw/zinc/54/01/47/341540147.db2.gz KUTZRGLFERBYDP-IAGOWNOFSA-N 2 2 322.518 3.536 20 0 DHADLP COc1cccc2c(C[NH2+]CCCCn3cc[nH+]c3)cccc12 ZINC000567071269 341578085 /nfs/dbraw/zinc/57/80/85/341578085.db2.gz VIDZYROGZIZIJG-UHFFFAOYSA-N 2 2 309.413 3.615 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCC2(C)C)CCOCC1)c1ccccc1 ZINC000568076656 341650183 /nfs/dbraw/zinc/65/01/83/341650183.db2.gz PKBAVOBPPOJVAI-AEFFLSMTSA-N 2 2 316.489 3.665 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337284165 520328426 /nfs/dbraw/zinc/32/84/26/520328426.db2.gz JJHDPBCVJXRVPN-PKOBYXMFSA-N 2 2 315.505 3.819 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337284165 520328434 /nfs/dbraw/zinc/32/84/34/520328434.db2.gz JJHDPBCVJXRVPN-PKOBYXMFSA-N 2 2 315.505 3.819 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337343725 521595465 /nfs/dbraw/zinc/59/54/65/521595465.db2.gz SORLKZKRXYWJCI-QXAKKESOSA-N 2 2 301.478 3.572 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337343725 521595471 /nfs/dbraw/zinc/59/54/71/521595471.db2.gz SORLKZKRXYWJCI-QXAKKESOSA-N 2 2 301.478 3.572 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337343723 521595838 /nfs/dbraw/zinc/59/58/38/521595838.db2.gz SORLKZKRXYWJCI-BHIYHBOVSA-N 2 2 301.478 3.572 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337343723 521595845 /nfs/dbraw/zinc/59/58/45/521595845.db2.gz SORLKZKRXYWJCI-BHIYHBOVSA-N 2 2 301.478 3.572 20 0 DHADLP CCSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000154840633 521780748 /nfs/dbraw/zinc/78/07/48/521780748.db2.gz WXBRLFJJCFZRCV-OAHLLOKOSA-N 2 2 322.518 3.560 20 0 DHADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cc(F)cc(Br)c1 ZINC000361330871 522664704 /nfs/dbraw/zinc/66/47/04/522664704.db2.gz KWIVSAUJVKPAGP-ZDUSSCGKSA-N 2 2 312.186 3.552 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1cccc(F)c1 ZINC000364154487 522867353 /nfs/dbraw/zinc/86/73/53/522867353.db2.gz FBTOLKKLSVRPOE-NVXWUHKLSA-N 2 2 301.409 3.949 20 0 DHADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337345219 523173331 /nfs/dbraw/zinc/17/33/31/523173331.db2.gz UTHPUCOSTYFFRT-MISYRCLQSA-N 2 2 315.505 3.962 20 0 DHADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337345219 523173341 /nfs/dbraw/zinc/17/33/41/523173341.db2.gz UTHPUCOSTYFFRT-MISYRCLQSA-N 2 2 315.505 3.962 20 0 DHADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366436808 523853644 /nfs/dbraw/zinc/85/36/44/523853644.db2.gz VOPIHGRZIFBRJX-KLAILNCOSA-N 2 2 302.462 3.671 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccnc2)c1 ZINC000366295282 524471708 /nfs/dbraw/zinc/47/17/08/524471708.db2.gz KCQUNNDEJUKUJP-DZFGPLHGSA-N 2 2 323.484 3.860 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccnc2)c1 ZINC000366295282 524471712 /nfs/dbraw/zinc/47/17/12/524471712.db2.gz KCQUNNDEJUKUJP-DZFGPLHGSA-N 2 2 323.484 3.860 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)Cn1cc[nH+]c1 ZINC000180832134 524485991 /nfs/dbraw/zinc/48/59/91/524485991.db2.gz SVHJGNBCYQKQBZ-OAHLLOKOSA-N 2 2 311.385 3.694 20 0 DHADLP C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337318194 524935792 /nfs/dbraw/zinc/93/57/92/524935792.db2.gz MGOVJZKDDTZIFL-HOTGVXAUSA-N 2 2 306.413 3.549 20 0 DHADLP Cc1cc(N2CCC([N@@H+](C)CC[C@H](C)F)CC2)nc(C(C)C)[nH+]1 ZINC000367554618 525056537 /nfs/dbraw/zinc/05/65/37/525056537.db2.gz VUKNIEWCYWDQCR-AWEZNQCLSA-N 2 2 322.472 3.557 20 0 DHADLP Cc1cc(N2CCC([N@H+](C)CC[C@H](C)F)CC2)nc(C(C)C)[nH+]1 ZINC000367554618 525056550 /nfs/dbraw/zinc/05/65/50/525056550.db2.gz VUKNIEWCYWDQCR-AWEZNQCLSA-N 2 2 322.472 3.557 20 0 DHADLP COc1ccc([C@@H](C[NH2+][C@@H](C)C2(C)CC2)[NH+]2CCCC2)cc1 ZINC000156661926 525188336 /nfs/dbraw/zinc/18/83/36/525188336.db2.gz FAUCLRKATVPPME-MAUKXSAKSA-N 2 2 302.462 3.610 20 0 DHADLP Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)[nH+]1 ZINC000268013089 525236351 /nfs/dbraw/zinc/23/63/51/525236351.db2.gz QWEIYXFOFJCNBM-UHFFFAOYSA-N 2 2 323.440 3.937 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc2ccccc2o1 ZINC000119973601 525338451 /nfs/dbraw/zinc/33/84/51/525338451.db2.gz IUYQFQFUMOCDCN-OAGGEKHMSA-N 2 2 316.445 3.583 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)CCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000265837831 525414794 /nfs/dbraw/zinc/41/47/94/525414794.db2.gz MPYJDZSSUJEUBN-GDBMZVCRSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)CCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000265837831 525414804 /nfs/dbraw/zinc/41/48/04/525414804.db2.gz MPYJDZSSUJEUBN-GDBMZVCRSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)CCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000265837831 525414816 /nfs/dbraw/zinc/41/48/16/525414816.db2.gz MPYJDZSSUJEUBN-GDBMZVCRSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)CCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000265837831 525414822 /nfs/dbraw/zinc/41/48/22/525414822.db2.gz MPYJDZSSUJEUBN-GDBMZVCRSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000162852062 525434245 /nfs/dbraw/zinc/43/42/45/525434245.db2.gz YWYDBNUGLNGPHK-CYBMUJFWSA-N 2 2 305.372 3.903 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000130156203 525570577 /nfs/dbraw/zinc/57/05/77/525570577.db2.gz STAAGUMGELCJTA-BFHYXJOUSA-N 2 2 323.278 3.727 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000130156203 525570583 /nfs/dbraw/zinc/57/05/83/525570583.db2.gz STAAGUMGELCJTA-BFHYXJOUSA-N 2 2 323.278 3.727 20 0 DHADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CCC1 ZINC000179840601 525656227 /nfs/dbraw/zinc/65/62/27/525656227.db2.gz HHCPQIFNTILCDF-HNNXBMFYSA-N 2 2 301.478 3.818 20 0 DHADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)CCC[N@@H+]1C ZINC000338012337 525710229 /nfs/dbraw/zinc/71/02/29/525710229.db2.gz PYWHZTVGGCXGGF-HFBAOOFYSA-N 2 2 323.278 3.509 20 0 DHADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)CCC[N@H+]1C ZINC000338012337 525710236 /nfs/dbraw/zinc/71/02/36/525710236.db2.gz PYWHZTVGGCXGGF-HFBAOOFYSA-N 2 2 323.278 3.509 20 0 DHADLP Cc1ccc(-c2cnc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)o2)cc1 ZINC000266713978 525771585 /nfs/dbraw/zinc/77/15/85/525771585.db2.gz FSLIXOCPTKHKRQ-RDJZCZTQSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cnc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)o2)cc1 ZINC000266713978 525771592 /nfs/dbraw/zinc/77/15/92/525771592.db2.gz FSLIXOCPTKHKRQ-RDJZCZTQSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cnc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000266713978 525771599 /nfs/dbraw/zinc/77/15/99/525771599.db2.gz FSLIXOCPTKHKRQ-RDJZCZTQSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cnc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)o2)cc1 ZINC000266713978 525771606 /nfs/dbraw/zinc/77/16/06/525771606.db2.gz FSLIXOCPTKHKRQ-RDJZCZTQSA-N 2 2 313.445 3.565 20 0 DHADLP C[C@H](c1nc2ccccc2s1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000182869607 526180020 /nfs/dbraw/zinc/18/00/20/526180020.db2.gz ZHHZYGCXVIQFJA-CYBMUJFWSA-N 2 2 300.431 3.576 20 0 DHADLP C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182869607 526180026 /nfs/dbraw/zinc/18/00/26/526180026.db2.gz ZHHZYGCXVIQFJA-CYBMUJFWSA-N 2 2 300.431 3.576 20 0 DHADLP C[C@H]1CC(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000338476586 526226495 /nfs/dbraw/zinc/22/64/95/526226495.db2.gz GBSBRIVXIMJYSL-HOTGVXAUSA-N 2 2 313.445 3.556 20 0 DHADLP c1cc(O[C@H]2CC[N@@H+](CCSC3CCCCC3)C2)cc[nH+]1 ZINC000337258967 526436481 /nfs/dbraw/zinc/43/64/81/526436481.db2.gz VLXCQAIOWRBAKM-INIZCTEOSA-N 2 2 306.475 3.601 20 0 DHADLP c1cc(O[C@H]2CC[N@H+](CCSC3CCCCC3)C2)cc[nH+]1 ZINC000337258967 526436486 /nfs/dbraw/zinc/43/64/86/526436486.db2.gz VLXCQAIOWRBAKM-INIZCTEOSA-N 2 2 306.475 3.601 20 0 DHADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3CCCOc4ccccc43)[nH]c2c1 ZINC000156202560 526499554 /nfs/dbraw/zinc/49/95/54/526499554.db2.gz SNDITSVZRQATNO-INIZCTEOSA-N 2 2 321.424 3.999 20 0 DHADLP Clc1ccc2c(c1)[nH+]ccc2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264827449 526968320 /nfs/dbraw/zinc/96/83/20/526968320.db2.gz HJSIFZOGSGFDFA-UHFFFAOYSA-N 2 2 312.804 3.995 20 0 DHADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cccc(C3CC3)c2)C1 ZINC000340181235 535115688 /nfs/dbraw/zinc/11/56/88/535115688.db2.gz NFUCTPHVKHFBNP-UZLBHIALSA-N 2 2 316.489 3.571 20 0 DHADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cccc(C3CC3)c2)C1 ZINC000340181235 535115693 /nfs/dbraw/zinc/11/56/93/535115693.db2.gz NFUCTPHVKHFBNP-UZLBHIALSA-N 2 2 316.489 3.571 20 0 DHADLP C[NH+](C)CCc1ccc(-c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000846780240 1032067139 /nfs/dbraw/zinc/06/71/39/1032067139.db2.gz RTRJKWJBAIKRCO-UHFFFAOYSA-N 2 2 305.425 3.703 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1ccncc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000340487657 1013161828 /nfs/dbraw/zinc/16/18/28/1013161828.db2.gz LJLPOWISSKDBFH-KGLIPLIRSA-N 2 2 310.376 3.818 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Br ZINC000037649092 1013207719 /nfs/dbraw/zinc/20/77/19/1013207719.db2.gz GUAFDXDOIDINAL-OLZOCXBDSA-N 2 2 323.278 3.584 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Br ZINC000037649092 1013207727 /nfs/dbraw/zinc/20/77/27/1013207727.db2.gz GUAFDXDOIDINAL-OLZOCXBDSA-N 2 2 323.278 3.584 20 0 DHADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000163798575 1013214395 /nfs/dbraw/zinc/21/43/95/1013214395.db2.gz MKQAPGNWVVHLGB-KRWDZBQOSA-N 2 2 311.429 3.696 20 0 DHADLP C[C@@H](Cc1ccccn1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000925060280 1013253221 /nfs/dbraw/zinc/25/32/21/1013253221.db2.gz OCAYAQKWTRWNEZ-IRXDYDNUSA-N 2 2 311.473 3.732 20 0 DHADLP Clc1ccsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973429 1013410690 /nfs/dbraw/zinc/41/06/90/1013410690.db2.gz KNNWQAAXVABGFV-AGUYFDCRSA-N 2 2 310.894 3.897 20 0 DHADLP Clc1ccsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973429 1013410695 /nfs/dbraw/zinc/41/06/95/1013410695.db2.gz KNNWQAAXVABGFV-AGUYFDCRSA-N 2 2 310.894 3.897 20 0 DHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894622272 1013436017 /nfs/dbraw/zinc/43/60/17/1013436017.db2.gz GGQKXVZTNMQRFH-KRWDZBQOSA-N 2 2 312.379 3.681 20 0 DHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894622272 1013436025 /nfs/dbraw/zinc/43/60/25/1013436025.db2.gz GGQKXVZTNMQRFH-KRWDZBQOSA-N 2 2 312.379 3.681 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894622272 1013436033 /nfs/dbraw/zinc/43/60/33/1013436033.db2.gz GGQKXVZTNMQRFH-KRWDZBQOSA-N 2 2 312.379 3.681 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894622272 1013436041 /nfs/dbraw/zinc/43/60/41/1013436041.db2.gz GGQKXVZTNMQRFH-KRWDZBQOSA-N 2 2 312.379 3.681 20 0 DHADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1Br ZINC000127884203 1013549626 /nfs/dbraw/zinc/54/96/26/1013549626.db2.gz YBBOKVWOSYWHDN-UHFFFAOYSA-N 2 2 322.250 3.524 20 0 DHADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000655689572 1013640487 /nfs/dbraw/zinc/64/04/87/1013640487.db2.gz GPLYSHGNVCQGPS-IBGZPJMESA-N 2 2 321.468 3.944 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000655690868 1013643381 /nfs/dbraw/zinc/64/33/81/1013643381.db2.gz PSLLCVCYGIGXEO-VQIMIIECSA-N 2 2 324.468 3.744 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000655850065 1013777008 /nfs/dbraw/zinc/77/70/08/1013777008.db2.gz CVSDAZUWUMBHSP-KSWRQPAISA-N 2 2 304.503 3.847 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000655850065 1013777014 /nfs/dbraw/zinc/77/70/14/1013777014.db2.gz CVSDAZUWUMBHSP-KSWRQPAISA-N 2 2 304.503 3.847 20 0 DHADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCCO1 ZINC000655850628 1013779301 /nfs/dbraw/zinc/77/93/01/1013779301.db2.gz XZUNPJRIDDTKST-MNEFBYGVSA-N 2 2 313.445 3.871 20 0 DHADLP Cc1ccc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2n1 ZINC000655856714 1013786559 /nfs/dbraw/zinc/78/65/59/1013786559.db2.gz OHMRIMFAZSNSBO-VQTJNVASSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1ccc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)ccc2n1 ZINC000655856714 1013786564 /nfs/dbraw/zinc/78/65/64/1013786564.db2.gz OHMRIMFAZSNSBO-VQTJNVASSA-N 2 2 309.457 3.650 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655856561 1013788084 /nfs/dbraw/zinc/78/80/84/1013788084.db2.gz NQGVNSIORZPDEF-SSHXOBKSSA-N 2 2 318.427 3.962 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655856561 1013788091 /nfs/dbraw/zinc/78/80/91/1013788091.db2.gz NQGVNSIORZPDEF-SSHXOBKSSA-N 2 2 318.427 3.962 20 0 DHADLP CC[NH+](CC)c1ccc(C)c(-n2ccc3cc(C[NH3+])cnc32)c1 ZINC001167316431 1013830039 /nfs/dbraw/zinc/83/00/39/1013830039.db2.gz VLWSRUMQDQGTPW-UHFFFAOYSA-N 2 2 308.429 3.639 20 0 DHADLP Oc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CCC2 ZINC000340473056 1013846559 /nfs/dbraw/zinc/84/65/59/1013846559.db2.gz GMSQYRFGSBXZOA-SFHVURJKSA-N 2 2 311.429 3.647 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccccc1 ZINC000683690592 1013859130 /nfs/dbraw/zinc/85/91/30/1013859130.db2.gz LUYHPZXGQMZMFA-QZTJIDSGSA-N 2 2 321.424 3.964 20 0 DHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000045094632 1032085304 /nfs/dbraw/zinc/08/53/04/1032085304.db2.gz GQEUDKNYKZSAGH-CYBMUJFWSA-N 2 2 322.250 3.777 20 0 DHADLP Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2cc(F)ccc2[nH+]1 ZINC000129845716 1014225643 /nfs/dbraw/zinc/22/56/43/1014225643.db2.gz IYEILIWNBFOKTC-MRXNPFEDSA-N 2 2 323.371 3.735 20 0 DHADLP COC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000564431947 1014236960 /nfs/dbraw/zinc/23/69/60/1014236960.db2.gz MCNFHYKHGQZCHS-YJBOKZPZSA-N 2 2 324.896 3.882 20 0 DHADLP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000564431947 1014236970 /nfs/dbraw/zinc/23/69/70/1014236970.db2.gz MCNFHYKHGQZCHS-YJBOKZPZSA-N 2 2 324.896 3.882 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000656276809 1014301163 /nfs/dbraw/zinc/30/11/63/1014301163.db2.gz INNDOJXBWWRVQU-OTQHQDGKSA-N 2 2 320.427 3.817 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000656276809 1014301174 /nfs/dbraw/zinc/30/11/74/1014301174.db2.gz INNDOJXBWWRVQU-OTQHQDGKSA-N 2 2 320.427 3.817 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(Cc2cc3ccccc3[nH]2)c2cccc[nH+]2)CC1 ZINC000895113193 1014444761 /nfs/dbraw/zinc/44/47/61/1014444761.db2.gz UZMCGBOOEWEQOJ-SAABIXHNSA-N 2 2 320.440 3.839 20 0 DHADLP CS[C@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895131206 1014505373 /nfs/dbraw/zinc/50/53/73/1014505373.db2.gz GTZWAODVWZZNBR-VQHPVUNQSA-N 2 2 319.518 3.832 20 0 DHADLP CCO[C@@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895132734 1014517018 /nfs/dbraw/zinc/51/70/18/1014517018.db2.gz ZAUUGZPHFLMZJG-XLAORIBOSA-N 2 2 317.477 3.506 20 0 DHADLP CCSCC[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000349364485 1014539784 /nfs/dbraw/zinc/53/97/84/1014539784.db2.gz GQVXRNRSHJMKOJ-UHFFFAOYSA-N 2 2 323.893 3.792 20 0 DHADLP CCSCC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000349364485 1014539787 /nfs/dbraw/zinc/53/97/87/1014539787.db2.gz GQVXRNRSHJMKOJ-UHFFFAOYSA-N 2 2 323.893 3.792 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427852151 1014539447 /nfs/dbraw/zinc/53/94/47/1014539447.db2.gz DYFYWRJPXSIYJO-YESZJQIVSA-N 2 2 315.848 3.777 20 0 DHADLP Fc1ccc(C2=CC[C@@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000427870697 1014544869 /nfs/dbraw/zinc/54/48/69/1014544869.db2.gz IZEOPMURHWPTGI-QZTJIDSGSA-N 2 2 311.404 3.563 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000427863835 1014545227 /nfs/dbraw/zinc/54/52/27/1014545227.db2.gz ZQNUHHQPGLRVOJ-ZYHUDNBSSA-N 2 2 310.228 3.856 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC000665250395 1014560937 /nfs/dbraw/zinc/56/09/37/1014560937.db2.gz PPFKZLXVQJDLSW-USXIJHARSA-N 2 2 300.471 3.853 20 0 DHADLP CC(C)OC1CC([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000428098185 1014576226 /nfs/dbraw/zinc/57/62/26/1014576226.db2.gz UDCCAQWXANJPJW-FAEJEUNOSA-N 2 2 304.478 3.661 20 0 DHADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1sccc1Br ZINC000521225582 1014665185 /nfs/dbraw/zinc/66/51/85/1014665185.db2.gz FLVMMUZWVFHRGF-VHSXEESVSA-N 2 2 305.285 3.535 20 0 DHADLP c1ccc(Oc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccn2)cc1 ZINC000656475924 1014706223 /nfs/dbraw/zinc/70/62/23/1014706223.db2.gz POALCJLUKSHWIM-UHFFFAOYSA-N 2 2 323.440 3.590 20 0 DHADLP CC[C@@H](C[NH2+][C@@H](CCCOC)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000442720675 1014724226 /nfs/dbraw/zinc/72/42/26/1014724226.db2.gz UCPKSMXAXXGJKB-OALUTQOASA-N 2 2 322.468 3.757 20 0 DHADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000665295399 1014744149 /nfs/dbraw/zinc/74/41/49/1014744149.db2.gz DAFOSHDQEVBKRO-ZFWWWQNUSA-N 2 2 315.486 3.693 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000443002578 1014788633 /nfs/dbraw/zinc/78/86/33/1014788633.db2.gz PHYWDPKBBCURNT-HNNXBMFYSA-N 2 2 300.368 3.588 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000443002578 1014788642 /nfs/dbraw/zinc/78/86/42/1014788642.db2.gz PHYWDPKBBCURNT-HNNXBMFYSA-N 2 2 300.368 3.588 20 0 DHADLP CCC1([NH+]2CCC2)CCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000895231118 1014954204 /nfs/dbraw/zinc/95/42/04/1014954204.db2.gz JUPMSHZTGWYPOY-UHFFFAOYSA-N 2 2 314.477 3.507 20 0 DHADLP C[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1cnccn1 ZINC001168019677 1014957029 /nfs/dbraw/zinc/95/70/29/1014957029.db2.gz JJBKJZTWYAKZEP-ZACQAIPSSA-N 2 2 324.472 3.569 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@@]1(C)CCCO1)c1ccccc1 ZINC000581598394 1015035141 /nfs/dbraw/zinc/03/51/41/1015035141.db2.gz GFYSKMUNRPFPBB-BHIYHBOVSA-N 2 2 304.478 3.617 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2=O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023843 1015055597 /nfs/dbraw/zinc/05/55/97/1015055597.db2.gz YIMCJPBPCHMVML-NBMJBFSESA-N 2 2 314.473 3.529 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCC2=O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023843 1015055608 /nfs/dbraw/zinc/05/56/08/1015055608.db2.gz YIMCJPBPCHMVML-NBMJBFSESA-N 2 2 314.473 3.529 20 0 DHADLP C[C@H]1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)C1(F)F ZINC000625649710 1015107383 /nfs/dbraw/zinc/10/73/83/1015107383.db2.gz RCDBPECLNHYPPN-KBPBESRZSA-N 2 2 305.372 3.595 20 0 DHADLP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000684377890 1015206469 /nfs/dbraw/zinc/20/64/69/1015206469.db2.gz GLPGDWJMVJNFNQ-CGTJXYLNSA-N 2 2 304.478 3.663 20 0 DHADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000647172627 1015221912 /nfs/dbraw/zinc/22/19/12/1015221912.db2.gz BDLHVTAMDGJNQF-IBGZPJMESA-N 2 2 321.468 3.677 20 0 DHADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000647172627 1015221916 /nfs/dbraw/zinc/22/19/16/1015221916.db2.gz BDLHVTAMDGJNQF-IBGZPJMESA-N 2 2 321.468 3.677 20 0 DHADLP Cc1nc2ccc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)cc2s1 ZINC000895671080 1015253817 /nfs/dbraw/zinc/25/38/17/1015253817.db2.gz NJGOSBCZXDZSGM-UHFFFAOYSA-N 2 2 315.486 3.665 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC(F)(F)C1 ZINC000895705768 1015265847 /nfs/dbraw/zinc/26/58/47/1015265847.db2.gz FVKSSBCOFWYIEK-BBRMVZONSA-N 2 2 305.372 3.648 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000895707320 1015267584 /nfs/dbraw/zinc/26/75/84/1015267584.db2.gz QIJMLBOLJPLEQF-HXUWFJFHSA-N 2 2 320.440 3.550 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000895828538 1015320828 /nfs/dbraw/zinc/32/08/28/1015320828.db2.gz WPRGCAIZTVZGNG-UHFFFAOYSA-N 2 2 324.472 3.527 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000040623018 1015332848 /nfs/dbraw/zinc/33/28/48/1015332848.db2.gz YJOOLMXHKDDWSI-LBPRGKRZSA-N 2 2 318.433 3.555 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000040623018 1015332852 /nfs/dbraw/zinc/33/28/52/1015332852.db2.gz YJOOLMXHKDDWSI-LBPRGKRZSA-N 2 2 318.433 3.555 20 0 DHADLP CC(C)Sc1cccc(Cl)c1C[NH2+]CCC[NH+](C)C ZINC000474458019 1015376191 /nfs/dbraw/zinc/37/61/91/1015376191.db2.gz HJGDHYGWQLMNCH-UHFFFAOYSA-N 2 2 300.899 3.882 20 0 DHADLP C[C@H]1CC([N@H+](C)Cc2ccccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040211 1015529643 /nfs/dbraw/zinc/52/96/43/1015529643.db2.gz LCEPXXHGUNOSTQ-ROUUACIJSA-N 2 2 323.484 3.955 20 0 DHADLP C[C@H]1CC([N@@H+](C)Cc2ccccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040211 1015529652 /nfs/dbraw/zinc/52/96/52/1015529652.db2.gz LCEPXXHGUNOSTQ-ROUUACIJSA-N 2 2 323.484 3.955 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)[N@H+](C)C1CC1 ZINC000474706350 1015554866 /nfs/dbraw/zinc/55/48/66/1015554866.db2.gz AOFXVTZNFWTPFN-UVLXDEKHSA-N 2 2 312.910 3.966 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)[N@@H+](C)C1CC1 ZINC000474706350 1015554872 /nfs/dbraw/zinc/55/48/72/1015554872.db2.gz AOFXVTZNFWTPFN-UVLXDEKHSA-N 2 2 312.910 3.966 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000341588043 1015559937 /nfs/dbraw/zinc/55/99/37/1015559937.db2.gz PNOZFCYBAFLGOS-CABCVRRESA-N 2 2 300.368 3.754 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000341588043 1015559943 /nfs/dbraw/zinc/55/99/43/1015559943.db2.gz PNOZFCYBAFLGOS-CABCVRRESA-N 2 2 300.368 3.754 20 0 DHADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000639376502 1015646248 /nfs/dbraw/zinc/64/62/48/1015646248.db2.gz MMMKTYASWNZOIF-UHFFFAOYSA-N 2 2 318.509 3.548 20 0 DHADLP FC(F)(F)c1cccc(CCCC[NH2+]CC[NH+]2CCCC2)c1 ZINC000474888175 1015689517 /nfs/dbraw/zinc/68/95/17/1015689517.db2.gz OCIWFMOVLXMQSC-UHFFFAOYSA-N 2 2 314.395 3.714 20 0 DHADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc3nc(C)sc3c2)CC1 ZINC000639379918 1015698225 /nfs/dbraw/zinc/69/82/25/1015698225.db2.gz UAWYLPUYESRNEP-UHFFFAOYSA-N 2 2 317.502 3.911 20 0 DHADLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000639380056 1015694680 /nfs/dbraw/zinc/69/46/80/1015694680.db2.gz VLITULKLYMZOTR-UHFFFAOYSA-N 2 2 312.404 3.594 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)c1cccnc1 ZINC000896720980 1015713909 /nfs/dbraw/zinc/71/39/09/1015713909.db2.gz KOZIBCGJWOZHPY-ULQDDVLXSA-N 2 2 321.534 3.584 20 0 DHADLP CCSC[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001173300598 1033656611 /nfs/dbraw/zinc/65/66/11/1033656611.db2.gz MHFWKKRBRFGZGC-INIZCTEOSA-N 2 2 306.519 3.724 20 0 DHADLP CCSC[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001173300598 1033656618 /nfs/dbraw/zinc/65/66/18/1033656618.db2.gz MHFWKKRBRFGZGC-INIZCTEOSA-N 2 2 306.519 3.724 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000192035549 1015761445 /nfs/dbraw/zinc/76/14/45/1015761445.db2.gz JTVIVTKUMDLPBA-MRXNPFEDSA-N 2 2 310.441 3.707 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000133157398 1015775415 /nfs/dbraw/zinc/77/54/15/1015775415.db2.gz LOEVXGWQZHOQMD-LBPRGKRZSA-N 2 2 304.821 3.660 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000133157398 1015775419 /nfs/dbraw/zinc/77/54/19/1015775419.db2.gz LOEVXGWQZHOQMD-LBPRGKRZSA-N 2 2 304.821 3.660 20 0 DHADLP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341869825 1015782017 /nfs/dbraw/zinc/78/20/17/1015782017.db2.gz AKVGNDAZHOQIOY-QWFCFKBJSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341869825 1015782020 /nfs/dbraw/zinc/78/20/20/1015782020.db2.gz AKVGNDAZHOQIOY-QWFCFKBJSA-N 2 2 316.489 3.540 20 0 DHADLP CCc1cc(NC[C@@H]2CCCn3cc(C)[nH+]c32)c2ccccc2[nH+]1 ZINC000443889972 1015782111 /nfs/dbraw/zinc/78/21/11/1015782111.db2.gz SJSJJMIGCDAMIG-HNNXBMFYSA-N 2 2 320.440 3.714 20 0 DHADLP C[N@@H+](CCCc1cccc2ccccc21)CCCn1cc[nH+]c1 ZINC000535668300 1015792527 /nfs/dbraw/zinc/79/25/27/1015792527.db2.gz MUFIUDDNZFHKFG-UHFFFAOYSA-N 2 2 307.441 3.991 20 0 DHADLP C[N@H+](CCCc1cccc2ccccc21)CCCn1cc[nH+]c1 ZINC000535668300 1015792532 /nfs/dbraw/zinc/79/25/32/1015792532.db2.gz MUFIUDDNZFHKFG-UHFFFAOYSA-N 2 2 307.441 3.991 20 0 DHADLP Fc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1Cl ZINC000535804056 1015833637 /nfs/dbraw/zinc/83/36/37/1015833637.db2.gz NUIQWSCFUJHPIQ-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1Cl ZINC000535804056 1015833642 /nfs/dbraw/zinc/83/36/42/1015833642.db2.gz NUIQWSCFUJHPIQ-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000535804056 1015833647 /nfs/dbraw/zinc/83/36/47/1015833647.db2.gz NUIQWSCFUJHPIQ-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000535804056 1015833653 /nfs/dbraw/zinc/83/36/53/1015833653.db2.gz NUIQWSCFUJHPIQ-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000535808773 1015836768 /nfs/dbraw/zinc/83/67/68/1015836768.db2.gz VQXQPIBVQHJISA-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000535808773 1015836773 /nfs/dbraw/zinc/83/67/73/1015836773.db2.gz VQXQPIBVQHJISA-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000535808773 1015836776 /nfs/dbraw/zinc/83/67/76/1015836776.db2.gz VQXQPIBVQHJISA-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000535808773 1015836778 /nfs/dbraw/zinc/83/67/78/1015836778.db2.gz VQXQPIBVQHJISA-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)C2 ZINC000151002161 1016009481 /nfs/dbraw/zinc/00/94/81/1016009481.db2.gz NCGQVXHVWQAWNW-OLZOCXBDSA-N 2 2 323.362 3.876 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)C2 ZINC000151017125 1016011979 /nfs/dbraw/zinc/01/19/79/1016011979.db2.gz BUHGVZGYWASTSF-IUODEOHRSA-N 2 2 323.362 3.876 20 0 DHADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151326509 1016034513 /nfs/dbraw/zinc/03/45/13/1016034513.db2.gz NHWQSTFQBGKBHA-IIBYNOLFSA-N 2 2 317.436 3.955 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000151352113 1016037542 /nfs/dbraw/zinc/03/75/42/1016037542.db2.gz GYSRQSKSLJDSTK-HNNXBMFYSA-N 2 2 309.388 3.921 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CS1 ZINC000277240835 1016093965 /nfs/dbraw/zinc/09/39/65/1016093965.db2.gz NCQWZLCDHMRURI-ROUUACIJSA-N 2 2 315.486 3.551 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CS1 ZINC000277240815 1016094986 /nfs/dbraw/zinc/09/49/86/1016094986.db2.gz NCQWZLCDHMRURI-MSOLQXFVSA-N 2 2 315.486 3.551 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892119584 1016260936 /nfs/dbraw/zinc/26/09/36/1016260936.db2.gz FWQNCYCBORHNKP-CQSZACIVSA-N 2 2 314.395 3.927 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892119584 1016260938 /nfs/dbraw/zinc/26/09/38/1016260938.db2.gz FWQNCYCBORHNKP-CQSZACIVSA-N 2 2 314.395 3.927 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000346627701 1016488159 /nfs/dbraw/zinc/48/81/59/1016488159.db2.gz AAQFMUABUPVTIZ-KOLCDFICSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000346627701 1016488163 /nfs/dbraw/zinc/48/81/63/1016488163.db2.gz AAQFMUABUPVTIZ-KOLCDFICSA-N 2 2 306.759 3.528 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CCCC12CC2 ZINC000582312580 1016578806 /nfs/dbraw/zinc/57/88/06/1016578806.db2.gz CTILLLBECKBSAN-INIZCTEOSA-N 2 2 301.821 3.948 20 0 DHADLP C[NH+](C)Cc1ccc(-c2ccc(C(F)(F)C[NH3+])cc2)cc1F ZINC000629709470 1016584997 /nfs/dbraw/zinc/58/49/97/1016584997.db2.gz YPDLCHBTIFTKKO-UHFFFAOYSA-N 2 2 308.347 3.605 20 0 DHADLP Cc1ccc(OCCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000109795710 1016586813 /nfs/dbraw/zinc/58/68/13/1016586813.db2.gz RBHOBXKTWRFWMH-UHFFFAOYSA-N 2 2 313.445 3.606 20 0 DHADLP CO[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3C)c2)[C@@H](C[NH3+])C1 ZINC000346826734 1016590325 /nfs/dbraw/zinc/59/03/25/1016590325.db2.gz MLYSJQABSAKYMB-WOJBJXKFSA-N 2 2 324.468 3.600 20 0 DHADLP CO[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3C)c2)[C@@H](C[NH3+])C1 ZINC000346826734 1016590338 /nfs/dbraw/zinc/59/03/38/1016590338.db2.gz MLYSJQABSAKYMB-WOJBJXKFSA-N 2 2 324.468 3.600 20 0 DHADLP C[C@H]([NH2+]CCOC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336864819 1016726592 /nfs/dbraw/zinc/72/65/92/1016726592.db2.gz AYBXHTNBKMIKFC-INIZCTEOSA-N 2 2 313.445 3.872 20 0 DHADLP C[N@H+](Cc1cnc(C2CCCC2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347090377 1016726742 /nfs/dbraw/zinc/72/67/42/1016726742.db2.gz FVYIICDSSWNKBE-YIONKMFJSA-N 2 2 305.491 3.516 20 0 DHADLP C[N@@H+](Cc1cnc(C2CCCC2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347090377 1016726754 /nfs/dbraw/zinc/72/67/54/1016726754.db2.gz FVYIICDSSWNKBE-YIONKMFJSA-N 2 2 305.491 3.516 20 0 DHADLP CCC[N@H+](Cc1ncc(-c2ccccc2)s1)C1CC[NH2+]CC1 ZINC000347218001 1016793914 /nfs/dbraw/zinc/79/39/14/1016793914.db2.gz SERWBTNGHNHTAJ-UHFFFAOYSA-N 2 2 315.486 3.774 20 0 DHADLP CCC[N@@H+](Cc1ncc(-c2ccccc2)s1)C1CC[NH2+]CC1 ZINC000347218001 1016793929 /nfs/dbraw/zinc/79/39/29/1016793929.db2.gz SERWBTNGHNHTAJ-UHFFFAOYSA-N 2 2 315.486 3.774 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000174219217 1016814038 /nfs/dbraw/zinc/81/40/38/1016814038.db2.gz SKLIDWXRHPDWIG-KRWDZBQOSA-N 2 2 304.478 3.638 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2OC(C)C)C1 ZINC000174219217 1016814052 /nfs/dbraw/zinc/81/40/52/1016814052.db2.gz SKLIDWXRHPDWIG-KRWDZBQOSA-N 2 2 304.478 3.638 20 0 DHADLP C[C@H]1CC([N@@H+]2CCOCC2(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053561 1016930867 /nfs/dbraw/zinc/93/08/67/1016930867.db2.gz PEKQNJPPPQNVEM-IRXDYDNUSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@H]1CC([N@H+]2CCOCC2(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053561 1016930880 /nfs/dbraw/zinc/93/08/80/1016930880.db2.gz PEKQNJPPPQNVEM-IRXDYDNUSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001168057794 1017044267 /nfs/dbraw/zinc/04/42/67/1017044267.db2.gz NTXYTSLHTUMTAA-WNRNVDISSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001168057794 1017044272 /nfs/dbraw/zinc/04/42/72/1017044272.db2.gz NTXYTSLHTUMTAA-WNRNVDISSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001168057792 1017045753 /nfs/dbraw/zinc/04/57/53/1017045753.db2.gz NTXYTSLHTUMTAA-VBRUWADQSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001168057792 1017045757 /nfs/dbraw/zinc/04/57/57/1017045757.db2.gz NTXYTSLHTUMTAA-VBRUWADQSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001168057792 1017045761 /nfs/dbraw/zinc/04/57/61/1017045761.db2.gz NTXYTSLHTUMTAA-VBRUWADQSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001168057792 1017045765 /nfs/dbraw/zinc/04/57/65/1017045765.db2.gz NTXYTSLHTUMTAA-VBRUWADQSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)CO1 ZINC001168057800 1017046690 /nfs/dbraw/zinc/04/66/90/1017046690.db2.gz NTXYTSLHTUMTAA-ZJPYXAASSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)CO1 ZINC001168057800 1017046696 /nfs/dbraw/zinc/04/66/96/1017046696.db2.gz NTXYTSLHTUMTAA-ZJPYXAASSA-N 2 2 316.489 3.537 20 0 DHADLP COC1CCC(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000361927425 1032158159 /nfs/dbraw/zinc/15/81/59/1032158159.db2.gz MPJCAVDGSAGSAI-LYGPFTKASA-N 2 2 313.445 3.728 20 0 DHADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000294889970 1032196059 /nfs/dbraw/zinc/19/60/59/1032196059.db2.gz YIXHLSSUQBNKEJ-MOPGFXCFSA-N 2 2 314.473 3.515 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171296000 1032272435 /nfs/dbraw/zinc/27/24/35/1032272435.db2.gz YEIYUDYUSJXZNG-CQSZACIVSA-N 2 2 324.896 3.527 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171296000 1032272440 /nfs/dbraw/zinc/27/24/40/1032272440.db2.gz YEIYUDYUSJXZNG-CQSZACIVSA-N 2 2 324.896 3.527 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091261401 1032438281 /nfs/dbraw/zinc/43/82/81/1032438281.db2.gz HRPRAGGGAIEIKD-CYBMUJFWSA-N 2 2 322.884 3.609 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000537648427 1032578706 /nfs/dbraw/zinc/57/87/06/1032578706.db2.gz RNDCWGRQNGJGCP-KYJSFNMBSA-N 2 2 302.462 3.567 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000537648427 1032578711 /nfs/dbraw/zinc/57/87/11/1032578711.db2.gz RNDCWGRQNGJGCP-KYJSFNMBSA-N 2 2 302.462 3.567 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000537648427 1032578718 /nfs/dbraw/zinc/57/87/18/1032578718.db2.gz RNDCWGRQNGJGCP-KYJSFNMBSA-N 2 2 302.462 3.567 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000537648427 1032578726 /nfs/dbraw/zinc/57/87/26/1032578726.db2.gz RNDCWGRQNGJGCP-KYJSFNMBSA-N 2 2 302.462 3.567 20 0 DHADLP CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092079859 1011991750 /nfs/dbraw/zinc/99/17/50/1011991750.db2.gz GNRDWERBDQPTOR-KRWDZBQOSA-N 2 2 312.461 3.636 20 0 DHADLP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092079859 1011991758 /nfs/dbraw/zinc/99/17/58/1011991758.db2.gz GNRDWERBDQPTOR-KRWDZBQOSA-N 2 2 312.461 3.636 20 0 DHADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1C(F)(F)F ZINC001206769346 1012275677 /nfs/dbraw/zinc/27/56/77/1012275677.db2.gz OOIWXFLHFPDPHH-WDEREUQCSA-N 2 2 320.786 3.918 20 0 DHADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1C(F)(F)F ZINC001206769346 1012275692 /nfs/dbraw/zinc/27/56/92/1012275692.db2.gz OOIWXFLHFPDPHH-WDEREUQCSA-N 2 2 320.786 3.918 20 0 DHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1C(F)(F)F ZINC001206770394 1012327901 /nfs/dbraw/zinc/32/79/01/1012327901.db2.gz RXORQOOFCNSPFK-GHMZBOCLSA-N 2 2 320.786 3.918 20 0 DHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1C(F)(F)F ZINC001206770394 1012327917 /nfs/dbraw/zinc/32/79/17/1012327917.db2.gz RXORQOOFCNSPFK-GHMZBOCLSA-N 2 2 320.786 3.918 20 0 DHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1C(F)(F)F ZINC001206770404 1012333997 /nfs/dbraw/zinc/33/39/97/1012333997.db2.gz RXORQOOFCNSPFK-QWRGUYRKSA-N 2 2 320.786 3.918 20 0 DHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1C(F)(F)F ZINC001206770404 1012334013 /nfs/dbraw/zinc/33/40/13/1012334013.db2.gz RXORQOOFCNSPFK-QWRGUYRKSA-N 2 2 320.786 3.918 20 0 DHADLP CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000348041437 1012387171 /nfs/dbraw/zinc/38/71/71/1012387171.db2.gz NJQWQOBVJQQGJU-HOTGVXAUSA-N 2 2 314.477 3.562 20 0 DHADLP CS[C@H]1CC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000425370334 1012504655 /nfs/dbraw/zinc/50/46/55/1012504655.db2.gz NWXBDFNNMDKVEC-SJORKVTESA-N 2 2 304.503 3.525 20 0 DHADLP CS[C@H]1CC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000425370334 1012504667 /nfs/dbraw/zinc/50/46/67/1012504667.db2.gz NWXBDFNNMDKVEC-SJORKVTESA-N 2 2 304.503 3.525 20 0 DHADLP Cc1nc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)s1 ZINC000037156041 1032641769 /nfs/dbraw/zinc/64/17/69/1032641769.db2.gz PRQXFULERAANSK-FZMZJTMJSA-N 2 2 306.479 3.722 20 0 DHADLP COCCC1(C[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)CCCCC1 ZINC000436278773 1012707879 /nfs/dbraw/zinc/70/78/79/1012707879.db2.gz DOKKFVZTOHTEAP-SFHVURJKSA-N 2 2 310.526 3.683 20 0 DHADLP [NH3+][C@@H]1C[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)c2ccccc21 ZINC000261937103 1012746274 /nfs/dbraw/zinc/74/62/74/1012746274.db2.gz UCAUZQSHFDVTKX-MSOLQXFVSA-N 2 2 308.429 3.629 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000037157148 1012852682 /nfs/dbraw/zinc/85/26/82/1012852682.db2.gz LKXZGLRTDHAPGW-WFASDCNBSA-N 2 2 322.250 3.775 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)C[NH+](C)C ZINC000425945364 1012991326 /nfs/dbraw/zinc/99/13/26/1012991326.db2.gz QNZSEQKNPSCDPY-HZMBPMFUSA-N 2 2 301.261 3.768 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037320438 1013006283 /nfs/dbraw/zinc/00/62/83/1013006283.db2.gz AJMNYFAPLTXMKM-VXGBXAGGSA-N 2 2 306.479 3.685 20 0 DHADLP Clc1ccccc1CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000342748894 1017163986 /nfs/dbraw/zinc/16/39/86/1017163986.db2.gz IUTYQMISPJMFBZ-HNNXBMFYSA-N 2 2 303.837 3.875 20 0 DHADLP Clc1ccccc1CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000342748894 1017163996 /nfs/dbraw/zinc/16/39/96/1017163996.db2.gz IUTYQMISPJMFBZ-HNNXBMFYSA-N 2 2 303.837 3.875 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000657527879 1017194039 /nfs/dbraw/zinc/19/40/39/1017194039.db2.gz ZFUWHJLNUCEVFH-JXQTWKCFSA-N 2 2 306.416 3.818 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000657527879 1017194045 /nfs/dbraw/zinc/19/40/45/1017194045.db2.gz ZFUWHJLNUCEVFH-JXQTWKCFSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C[N@@H+]1C1CC1 ZINC000623834419 1017530340 /nfs/dbraw/zinc/53/03/40/1017530340.db2.gz XQBDVXMXLWLNND-JSGCOSHPSA-N 2 2 317.864 3.579 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C[N@H+]1C1CC1 ZINC000623834419 1017530348 /nfs/dbraw/zinc/53/03/48/1017530348.db2.gz XQBDVXMXLWLNND-JSGCOSHPSA-N 2 2 317.864 3.579 20 0 DHADLP CC[C@@H](CCc1ccccc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000623860654 1017535716 /nfs/dbraw/zinc/53/57/16/1017535716.db2.gz AMZBATCFTNCLCT-SFHVURJKSA-N 2 2 311.473 3.763 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857900869 1032708098 /nfs/dbraw/zinc/70/80/98/1032708098.db2.gz FLLGQULSWCKEMS-ZFWWWQNUSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857900869 1032708109 /nfs/dbraw/zinc/70/81/09/1032708109.db2.gz FLLGQULSWCKEMS-ZFWWWQNUSA-N 2 2 307.869 3.576 20 0 DHADLP Cc1cc(C)cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000657625670 1017606363 /nfs/dbraw/zinc/60/63/63/1017606363.db2.gz AYZATORTICXSII-UHFFFAOYSA-N 2 2 314.395 3.810 20 0 DHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC2CC2)cc1 ZINC000181230558 1017732894 /nfs/dbraw/zinc/73/28/94/1017732894.db2.gz MOSYMLJGKYRLKS-UHFFFAOYSA-N 2 2 313.445 3.584 20 0 DHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC2CC2)cc1 ZINC000181230558 1017732902 /nfs/dbraw/zinc/73/29/02/1017732902.db2.gz MOSYMLJGKYRLKS-UHFFFAOYSA-N 2 2 313.445 3.584 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1c(C)cccc1C ZINC001167636582 1017828731 /nfs/dbraw/zinc/82/87/31/1017828731.db2.gz UDWIKBFEJAHDJJ-MOPGFXCFSA-N 2 2 316.489 3.631 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOc1c(C)cccc1C ZINC001167636582 1017828743 /nfs/dbraw/zinc/82/87/43/1017828743.db2.gz UDWIKBFEJAHDJJ-MOPGFXCFSA-N 2 2 316.489 3.631 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOc1c(C)cccc1C ZINC001167636582 1017828759 /nfs/dbraw/zinc/82/87/59/1017828759.db2.gz UDWIKBFEJAHDJJ-MOPGFXCFSA-N 2 2 316.489 3.631 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1c(C)cccc1C ZINC001167636582 1017828772 /nfs/dbraw/zinc/82/87/72/1017828772.db2.gz UDWIKBFEJAHDJJ-MOPGFXCFSA-N 2 2 316.489 3.631 20 0 DHADLP CC[NH+](CC)C1CC[NH+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171487216 1032729874 /nfs/dbraw/zinc/72/98/74/1032729874.db2.gz JIYLEGZGCXPKNO-QGZVFWFLSA-N 2 2 322.443 3.628 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000182869284 1017965573 /nfs/dbraw/zinc/96/55/73/1017965573.db2.gz RZOGXXANJFQECH-FQEVSTJZSA-N 2 2 305.425 3.961 20 0 DHADLP Fc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445811516 1017978585 /nfs/dbraw/zinc/97/85/85/1017978585.db2.gz SAGXTKMXBDVAPT-SCLBCKFNSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(Cl)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445811516 1017978593 /nfs/dbraw/zinc/97/85/93/1017978593.db2.gz SAGXTKMXBDVAPT-SCLBCKFNSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000445811516 1017978600 /nfs/dbraw/zinc/97/86/00/1017978600.db2.gz SAGXTKMXBDVAPT-SCLBCKFNSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000445811516 1017978610 /nfs/dbraw/zinc/97/86/10/1017978610.db2.gz SAGXTKMXBDVAPT-SCLBCKFNSA-N 2 2 322.855 3.928 20 0 DHADLP CCC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccnc1 ZINC000184995511 1018103629 /nfs/dbraw/zinc/10/36/29/1018103629.db2.gz YKIHSONLNNLPHD-HXUWFJFHSA-N 2 2 320.440 3.957 20 0 DHADLP CCC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccnc1 ZINC000184995489 1018104913 /nfs/dbraw/zinc/10/49/13/1018104913.db2.gz YKIHSONLNNLPHD-FQEVSTJZSA-N 2 2 320.440 3.957 20 0 DHADLP Clc1cccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000040860726 1018297753 /nfs/dbraw/zinc/29/77/53/1018297753.db2.gz WAJYSTRYZLFXJI-UHFFFAOYSA-N 2 2 322.880 3.669 20 0 DHADLP Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000447073177 1018332384 /nfs/dbraw/zinc/33/23/84/1018332384.db2.gz RXFLHUHYHZCLRI-UHFFFAOYSA-N 2 2 302.443 3.803 20 0 DHADLP Fc1ccccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063215 1018357190 /nfs/dbraw/zinc/35/71/90/1018357190.db2.gz PAIWKWWCSOKIHS-UHFFFAOYSA-N 2 2 301.409 3.715 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3cc(C)ccc32)cn1 ZINC000765252716 1018731946 /nfs/dbraw/zinc/73/19/46/1018731946.db2.gz XLKUYMFVTDGMFV-IBGZPJMESA-N 2 2 318.424 3.661 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000765254635 1018737153 /nfs/dbraw/zinc/73/71/53/1018737153.db2.gz ZQUIGQMWKGPRAB-RDTXWAMCSA-N 2 2 313.445 3.679 20 0 DHADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000314658920 1018756761 /nfs/dbraw/zinc/75/67/61/1018756761.db2.gz FAYLJLPGLMTODK-GDBMZVCRSA-N 2 2 312.379 3.669 20 0 DHADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000314658920 1018756776 /nfs/dbraw/zinc/75/67/76/1018756776.db2.gz FAYLJLPGLMTODK-GDBMZVCRSA-N 2 2 312.379 3.669 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657814705 1018812131 /nfs/dbraw/zinc/81/21/31/1018812131.db2.gz BUEOBZPKOCCGDW-MSOLQXFVSA-N 2 2 306.519 3.945 20 0 DHADLP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000921518822 1018816781 /nfs/dbraw/zinc/81/67/81/1018816781.db2.gz YFVDJVXVTDIKHQ-ZWKOTPCHSA-N 2 2 315.486 3.695 20 0 DHADLP Clc1ccccc1[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000657818198 1018860926 /nfs/dbraw/zinc/86/09/26/1018860926.db2.gz ACKQGDJSFBFOJG-RDJZCZTQSA-N 2 2 303.837 3.853 20 0 DHADLP Clc1cccc2c(N3CCN(c4cc[nH+]cc4)CC3)cc[nH+]c12 ZINC000672144208 1018927105 /nfs/dbraw/zinc/92/71/05/1018927105.db2.gz DLAMBIHOVHRHIR-UHFFFAOYSA-N 2 2 324.815 3.610 20 0 DHADLP Clc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1Cl ZINC001168356777 1032795774 /nfs/dbraw/zinc/79/57/74/1032795774.db2.gz WNUKACPPTKZNQF-UHFFFAOYSA-N 2 2 313.272 3.957 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccn1 ZINC000159156364 1019009060 /nfs/dbraw/zinc/00/90/60/1019009060.db2.gz GCDWKDHMUHDYKK-SJORKVTESA-N 2 2 309.457 3.958 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000677653665 1019024195 /nfs/dbraw/zinc/02/41/95/1019024195.db2.gz DMWYQFUITVZCKJ-YGRLFVJLSA-N 2 2 301.261 3.911 20 0 DHADLP C[NH+]1C(C)(C)CC([NH2+][C@@H]2COc3ccc(F)cc32)CC1(C)C ZINC001171624846 1032806097 /nfs/dbraw/zinc/80/60/97/1032806097.db2.gz ZPKBOWPPXLYUMY-OAHLLOKOSA-N 2 2 306.425 3.500 20 0 DHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2ccncc2s1 ZINC000657843928 1019133791 /nfs/dbraw/zinc/13/37/91/1019133791.db2.gz LKZPWLFPFYUYJY-ZDUSSCGKSA-N 2 2 300.431 3.624 20 0 DHADLP CO[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000338567698 1019208169 /nfs/dbraw/zinc/20/81/69/1019208169.db2.gz AIHFCPJLPIVDPK-JXFKEZNVSA-N 2 2 321.424 3.911 20 0 DHADLP CO[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000338567699 1019208688 /nfs/dbraw/zinc/20/86/88/1019208688.db2.gz AIHFCPJLPIVDPK-OXJNMPFZSA-N 2 2 321.424 3.911 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC000090452425 1019389049 /nfs/dbraw/zinc/38/90/49/1019389049.db2.gz DLNFFEYRTVVIDY-HNAYVOBHSA-N 2 2 319.408 3.965 20 0 DHADLP Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000090519898 1019407717 /nfs/dbraw/zinc/40/77/17/1019407717.db2.gz MBVWUSARGAEMRO-OXQOHEQNSA-N 2 2 321.424 3.565 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)[nH]1 ZINC000092072512 1019498751 /nfs/dbraw/zinc/49/87/51/1019498751.db2.gz LILSVJAVHHTJDH-OAHLLOKOSA-N 2 2 324.453 3.913 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)[nH]1 ZINC000092072512 1019498763 /nfs/dbraw/zinc/49/87/63/1019498763.db2.gz LILSVJAVHHTJDH-OAHLLOKOSA-N 2 2 324.453 3.913 20 0 DHADLP COc1ccc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000092071679 1019501317 /nfs/dbraw/zinc/50/13/17/1019501317.db2.gz JMAVWQYLBNOFBS-GOSISDBHSA-N 2 2 321.424 3.951 20 0 DHADLP COc1ccc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000092071679 1019501329 /nfs/dbraw/zinc/50/13/29/1019501329.db2.gz JMAVWQYLBNOFBS-GOSISDBHSA-N 2 2 321.424 3.951 20 0 DHADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000093942431 1019592182 /nfs/dbraw/zinc/59/21/82/1019592182.db2.gz MDMRAVKGVYWJJW-JZXOWHBKSA-N 2 2 301.478 3.855 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccns1 ZINC000858317944 1032843679 /nfs/dbraw/zinc/84/36/79/1032843679.db2.gz IVJWGXAPGRPRPB-ZOBUZTSGSA-N 2 2 315.486 3.847 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccns1 ZINC000858317944 1032843694 /nfs/dbraw/zinc/84/36/94/1032843694.db2.gz IVJWGXAPGRPRPB-ZOBUZTSGSA-N 2 2 315.486 3.847 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000858320802 1032846698 /nfs/dbraw/zinc/84/66/98/1032846698.db2.gz JGOYCPLHLDOHOV-INIZCTEOSA-N 2 2 301.821 3.578 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000526983864 1019738022 /nfs/dbraw/zinc/73/80/22/1019738022.db2.gz KCWVXJWUKJZYCG-HESLUPGFSA-N 2 2 306.416 3.675 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000526983864 1019738039 /nfs/dbraw/zinc/73/80/39/1019738039.db2.gz KCWVXJWUKJZYCG-HESLUPGFSA-N 2 2 306.416 3.675 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657885674 1019745095 /nfs/dbraw/zinc/74/50/95/1019745095.db2.gz FAZFKXZICJGFKG-APWZRJJASA-N 2 2 324.472 3.533 20 0 DHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657885678 1019746167 /nfs/dbraw/zinc/74/61/67/1019746167.db2.gz FAZFKXZICJGFKG-LPHOPBHVSA-N 2 2 324.472 3.533 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470392 1019850526 /nfs/dbraw/zinc/85/05/26/1019850526.db2.gz KFRJIGXFKNMKID-ZYHUDNBSSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470392 1019850540 /nfs/dbraw/zinc/85/05/40/1019850540.db2.gz KFRJIGXFKNMKID-ZYHUDNBSSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470392 1019850553 /nfs/dbraw/zinc/85/05/53/1019850553.db2.gz KFRJIGXFKNMKID-ZYHUDNBSSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470392 1019850566 /nfs/dbraw/zinc/85/05/66/1019850566.db2.gz KFRJIGXFKNMKID-ZYHUDNBSSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)Cn1cc[nH+]c1 ZINC000067500705 1019984399 /nfs/dbraw/zinc/98/43/99/1019984399.db2.gz AGSSBTGPNJSTAP-CQSZACIVSA-N 2 2 313.376 3.708 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000359601378 1020017073 /nfs/dbraw/zinc/01/70/73/1020017073.db2.gz UUYKBTPNSGCAGP-IUODEOHRSA-N 2 2 310.894 3.951 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000359601378 1020017086 /nfs/dbraw/zinc/01/70/86/1020017086.db2.gz UUYKBTPNSGCAGP-IUODEOHRSA-N 2 2 310.894 3.951 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000685662124 1020020315 /nfs/dbraw/zinc/02/03/15/1020020315.db2.gz GEDUALBUAJOFKF-TVQRCGJNSA-N 2 2 322.239 3.851 20 0 DHADLP COCc1csc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000877794655 1033454004 /nfs/dbraw/zinc/45/40/04/1033454004.db2.gz OMRPVWCUJFYZJA-UHFFFAOYSA-N 2 2 322.518 3.735 20 0 DHADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020864 1020093386 /nfs/dbraw/zinc/09/33/86/1020093386.db2.gz ZXYDVMYJMJXGCA-CABCVRRESA-N 2 2 303.837 3.531 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000926945895 1032881161 /nfs/dbraw/zinc/88/11/61/1032881161.db2.gz QNRKIAHYHPZCOJ-OSAQELSMSA-N 2 2 309.335 3.721 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000673601521 1020179796 /nfs/dbraw/zinc/17/97/96/1020179796.db2.gz WPVNICDVDBGWQP-LLBKUYECSA-N 2 2 300.368 3.648 20 0 DHADLP Fc1ccc(C2CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000655848951 1020421472 /nfs/dbraw/zinc/42/14/72/1020421472.db2.gz MIDJONNYODGNNX-JDGDGYACSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccc(C2CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000655848951 1020421481 /nfs/dbraw/zinc/42/14/81/1020421481.db2.gz MIDJONNYODGNNX-JDGDGYACSA-N 2 2 302.437 3.678 20 0 DHADLP C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347953909 1020463959 /nfs/dbraw/zinc/46/39/59/1020463959.db2.gz LOKRVVIXBJIOKT-HIFRSBDPSA-N 2 2 319.518 3.763 20 0 DHADLP C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347953909 1020463968 /nfs/dbraw/zinc/46/39/68/1020463968.db2.gz LOKRVVIXBJIOKT-HIFRSBDPSA-N 2 2 319.518 3.763 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000348049417 1020484313 /nfs/dbraw/zinc/48/43/13/1020484313.db2.gz QVFXYROXRYIVJI-UHFFFAOYSA-N 2 2 309.816 3.896 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1c(F)cccc1Cl ZINC000348049417 1020484318 /nfs/dbraw/zinc/48/43/18/1020484318.db2.gz QVFXYROXRYIVJI-UHFFFAOYSA-N 2 2 309.816 3.896 20 0 DHADLP C[C@@H](CC[NH2+]Cc1[nH]nc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000673811361 1020501257 /nfs/dbraw/zinc/50/12/57/1020501257.db2.gz KXXCTSAZYWOQKJ-INIZCTEOSA-N 2 2 322.456 3.563 20 0 DHADLP C[C@@H](CC[NH2+]Cc1[nH]nc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000673811361 1020501264 /nfs/dbraw/zinc/50/12/64/1020501264.db2.gz KXXCTSAZYWOQKJ-INIZCTEOSA-N 2 2 322.456 3.563 20 0 DHADLP [NH3+]CC1CC[NH+](Cc2c(F)c(Cl)ccc2C(F)(F)F)CC1 ZINC001205033553 1020565245 /nfs/dbraw/zinc/56/52/45/1020565245.db2.gz JMPDFMJIJZUPNL-UHFFFAOYSA-N 2 2 324.749 3.669 20 0 DHADLP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]CCn3cc[nH+]c3)C2)c1 ZINC000414073078 1020844363 /nfs/dbraw/zinc/84/43/63/1020844363.db2.gz VOPXJOZPHVSQFJ-NVXWUHKLSA-N 2 2 303.837 3.853 20 0 DHADLP CCc1ccc([C@H]([NH2+]C2CC[NH+](CC)CC2)c2cccnc2)cc1 ZINC000924570146 1020883715 /nfs/dbraw/zinc/88/37/15/1020883715.db2.gz MPBDLPSBWZNCQG-NRFANRHFSA-N 2 2 323.484 3.807 20 0 DHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1C[C@H]1C ZINC000414113623 1020906454 /nfs/dbraw/zinc/90/64/54/1020906454.db2.gz KXJUAHYWDZVVFN-NTDBWNAOSA-N 2 2 316.489 3.521 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+]CC[N@@H+]3CCC[C@@H]3C)ccc2c1 ZINC000766269333 1020999518 /nfs/dbraw/zinc/99/95/18/1020999518.db2.gz OIWKSZCJRATGTN-HOTGVXAUSA-N 2 2 312.457 3.983 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+]CC[N@H+]3CCC[C@@H]3C)ccc2c1 ZINC000766269333 1020999525 /nfs/dbraw/zinc/99/95/25/1020999525.db2.gz OIWKSZCJRATGTN-HOTGVXAUSA-N 2 2 312.457 3.983 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c2ccccc12 ZINC000766274770 1021036948 /nfs/dbraw/zinc/03/69/48/1021036948.db2.gz UTGZKPIPFVHLQS-HZPDHXFCSA-N 2 2 312.457 3.983 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c2ccccc12 ZINC000766274770 1021036954 /nfs/dbraw/zinc/03/69/54/1021036954.db2.gz UTGZKPIPFVHLQS-HZPDHXFCSA-N 2 2 312.457 3.983 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1C(F)(F)F ZINC000414309650 1021078490 /nfs/dbraw/zinc/07/84/90/1021078490.db2.gz VIJRUVFVDKXHAD-GFCCVEGCSA-N 2 2 311.351 3.636 20 0 DHADLP COc1cccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000742392877 1021111035 /nfs/dbraw/zinc/11/10/35/1021111035.db2.gz UOBWMGIRDDVDKD-OAHLLOKOSA-N 2 2 307.397 3.732 20 0 DHADLP COc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000742392531 1021111101 /nfs/dbraw/zinc/11/11/01/1021111101.db2.gz QBASPZKVARXKIS-HNNXBMFYSA-N 2 2 307.397 3.732 20 0 DHADLP CC(C)(C)OC1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926785513 1021202431 /nfs/dbraw/zinc/20/24/31/1021202431.db2.gz MCSMNJHKLOGGAX-ZGUYJTEBSA-N 2 2 308.510 3.719 20 0 DHADLP CC(C)(C)OC1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926785513 1021202437 /nfs/dbraw/zinc/20/24/37/1021202437.db2.gz MCSMNJHKLOGGAX-ZGUYJTEBSA-N 2 2 308.510 3.719 20 0 DHADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001171983934 1032967148 /nfs/dbraw/zinc/96/71/48/1032967148.db2.gz QSSNGBDLMBSTKZ-ZWKOTPCHSA-N 2 2 314.473 3.531 20 0 DHADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001171983934 1032967155 /nfs/dbraw/zinc/96/71/55/1032967155.db2.gz QSSNGBDLMBSTKZ-ZWKOTPCHSA-N 2 2 314.473 3.531 20 0 DHADLP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926799929 1021312630 /nfs/dbraw/zinc/31/26/30/1021312630.db2.gz VVBZSWNHUHIIHP-JJXSEGSLSA-N 2 2 316.411 3.738 20 0 DHADLP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926799929 1021312645 /nfs/dbraw/zinc/31/26/45/1021312645.db2.gz VVBZSWNHUHIIHP-JJXSEGSLSA-N 2 2 316.411 3.738 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2ccncc2s1 ZINC000850060995 1021407282 /nfs/dbraw/zinc/40/72/82/1021407282.db2.gz XZMPSYUDVLRNOY-INIZCTEOSA-N 2 2 314.458 3.697 20 0 DHADLP CC[C@H](C)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000093076302 1021508515 /nfs/dbraw/zinc/50/85/15/1021508515.db2.gz KLFSMQONKJJPKY-IRXDYDNUSA-N 2 2 304.478 3.522 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)oc1C ZINC000337419320 1032984576 /nfs/dbraw/zinc/98/45/76/1032984576.db2.gz QJAJERZACKJFEF-HNNXBMFYSA-N 2 2 309.413 3.992 20 0 DHADLP Fc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000538099855 1032984735 /nfs/dbraw/zinc/98/47/35/1032984735.db2.gz DOOKIAAVPGNUMA-PKOBYXMFSA-N 2 2 302.437 3.883 20 0 DHADLP Fc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000538099855 1032984746 /nfs/dbraw/zinc/98/47/46/1032984746.db2.gz DOOKIAAVPGNUMA-PKOBYXMFSA-N 2 2 302.437 3.883 20 0 DHADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H]3CCC[N@@H+]3C)cc2)cs1 ZINC000649574926 1021536127 /nfs/dbraw/zinc/53/61/27/1021536127.db2.gz YBCNWBZPTBCWKS-DYVFJYSZSA-N 2 2 315.486 3.863 20 0 DHADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H]3CCC[N@H+]3C)cc2)cs1 ZINC000649574926 1021536138 /nfs/dbraw/zinc/53/61/38/1021536138.db2.gz YBCNWBZPTBCWKS-DYVFJYSZSA-N 2 2 315.486 3.863 20 0 DHADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000556118922 1021542432 /nfs/dbraw/zinc/54/24/32/1021542432.db2.gz MLIJIAPSVGDWDO-HKBOAZHASA-N 2 2 324.468 3.799 20 0 DHADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000556118922 1021542441 /nfs/dbraw/zinc/54/24/41/1021542441.db2.gz MLIJIAPSVGDWDO-HKBOAZHASA-N 2 2 324.468 3.799 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000850495137 1021562434 /nfs/dbraw/zinc/56/24/34/1021562434.db2.gz XEVPGFXYBUGGKU-OALUTQOASA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000850495137 1021562439 /nfs/dbraw/zinc/56/24/39/1021562439.db2.gz XEVPGFXYBUGGKU-OALUTQOASA-N 2 2 316.489 3.617 20 0 DHADLP FCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069781 1032995619 /nfs/dbraw/zinc/99/56/19/1032995619.db2.gz XFRVDYYFIFYBAK-BCDXTJNWSA-N 2 2 302.437 3.664 20 0 DHADLP FCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069781 1032995637 /nfs/dbraw/zinc/99/56/37/1032995637.db2.gz XFRVDYYFIFYBAK-BCDXTJNWSA-N 2 2 302.437 3.664 20 0 DHADLP COc1ccc2ccccc2c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643835 1021638985 /nfs/dbraw/zinc/63/89/85/1021638985.db2.gz GUMILWNWBLSPPI-WBVHZDCISA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc2ccccc2c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643835 1021638989 /nfs/dbraw/zinc/63/89/89/1021638989.db2.gz GUMILWNWBLSPPI-WBVHZDCISA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc2ccccc2c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643835 1021639005 /nfs/dbraw/zinc/63/90/05/1021639005.db2.gz GUMILWNWBLSPPI-WBVHZDCISA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc2ccccc2c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643835 1021639007 /nfs/dbraw/zinc/63/90/07/1021639007.db2.gz GUMILWNWBLSPPI-WBVHZDCISA-N 2 2 312.457 3.763 20 0 DHADLP C[C@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)[N@H+](C)C1CC1 ZINC000498423175 1021655575 /nfs/dbraw/zinc/65/55/75/1021655575.db2.gz AOXBSTBRCOJFGU-KDOFPFPSSA-N 2 2 302.437 3.834 20 0 DHADLP C[C@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)[N@@H+](C)C1CC1 ZINC000498423175 1021655580 /nfs/dbraw/zinc/65/55/80/1021655580.db2.gz AOXBSTBRCOJFGU-KDOFPFPSSA-N 2 2 302.437 3.834 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000379658264 1021707861 /nfs/dbraw/zinc/70/78/61/1021707861.db2.gz VVMOGJWZOFKKFY-AHRSYUTCSA-N 2 2 321.468 3.712 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000379658264 1021707876 /nfs/dbraw/zinc/70/78/76/1021707876.db2.gz VVMOGJWZOFKKFY-AHRSYUTCSA-N 2 2 321.468 3.712 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(F)cc2)CC1 ZINC000556570913 1021778916 /nfs/dbraw/zinc/77/89/16/1021778916.db2.gz MZQPXUDLYCOFJL-UHFFFAOYSA-N 2 2 312.432 3.922 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)CC1 ZINC000556570913 1021778934 /nfs/dbraw/zinc/77/89/34/1021778934.db2.gz MZQPXUDLYCOFJL-UHFFFAOYSA-N 2 2 312.432 3.922 20 0 DHADLP Cn1c[nH+]c(CCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000413378768 1021796884 /nfs/dbraw/zinc/79/68/84/1021796884.db2.gz GAURVRFYPSCXFF-UHFFFAOYSA-N 2 2 320.318 3.642 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H](C)C1CCCCC1 ZINC000152779482 1021822032 /nfs/dbraw/zinc/82/20/32/1021822032.db2.gz APNYUHVEJFVVPC-HZPDHXFCSA-N 2 2 303.494 3.956 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@H](C)C1CCCCC1 ZINC000152779593 1021822426 /nfs/dbraw/zinc/82/24/26/1021822426.db2.gz APNYUHVEJFVVPC-JKSUJKDBSA-N 2 2 303.494 3.956 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000152811045 1021835657 /nfs/dbraw/zinc/83/56/57/1021835657.db2.gz USBSTMXJBGGNCK-ZIAGYGMSSA-N 2 2 305.491 3.720 20 0 DHADLP C[N@H+](Cc1nc2ccccc2s1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122047 1033022678 /nfs/dbraw/zinc/02/26/78/1033022678.db2.gz VZJCHPAACOQAKX-FICVDOATSA-N 2 2 315.486 3.743 20 0 DHADLP C[N@@H+](Cc1nc2ccccc2s1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122047 1033022685 /nfs/dbraw/zinc/02/26/85/1033022685.db2.gz VZJCHPAACOQAKX-FICVDOATSA-N 2 2 315.486 3.743 20 0 DHADLP C[NH+](Cc1nc2ccccc2s1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122047 1033022691 /nfs/dbraw/zinc/02/26/91/1033022691.db2.gz VZJCHPAACOQAKX-FICVDOATSA-N 2 2 315.486 3.743 20 0 DHADLP C[NH+](Cc1nc2ccccc2s1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122047 1033022698 /nfs/dbraw/zinc/02/26/98/1033022698.db2.gz VZJCHPAACOQAKX-FICVDOATSA-N 2 2 315.486 3.743 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)[C@H](C)C1 ZINC000746469455 1022119815 /nfs/dbraw/zinc/11/98/15/1022119815.db2.gz CGJGPSGUSMUFFN-DGCLKSJQSA-N 2 2 316.276 3.551 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)[C@H](C)C1 ZINC000746469455 1022119821 /nfs/dbraw/zinc/11/98/21/1022119821.db2.gz CGJGPSGUSMUFFN-DGCLKSJQSA-N 2 2 316.276 3.551 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)nc(Cl)c2)[C@H](C)C1 ZINC000746469455 1022119827 /nfs/dbraw/zinc/11/98/27/1022119827.db2.gz CGJGPSGUSMUFFN-DGCLKSJQSA-N 2 2 316.276 3.551 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)nc(Cl)c2)[C@H](C)C1 ZINC000746469455 1022119829 /nfs/dbraw/zinc/11/98/29/1022119829.db2.gz CGJGPSGUSMUFFN-DGCLKSJQSA-N 2 2 316.276 3.551 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1F)C2 ZINC001169099375 1022246190 /nfs/dbraw/zinc/24/61/90/1022246190.db2.gz QXIHLBBVANMGAZ-ZSOGYDGISA-N 2 2 316.342 3.559 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1F)C2 ZINC001169099375 1022246198 /nfs/dbraw/zinc/24/61/98/1022246198.db2.gz QXIHLBBVANMGAZ-ZSOGYDGISA-N 2 2 316.342 3.559 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC001169113954 1022270169 /nfs/dbraw/zinc/27/01/69/1022270169.db2.gz VLAMXGDGRZUAAU-JTJHWIPRSA-N 2 2 322.452 3.696 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC001169113954 1022270182 /nfs/dbraw/zinc/27/01/82/1022270182.db2.gz VLAMXGDGRZUAAU-JTJHWIPRSA-N 2 2 322.452 3.696 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001169230518 1022313494 /nfs/dbraw/zinc/31/34/94/1022313494.db2.gz DAHMJOUMHOHBCM-UHFFFAOYSA-N 2 2 320.786 3.933 20 0 DHADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000363847881 1022334931 /nfs/dbraw/zinc/33/49/31/1022334931.db2.gz ALXDXGINTJUFKK-RXVVDRJESA-N 2 2 323.484 3.862 20 0 DHADLP C[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc21 ZINC001169379912 1022377386 /nfs/dbraw/zinc/37/73/86/1022377386.db2.gz OPBSGLFONFFNPF-CEQIKUNHSA-N 2 2 321.468 3.880 20 0 DHADLP C[C@@H]1C[C@H](Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc21 ZINC001169379912 1022377399 /nfs/dbraw/zinc/37/73/99/1022377399.db2.gz OPBSGLFONFFNPF-CEQIKUNHSA-N 2 2 321.468 3.880 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[C@@H]1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337534267 1033054811 /nfs/dbraw/zinc/05/48/11/1033054811.db2.gz FLSOXHNMSUSHFY-RCBQFDQVSA-N 2 2 321.371 3.683 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1sccc1Br ZINC000156569079 1022476215 /nfs/dbraw/zinc/47/62/15/1022476215.db2.gz XSNOWLMIFHUKJR-GARJFASQSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1sccc1Br ZINC000156569079 1022476223 /nfs/dbraw/zinc/47/62/23/1022476223.db2.gz XSNOWLMIFHUKJR-GARJFASQSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1sccc1Br ZINC000156569193 1022476748 /nfs/dbraw/zinc/47/67/48/1022476748.db2.gz XSNOWLMIFHUKJR-VWYCJHECSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1sccc1Br ZINC000156569193 1022476751 /nfs/dbraw/zinc/47/67/51/1022476751.db2.gz XSNOWLMIFHUKJR-VWYCJHECSA-N 2 2 317.296 3.644 20 0 DHADLP c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)CS2 ZINC001172198242 1033057988 /nfs/dbraw/zinc/05/79/88/1033057988.db2.gz ONEZIPWKBCBFMR-ZWKOTPCHSA-N 2 2 316.514 3.558 20 0 DHADLP c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)CS2 ZINC001172198242 1033057999 /nfs/dbraw/zinc/05/79/99/1033057999.db2.gz ONEZIPWKBCBFMR-ZWKOTPCHSA-N 2 2 316.514 3.558 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000272348820 1022499829 /nfs/dbraw/zinc/49/98/29/1022499829.db2.gz QFYBFZFRZCOOJZ-ZOBUZTSGSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000272348820 1022499850 /nfs/dbraw/zinc/49/98/50/1022499850.db2.gz QFYBFZFRZCOOJZ-ZOBUZTSGSA-N 2 2 315.486 3.704 20 0 DHADLP Cc1[nH]c(C[N@H+](C)CCOc2ccccc2C(C)(C)C)c(C)[nH+]1 ZINC001169834642 1022560488 /nfs/dbraw/zinc/56/04/88/1022560488.db2.gz XBYKIWLGJSHHPK-UHFFFAOYSA-N 2 2 315.461 3.835 20 0 DHADLP Cc1[nH]c(C[N@@H+](C)CCOc2ccccc2C(C)(C)C)c(C)[nH+]1 ZINC001169834642 1022560503 /nfs/dbraw/zinc/56/05/03/1022560503.db2.gz XBYKIWLGJSHHPK-UHFFFAOYSA-N 2 2 315.461 3.835 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000158583178 1022645600 /nfs/dbraw/zinc/64/56/00/1022645600.db2.gz CZSMDMKQYFICMM-ZBFHGGJFSA-N 2 2 312.379 3.622 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000158583178 1022645606 /nfs/dbraw/zinc/64/56/06/1022645606.db2.gz CZSMDMKQYFICMM-ZBFHGGJFSA-N 2 2 312.379 3.622 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000158583178 1022645610 /nfs/dbraw/zinc/64/56/10/1022645610.db2.gz CZSMDMKQYFICMM-ZBFHGGJFSA-N 2 2 312.379 3.622 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000158583178 1022645614 /nfs/dbraw/zinc/64/56/14/1022645614.db2.gz CZSMDMKQYFICMM-ZBFHGGJFSA-N 2 2 312.379 3.622 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309829 1022676773 /nfs/dbraw/zinc/67/67/73/1022676773.db2.gz JCRKREIMNPLKLS-YQFWSFKMSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309829 1022676781 /nfs/dbraw/zinc/67/67/81/1022676781.db2.gz JCRKREIMNPLKLS-YQFWSFKMSA-N 2 2 304.503 3.847 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000660202201 1022713571 /nfs/dbraw/zinc/71/35/71/1022713571.db2.gz ADLPEPHTACFSQH-ZDUSSCGKSA-N 2 2 322.412 3.897 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163836133 1022929044 /nfs/dbraw/zinc/92/90/44/1022929044.db2.gz OYDFOFIYNJZWND-CVEARBPZSA-N 2 2 313.445 3.674 20 0 DHADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163836236 1022930142 /nfs/dbraw/zinc/93/01/42/1022930142.db2.gz OYDFOFIYNJZWND-HOTGVXAUSA-N 2 2 313.445 3.674 20 0 DHADLP c1ccc(NCCC[NH2+][C@@H]2CSCCc3ccccc32)[nH+]c1 ZINC000163847306 1022931392 /nfs/dbraw/zinc/93/13/92/1022931392.db2.gz KQOUWRJZIPTLBF-QGZVFWFLSA-N 2 2 313.470 3.504 20 0 DHADLP c1ccc(NCCC[NH2+][C@H]2CSCCc3ccccc32)[nH+]c1 ZINC000163847210 1022932838 /nfs/dbraw/zinc/93/28/38/1022932838.db2.gz KQOUWRJZIPTLBF-KRWDZBQOSA-N 2 2 313.470 3.504 20 0 DHADLP Cc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(Cl)n1 ZINC000859214490 1033100132 /nfs/dbraw/zinc/10/01/32/1033100132.db2.gz ZSMDDUFJOJFEFA-UHFFFAOYSA-N 2 2 317.864 3.737 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000166134715 1023004572 /nfs/dbraw/zinc/00/45/72/1023004572.db2.gz YRHHBQKOWQJTJC-LJQANCHMSA-N 2 2 309.457 3.738 20 0 DHADLP Cc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(Cl)n1 ZINC000859214490 1033100121 /nfs/dbraw/zinc/10/01/21/1033100121.db2.gz ZSMDDUFJOJFEFA-UHFFFAOYSA-N 2 2 317.864 3.737 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000167884542 1023049731 /nfs/dbraw/zinc/04/97/31/1023049731.db2.gz ALOZANFVQQEEGL-HOTGVXAUSA-N 2 2 304.478 3.521 20 0 DHADLP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)co1 ZINC000769387854 1023137988 /nfs/dbraw/zinc/13/79/88/1023137988.db2.gz OPLLEKGHZCTBAT-FQEVSTJZSA-N 2 2 310.441 3.768 20 0 DHADLP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)co1 ZINC000769387854 1023137996 /nfs/dbraw/zinc/13/79/96/1023137996.db2.gz OPLLEKGHZCTBAT-FQEVSTJZSA-N 2 2 310.441 3.768 20 0 DHADLP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)co1 ZINC000769387854 1023137998 /nfs/dbraw/zinc/13/79/98/1023137998.db2.gz OPLLEKGHZCTBAT-FQEVSTJZSA-N 2 2 310.441 3.768 20 0 DHADLP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)co1 ZINC000769387854 1023138002 /nfs/dbraw/zinc/13/80/02/1023138002.db2.gz OPLLEKGHZCTBAT-FQEVSTJZSA-N 2 2 310.441 3.768 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccnc1Cl ZINC000162744235 1023186600 /nfs/dbraw/zinc/18/66/00/1023186600.db2.gz CGJTYWMLUYTBTM-OAHLLOKOSA-N 2 2 317.864 3.908 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccnc1Cl ZINC000162744235 1023186606 /nfs/dbraw/zinc/18/66/06/1023186606.db2.gz CGJTYWMLUYTBTM-OAHLLOKOSA-N 2 2 317.864 3.908 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652134571 1023345511 /nfs/dbraw/zinc/34/55/11/1023345511.db2.gz YATLBAGLCLIBJO-RBUKOAKNSA-N 2 2 301.478 3.777 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652134571 1023345518 /nfs/dbraw/zinc/34/55/18/1023345518.db2.gz YATLBAGLCLIBJO-RBUKOAKNSA-N 2 2 301.478 3.777 20 0 DHADLP Clc1ccc2c(n1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000771179072 1023405485 /nfs/dbraw/zinc/40/54/85/1023405485.db2.gz SVLUWFPJEMSROS-OAHLLOKOSA-N 2 2 324.815 3.698 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3c1c(F)ccc3F)CCC2 ZINC000337705936 1033144814 /nfs/dbraw/zinc/14/48/14/1033144814.db2.gz JLQKZEBVYOXXJT-LRDDRELGSA-N 2 2 317.383 3.624 20 0 DHADLP [NH2+]=C(Nc1cc(Cl)nc2cc(Cl)ccc21)SCC[NH3+] ZINC001157128317 1023668146 /nfs/dbraw/zinc/66/81/46/1023668146.db2.gz HETWUFYHUVCZEG-UHFFFAOYSA-N 2 2 315.229 3.580 20 0 DHADLP C[C@@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)[C@H]1CC[NH3+] ZINC000652356021 1023813404 /nfs/dbraw/zinc/81/34/04/1023813404.db2.gz QGAOHXFBPBZLKU-CJNGLKHVSA-N 2 2 307.507 3.750 20 0 DHADLP C[C@@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)[C@H]1CC[NH3+] ZINC000652356021 1023813409 /nfs/dbraw/zinc/81/34/09/1023813409.db2.gz QGAOHXFBPBZLKU-CJNGLKHVSA-N 2 2 307.507 3.750 20 0 DHADLP CC(C)CCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001170079431 1023830616 /nfs/dbraw/zinc/83/06/16/1023830616.db2.gz DFLGAVOMVOSNGT-QRVBRYPASA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001170079431 1023830621 /nfs/dbraw/zinc/83/06/21/1023830621.db2.gz DFLGAVOMVOSNGT-QRVBRYPASA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001170079431 1023830627 /nfs/dbraw/zinc/83/06/27/1023830627.db2.gz DFLGAVOMVOSNGT-QRVBRYPASA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001170079431 1023830632 /nfs/dbraw/zinc/83/06/32/1023830632.db2.gz DFLGAVOMVOSNGT-QRVBRYPASA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001170079429 1023830915 /nfs/dbraw/zinc/83/09/15/1023830915.db2.gz DFLGAVOMVOSNGT-GBESFXJTSA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001170079429 1023830922 /nfs/dbraw/zinc/83/09/22/1023830922.db2.gz DFLGAVOMVOSNGT-GBESFXJTSA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001170079429 1023830928 /nfs/dbraw/zinc/83/09/28/1023830928.db2.gz DFLGAVOMVOSNGT-GBESFXJTSA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001170079429 1023830936 /nfs/dbraw/zinc/83/09/36/1023830936.db2.gz DFLGAVOMVOSNGT-GBESFXJTSA-N 2 2 315.505 3.660 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccccc1 ZINC000788500218 1023895196 /nfs/dbraw/zinc/89/51/96/1023895196.db2.gz ZJMLTWUCIOWVJS-YJBOKZPZSA-N 2 2 313.445 3.521 20 0 DHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788537599 1023902007 /nfs/dbraw/zinc/90/20/07/1023902007.db2.gz CLTGVTVBKOKTGB-LZWOXQAQSA-N 2 2 321.896 3.680 20 0 DHADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788537599 1023902009 /nfs/dbraw/zinc/90/20/09/1023902009.db2.gz CLTGVTVBKOKTGB-LZWOXQAQSA-N 2 2 321.896 3.680 20 0 DHADLP CC(C)[NH+](CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21)C(C)C ZINC000788609887 1023908034 /nfs/dbraw/zinc/90/80/34/1023908034.db2.gz JHSFIACBRUCCMB-OAHLLOKOSA-N 2 2 309.885 3.821 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)c1cc[nH]c(=O)c1 ZINC000788602306 1023911502 /nfs/dbraw/zinc/91/15/02/1023911502.db2.gz AUVGQDLEUCTFAQ-HUUCEWRRSA-N 2 2 313.445 3.567 20 0 DHADLP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000194089625 1023984740 /nfs/dbraw/zinc/98/47/40/1023984740.db2.gz IERBLTPYDXLTLR-QGZVFWFLSA-N 2 2 324.896 3.880 20 0 DHADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268785908 1024160112 /nfs/dbraw/zinc/16/01/12/1024160112.db2.gz VQFROHHOKUHJIU-HRAATJIYSA-N 2 2 317.436 3.955 20 0 DHADLP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000268861214 1024182371 /nfs/dbraw/zinc/18/23/71/1024182371.db2.gz SBCMQXFKXLCZRK-SFHVURJKSA-N 2 2 319.408 3.658 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000268997081 1024214546 /nfs/dbraw/zinc/21/45/46/1024214546.db2.gz KRFPNIITVZAGSM-ZDUSSCGKSA-N 2 2 306.425 3.502 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883072832 1024230373 /nfs/dbraw/zinc/23/03/73/1024230373.db2.gz AFCRQTDMELTJBP-MIALQEHNSA-N 2 2 313.489 3.775 20 0 DHADLP COc1cccc2c(NCCCn3cc[nH+]c3C)c(C)c[nH+]c12 ZINC000337837152 1033197190 /nfs/dbraw/zinc/19/71/90/1033197190.db2.gz XYCBGBKHXJVCQY-UHFFFAOYSA-N 2 2 310.401 3.559 20 0 DHADLP COc1ccc(C2CC2)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000883265230 1024338137 /nfs/dbraw/zinc/33/81/37/1024338137.db2.gz WAHNTZXDZLTMLY-UHFFFAOYSA-N 2 2 302.462 3.535 20 0 DHADLP FC(F)(F)C1=CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000270136380 1024355587 /nfs/dbraw/zinc/35/55/87/1024355587.db2.gz CLJODSGKXAFLKG-UHFFFAOYSA-N 2 2 307.319 3.567 20 0 DHADLP FC(F)(F)C1=CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000270136380 1024355599 /nfs/dbraw/zinc/35/55/99/1024355599.db2.gz CLJODSGKXAFLKG-UHFFFAOYSA-N 2 2 307.319 3.567 20 0 DHADLP Cc1[nH+]ccn1CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000270683187 1024416769 /nfs/dbraw/zinc/41/67/69/1024416769.db2.gz VPXNNICPQRSKEM-UHFFFAOYSA-N 2 2 303.409 3.874 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000453234777 1024417606 /nfs/dbraw/zinc/41/76/06/1024417606.db2.gz YRXDBIGQMMXUPY-SJLPKXTDSA-N 2 2 303.494 3.503 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000453234777 1024417618 /nfs/dbraw/zinc/41/76/18/1024417618.db2.gz YRXDBIGQMMXUPY-SJLPKXTDSA-N 2 2 303.494 3.503 20 0 DHADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883386415 1024420860 /nfs/dbraw/zinc/42/08/60/1024420860.db2.gz FVGWFPBHJMCSGJ-LPHOPBHVSA-N 2 2 323.444 3.753 20 0 DHADLP c1cn(C[C@@H]([NH2+][C@H]2CCc3ccccc32)c2ccccc2)c[nH+]1 ZINC000883387160 1024421146 /nfs/dbraw/zinc/42/11/46/1024421146.db2.gz SKVYISMISRCBBK-VQTJNVASSA-N 2 2 303.409 3.902 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCSCC1 ZINC000883387877 1024422322 /nfs/dbraw/zinc/42/23/22/1024422322.db2.gz HGFJGNZTUWLKNB-CRAIPNDOSA-N 2 2 315.486 3.746 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1F ZINC000925778709 1024434811 /nfs/dbraw/zinc/43/48/11/1024434811.db2.gz UXCVKRXWTYLWHN-MFKMUULPSA-N 2 2 320.786 3.765 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC001207581318 1024439314 /nfs/dbraw/zinc/43/93/14/1024439314.db2.gz MYMJJUBTSNNMCG-UHFFFAOYSA-N 2 2 324.871 3.972 20 0 DHADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453458256 1024524521 /nfs/dbraw/zinc/52/45/21/1024524521.db2.gz VTYOHLVBNJJZMD-FRYIKTPZSA-N 2 2 315.505 3.706 20 0 DHADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453458256 1024524530 /nfs/dbraw/zinc/52/45/30/1024524530.db2.gz VTYOHLVBNJJZMD-FRYIKTPZSA-N 2 2 315.505 3.706 20 0 DHADLP CC[C@@]1(C(C)C)C[C@@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000453614625 1024555031 /nfs/dbraw/zinc/55/50/31/1024555031.db2.gz PYUCTDOCENQJBD-WMZOPIPTSA-N 2 2 321.534 3.824 20 0 DHADLP CC[C@@]1(C(C)C)C[C@@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000453614625 1024555037 /nfs/dbraw/zinc/55/50/37/1024555037.db2.gz PYUCTDOCENQJBD-WMZOPIPTSA-N 2 2 321.534 3.824 20 0 DHADLP c1c(CC[NH2+][C@H](CC2CC2)c2ccccc2)[nH+]c2n1CCCC2 ZINC000532193286 1024572795 /nfs/dbraw/zinc/57/27/95/1024572795.db2.gz CWZNYYDSVVPSQL-LJQANCHMSA-N 2 2 309.457 3.893 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000348646800 1024601123 /nfs/dbraw/zinc/60/11/23/1024601123.db2.gz PVZPUDGGVSVBBM-FQEVSTJZSA-N 2 2 310.441 3.686 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000348646800 1024601126 /nfs/dbraw/zinc/60/11/26/1024601126.db2.gz PVZPUDGGVSVBBM-FQEVSTJZSA-N 2 2 310.441 3.686 20 0 DHADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000348646800 1024601135 /nfs/dbraw/zinc/60/11/35/1024601135.db2.gz PVZPUDGGVSVBBM-FQEVSTJZSA-N 2 2 310.441 3.686 20 0 DHADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000348646800 1024601141 /nfs/dbraw/zinc/60/11/41/1024601141.db2.gz PVZPUDGGVSVBBM-FQEVSTJZSA-N 2 2 310.441 3.686 20 0 DHADLP CC[C@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)CCO1 ZINC001170164421 1024653291 /nfs/dbraw/zinc/65/32/91/1024653291.db2.gz JSYYNJRCZPQJFF-UWHLTILDSA-N 2 2 324.468 3.975 20 0 DHADLP Cc1ccc2[nH]c(C[NH2+]C[C@@H]3CCCn4cc[nH+]c43)cc2c1C ZINC000349610693 1024731471 /nfs/dbraw/zinc/73/14/71/1024731471.db2.gz LUJUPMXYJCQHHF-HNNXBMFYSA-N 2 2 308.429 3.648 20 0 DHADLP Fc1cccc(Cl)c1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243176 1024749054 /nfs/dbraw/zinc/74/90/54/1024749054.db2.gz KTNUCAYBMWEUDQ-UHFFFAOYSA-N 2 2 307.800 3.555 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C/C=C\c1ccc(F)cc1F)CCC2 ZINC000350050924 1024785990 /nfs/dbraw/zinc/78/59/90/1024785990.db2.gz SNRUWGYEKRXVLI-HKLWWIALSA-N 2 2 317.383 3.650 20 0 DHADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172557078 1033251599 /nfs/dbraw/zinc/25/15/99/1033251599.db2.gz PBPPFVZGLKWEGT-HMXCVIKNSA-N 2 2 306.453 3.708 20 0 DHADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172557078 1033251612 /nfs/dbraw/zinc/25/16/12/1033251612.db2.gz PBPPFVZGLKWEGT-HMXCVIKNSA-N 2 2 306.453 3.708 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000321674623 1025116595 /nfs/dbraw/zinc/11/65/95/1025116595.db2.gz ILOMBDDEQQZMJJ-SUMWQHHRSA-N 2 2 319.424 3.796 20 0 DHADLP CCS[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353583532 1025142202 /nfs/dbraw/zinc/14/22/02/1025142202.db2.gz BQJVOTHACQATQE-GOSISDBHSA-N 2 2 315.486 3.980 20 0 DHADLP CCS[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353583532 1025142208 /nfs/dbraw/zinc/14/22/08/1025142208.db2.gz BQJVOTHACQATQE-GOSISDBHSA-N 2 2 315.486 3.980 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353607526 1025149848 /nfs/dbraw/zinc/14/98/48/1025149848.db2.gz ABTKROWFHGQBTL-MRXNPFEDSA-N 2 2 321.424 3.641 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353607526 1025149880 /nfs/dbraw/zinc/14/98/80/1025149880.db2.gz ABTKROWFHGQBTL-MRXNPFEDSA-N 2 2 321.424 3.641 20 0 DHADLP CC1(C)CCc2ccccc2[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353625962 1025159907 /nfs/dbraw/zinc/15/99/07/1025159907.db2.gz SJOTWCRWGIUQSV-BEFAXECRSA-N 2 2 309.457 3.960 20 0 DHADLP CC1(C)CCc2ccccc2[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353625965 1025160737 /nfs/dbraw/zinc/16/07/37/1025160737.db2.gz SJOTWCRWGIUQSV-KXBFYZLASA-N 2 2 309.457 3.960 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000353747646 1025225260 /nfs/dbraw/zinc/22/52/60/1025225260.db2.gz PTCOYZCFIZQBLH-KBPBESRZSA-N 2 2 309.523 3.745 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000353747646 1025225278 /nfs/dbraw/zinc/22/52/78/1025225278.db2.gz PTCOYZCFIZQBLH-KBPBESRZSA-N 2 2 309.523 3.745 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000353747646 1025225315 /nfs/dbraw/zinc/22/53/15/1025225315.db2.gz PTCOYZCFIZQBLH-KBPBESRZSA-N 2 2 309.523 3.745 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000353747646 1025225324 /nfs/dbraw/zinc/22/53/24/1025225324.db2.gz PTCOYZCFIZQBLH-KBPBESRZSA-N 2 2 309.523 3.745 20 0 DHADLP Cc1ccc2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC001137217460 1025280892 /nfs/dbraw/zinc/28/08/92/1025280892.db2.gz ZGRZHOGHICOVCT-LJQANCHMSA-N 2 2 319.408 3.592 20 0 DHADLP Cc1ccc2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC001137217460 1025280898 /nfs/dbraw/zinc/28/08/98/1025280898.db2.gz ZGRZHOGHICOVCT-LJQANCHMSA-N 2 2 319.408 3.592 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000320257845 1025285525 /nfs/dbraw/zinc/28/55/25/1025285525.db2.gz BZADGQXFEUIKSS-DNVCBOLYSA-N 2 2 312.457 3.983 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000320257845 1025285536 /nfs/dbraw/zinc/28/55/36/1025285536.db2.gz BZADGQXFEUIKSS-DNVCBOLYSA-N 2 2 312.457 3.983 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)s3)CC[C@H]21 ZINC000432722056 1025339521 /nfs/dbraw/zinc/33/95/21/1025339521.db2.gz IAHIPQHTALQXMI-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)s3)CC[C@H]21 ZINC000432722056 1025339534 /nfs/dbraw/zinc/33/95/34/1025339534.db2.gz IAHIPQHTALQXMI-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)s3)CC[C@H]21 ZINC000432722056 1025339548 /nfs/dbraw/zinc/33/95/48/1025339548.db2.gz IAHIPQHTALQXMI-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)s3)CC[C@H]21 ZINC000432722056 1025339559 /nfs/dbraw/zinc/33/95/59/1025339559.db2.gz IAHIPQHTALQXMI-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccc(F)cn1)C(C)C)CCC2 ZINC000354089712 1025348599 /nfs/dbraw/zinc/34/85/99/1025348599.db2.gz FPLHQKWJWUWQHB-YOEHRIQHSA-N 2 2 316.424 3.590 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000354402331 1025421493 /nfs/dbraw/zinc/42/14/93/1025421493.db2.gz HLNIYYAMJKMJQP-OAQYLSRUSA-N 2 2 323.484 3.577 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000354402331 1025421503 /nfs/dbraw/zinc/42/15/03/1025421503.db2.gz HLNIYYAMJKMJQP-OAQYLSRUSA-N 2 2 323.484 3.577 20 0 DHADLP Cc1nc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000354396278 1025422174 /nfs/dbraw/zinc/42/21/74/1025422174.db2.gz UBLSWUVTRCYQCK-YJBOKZPZSA-N 2 2 310.445 3.649 20 0 DHADLP Cc1nc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000354396278 1025422178 /nfs/dbraw/zinc/42/21/78/1025422178.db2.gz UBLSWUVTRCYQCK-YJBOKZPZSA-N 2 2 310.445 3.649 20 0 DHADLP C[C@H]([NH2+]CCCOC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125305661 1025465912 /nfs/dbraw/zinc/46/59/12/1025465912.db2.gz RNBFEIIVGUNGMG-INIZCTEOSA-N 2 2 313.445 3.872 20 0 DHADLP Fc1cccc2c1SCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366435139 1025499721 /nfs/dbraw/zinc/49/97/21/1025499721.db2.gz SFPGJXMHUCUPIP-KVULBXGLSA-N 2 2 320.477 3.969 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000040621973 1025530113 /nfs/dbraw/zinc/53/01/13/1025530113.db2.gz MDAMOSYCDLMYGA-GFCCVEGCSA-N 2 2 301.261 3.813 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000040621973 1025530128 /nfs/dbraw/zinc/53/01/28/1025530128.db2.gz MDAMOSYCDLMYGA-GFCCVEGCSA-N 2 2 301.261 3.813 20 0 DHADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H](C)c1nc2ccccc2s1 ZINC000354935643 1025552035 /nfs/dbraw/zinc/55/20/35/1025552035.db2.gz RBTCTPMKNLHRFA-UONOGXRCSA-N 2 2 317.502 3.862 20 0 DHADLP CC1(C)CC[C@@H](CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)OC1 ZINC000897475772 1025630038 /nfs/dbraw/zinc/63/00/38/1025630038.db2.gz BMCMOOBNUGHDDP-HNNXBMFYSA-N 2 2 319.474 3.619 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CC[N@@H+]1C ZINC000355657474 1025799133 /nfs/dbraw/zinc/79/91/33/1025799133.db2.gz ALAXDTXFSLBIHM-LSDHHAIUSA-N 2 2 300.402 3.644 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CC[N@H+]1C ZINC000355657474 1025799139 /nfs/dbraw/zinc/79/91/39/1025799139.db2.gz ALAXDTXFSLBIHM-LSDHHAIUSA-N 2 2 300.402 3.644 20 0 DHADLP CS[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000134579629 1025813234 /nfs/dbraw/zinc/81/32/34/1025813234.db2.gz LTWUJITUZGVRBR-KRWDZBQOSA-N 2 2 301.459 3.590 20 0 DHADLP CS[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000134579629 1025813250 /nfs/dbraw/zinc/81/32/50/1025813250.db2.gz LTWUJITUZGVRBR-KRWDZBQOSA-N 2 2 301.459 3.590 20 0 DHADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CC[C@@H]3C(C)(C)C)cc2)CC1 ZINC000806155866 1025814096 /nfs/dbraw/zinc/81/40/96/1025814096.db2.gz VIQUPGSDETZWNY-ROUUACIJSA-N 2 2 301.478 3.675 20 0 DHADLP C[NH+](C)C1CCN(c2ccc([NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000806155399 1025814838 /nfs/dbraw/zinc/81/48/38/1025814838.db2.gz QKBUPPNEXWUUJG-WOJBJXKFSA-N 2 2 313.489 3.818 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000355701330 1025815065 /nfs/dbraw/zinc/81/50/65/1025815065.db2.gz INECIVSWMASSPA-KBXCAEBGSA-N 2 2 307.397 3.879 20 0 DHADLP CC(C)Oc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000536632291 1025902952 /nfs/dbraw/zinc/90/29/52/1025902952.db2.gz ODRDBRKTXRWUFN-UHFFFAOYSA-N 2 2 316.489 3.924 20 0 DHADLP c1cn(-c2ccc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)cc2)c[nH+]1 ZINC000236577247 1025976864 /nfs/dbraw/zinc/97/68/64/1025976864.db2.gz XNMPSBDUSHJDKD-UYAOXDASSA-N 2 2 303.409 3.766 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245542282 1026066366 /nfs/dbraw/zinc/06/63/66/1026066366.db2.gz JYJCAYQPLGADDY-HZPDHXFCSA-N 2 2 313.445 3.839 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245542282 1026066380 /nfs/dbraw/zinc/06/63/80/1026066380.db2.gz JYJCAYQPLGADDY-HZPDHXFCSA-N 2 2 313.445 3.839 20 0 DHADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccn2)cc1 ZINC000121839212 1026159045 /nfs/dbraw/zinc/15/90/45/1026159045.db2.gz OHZAIZDPKDULGK-QFUCXCTJSA-N 2 2 323.484 3.746 20 0 DHADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccn2)cc1 ZINC000121839212 1026159053 /nfs/dbraw/zinc/15/90/53/1026159053.db2.gz OHZAIZDPKDULGK-QFUCXCTJSA-N 2 2 323.484 3.746 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000356866077 1026201389 /nfs/dbraw/zinc/20/13/89/1026201389.db2.gz LPXWMCQBBQAQFC-OAHLLOKOSA-N 2 2 306.413 3.681 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319629891 1026701795 /nfs/dbraw/zinc/70/17/95/1026701795.db2.gz ARTQIDDVHTVFNR-MAUKXSAKSA-N 2 2 315.461 3.966 20 0 DHADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000420380417 1026812015 /nfs/dbraw/zinc/81/20/15/1026812015.db2.gz WPHWMCZBMWQLOU-OAHLLOKOSA-N 2 2 311.267 3.504 20 0 DHADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000420380417 1026812019 /nfs/dbraw/zinc/81/20/19/1026812019.db2.gz WPHWMCZBMWQLOU-OAHLLOKOSA-N 2 2 311.267 3.504 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906774 1026875226 /nfs/dbraw/zinc/87/52/26/1026875226.db2.gz SWHVOXMBJSYQKL-SFHVURJKSA-N 2 2 324.468 3.712 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906774 1026875230 /nfs/dbraw/zinc/87/52/30/1026875230.db2.gz SWHVOXMBJSYQKL-SFHVURJKSA-N 2 2 324.468 3.712 20 0 DHADLP c1cn(-c2csc(C[NH2+]C[C@H]3CC34CCSCC4)c2)c[nH+]1 ZINC000421390865 1026977752 /nfs/dbraw/zinc/97/77/52/1026977752.db2.gz VLPQQVXFICQURU-CYBMUJFWSA-N 2 2 319.499 3.557 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C(C)C)c(F)c1 ZINC000421828916 1027060706 /nfs/dbraw/zinc/06/07/06/1027060706.db2.gz FZPLVUUDJVJKIN-QWQRMKEZSA-N 2 2 308.441 3.604 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C(C)C)c(F)c1 ZINC000421828916 1027060711 /nfs/dbraw/zinc/06/07/11/1027060711.db2.gz FZPLVUUDJVJKIN-QWQRMKEZSA-N 2 2 308.441 3.604 20 0 DHADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)c(F)c1 ZINC000421831648 1027061562 /nfs/dbraw/zinc/06/15/62/1027061562.db2.gz DPBAHLZMWSYKFZ-IBGZPJMESA-N 2 2 320.452 3.748 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccncc1Cl ZINC000421840237 1027071443 /nfs/dbraw/zinc/07/14/43/1027071443.db2.gz YJOGNYDQLQPNAZ-GFCCVEGCSA-N 2 2 321.827 3.787 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000571622193 1027136112 /nfs/dbraw/zinc/13/61/12/1027136112.db2.gz PHLWPPXMTRJDNY-LSDHHAIUSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000571622193 1027136119 /nfs/dbraw/zinc/13/61/19/1027136119.db2.gz PHLWPPXMTRJDNY-LSDHHAIUSA-N 2 2 315.486 3.803 20 0 DHADLP c1cn(CCC[NH2+][C@H](COc2ccccc2)c2ccccc2)c[nH+]1 ZINC000271983733 1027193812 /nfs/dbraw/zinc/19/38/12/1027193812.db2.gz FBJNBJAUHOBRRD-HXUWFJFHSA-N 2 2 321.424 3.683 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)cc2)cs1 ZINC000422808014 1027329310 /nfs/dbraw/zinc/32/93/10/1027329310.db2.gz PRINSDFRSUNLIG-DCGLDWPTSA-N 2 2 315.486 3.910 20 0 DHADLP CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422814153 1027329411 /nfs/dbraw/zinc/32/94/11/1027329411.db2.gz ZTXWXOIMCJSODH-JKSUJKDBSA-N 2 2 302.418 3.782 20 0 DHADLP COc1cc2ccccc2cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000573890857 1027341167 /nfs/dbraw/zinc/34/11/67/1027341167.db2.gz DHAYLTBNKJJQGV-UHFFFAOYSA-N 2 2 309.413 3.615 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(COCc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422856562 1027344201 /nfs/dbraw/zinc/34/42/01/1027344201.db2.gz GHNBNJGBQOWLMF-UTKZUKDTSA-N 2 2 324.468 3.634 20 0 DHADLP C[C@@H]([NH2+][C@@H](c1cc2ccccc2o1)c1ccccc1)C1C[NH2+]C1 ZINC000422930880 1027364402 /nfs/dbraw/zinc/36/44/02/1027364402.db2.gz WJKVHEJMMRVYON-JLTOFOAXSA-N 2 2 306.409 3.720 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccc1OCC(C)C ZINC000422941146 1027367963 /nfs/dbraw/zinc/36/79/63/1027367963.db2.gz NWXFGHSPSDEDQZ-HLLBOEOZSA-N 2 2 320.477 3.521 20 0 DHADLP C[C@H]([NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422942064 1027368901 /nfs/dbraw/zinc/36/89/01/1027368901.db2.gz JZRAIUBUDKQVOY-MEDUHNTESA-N 2 2 306.862 3.688 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422941917 1027368969 /nfs/dbraw/zinc/36/89/69/1027368969.db2.gz VZMASIYOVINNPE-ZENOOKHLSA-N 2 2 315.486 3.910 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnoc2C2CC2)C1 ZINC000362752283 1027369896 /nfs/dbraw/zinc/36/98/96/1027369896.db2.gz FNHRMLCUTLZQSK-HZPDHXFCSA-N 2 2 317.477 3.638 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnoc2C2CC2)C1 ZINC000362752283 1027369909 /nfs/dbraw/zinc/36/99/09/1027369909.db2.gz FNHRMLCUTLZQSK-HZPDHXFCSA-N 2 2 317.477 3.638 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnoc2C2CC2)C1 ZINC000362752283 1027369924 /nfs/dbraw/zinc/36/99/24/1027369924.db2.gz FNHRMLCUTLZQSK-HZPDHXFCSA-N 2 2 317.477 3.638 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnoc2C2CC2)C1 ZINC000362752283 1027369936 /nfs/dbraw/zinc/36/99/36/1027369936.db2.gz FNHRMLCUTLZQSK-HZPDHXFCSA-N 2 2 317.477 3.638 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422948873 1027376211 /nfs/dbraw/zinc/37/62/11/1027376211.db2.gz RZYFPTMIQPKHLT-ZOBUZTSGSA-N 2 2 320.477 3.665 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)c1c[nH+]ccc1N ZINC000422950401 1027379909 /nfs/dbraw/zinc/37/99/09/1027379909.db2.gz YAIFBBWTNANHLD-AWEZNQCLSA-N 2 2 311.429 3.666 20 0 DHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nc(-c2ccccc2)cs1 ZINC000422959709 1027380762 /nfs/dbraw/zinc/38/07/62/1027380762.db2.gz TZUZLOYOKCUPSB-NTQSIJHJSA-N 2 2 313.470 3.744 20 0 DHADLP CSc1cccc(F)c1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423109863 1027429605 /nfs/dbraw/zinc/42/96/05/1027429605.db2.gz TVLGPMSMOLTDAQ-GUYCJALGSA-N 2 2 318.461 3.596 20 0 DHADLP CC(C)C1(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000812838252 1027440605 /nfs/dbraw/zinc/44/06/05/1027440605.db2.gz YGRZKUNRBOOUEZ-UHFFFAOYSA-N 2 2 315.505 3.747 20 0 DHADLP Cc1cccnc1CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000295835114 1027451889 /nfs/dbraw/zinc/45/18/89/1027451889.db2.gz AFBRSJJZYUJQIM-KRWDZBQOSA-N 2 2 320.440 3.859 20 0 DHADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423240605 1027459788 /nfs/dbraw/zinc/45/97/88/1027459788.db2.gz KSPXCLIHZDCONF-WBMJQRKESA-N 2 2 306.356 3.639 20 0 DHADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Br)cc1 ZINC000423232950 1027468121 /nfs/dbraw/zinc/46/81/21/1027468121.db2.gz CVWWDMQDJLUIMP-BLLLJJGKSA-N 2 2 319.246 3.800 20 0 DHADLP c1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)CCC3)cc1 ZINC000423240867 1027472351 /nfs/dbraw/zinc/47/23/51/1027472351.db2.gz UDXNLFMUTOAHRT-CABCVRRESA-N 2 2 313.470 3.529 20 0 DHADLP Fc1cc2[nH+]ccc(N3CC[C@H]([NH+]4CCCC4)C3)c2cc1Cl ZINC000562531264 1027484383 /nfs/dbraw/zinc/48/43/83/1027484383.db2.gz PTYUFQSNDSHCRQ-LBPRGKRZSA-N 2 2 319.811 3.702 20 0 DHADLP Fc1cc2[nH+]ccc(N3CC[C@@H]([NH+]4CCCC4)C3)c2cc1Cl ZINC000562531261 1027485943 /nfs/dbraw/zinc/48/59/43/1027485943.db2.gz PTYUFQSNDSHCRQ-GFCCVEGCSA-N 2 2 319.811 3.702 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000423299209 1027502752 /nfs/dbraw/zinc/50/27/52/1027502752.db2.gz PSMDWVIUADQWSK-VXGBXAGGSA-N 2 2 314.857 3.525 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000575828768 1027510628 /nfs/dbraw/zinc/51/06/28/1027510628.db2.gz JFSWHFDAPCAVCC-ZENOOKHLSA-N 2 2 301.821 3.804 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000423367424 1027522613 /nfs/dbraw/zinc/52/26/13/1027522613.db2.gz ALKLXFPXLKWQTJ-BZUAXINKSA-N 2 2 311.429 3.665 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000423367428 1027524178 /nfs/dbraw/zinc/52/41/78/1027524178.db2.gz ALKLXFPXLKWQTJ-OWCLPIDISA-N 2 2 311.429 3.665 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000423369969 1027525265 /nfs/dbraw/zinc/52/52/65/1027525265.db2.gz CXRAJUAOIXIBEI-CHWSQXEVSA-N 2 2 303.475 3.767 20 0 DHADLP COc1cc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)ccc1SC ZINC000423377290 1027527157 /nfs/dbraw/zinc/52/71/57/1027527157.db2.gz FFEIPNVBKBMZRW-CXAGYDPISA-N 2 2 322.518 3.846 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21)[C@H](C)[NH3+] ZINC000423447913 1027545291 /nfs/dbraw/zinc/54/52/91/1027545291.db2.gz PGXDRVXVFJRXGY-YGOYTEALSA-N 2 2 303.233 3.532 20 0 DHADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000423445249 1027543950 /nfs/dbraw/zinc/54/39/50/1027543950.db2.gz MMYWREJUMDGDTK-UTLUCORTSA-N 2 2 311.223 3.582 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423498229 1027564776 /nfs/dbraw/zinc/56/47/76/1027564776.db2.gz HVBLGOZSHOXXPD-VLIAUNLRSA-N 2 2 310.441 3.630 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CCCc1cccnc1 ZINC000423505251 1027566132 /nfs/dbraw/zinc/56/61/32/1027566132.db2.gz OEMAYADGGNQQBE-OXQOHEQNSA-N 2 2 311.473 3.645 20 0 DHADLP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576197439 1027582176 /nfs/dbraw/zinc/58/21/76/1027582176.db2.gz DTIPMTCFHNQGDJ-IVMMDQJWSA-N 2 2 315.848 3.846 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCC34CC4)C2)CC1 ZINC000576530164 1027627966 /nfs/dbraw/zinc/62/79/66/1027627966.db2.gz QGUDDWQJNWJYBD-YMAMQOFZSA-N 2 2 316.411 3.714 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000363459115 1027640349 /nfs/dbraw/zinc/64/03/49/1027640349.db2.gz HIBUSHALLLWDAW-WBVHZDCISA-N 2 2 313.445 3.839 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000363459115 1027640358 /nfs/dbraw/zinc/64/03/58/1027640358.db2.gz HIBUSHALLLWDAW-WBVHZDCISA-N 2 2 313.445 3.839 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000363459115 1027640362 /nfs/dbraw/zinc/64/03/62/1027640362.db2.gz HIBUSHALLLWDAW-WBVHZDCISA-N 2 2 313.445 3.839 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000363459115 1027640369 /nfs/dbraw/zinc/64/03/69/1027640369.db2.gz HIBUSHALLLWDAW-WBVHZDCISA-N 2 2 313.445 3.839 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@H]1C ZINC000813863978 1027734788 /nfs/dbraw/zinc/73/47/88/1027734788.db2.gz MSMAGNIDLTUDBJ-VCBZYWHSSA-N 2 2 301.478 3.673 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305273 1027744908 /nfs/dbraw/zinc/74/49/08/1027744908.db2.gz GJBHJVWAPSMSBM-SWLSCSKDSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305273 1027744931 /nfs/dbraw/zinc/74/49/31/1027744931.db2.gz GJBHJVWAPSMSBM-SWLSCSKDSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305273 1027744952 /nfs/dbraw/zinc/74/49/52/1027744952.db2.gz GJBHJVWAPSMSBM-SWLSCSKDSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305273 1027744969 /nfs/dbraw/zinc/74/49/69/1027744969.db2.gz GJBHJVWAPSMSBM-SWLSCSKDSA-N 2 2 313.272 3.910 20 0 DHADLP c1ccc2c(c1)cc[nH+]c2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000527930902 1027990277 /nfs/dbraw/zinc/99/02/77/1027990277.db2.gz JVWQCFUAORADBW-LPHOPBHVSA-N 2 2 307.441 3.688 20 0 DHADLP c1ccc2c(c1)cc[nH+]c2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000527930902 1027990291 /nfs/dbraw/zinc/99/02/91/1027990291.db2.gz JVWQCFUAORADBW-LPHOPBHVSA-N 2 2 307.441 3.688 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528008543 1028039909 /nfs/dbraw/zinc/03/99/09/1028039909.db2.gz FLIPRJOZWPGZNK-APWZRJJASA-N 2 2 316.489 3.623 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528008543 1028039924 /nfs/dbraw/zinc/03/99/24/1028039924.db2.gz FLIPRJOZWPGZNK-APWZRJJASA-N 2 2 316.489 3.623 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(OC(F)F)c1 ZINC000528013373 1028044121 /nfs/dbraw/zinc/04/41/21/1028044121.db2.gz RNMGLJDBDKBTSP-CJNGLKHVSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(OC(F)F)c1 ZINC000528013373 1028044135 /nfs/dbraw/zinc/04/41/35/1028044135.db2.gz RNMGLJDBDKBTSP-CJNGLKHVSA-N 2 2 324.415 3.956 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366436797 1028078911 /nfs/dbraw/zinc/07/89/11/1028078911.db2.gz VOPIHGRZIFBRJX-GTPINHCMSA-N 2 2 302.462 3.671 20 0 DHADLP CC(C)(C)SCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367113863 1028142704 /nfs/dbraw/zinc/14/27/04/1028142704.db2.gz LTHBFNNHUJUNMT-HNNXBMFYSA-N 2 2 321.534 3.931 20 0 DHADLP CC(C)(C)SCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367113863 1028142712 /nfs/dbraw/zinc/14/27/12/1028142712.db2.gz LTHBFNNHUJUNMT-HNNXBMFYSA-N 2 2 321.534 3.931 20 0 DHADLP CO[C@H](C[NH+]1CCC([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000367266459 1028156952 /nfs/dbraw/zinc/15/69/52/1028156952.db2.gz GVJDXORGKGATBA-GOSISDBHSA-N 2 2 322.880 3.588 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470852 1028159115 /nfs/dbraw/zinc/15/91/15/1028159115.db2.gz VRETUOYLJHZDOR-SWLSCSKDSA-N 2 2 306.837 3.858 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470852 1028159118 /nfs/dbraw/zinc/15/91/18/1028159118.db2.gz VRETUOYLJHZDOR-SWLSCSKDSA-N 2 2 306.837 3.858 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470852 1028159123 /nfs/dbraw/zinc/15/91/23/1028159123.db2.gz VRETUOYLJHZDOR-SWLSCSKDSA-N 2 2 306.837 3.858 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470852 1028159126 /nfs/dbraw/zinc/15/91/26/1028159126.db2.gz VRETUOYLJHZDOR-SWLSCSKDSA-N 2 2 306.837 3.858 20 0 DHADLP c1ccc([C@H](C[NH2+]C2CC(c3ccccn3)C2)[NH+]2CCCC2)cc1 ZINC000367319250 1028165581 /nfs/dbraw/zinc/16/55/81/1028165581.db2.gz UJFMYWPVRIFEBA-GRERDSQWSA-N 2 2 321.468 3.754 20 0 DHADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578532081 1028176008 /nfs/dbraw/zinc/17/60/08/1028176008.db2.gz ZEXCAFBADGBGKP-GOSISDBHSA-N 2 2 310.441 3.875 20 0 DHADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578532081 1028176010 /nfs/dbraw/zinc/17/60/10/1028176010.db2.gz ZEXCAFBADGBGKP-GOSISDBHSA-N 2 2 310.441 3.875 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccco2)[C@@H]2CCc3ccccc32)CC1 ZINC000367668952 1028225788 /nfs/dbraw/zinc/22/57/88/1028225788.db2.gz JVCCXRCZPCXDHQ-HXUWFJFHSA-N 2 2 310.441 3.863 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)[C@@H]2CCc3ccccc32)CC1 ZINC000367668952 1028225802 /nfs/dbraw/zinc/22/58/02/1028225802.db2.gz JVCCXRCZPCXDHQ-HXUWFJFHSA-N 2 2 310.441 3.863 20 0 DHADLP Clc1ccc(C[C@H]2CCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000449059107 1028295506 /nfs/dbraw/zinc/29/55/06/1028295506.db2.gz AFTLPECODKDPRN-NVXWUHKLSA-N 2 2 303.837 3.538 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101359 1028297536 /nfs/dbraw/zinc/29/75/36/1028297536.db2.gz SVGUJJZEDKDQSK-ZYHUDNBSSA-N 2 2 318.490 3.680 20 0 DHADLP Cc1cccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1F ZINC000449072834 1028336019 /nfs/dbraw/zinc/33/60/19/1028336019.db2.gz LRLCWOBBYSYKBD-UHFFFAOYSA-N 2 2 323.415 3.711 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449078930 1028344351 /nfs/dbraw/zinc/34/43/51/1028344351.db2.gz WXVVOLPUQJBAOG-KMFMINBZSA-N 2 2 303.837 3.851 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H](C)C[NH+](C)C ZINC000579399490 1028402279 /nfs/dbraw/zinc/40/22/79/1028402279.db2.gz GXYDWCKSVZBVNN-RPHSKFLZSA-N 2 2 300.368 3.648 20 0 DHADLP CCC[C@H]([NH2+]C[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccsc1 ZINC000369112234 1028446076 /nfs/dbraw/zinc/44/60/76/1028446076.db2.gz KQVMDHFBJTWQAL-RYQLBKOJSA-N 2 2 322.518 3.680 20 0 DHADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564728455 1028493776 /nfs/dbraw/zinc/49/37/76/1028493776.db2.gz IWNYIIKGASVCAM-KRWDZBQOSA-N 2 2 304.821 3.662 20 0 DHADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564728455 1028493781 /nfs/dbraw/zinc/49/37/81/1028493781.db2.gz IWNYIIKGASVCAM-KRWDZBQOSA-N 2 2 304.821 3.662 20 0 DHADLP C[N@@H+](Cc1c(Cl)ccc2cccnc21)C[C@H]1CCC[NH+](C)C1 ZINC000118843434 1028523373 /nfs/dbraw/zinc/52/33/73/1028523373.db2.gz PVZIYXVOKHTEQH-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP C[N@H+](Cc1c(Cl)ccc2cccnc21)C[C@H]1CCC[NH+](C)C1 ZINC000118843434 1028523384 /nfs/dbraw/zinc/52/33/84/1028523384.db2.gz PVZIYXVOKHTEQH-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP C[NH+](Cc1c(Cl)ccc2cccnc21)C[C@H]1CCC[N@H+](C)C1 ZINC000118843434 1028523387 /nfs/dbraw/zinc/52/33/87/1028523387.db2.gz PVZIYXVOKHTEQH-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP C[NH+](Cc1c(Cl)ccc2cccnc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843434 1028523394 /nfs/dbraw/zinc/52/33/94/1028523394.db2.gz PVZIYXVOKHTEQH-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000449307945 1028527099 /nfs/dbraw/zinc/52/70/99/1028527099.db2.gz SOZXWNKVVJZWAW-MRXNPFEDSA-N 2 2 315.486 3.969 20 0 DHADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000449307945 1028527114 /nfs/dbraw/zinc/52/71/14/1028527114.db2.gz SOZXWNKVVJZWAW-MRXNPFEDSA-N 2 2 315.486 3.969 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000449331670 1028542254 /nfs/dbraw/zinc/54/22/54/1028542254.db2.gz OXVJLXZEXYZLPF-BEFAXECRSA-N 2 2 312.457 3.620 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000449331670 1028542258 /nfs/dbraw/zinc/54/22/58/1028542258.db2.gz OXVJLXZEXYZLPF-BEFAXECRSA-N 2 2 312.457 3.620 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000449331670 1028542262 /nfs/dbraw/zinc/54/22/62/1028542262.db2.gz OXVJLXZEXYZLPF-BEFAXECRSA-N 2 2 312.457 3.620 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000449331670 1028542271 /nfs/dbraw/zinc/54/22/71/1028542271.db2.gz OXVJLXZEXYZLPF-BEFAXECRSA-N 2 2 312.457 3.620 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H](C)c1ccccc1 ZINC000370175440 1028575110 /nfs/dbraw/zinc/57/51/10/1028575110.db2.gz UDNJPIRVLIBEIN-SEONNTABSA-N 2 2 323.484 3.856 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H](C)c1ccccc1 ZINC000370175440 1028575122 /nfs/dbraw/zinc/57/51/22/1028575122.db2.gz UDNJPIRVLIBEIN-SEONNTABSA-N 2 2 323.484 3.856 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccsc2S1 ZINC000565451953 1028588570 /nfs/dbraw/zinc/58/85/70/1028588570.db2.gz WJKCZHMFGMMDNY-OUJBWJOFSA-N 2 2 305.472 3.544 20 0 DHADLP Cc1[nH]c(CNc2ccc(C[NH+]3CCC(C)CC3)cc2)[nH+]c1C ZINC000565490291 1028593614 /nfs/dbraw/zinc/59/36/14/1028593614.db2.gz HOTSXQQRWODEIQ-UHFFFAOYSA-N 2 2 312.461 3.871 20 0 DHADLP CC[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449404825 1028621195 /nfs/dbraw/zinc/62/11/95/1028621195.db2.gz FPGMXHCOINVXON-OALUTQOASA-N 2 2 315.505 3.852 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000370629915 1028625340 /nfs/dbraw/zinc/62/53/40/1028625340.db2.gz RMVCNGXMQLKDLI-QUCCMNQESA-N 2 2 323.484 3.953 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000370629915 1028625345 /nfs/dbraw/zinc/62/53/45/1028625345.db2.gz RMVCNGXMQLKDLI-QUCCMNQESA-N 2 2 323.484 3.953 20 0 DHADLP Cc1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000370728613 1028644076 /nfs/dbraw/zinc/64/40/76/1028644076.db2.gz CJVJYSCYNGBALG-HNNXBMFYSA-N 2 2 307.397 3.625 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000567391929 1028886460 /nfs/dbraw/zinc/88/64/60/1028886460.db2.gz YBDVTQHEZYJXPT-HNAYVOBHSA-N 2 2 311.473 3.785 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000567391929 1028886477 /nfs/dbraw/zinc/88/64/77/1028886477.db2.gz YBDVTQHEZYJXPT-HNAYVOBHSA-N 2 2 311.473 3.785 20 0 DHADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000567639542 1028930506 /nfs/dbraw/zinc/93/05/06/1028930506.db2.gz ZTPIEJMBGQNVIG-AWEZNQCLSA-N 2 2 303.475 3.849 20 0 DHADLP C[C@H]1CCC[C@H]([NH+]2CCC(n3c[nH+]c4c3CCCC4)CC2)C1 ZINC000628371473 1029020245 /nfs/dbraw/zinc/02/02/45/1029020245.db2.gz IPZCSDUXUIWXMP-RDJZCZTQSA-N 2 2 301.478 3.978 20 0 DHADLP C[C@H]1C[C@@H](n2c[nH+]c3c2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000628371726 1029020331 /nfs/dbraw/zinc/02/03/31/1029020331.db2.gz ZRIRJUCBKKAMPN-WMZOPIPTSA-N 2 2 309.457 3.988 20 0 DHADLP C[C@H]1C[C@@H](n2c[nH+]c3c2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000628371726 1029020342 /nfs/dbraw/zinc/02/03/42/1029020342.db2.gz ZRIRJUCBKKAMPN-WMZOPIPTSA-N 2 2 309.457 3.988 20 0 DHADLP COc1cc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1F ZINC000373518279 1029067325 /nfs/dbraw/zinc/06/73/25/1029067325.db2.gz CEWPCSWMOUPOFJ-IUDNXUCKSA-N 2 2 306.425 3.502 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000568699379 1029115231 /nfs/dbraw/zinc/11/52/31/1029115231.db2.gz SKBGECAKICRLPQ-JWAFFJSPSA-N 2 2 324.415 3.764 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000568699379 1029115239 /nfs/dbraw/zinc/11/52/39/1029115239.db2.gz SKBGECAKICRLPQ-JWAFFJSPSA-N 2 2 324.415 3.764 20 0 DHADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)[nH+]1 ZINC000374235536 1029250978 /nfs/dbraw/zinc/25/09/78/1029250978.db2.gz LJCGGSAZHLEDFO-OAHLLOKOSA-N 2 2 322.412 3.608 20 0 DHADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nc3ccccc3o2)[nH+]1 ZINC000374235536 1029250988 /nfs/dbraw/zinc/25/09/88/1029250988.db2.gz LJCGGSAZHLEDFO-OAHLLOKOSA-N 2 2 322.412 3.608 20 0 DHADLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)cc1 ZINC000374271991 1029265156 /nfs/dbraw/zinc/26/51/56/1029265156.db2.gz PQNPQBZALGPUNU-KRWDZBQOSA-N 2 2 313.445 3.852 20 0 DHADLP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)cc1 ZINC000374271991 1029265175 /nfs/dbraw/zinc/26/51/75/1029265175.db2.gz PQNPQBZALGPUNU-KRWDZBQOSA-N 2 2 313.445 3.852 20 0 DHADLP C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817924191 1029276699 /nfs/dbraw/zinc/27/66/99/1029276699.db2.gz GGYMOHZDQVTMCD-CZAAIQMYSA-N 2 2 324.468 3.507 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000817951157 1029295523 /nfs/dbraw/zinc/29/55/23/1029295523.db2.gz AGPCPYHBOOVUBD-WFASDCNBSA-N 2 2 312.429 3.720 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000374349869 1029305057 /nfs/dbraw/zinc/30/50/57/1029305057.db2.gz IZPNDHFEHQQKCB-GFCCVEGCSA-N 2 2 312.804 3.616 20 0 DHADLP COc1ccc([C@@H]([NH2+]C[C@H](C)[NH3+])c2ccc(Cl)cc2)cc1C ZINC000817972356 1029311514 /nfs/dbraw/zinc/31/15/14/1029311514.db2.gz LHLUQPMFCJFNDD-UGSOOPFHSA-N 2 2 318.848 3.683 20 0 DHADLP C[C@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)C1CC(F)(F)C1 ZINC000529535442 1029365920 /nfs/dbraw/zinc/36/59/20/1029365920.db2.gz GSZRNOMXJMWLPQ-YOEHRIQHSA-N 2 2 308.416 3.847 20 0 DHADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562908 1029371341 /nfs/dbraw/zinc/37/13/41/1029371341.db2.gz OGQNBFLBXJSCRP-QKCSRTOESA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562908 1029371351 /nfs/dbraw/zinc/37/13/51/1029371351.db2.gz OGQNBFLBXJSCRP-QKCSRTOESA-N 2 2 320.786 3.860 20 0 DHADLP FC(F)(F)c1sccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000529535695 1029394945 /nfs/dbraw/zinc/39/49/45/1029394945.db2.gz ZTAMDISLZTUJCX-UHFFFAOYSA-N 2 2 318.408 3.873 20 0 DHADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657332 1029410347 /nfs/dbraw/zinc/41/03/47/1029410347.db2.gz WRCYEXSQYKBGHZ-OCCSQVGLSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657332 1029410354 /nfs/dbraw/zinc/41/03/54/1029410354.db2.gz WRCYEXSQYKBGHZ-OCCSQVGLSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)ccn1 ZINC000529568300 1029428094 /nfs/dbraw/zinc/42/80/94/1029428094.db2.gz WWGVYTYJAVSSFN-UXHICEINSA-N 2 2 318.424 3.605 20 0 DHADLP C(=C\c1ccccc1)\CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000450427439 1029461167 /nfs/dbraw/zinc/46/11/67/1029461167.db2.gz SNMJOKZNBTXSIU-HIZXUYSRSA-N 2 2 307.441 3.919 20 0 DHADLP C(=C\c1ccccc1)\CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000450427439 1029461169 /nfs/dbraw/zinc/46/11/69/1029461169.db2.gz SNMJOKZNBTXSIU-HIZXUYSRSA-N 2 2 307.441 3.919 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OC2CC2)CC1 ZINC000450467144 1029495305 /nfs/dbraw/zinc/49/53/05/1029495305.db2.gz KNINJVHGQOQCIV-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OC2CC2)CC1 ZINC000450467144 1029495313 /nfs/dbraw/zinc/49/53/13/1029495313.db2.gz KNINJVHGQOQCIV-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2csnn2)CC1)CC(C)C ZINC000450643583 1029587274 /nfs/dbraw/zinc/58/72/74/1029587274.db2.gz BLVGBIKJOGVUGY-HNNXBMFYSA-N 2 2 324.538 3.679 20 0 DHADLP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2csnn2)CC1)CC(C)C ZINC000450643583 1029587279 /nfs/dbraw/zinc/58/72/79/1029587279.db2.gz BLVGBIKJOGVUGY-HNNXBMFYSA-N 2 2 324.538 3.679 20 0 DHADLP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170942507 1029650918 /nfs/dbraw/zinc/65/09/18/1029650918.db2.gz JMOHUCQIGXJNNF-INIZCTEOSA-N 2 2 306.881 3.613 20 0 DHADLP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170942507 1029650924 /nfs/dbraw/zinc/65/09/24/1029650924.db2.gz JMOHUCQIGXJNNF-INIZCTEOSA-N 2 2 306.881 3.613 20 0 DHADLP CCCC[C@H](COC)[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000121303538 1029667063 /nfs/dbraw/zinc/66/70/63/1029667063.db2.gz OBGYAIPRQGCBNB-QGZVFWFLSA-N 2 2 310.507 3.507 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](CCc2c(Cl)cccc2Cl)CC1 ZINC000450853049 1029707435 /nfs/dbraw/zinc/70/74/35/1029707435.db2.gz HDGGNGDLSHYVBN-ZDUSSCGKSA-N 2 2 315.288 3.952 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](CCc2c(Cl)cccc2Cl)CC1 ZINC000450853049 1029707445 /nfs/dbraw/zinc/70/74/45/1029707445.db2.gz HDGGNGDLSHYVBN-ZDUSSCGKSA-N 2 2 315.288 3.952 20 0 DHADLP FC1(F)CC[C@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000450929255 1029740291 /nfs/dbraw/zinc/74/02/91/1029740291.db2.gz UBRXOIGJEBHLSX-GJZGRUSLSA-N 2 2 323.431 3.834 20 0 DHADLP FC1(F)CC[C@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000450929255 1029740301 /nfs/dbraw/zinc/74/03/01/1029740301.db2.gz UBRXOIGJEBHLSX-GJZGRUSLSA-N 2 2 323.431 3.834 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccco1 ZINC000820806082 1029769097 /nfs/dbraw/zinc/76/90/97/1029769097.db2.gz ZUZQJCVGMOJMNN-SFHVURJKSA-N 2 2 309.413 3.748 20 0 DHADLP COc1c(C)cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530217381 1029785281 /nfs/dbraw/zinc/78/52/81/1029785281.db2.gz SRPZERGJZDPGFM-IUODEOHRSA-N 2 2 308.853 3.592 20 0 DHADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCc3cccc(F)c3C2)c1 ZINC001170974147 1029902565 /nfs/dbraw/zinc/90/25/65/1029902565.db2.gz CNFKUZQJDHBBIH-QGZVFWFLSA-N 2 2 321.399 3.878 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290296425 1029984742 /nfs/dbraw/zinc/98/47/42/1029984742.db2.gz AUCOKDINAJYZQN-IAQYHMDHSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290296425 1029984754 /nfs/dbraw/zinc/98/47/54/1029984754.db2.gz AUCOKDINAJYZQN-IAQYHMDHSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290296425 1029984770 /nfs/dbraw/zinc/98/47/70/1029984770.db2.gz AUCOKDINAJYZQN-IAQYHMDHSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290296425 1029984785 /nfs/dbraw/zinc/98/47/85/1029984785.db2.gz AUCOKDINAJYZQN-IAQYHMDHSA-N 2 2 318.358 3.617 20 0 DHADLP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(Cl)c1 ZINC000290350205 1030010169 /nfs/dbraw/zinc/01/01/69/1030010169.db2.gz QCEWWPMQBCEARH-QGZVFWFLSA-N 2 2 324.896 3.880 20 0 DHADLP COc1ccc2ccccc2c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000290414248 1030041285 /nfs/dbraw/zinc/04/12/85/1030041285.db2.gz KFKKINQXBZILOD-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP COc1ccc2ccccc2c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000290414248 1030041303 /nfs/dbraw/zinc/04/13/03/1030041303.db2.gz KFKKINQXBZILOD-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccccc1 ZINC000924530809 1030116746 /nfs/dbraw/zinc/11/67/46/1030116746.db2.gz BPJHQEQCAHOACW-OXHPOLQJSA-N 2 2 316.489 3.617 20 0 DHADLP ClC1(Cl)C[C@H]1CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000822790197 1030120324 /nfs/dbraw/zinc/12/03/24/1030120324.db2.gz FECMEPGIUMAUCJ-GFCCVEGCSA-N 2 2 314.260 3.542 20 0 DHADLP COc1ccc2c(c1)CC[C@H]2[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000866239964 1030172637 /nfs/dbraw/zinc/17/26/37/1030172637.db2.gz YBWKPFHAFCELFX-QZTJIDSGSA-N 2 2 313.445 3.584 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cnn(C2CCC2)c1 ZINC000924729663 1030173421 /nfs/dbraw/zinc/17/34/21/1030173421.db2.gz NIYQWNUWBRQXRV-PBHICJAKSA-N 2 2 315.465 3.570 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccn1 ZINC000245884778 1030174304 /nfs/dbraw/zinc/17/43/04/1030174304.db2.gz IQWICDNRGVDTLU-RLFYNMQTSA-N 2 2 315.486 3.877 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccn1 ZINC000245884778 1030174315 /nfs/dbraw/zinc/17/43/15/1030174315.db2.gz IQWICDNRGVDTLU-RLFYNMQTSA-N 2 2 315.486 3.877 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC)n1 ZINC000924806192 1030193461 /nfs/dbraw/zinc/19/34/61/1030193461.db2.gz ACWNKLSXDYWJPQ-QGZVFWFLSA-N 2 2 322.412 3.517 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000557717084 1030260228 /nfs/dbraw/zinc/26/02/28/1030260228.db2.gz DBTSPHUCWKCRAX-LBPRGKRZSA-N 2 2 318.358 3.664 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000557717084 1030260236 /nfs/dbraw/zinc/26/02/36/1030260236.db2.gz DBTSPHUCWKCRAX-LBPRGKRZSA-N 2 2 318.358 3.664 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccns1 ZINC000925132683 1030280592 /nfs/dbraw/zinc/28/05/92/1030280592.db2.gz AVPATSHKFJEVIH-XEZPLFJOSA-N 2 2 321.515 3.938 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccns1 ZINC000925132683 1030280606 /nfs/dbraw/zinc/28/06/06/1030280606.db2.gz AVPATSHKFJEVIH-XEZPLFJOSA-N 2 2 321.515 3.938 20 0 DHADLP CCc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2cccnc2)cc1 ZINC000925138123 1030282745 /nfs/dbraw/zinc/28/27/45/1030282745.db2.gz BSYNUCWMDBYILF-CZAAIQMYSA-N 2 2 323.484 3.806 20 0 DHADLP CCc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2cccnc2)cc1 ZINC000925138123 1030282757 /nfs/dbraw/zinc/28/27/57/1030282757.db2.gz BSYNUCWMDBYILF-CZAAIQMYSA-N 2 2 323.484 3.806 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1csc(C(F)(F)F)c1 ZINC000925144590 1030284998 /nfs/dbraw/zinc/28/49/98/1030284998.db2.gz VAQPZPUFMSXKBH-NHCYSSNCSA-N 2 2 306.397 3.900 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1csc(C(F)(F)F)c1 ZINC000925144590 1030285010 /nfs/dbraw/zinc/28/50/10/1030285010.db2.gz VAQPZPUFMSXKBH-NHCYSSNCSA-N 2 2 306.397 3.900 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(-c2ccccc2)no1 ZINC000925217089 1030308254 /nfs/dbraw/zinc/30/82/54/1030308254.db2.gz LYGIFONMCMDQEB-XIRDDKMYSA-N 2 2 313.445 3.865 20 0 DHADLP Clc1ccnc2c1CCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000925233335 1030314645 /nfs/dbraw/zinc/31/46/45/1030314645.db2.gz VLSQDOSWCCSXFW-HNNXBMFYSA-N 2 2 316.836 3.599 20 0 DHADLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)Oc1ccccc1 ZINC000358168115 1030355463 /nfs/dbraw/zinc/35/54/63/1030355463.db2.gz BKLVXTYNVHVUAN-IAGOWNOFSA-N 2 2 321.424 3.990 20 0 DHADLP Clc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001171024370 1030365113 /nfs/dbraw/zinc/36/51/13/1030365113.db2.gz DQUVDOGQTLZXJG-JKSUJKDBSA-N 2 2 318.892 3.804 20 0 DHADLP Clc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001171024370 1030365136 /nfs/dbraw/zinc/36/51/36/1030365136.db2.gz DQUVDOGQTLZXJG-JKSUJKDBSA-N 2 2 318.892 3.804 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2[C@H](C)CC[C@H]2C)CC1 ZINC000925594169 1030413526 /nfs/dbraw/zinc/41/35/26/1030413526.db2.gz PCPCJECGORSJTM-BZUAXINKSA-N 2 2 301.478 3.631 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC[N@@H+]1C ZINC000358313259 1030434943 /nfs/dbraw/zinc/43/49/43/1030434943.db2.gz COXBXEMNGHDXIJ-XNRPHZJLSA-N 2 2 306.425 3.500 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC[N@H+]1C ZINC000358313259 1030434949 /nfs/dbraw/zinc/43/49/49/1030434949.db2.gz COXBXEMNGHDXIJ-XNRPHZJLSA-N 2 2 306.425 3.500 20 0 DHADLP CCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000246308749 1030473712 /nfs/dbraw/zinc/47/37/12/1030473712.db2.gz DPYHBHGFAVIJHP-MJGOQNOKSA-N 2 2 315.505 3.852 20 0 DHADLP CCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000246308749 1030473718 /nfs/dbraw/zinc/47/37/18/1030473718.db2.gz DPYHBHGFAVIJHP-MJGOQNOKSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H](c1cccc2ccccc21)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925748703 1030477141 /nfs/dbraw/zinc/47/71/41/1030477141.db2.gz XNOXNXKXAHMEJZ-ZDUSSCGKSA-N 2 2 323.465 3.874 20 0 DHADLP C[C@@H](c1cccc2ccccc21)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925748703 1030477144 /nfs/dbraw/zinc/47/71/44/1030477144.db2.gz XNOXNXKXAHMEJZ-ZDUSSCGKSA-N 2 2 323.465 3.874 20 0 DHADLP C[C@H]1CC[C@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925752428 1030478940 /nfs/dbraw/zinc/47/89/40/1030478940.db2.gz VDZGREYJIKNCQV-LRDDRELGSA-N 2 2 313.470 3.599 20 0 DHADLP C[C@H]1CC[C@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925752428 1030478943 /nfs/dbraw/zinc/47/89/43/1030478943.db2.gz VDZGREYJIKNCQV-LRDDRELGSA-N 2 2 313.470 3.599 20 0 DHADLP C[C@H]1CC[C@@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925752426 1030479709 /nfs/dbraw/zinc/47/97/09/1030479709.db2.gz VDZGREYJIKNCQV-BLLLJJGKSA-N 2 2 313.470 3.599 20 0 DHADLP C[C@H]1CC[C@@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2ccccc21 ZINC000925752426 1030479720 /nfs/dbraw/zinc/47/97/20/1030479720.db2.gz VDZGREYJIKNCQV-BLLLJJGKSA-N 2 2 313.470 3.599 20 0 DHADLP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925765067 1030486916 /nfs/dbraw/zinc/48/69/16/1030486916.db2.gz DHAWMPIKZLGCNY-BZSNNMDCSA-N 2 2 324.424 3.643 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1Cl ZINC000925779085 1030491092 /nfs/dbraw/zinc/49/10/92/1030491092.db2.gz LJQYJUAFNQEUNB-UWVGGRQHSA-N 2 2 323.214 3.889 20 0 DHADLP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3nccc4c3CCCC4)CC[NH2+]2)cc1 ZINC000925808151 1030506434 /nfs/dbraw/zinc/50/64/34/1030506434.db2.gz YRVHQDQGTYRQAE-ICSRJNTNSA-N 2 2 321.468 3.543 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000558403807 1030560128 /nfs/dbraw/zinc/56/01/28/1030560128.db2.gz KEBLLUAQEQZMFN-UQHVZDHRSA-N 2 2 308.416 3.675 20 0 DHADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000558403807 1030560139 /nfs/dbraw/zinc/56/01/39/1030560139.db2.gz KEBLLUAQEQZMFN-UQHVZDHRSA-N 2 2 308.416 3.675 20 0 DHADLP C[C@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1(Cl)Cl ZINC000824773706 1030630953 /nfs/dbraw/zinc/63/09/53/1030630953.db2.gz MYHDLMQQCVZTBV-GFCCVEGCSA-N 2 2 316.257 3.607 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc2ccccc21 ZINC000926230806 1030666669 /nfs/dbraw/zinc/66/66/69/1030666669.db2.gz XYRVPTVFRWWIDQ-YOEHRIQHSA-N 2 2 321.424 3.711 20 0 DHADLP CC(C)[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000122358442 1030669813 /nfs/dbraw/zinc/66/98/13/1030669813.db2.gz NMRSQAQUGCYYDO-FQEVSTJZSA-N 2 2 315.505 3.746 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246923818 1030676777 /nfs/dbraw/zinc/67/67/77/1030676777.db2.gz GVZPVLASDHJMBH-LQWHRVPQSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246923818 1030676785 /nfs/dbraw/zinc/67/67/85/1030676785.db2.gz GVZPVLASDHJMBH-LQWHRVPQSA-N 2 2 323.484 3.951 20 0 DHADLP Fc1cccc2[nH]cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c21 ZINC001136976877 1030696526 /nfs/dbraw/zinc/69/65/26/1030696526.db2.gz NVACTPXJMCHGTH-UHFFFAOYSA-N 2 2 315.436 3.757 20 0 DHADLP Clc1ccnc2c1CCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337041 1030705785 /nfs/dbraw/zinc/70/57/85/1030705785.db2.gz KHGGRFGVYDKUJX-KVULBXGLSA-N 2 2 319.880 3.719 20 0 DHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(-c2ccccc2)no1 ZINC000926543272 1030789214 /nfs/dbraw/zinc/78/92/14/1030789214.db2.gz WANGJBKEOZJSRO-LNRIEFBSSA-N 2 2 311.429 3.617 20 0 DHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(-c2ccccc2)no1 ZINC000926543272 1030789226 /nfs/dbraw/zinc/78/92/26/1030789226.db2.gz WANGJBKEOZJSRO-LNRIEFBSSA-N 2 2 311.429 3.617 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000249161547 1030792299 /nfs/dbraw/zinc/79/22/99/1030792299.db2.gz ZXBXQGOJSWMAMD-BHIYHBOVSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000249161547 1030792312 /nfs/dbraw/zinc/79/23/12/1030792312.db2.gz ZXBXQGOJSWMAMD-BHIYHBOVSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000249161550 1030792762 /nfs/dbraw/zinc/79/27/62/1030792762.db2.gz ZXBXQGOJSWMAMD-QRQLOZEOSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000249161550 1030792788 /nfs/dbraw/zinc/79/27/88/1030792788.db2.gz ZXBXQGOJSWMAMD-QRQLOZEOSA-N 2 2 313.489 3.604 20 0 DHADLP Cc1cccc([C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2ccccn2)c1 ZINC000926752536 1030905067 /nfs/dbraw/zinc/90/50/67/1030905067.db2.gz ALQZEIQYHBFWFJ-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP Cc1cccc([C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)c2ccccn2)c1 ZINC000926752536 1030905085 /nfs/dbraw/zinc/90/50/85/1030905085.db2.gz ALQZEIQYHBFWFJ-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926755705 1030906139 /nfs/dbraw/zinc/90/61/39/1030906139.db2.gz ZOJKNOAFLFUVEM-CVEARBPZSA-N 2 2 313.445 3.724 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926755705 1030906142 /nfs/dbraw/zinc/90/61/42/1030906142.db2.gz ZOJKNOAFLFUVEM-CVEARBPZSA-N 2 2 313.445 3.724 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000926762769 1030908985 /nfs/dbraw/zinc/90/89/85/1030908985.db2.gz PEJDLMNDIGXAKI-KXBFYZLASA-N 2 2 316.489 3.582 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000926762769 1030908995 /nfs/dbraw/zinc/90/89/95/1030908995.db2.gz PEJDLMNDIGXAKI-KXBFYZLASA-N 2 2 316.489 3.582 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000161620940 1030924124 /nfs/dbraw/zinc/92/41/24/1030924124.db2.gz UVNTURGTADZHJX-KRWDZBQOSA-N 2 2 320.452 3.892 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccnc1 ZINC000359367537 1030929324 /nfs/dbraw/zinc/92/93/24/1030929324.db2.gz BLFITLRFZKCMJL-LJQANCHMSA-N 2 2 306.413 3.754 20 0 DHADLP C[NH+](C)CCC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000359374155 1030935107 /nfs/dbraw/zinc/93/51/07/1030935107.db2.gz BMPHSHXQPHFTAM-JTQLQIEISA-N 2 2 307.290 3.974 20 0 DHADLP CC(C)CC[NH+]1CCC([NH2+]Cc2noc3cc(F)ccc23)CC1 ZINC000926812828 1030940894 /nfs/dbraw/zinc/94/08/94/1030940894.db2.gz NXJHLFNMHSGOLR-UHFFFAOYSA-N 2 2 319.424 3.567 20 0 DHADLP C[N@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001143803943 1030983329 /nfs/dbraw/zinc/98/33/29/1030983329.db2.gz HAODGBFASQKDHT-UHFFFAOYSA-N 2 2 320.786 3.885 20 0 DHADLP C[N@@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001143803943 1030983341 /nfs/dbraw/zinc/98/33/41/1030983341.db2.gz HAODGBFASQKDHT-UHFFFAOYSA-N 2 2 320.786 3.885 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000359585820 1031045495 /nfs/dbraw/zinc/04/54/95/1031045495.db2.gz FZKJZLUKAFSKIR-AEFFLSMTSA-N 2 2 302.462 3.591 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000359585820 1031045503 /nfs/dbraw/zinc/04/55/03/1031045503.db2.gz FZKJZLUKAFSKIR-AEFFLSMTSA-N 2 2 302.462 3.591 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccccc1OC(F)F ZINC000359590627 1031051209 /nfs/dbraw/zinc/05/12/09/1031051209.db2.gz IUVMTDJJBDQOFB-UKRRQHHQSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccccc1OC(F)F ZINC000359590627 1031051222 /nfs/dbraw/zinc/05/12/22/1031051222.db2.gz IUVMTDJJBDQOFB-UKRRQHHQSA-N 2 2 312.404 3.813 20 0 DHADLP C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927064384 1031063216 /nfs/dbraw/zinc/06/32/16/1031063216.db2.gz OWEMTNVMSDTMIN-KXBFYZLASA-N 2 2 318.424 3.996 20 0 DHADLP CC(C)[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cnn(C)c1 ZINC000927069992 1031071920 /nfs/dbraw/zinc/07/19/20/1031071920.db2.gz YJUQMETZAGFNFF-BEFAXECRSA-N 2 2 323.444 3.654 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261976485 1031082846 /nfs/dbraw/zinc/08/28/46/1031082846.db2.gz QVSJADMHIUDFTG-DZGCQCFKSA-N 2 2 322.880 3.688 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261976485 1031082858 /nfs/dbraw/zinc/08/28/58/1031082858.db2.gz QVSJADMHIUDFTG-DZGCQCFKSA-N 2 2 322.880 3.688 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001171132747 1031206967 /nfs/dbraw/zinc/20/69/67/1031206967.db2.gz CTPHUQQROGHINB-GOSISDBHSA-N 2 2 315.848 3.731 20 0 DHADLP c1ccc(C[NH+]2CCC3(CCN(c4cccc[nH+]4)C3)CC2)cc1 ZINC000292843721 1031210651 /nfs/dbraw/zinc/21/06/51/1031210651.db2.gz VMWVHAQSBJTMBY-UHFFFAOYSA-N 2 2 307.441 3.574 20 0 DHADLP C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282069450 1031219486 /nfs/dbraw/zinc/21/94/86/1031219486.db2.gz NCTLUMYDVHADFE-NVXWUHKLSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@H](c1cccnc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282069450 1031219503 /nfs/dbraw/zinc/21/95/03/1031219503.db2.gz NCTLUMYDVHADFE-NVXWUHKLSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282069456 1031220483 /nfs/dbraw/zinc/22/04/83/1031220483.db2.gz NCTLUMYDVHADFE-WBVHZDCISA-N 2 2 310.445 3.555 20 0 DHADLP C[C@H](c1cccnc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282069456 1031220500 /nfs/dbraw/zinc/22/05/00/1031220500.db2.gz NCTLUMYDVHADFE-WBVHZDCISA-N 2 2 310.445 3.555 20 0 DHADLP Cc1[nH+]cn([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)c1CC[NH3+] ZINC001171139039 1031241064 /nfs/dbraw/zinc/24/10/64/1031241064.db2.gz IGASGXTYRVFANL-CYBMUJFWSA-N 2 2 324.255 3.730 20 0 DHADLP COc1ccc2oc([C@@H](C)[NH2+][C@H](C)Cn3cc[nH+]c3)c(C)c2c1 ZINC000360046184 1031252293 /nfs/dbraw/zinc/25/22/93/1031252293.db2.gz OVOJLBLZSRDSKX-TZMCWYRMSA-N 2 2 313.401 3.686 20 0 DHADLP CC[C@@H](C[NH2+][C@@H]1CCCOc2cc(C)ccc21)[NH+]1CCCC1 ZINC000360079912 1031266896 /nfs/dbraw/zinc/26/68/96/1031266896.db2.gz VAJDGEVCYXYWHU-FUHWJXTLSA-N 2 2 302.462 3.673 20 0 DHADLP Cn1cccc1C[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000536659314 1031363104 /nfs/dbraw/zinc/36/31/04/1031363104.db2.gz VKAFBSGIKPLQHM-UHFFFAOYSA-N 2 2 313.489 3.615 20 0 DHADLP Cn1cccc1C[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000536659314 1031363114 /nfs/dbraw/zinc/36/31/14/1031363114.db2.gz VKAFBSGIKPLQHM-UHFFFAOYSA-N 2 2 313.489 3.615 20 0 DHADLP Cn1cccc1C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000536659314 1031363130 /nfs/dbraw/zinc/36/31/30/1031363130.db2.gz VKAFBSGIKPLQHM-UHFFFAOYSA-N 2 2 313.489 3.615 20 0 DHADLP Cn1cccc1C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000536659314 1031363141 /nfs/dbraw/zinc/36/31/41/1031363141.db2.gz VKAFBSGIKPLQHM-UHFFFAOYSA-N 2 2 313.489 3.615 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(O)c1F ZINC000872039856 1031423787 /nfs/dbraw/zinc/42/37/87/1031423787.db2.gz INBPCSWNSZBQSE-CYBMUJFWSA-N 2 2 306.425 3.589 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2ccccc2n1 ZINC000360498462 1031451510 /nfs/dbraw/zinc/45/15/10/1031451510.db2.gz BKNJQCNSEXQMFV-OAHLLOKOSA-N 2 2 309.457 3.902 20 0 DHADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2S1 ZINC000872062912 1031459089 /nfs/dbraw/zinc/45/90/89/1031459089.db2.gz LPOXBFXPRQUAOL-UKRRQHHQSA-N 2 2 313.470 3.803 20 0 DHADLP CC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000872088265 1031485699 /nfs/dbraw/zinc/48/56/99/1031485699.db2.gz NKOJTZKDHSTKOK-HKUYNNGSSA-N 2 2 308.510 3.578 20 0 DHADLP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc4[nH+]cn(C)c4c3)c2c1 ZINC001171169857 1031507223 /nfs/dbraw/zinc/50/72/23/1031507223.db2.gz RELLRSRYMIKERY-AWEZNQCLSA-N 2 2 318.424 3.715 20 0 DHADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(-c2ccccc2)o1 ZINC000929724276 1031592101 /nfs/dbraw/zinc/59/21/01/1031592101.db2.gz YXLBUKZXFUQCOW-KRWDZBQOSA-N 2 2 313.445 3.648 20 0 DHADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(-c2ccccc2)o1 ZINC000929724276 1031592113 /nfs/dbraw/zinc/59/21/13/1031592113.db2.gz YXLBUKZXFUQCOW-KRWDZBQOSA-N 2 2 313.445 3.648 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc(-c2ccccc2)o1 ZINC000929724276 1031592122 /nfs/dbraw/zinc/59/21/22/1031592122.db2.gz YXLBUKZXFUQCOW-KRWDZBQOSA-N 2 2 313.445 3.648 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnc(-c2ccccc2)o1 ZINC000929724276 1031592133 /nfs/dbraw/zinc/59/21/33/1031592133.db2.gz YXLBUKZXFUQCOW-KRWDZBQOSA-N 2 2 313.445 3.648 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137060115 1031620677 /nfs/dbraw/zinc/62/06/77/1031620677.db2.gz JHUQLOLNFVNUCG-UHFFFAOYSA-N 2 2 315.436 3.757 20 0 DHADLP Cn1cccc1C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000897572483 1031634247 /nfs/dbraw/zinc/63/42/47/1031634247.db2.gz ZQSIZDPYKDTKCB-UHFFFAOYSA-N 2 2 323.484 3.612 20 0 DHADLP Fc1ccc(F)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000361063425 1031706074 /nfs/dbraw/zinc/70/60/74/1031706074.db2.gz QFKGZFWMRMBXPI-UHFFFAOYSA-N 2 2 319.399 3.854 20 0 DHADLP C[NH+](C)CC1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000561133690 1031742593 /nfs/dbraw/zinc/74/25/93/1031742593.db2.gz HDKAUTGDFTWHAG-UHFFFAOYSA-N 2 2 303.837 3.666 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccc(F)cc1 ZINC000361231971 1031798643 /nfs/dbraw/zinc/79/86/43/1031798643.db2.gz WEZVQNRTUDVFIX-SFHVURJKSA-N 2 2 322.468 3.756 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@H]3CCOC34CCCCC4)c2)c[nH+]1 ZINC000897729190 1031825170 /nfs/dbraw/zinc/82/51/70/1031825170.db2.gz UQAIHMKUUFJMOM-INIZCTEOSA-N 2 2 317.458 3.515 20 0 DHADLP C[C@@]1(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@]1(F)Cl ZINC000846034565 1031828095 /nfs/dbraw/zinc/82/80/95/1031828095.db2.gz RUALDWRYPMUAJG-ZIAGYGMSSA-N 2 2 313.829 3.728 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H](c3ccncc3)C3CC3)c2)c[nH+]1 ZINC000898321933 1032019506 /nfs/dbraw/zinc/01/95/06/1032019506.db2.gz FHZLOKDUVZZEAN-QGZVFWFLSA-N 2 2 310.426 3.570 20 0 DHADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000361638442 1032027606 /nfs/dbraw/zinc/02/76/06/1032027606.db2.gz LXSKPYMHCVXOIF-VQIMIIECSA-N 2 2 313.445 3.509 20 0 DHADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000361638442 1032027621 /nfs/dbraw/zinc/02/76/21/1032027621.db2.gz LXSKPYMHCVXOIF-VQIMIIECSA-N 2 2 313.445 3.509 20 0 DHADLP COc1ccccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361692558 1032057336 /nfs/dbraw/zinc/05/73/36/1032057336.db2.gz MBBPERRHPQYQNH-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP COc1ccccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361692558 1032057351 /nfs/dbraw/zinc/05/73/51/1032057351.db2.gz MBBPERRHPQYQNH-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP c1c2ccccc2oc1[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccnc1 ZINC000643522701 1033342891 /nfs/dbraw/zinc/34/28/91/1033342891.db2.gz RZDISQBVQFUYBK-XLIONFOSSA-N 2 2 321.424 3.649 20 0 DHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC[NH+]1CCC(C)CC1 ZINC001172840105 1033410917 /nfs/dbraw/zinc/41/09/17/1033410917.db2.gz WVTUXSNUJCUMLX-AWEZNQCLSA-N 2 2 312.860 3.732 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2cc(OC)ccc2c1 ZINC000643537406 1033478790 /nfs/dbraw/zinc/47/87/90/1033478790.db2.gz HBKXLLVRCBRIFK-JENIJYKNSA-N 2 2 316.420 3.589 20 0 DHADLP Cc1[nH+]c2c(n1C1CCC3(CCCCC3)CC1)CC[NH2+]CC2 ZINC001173117927 1033551379 /nfs/dbraw/zinc/55/13/79/1033551379.db2.gz PPVPVXHPENGLSX-UHFFFAOYSA-N 2 2 301.478 3.945 20 0 DHADLP CN(CC1CC[NH+](C)CC1)c1cc[nH+]c2c(Cl)cccc12 ZINC000553032937 1033581544 /nfs/dbraw/zinc/58/15/44/1033581544.db2.gz GZZYJBGRYWSKTI-UHFFFAOYSA-N 2 2 303.837 3.666 20 0 DHADLP CC[NH+](CC)[C@@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000553071917 1033589797 /nfs/dbraw/zinc/58/97/97/1033589797.db2.gz ARBGVYFIWSTZCE-CYBMUJFWSA-N 2 2 303.837 3.809 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C2)[nH]1 ZINC000878252616 1033638840 /nfs/dbraw/zinc/63/88/40/1033638840.db2.gz PNYUFVDOAWPFJY-SQNIBIBYSA-N 2 2 311.429 3.509 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C2)[nH]1 ZINC000878252616 1033638843 /nfs/dbraw/zinc/63/88/43/1033638843.db2.gz PNYUFVDOAWPFJY-SQNIBIBYSA-N 2 2 311.429 3.509 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CC[C@@H](c4ccccc4)O3)C2)[nH]1 ZINC000878252615 1033639155 /nfs/dbraw/zinc/63/91/55/1033639155.db2.gz PNYUFVDOAWPFJY-KURKYZTESA-N 2 2 311.429 3.509 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CC[C@@H](c4ccccc4)O3)C2)[nH]1 ZINC000878252615 1033639159 /nfs/dbraw/zinc/63/91/59/1033639159.db2.gz PNYUFVDOAWPFJY-KURKYZTESA-N 2 2 311.429 3.509 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878318986 1033658141 /nfs/dbraw/zinc/65/81/41/1033658141.db2.gz GRUBUWWTLITCNR-MOPGFXCFSA-N 2 2 313.445 3.515 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878318986 1033658148 /nfs/dbraw/zinc/65/81/48/1033658148.db2.gz GRUBUWWTLITCNR-MOPGFXCFSA-N 2 2 313.445 3.515 20 0 DHADLP c1ccc2c(c1)CCC21CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001173685607 1033830125 /nfs/dbraw/zinc/83/01/25/1033830125.db2.gz XATRLWPXYVIBFO-FUHYEJFZSA-N 2 2 324.512 3.887 20 0 DHADLP c1ccc2c(c1)CCC21CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001173685607 1033830135 /nfs/dbraw/zinc/83/01/35/1033830135.db2.gz XATRLWPXYVIBFO-FUHYEJFZSA-N 2 2 324.512 3.887 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]21 ZINC001173692184 1033834787 /nfs/dbraw/zinc/83/47/87/1033834787.db2.gz ROHZJENCCZVBLW-UMDHHFKGSA-N 2 2 324.512 3.839 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]21 ZINC001173692184 1033834802 /nfs/dbraw/zinc/83/48/02/1033834802.db2.gz ROHZJENCCZVBLW-UMDHHFKGSA-N 2 2 324.512 3.839 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]21 ZINC001173692184 1033834807 /nfs/dbraw/zinc/83/48/07/1033834807.db2.gz ROHZJENCCZVBLW-UMDHHFKGSA-N 2 2 324.512 3.839 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]21 ZINC001173692184 1033834827 /nfs/dbraw/zinc/83/48/27/1033834827.db2.gz ROHZJENCCZVBLW-UMDHHFKGSA-N 2 2 324.512 3.839 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000173907014 1033889740 /nfs/dbraw/zinc/88/97/40/1033889740.db2.gz GYSVLOSIIDCUBU-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000173907014 1033889760 /nfs/dbraw/zinc/88/97/60/1033889760.db2.gz GYSVLOSIIDCUBU-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000173907014 1033889773 /nfs/dbraw/zinc/88/97/73/1033889773.db2.gz GYSVLOSIIDCUBU-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000173907014 1033889790 /nfs/dbraw/zinc/88/97/90/1033889790.db2.gz GYSVLOSIIDCUBU-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccnn1C1CCC1 ZINC000924727588 1033894472 /nfs/dbraw/zinc/89/44/72/1033894472.db2.gz BVVQBZGZZDEBHA-RHSMWYFYSA-N 2 2 315.465 3.570 20 0 DHADLP C[NH+](C)Cc1ccccc1Nc1[nH+]cccc1N1CCCCC1 ZINC001173929140 1033991907 /nfs/dbraw/zinc/99/19/07/1033991907.db2.gz WZDQOKPOXTYXAG-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(SC(F)F)cc1 ZINC000863542613 1034124203 /nfs/dbraw/zinc/12/42/03/1034124203.db2.gz QZHDJFVCWOYBMQ-RISCZKNCSA-N 2 2 312.429 3.937 20 0 DHADLP C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000178552475 1034246287 /nfs/dbraw/zinc/24/62/87/1034246287.db2.gz BHXDXPIJOINXFL-HZPDHXFCSA-N 2 2 321.424 3.776 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)CCO2 ZINC000178586888 1034253331 /nfs/dbraw/zinc/25/33/31/1034253331.db2.gz PWRLFEIXHOMIIS-OAHLLOKOSA-N 2 2 319.408 3.658 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[N@@H+]1C ZINC000179590377 1034318785 /nfs/dbraw/zinc/31/87/85/1034318785.db2.gz LDQYJZZHPCKUFA-GLQYFDAESA-N 2 2 318.358 3.892 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[N@H+]1C ZINC000179590377 1034318801 /nfs/dbraw/zinc/31/88/01/1034318801.db2.gz LDQYJZZHPCKUFA-GLQYFDAESA-N 2 2 318.358 3.892 20 0 DHADLP c1cn2ccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC001174397121 1034325286 /nfs/dbraw/zinc/32/52/86/1034325286.db2.gz OUMVTCMZKODYGT-UHFFFAOYSA-N 2 2 304.397 3.536 20 0 DHADLP c1cn2ccc(NC3=CCC[N@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC001174397121 1034325301 /nfs/dbraw/zinc/32/53/01/1034325301.db2.gz OUMVTCMZKODYGT-UHFFFAOYSA-N 2 2 304.397 3.536 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2cccnc2)cc1 ZINC000179675652 1034325848 /nfs/dbraw/zinc/32/58/48/1034325848.db2.gz FVARJQZKMYLTTK-MRXNPFEDSA-N 2 2 306.413 3.686 20 0 DHADLP Clc1ccc([C@@H]2CSCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000183179589 1034356316 /nfs/dbraw/zinc/35/63/16/1034356316.db2.gz MAEDPCGSGYEDDW-INIZCTEOSA-N 2 2 321.877 3.717 20 0 DHADLP Clc1ccc([C@@H]2CSCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000183179589 1034356331 /nfs/dbraw/zinc/35/63/31/1034356331.db2.gz MAEDPCGSGYEDDW-INIZCTEOSA-N 2 2 321.877 3.717 20 0 DHADLP Clc1sccc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000480668925 1034382427 /nfs/dbraw/zinc/38/24/27/1034382427.db2.gz UCURIWVFFUUOJP-UHFFFAOYSA-N 2 2 320.889 3.940 20 0 DHADLP Clc1sccc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000480668925 1034382439 /nfs/dbraw/zinc/38/24/39/1034382439.db2.gz UCURIWVFFUUOJP-UHFFFAOYSA-N 2 2 320.889 3.940 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886420 1034389382 /nfs/dbraw/zinc/38/93/82/1034389382.db2.gz KAXBNMMBJLWBKX-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886420 1034389396 /nfs/dbraw/zinc/38/93/96/1034389396.db2.gz KAXBNMMBJLWBKX-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886420 1034389407 /nfs/dbraw/zinc/38/94/07/1034389407.db2.gz KAXBNMMBJLWBKX-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886420 1034389419 /nfs/dbraw/zinc/38/94/19/1034389419.db2.gz KAXBNMMBJLWBKX-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[C@H]([NH2+]Cc1c(F)cccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769293 1034569625 /nfs/dbraw/zinc/56/96/25/1034569625.db2.gz TWQCQJZEYYKTBG-KBPBESRZSA-N 2 2 308.416 3.707 20 0 DHADLP C[C@H]([NH2+]Cc1c(F)cccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185769293 1034569639 /nfs/dbraw/zinc/56/96/39/1034569639.db2.gz TWQCQJZEYYKTBG-KBPBESRZSA-N 2 2 308.416 3.707 20 0 DHADLP C[C@@H](CCC1CC1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000186428195 1034630204 /nfs/dbraw/zinc/63/02/04/1034630204.db2.gz XNFRQUJCRNSMBZ-HOTGVXAUSA-N 2 2 301.478 3.775 20 0 DHADLP CC[N@H+]1C[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000481830362 1035001700 /nfs/dbraw/zinc/00/17/00/1035001700.db2.gz IKMOLWNFFLXTBD-FDTVDDQNSA-N 2 2 310.844 3.597 20 0 DHADLP CC[N@@H+]1C[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000481830362 1035001704 /nfs/dbraw/zinc/00/17/04/1035001704.db2.gz IKMOLWNFFLXTBD-FDTVDDQNSA-N 2 2 310.844 3.597 20 0 DHADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000481830364 1035002278 /nfs/dbraw/zinc/00/22/78/1035002278.db2.gz IKMOLWNFFLXTBD-XBOHUIDSSA-N 2 2 310.844 3.597 20 0 DHADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000481830364 1035002286 /nfs/dbraw/zinc/00/22/86/1035002286.db2.gz IKMOLWNFFLXTBD-XBOHUIDSSA-N 2 2 310.844 3.597 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481912860 1035032385 /nfs/dbraw/zinc/03/23/85/1035032385.db2.gz ZLKANCLQPAHEKJ-DZGCQCFKSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481912860 1035032393 /nfs/dbraw/zinc/03/23/93/1035032393.db2.gz ZLKANCLQPAHEKJ-DZGCQCFKSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@H+](CC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000481917193 1035034601 /nfs/dbraw/zinc/03/46/01/1035034601.db2.gz AHGVLTCPDJCRGP-CYBMUJFWSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@@H+](CC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000481917193 1035034609 /nfs/dbraw/zinc/03/46/09/1035034609.db2.gz AHGVLTCPDJCRGP-CYBMUJFWSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000481928334 1035035638 /nfs/dbraw/zinc/03/56/38/1035035638.db2.gz RBDMRAUYTUHWKL-LRDDRELGSA-N 2 2 314.395 3.566 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)[NH+](C)C ZINC000481932865 1035036707 /nfs/dbraw/zinc/03/67/07/1035036707.db2.gz PAFRKOYCXHCEKY-GFCCVEGCSA-N 2 2 302.384 3.566 20 0 DHADLP CCCc1cc[nH+]c(Nc2ccc(N3CC[NH+](CC)CC3)cc2)c1 ZINC001175782725 1035118945 /nfs/dbraw/zinc/11/89/45/1035118945.db2.gz VNFKLZNTOMZSTC-UHFFFAOYSA-N 2 2 324.472 3.920 20 0 DHADLP Cc1ccc(C)c(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000668062409 1035126964 /nfs/dbraw/zinc/12/69/64/1035126964.db2.gz IYMVGNOAUYHXOU-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP Cc1ccc(C)c(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000668062409 1035126974 /nfs/dbraw/zinc/12/69/74/1035126974.db2.gz IYMVGNOAUYHXOU-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP CCOC(=O)c1ccc2[nH+]ccc(Nc3cc(C)[nH+]c(C)c3)c2c1 ZINC001176054486 1035198211 /nfs/dbraw/zinc/19/82/11/1035198211.db2.gz WEBAVQHGXDXQKO-UHFFFAOYSA-N 2 2 321.380 3.589 20 0 DHADLP CC[N@H+](C)c1ccc(Nc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001176231051 1035228160 /nfs/dbraw/zinc/22/81/60/1035228160.db2.gz HIPZSIYQSZZQPV-UHFFFAOYSA-N 2 2 313.445 3.827 20 0 DHADLP CC[N@@H+](C)c1ccc(Nc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001176231051 1035228165 /nfs/dbraw/zinc/22/81/65/1035228165.db2.gz HIPZSIYQSZZQPV-UHFFFAOYSA-N 2 2 313.445 3.827 20 0 DHADLP Cc1ccc(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1C ZINC000668227572 1035245918 /nfs/dbraw/zinc/24/59/18/1035245918.db2.gz NJCWEHLYFRZTNO-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP Cc1ccc(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1C ZINC000668227572 1035245922 /nfs/dbraw/zinc/24/59/22/1035245922.db2.gz NJCWEHLYFRZTNO-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccccc1C(C)(C)C ZINC000483313374 1035255803 /nfs/dbraw/zinc/25/58/03/1035255803.db2.gz AJTCHZWGTVFZMA-UHFFFAOYSA-N 2 2 315.461 3.582 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccccc1C(C)(C)C ZINC000483313374 1035255808 /nfs/dbraw/zinc/25/58/08/1035255808.db2.gz AJTCHZWGTVFZMA-UHFFFAOYSA-N 2 2 315.461 3.582 20 0 DHADLP C[N@H+](CCC1CCCCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000483350762 1035259694 /nfs/dbraw/zinc/25/96/94/1035259694.db2.gz YGDLYXDJXXMJEV-PMACEKPBSA-N 2 2 315.505 3.977 20 0 DHADLP C[N@@H+](CCC1CCCCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000483350762 1035259699 /nfs/dbraw/zinc/25/96/99/1035259699.db2.gz YGDLYXDJXXMJEV-PMACEKPBSA-N 2 2 315.505 3.977 20 0 DHADLP C[NH+](CCC1CCCCC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000483350762 1035259704 /nfs/dbraw/zinc/25/97/04/1035259704.db2.gz YGDLYXDJXXMJEV-PMACEKPBSA-N 2 2 315.505 3.977 20 0 DHADLP C[NH+](CCC1CCCCC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000483350762 1035259706 /nfs/dbraw/zinc/25/97/06/1035259706.db2.gz YGDLYXDJXXMJEV-PMACEKPBSA-N 2 2 315.505 3.977 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000483750574 1035296385 /nfs/dbraw/zinc/29/63/85/1035296385.db2.gz YPMVNCRYQYXUFI-VNHYZAJKSA-N 2 2 310.869 3.872 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000483750574 1035296387 /nfs/dbraw/zinc/29/63/87/1035296387.db2.gz YPMVNCRYQYXUFI-VNHYZAJKSA-N 2 2 310.869 3.872 20 0 DHADLP Cc1cc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)sn1 ZINC001176990603 1035341579 /nfs/dbraw/zinc/34/15/79/1035341579.db2.gz LBQKMHKYQWLXBZ-AWEZNQCLSA-N 2 2 318.490 3.783 20 0 DHADLP Cc1cc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)sn1 ZINC001176990603 1035341581 /nfs/dbraw/zinc/34/15/81/1035341581.db2.gz LBQKMHKYQWLXBZ-AWEZNQCLSA-N 2 2 318.490 3.783 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(OCCC(C)C)c1 ZINC000484643381 1035383113 /nfs/dbraw/zinc/38/31/13/1035383113.db2.gz SXIYCZMYGBNOLS-HKUYNNGSSA-N 2 2 318.505 3.992 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCCC(C)C)c1 ZINC000484643381 1035383119 /nfs/dbraw/zinc/38/31/19/1035383119.db2.gz SXIYCZMYGBNOLS-HKUYNNGSSA-N 2 2 318.505 3.992 20 0 DHADLP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000484655611 1035384713 /nfs/dbraw/zinc/38/47/13/1035384713.db2.gz RDRSTTSBBDPBJX-IEBWSBKVSA-N 2 2 313.445 3.561 20 0 DHADLP CC1(C)Cc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)ccc2O1 ZINC001179316581 1035474372 /nfs/dbraw/zinc/47/43/72/1035474372.db2.gz ZZUDJIGFRYICII-SFHVURJKSA-N 2 2 314.473 3.507 20 0 DHADLP CC1(C)Cc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)ccc2O1 ZINC001179316581 1035474373 /nfs/dbraw/zinc/47/43/73/1035474373.db2.gz ZZUDJIGFRYICII-SFHVURJKSA-N 2 2 314.473 3.507 20 0 DHADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)c(Cl)c3Cl)[C@H]2C1 ZINC001179814945 1035506779 /nfs/dbraw/zinc/50/67/79/1035506779.db2.gz BYMPTILYEBATHN-GVXVVHGQSA-N 2 2 317.235 3.562 20 0 DHADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)c(Cl)c3Cl)[C@H]2C1 ZINC001179814945 1035506785 /nfs/dbraw/zinc/50/67/85/1035506785.db2.gz BYMPTILYEBATHN-GVXVVHGQSA-N 2 2 317.235 3.562 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000494607656 1035717526 /nfs/dbraw/zinc/71/75/26/1035717526.db2.gz GCCVZSKFSALMDP-OAHLLOKOSA-N 2 2 313.420 3.536 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001180786677 1035756716 /nfs/dbraw/zinc/75/67/16/1035756716.db2.gz IIPNCRQIRLAJBR-FBBABVLZSA-N 2 2 323.484 3.868 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001180786677 1035756731 /nfs/dbraw/zinc/75/67/31/1035756731.db2.gz IIPNCRQIRLAJBR-FBBABVLZSA-N 2 2 323.484 3.868 20 0 DHADLP Fc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000485712294 1035901022 /nfs/dbraw/zinc/90/10/22/1035901022.db2.gz MRWBWAIBGRJPAQ-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000485712294 1035901038 /nfs/dbraw/zinc/90/10/38/1035901038.db2.gz MRWBWAIBGRJPAQ-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000485712294 1035901054 /nfs/dbraw/zinc/90/10/54/1035901054.db2.gz MRWBWAIBGRJPAQ-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000485712294 1035901072 /nfs/dbraw/zinc/90/10/72/1035901072.db2.gz MRWBWAIBGRJPAQ-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc([C@H]2C[C@@H]2[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC001194525380 1035949740 /nfs/dbraw/zinc/94/97/40/1035949740.db2.gz NJYLCAAFWSPEPG-RTWAWAEBSA-N 2 2 324.443 3.936 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2ccccc2[nH]1 ZINC000775623626 1036084187 /nfs/dbraw/zinc/08/41/87/1036084187.db2.gz SPCXMUJJRYPHBZ-CQSZACIVSA-N 2 2 308.429 3.594 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000494924829 1036126268 /nfs/dbraw/zinc/12/62/68/1036126268.db2.gz VICLPUXCMOFRLS-UHFFFAOYSA-N 2 2 319.836 3.841 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000494935574 1036137682 /nfs/dbraw/zinc/13/76/82/1036137682.db2.gz HSYHAVURSAJLTI-ZFWWWQNUSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000494935574 1036137713 /nfs/dbraw/zinc/13/77/13/1036137713.db2.gz HSYHAVURSAJLTI-ZFWWWQNUSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000494935574 1036137724 /nfs/dbraw/zinc/13/77/24/1036137724.db2.gz HSYHAVURSAJLTI-ZFWWWQNUSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000494935574 1036137738 /nfs/dbraw/zinc/13/77/38/1036137738.db2.gz HSYHAVURSAJLTI-ZFWWWQNUSA-N 2 2 310.869 3.653 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccco3)s2)C[C@H]1C ZINC000494949918 1036147693 /nfs/dbraw/zinc/14/76/93/1036147693.db2.gz DXVMEUJXBKTKAQ-ZIAGYGMSSA-N 2 2 319.474 3.708 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccco3)s2)C[C@H]1C ZINC000494949918 1036147703 /nfs/dbraw/zinc/14/77/03/1036147703.db2.gz DXVMEUJXBKTKAQ-ZIAGYGMSSA-N 2 2 319.474 3.708 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)C[C@H]1C ZINC000494949918 1036147718 /nfs/dbraw/zinc/14/77/18/1036147718.db2.gz DXVMEUJXBKTKAQ-ZIAGYGMSSA-N 2 2 319.474 3.708 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)C[C@H]1C ZINC000494949918 1036147729 /nfs/dbraw/zinc/14/77/29/1036147729.db2.gz DXVMEUJXBKTKAQ-ZIAGYGMSSA-N 2 2 319.474 3.708 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCOc3cccc4ccccc43)C2)[nH]1 ZINC000495020434 1036189841 /nfs/dbraw/zinc/18/98/41/1036189841.db2.gz SCQKGDWKXDJMMB-KRWDZBQOSA-N 2 2 321.424 3.821 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](CCOc3cccc4ccccc43)C2)[nH]1 ZINC000495020434 1036189851 /nfs/dbraw/zinc/18/98/51/1036189851.db2.gz SCQKGDWKXDJMMB-KRWDZBQOSA-N 2 2 321.424 3.821 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000540982636 1036205204 /nfs/dbraw/zinc/20/52/04/1036205204.db2.gz NEMFOGWVHCSUPM-AWEZNQCLSA-N 2 2 307.507 3.574 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000540982636 1036205222 /nfs/dbraw/zinc/20/52/22/1036205222.db2.gz NEMFOGWVHCSUPM-AWEZNQCLSA-N 2 2 307.507 3.574 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000495056838 1036207755 /nfs/dbraw/zinc/20/77/55/1036207755.db2.gz DBEWXIRIUHXLIO-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000495056838 1036207773 /nfs/dbraw/zinc/20/77/73/1036207773.db2.gz DBEWXIRIUHXLIO-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000495056838 1036207787 /nfs/dbraw/zinc/20/77/87/1036207787.db2.gz DBEWXIRIUHXLIO-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000495056838 1036207800 /nfs/dbraw/zinc/20/78/00/1036207800.db2.gz DBEWXIRIUHXLIO-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc(-c4ccccc4)cs3)[C@@H]2C1 ZINC000495092597 1036240544 /nfs/dbraw/zinc/24/05/44/1036240544.db2.gz XGFQDDWQEHXDRP-VQIMIIECSA-N 2 2 312.482 3.941 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc(-c4ccccc4)cs3)[C@@H]2C1 ZINC000495092597 1036240559 /nfs/dbraw/zinc/24/05/59/1036240559.db2.gz XGFQDDWQEHXDRP-VQIMIIECSA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)cs3)[C@@H]2C1 ZINC000495092597 1036240572 /nfs/dbraw/zinc/24/05/72/1036240572.db2.gz XGFQDDWQEHXDRP-VQIMIIECSA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)cs3)[C@@H]2C1 ZINC000495092597 1036240588 /nfs/dbraw/zinc/24/05/88/1036240588.db2.gz XGFQDDWQEHXDRP-VQIMIIECSA-N 2 2 312.482 3.941 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4)s3)[C@@H]2C1 ZINC000495108974 1036261344 /nfs/dbraw/zinc/26/13/44/1036261344.db2.gz NXOFIKXHRCRLHN-CRAIPNDOSA-N 2 2 312.482 3.941 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4)s3)[C@@H]2C1 ZINC000495108974 1036261355 /nfs/dbraw/zinc/26/13/55/1036261355.db2.gz NXOFIKXHRCRLHN-CRAIPNDOSA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4)s3)[C@@H]2C1 ZINC000495108974 1036261370 /nfs/dbraw/zinc/26/13/70/1036261370.db2.gz NXOFIKXHRCRLHN-CRAIPNDOSA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)s3)[C@@H]2C1 ZINC000495108974 1036261390 /nfs/dbraw/zinc/26/13/90/1036261390.db2.gz NXOFIKXHRCRLHN-CRAIPNDOSA-N 2 2 312.482 3.941 20 0 DHADLP [NH3+][C@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205124012 1036334368 /nfs/dbraw/zinc/33/43/68/1036334368.db2.gz INQFCJNBUWDEMR-AWEZNQCLSA-N 2 2 321.877 3.777 20 0 DHADLP [NH3+][C@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC001205124012 1036334381 /nfs/dbraw/zinc/33/43/81/1036334381.db2.gz INQFCJNBUWDEMR-AWEZNQCLSA-N 2 2 321.877 3.777 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccn(C)n1 ZINC000541732496 1036413167 /nfs/dbraw/zinc/41/31/67/1036413167.db2.gz MULVOICCWNIUEE-KSSFIOAISA-N 2 2 323.444 3.716 20 0 DHADLP Fc1ccc(/C=C\C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000541772010 1036427963 /nfs/dbraw/zinc/42/79/63/1036427963.db2.gz UGEDKBZNKLPBHK-AWFCHZOYSA-N 2 2 320.427 3.786 20 0 DHADLP Fc1ccc(/C=C\C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000541772010 1036427972 /nfs/dbraw/zinc/42/79/72/1036427972.db2.gz UGEDKBZNKLPBHK-AWFCHZOYSA-N 2 2 320.427 3.786 20 0 DHADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001205264252 1036571006 /nfs/dbraw/zinc/57/10/06/1036571006.db2.gz IGWXUQTUONULAF-CQSZACIVSA-N 2 2 304.331 3.548 20 0 DHADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001205264252 1036571015 /nfs/dbraw/zinc/57/10/15/1036571015.db2.gz IGWXUQTUONULAF-CQSZACIVSA-N 2 2 304.331 3.548 20 0 DHADLP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1CCCC1 ZINC001183378797 1036589689 /nfs/dbraw/zinc/58/96/89/1036589689.db2.gz DTDKISGCJZBWDZ-RTBURBONSA-N 2 2 308.510 3.578 20 0 DHADLP CO[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1CCCC1 ZINC001183378797 1036589704 /nfs/dbraw/zinc/58/97/04/1036589704.db2.gz DTDKISGCJZBWDZ-RTBURBONSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184265927 1036789508 /nfs/dbraw/zinc/78/95/08/1036789508.db2.gz WXXOEEUADQWNRH-ZDUSSCGKSA-N 2 2 312.860 3.732 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184265927 1036789526 /nfs/dbraw/zinc/78/95/26/1036789526.db2.gz WXXOEEUADQWNRH-ZDUSSCGKSA-N 2 2 312.860 3.732 20 0 DHADLP CC[C@H](C)[C@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001184375635 1036827588 /nfs/dbraw/zinc/82/75/88/1036827588.db2.gz VVKJSSGADDXZTO-BQFCYCMXSA-N 2 2 321.509 3.879 20 0 DHADLP CC[C@H](C)[C@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001184375635 1036827596 /nfs/dbraw/zinc/82/75/96/1036827596.db2.gz VVKJSSGADDXZTO-BQFCYCMXSA-N 2 2 321.509 3.879 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000171689268 1036929226 /nfs/dbraw/zinc/92/92/26/1036929226.db2.gz UFNKVMPWUBQPEI-UHFFFAOYSA-N 2 2 316.367 3.548 20 0 DHADLP c1cc2cccc(C[NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)c2[nH]1 ZINC000236592323 1036969505 /nfs/dbraw/zinc/96/95/05/1036969505.db2.gz VJJSMCKZWHDPJN-HXUWFJFHSA-N 2 2 319.452 3.922 20 0 DHADLP c1cc2cccc(C[NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)c2[nH]1 ZINC000236592323 1036969514 /nfs/dbraw/zinc/96/95/14/1036969514.db2.gz VJJSMCKZWHDPJN-HXUWFJFHSA-N 2 2 319.452 3.922 20 0 DHADLP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152241362 1036976492 /nfs/dbraw/zinc/97/64/92/1036976492.db2.gz ZVDLGCDZQOLQAS-AWEZNQCLSA-N 2 2 303.475 3.882 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)CS1 ZINC000488413492 1037011705 /nfs/dbraw/zinc/01/17/05/1037011705.db2.gz FNGLEFCOLRGPKB-GJZGRUSLSA-N 2 2 307.507 3.784 20 0 DHADLP CC(C)SCC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790939 1037123265 /nfs/dbraw/zinc/12/32/65/1037123265.db2.gz QEBWGXAMPCDYIV-OAHLLOKOSA-N 2 2 309.523 3.959 20 0 DHADLP CC(C)SCC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790939 1037123274 /nfs/dbraw/zinc/12/32/74/1037123274.db2.gz QEBWGXAMPCDYIV-OAHLLOKOSA-N 2 2 309.523 3.959 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H]2CCC=CO2)c(C)c1 ZINC000775031078 1037440582 /nfs/dbraw/zinc/44/05/82/1037440582.db2.gz AOTJKGGBCQERCY-MJGOQNOKSA-N 2 2 311.429 3.524 20 0 DHADLP C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000646010822 1037456965 /nfs/dbraw/zinc/45/69/65/1037456965.db2.gz PQCXAGHFJXFJSE-SFHVURJKSA-N 2 2 301.409 3.510 20 0 DHADLP C[C@@]1(Cc2ccccc2F)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000646010822 1037456973 /nfs/dbraw/zinc/45/69/73/1037456973.db2.gz PQCXAGHFJXFJSE-SFHVURJKSA-N 2 2 301.409 3.510 20 0 DHADLP Cc1[nH+]c2cc(NCc3cc(-n4cc[nH+]c4)cs3)ccc2n1C ZINC001201133643 1037536793 /nfs/dbraw/zinc/53/67/93/1037536793.db2.gz QZPDYDHPJCLGJJ-UHFFFAOYSA-N 2 2 323.425 3.741 20 0 DHADLP C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348837395 1037538112 /nfs/dbraw/zinc/53/81/12/1037538112.db2.gz HQPFROHJTQFBHF-YOEHRIQHSA-N 2 2 315.486 3.788 20 0 DHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001205914171 1037579153 /nfs/dbraw/zinc/57/91/53/1037579153.db2.gz LHFHELSJPQMATD-ZJUUUORDSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001205914171 1037579167 /nfs/dbraw/zinc/57/91/67/1037579167.db2.gz LHFHELSJPQMATD-ZJUUUORDSA-N 2 2 322.321 3.543 20 0 DHADLP Nc1ccc(Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c[nH+]1 ZINC001201286801 1037585461 /nfs/dbraw/zinc/58/54/61/1037585461.db2.gz AZDVEJLBMRAQSF-UHFFFAOYSA-N 2 2 316.408 3.923 20 0 DHADLP Nc1ccc(Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c[nH+]1 ZINC001201286801 1037585474 /nfs/dbraw/zinc/58/54/74/1037585474.db2.gz AZDVEJLBMRAQSF-UHFFFAOYSA-N 2 2 316.408 3.923 20 0 DHADLP CC[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000152836717 1037611781 /nfs/dbraw/zinc/61/17/81/1037611781.db2.gz PHBMJBHXMZQIOQ-JKSUJKDBSA-N 2 2 303.494 3.746 20 0 DHADLP CCCC[C@@H](CC)C[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201559886 1037777545 /nfs/dbraw/zinc/77/75/45/1037777545.db2.gz OCJFCECHQFBXPS-QGZVFWFLSA-N 2 2 318.509 3.511 20 0 DHADLP Fc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491060601 1037904970 /nfs/dbraw/zinc/90/49/70/1037904970.db2.gz LICRDJWPCJUENQ-GOSISDBHSA-N 2 2 304.453 3.914 20 0 DHADLP Fc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491060601 1037904981 /nfs/dbraw/zinc/90/49/81/1037904981.db2.gz LICRDJWPCJUENQ-GOSISDBHSA-N 2 2 304.453 3.914 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000163791392 1038004078 /nfs/dbraw/zinc/00/40/78/1038004078.db2.gz UCYVSMAGMNGCAS-OAHLLOKOSA-N 2 2 309.816 3.880 20 0 DHADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)CCO2 ZINC000163805587 1038005646 /nfs/dbraw/zinc/00/56/46/1038005646.db2.gz ATCCEJMPGZDYRM-KRWDZBQOSA-N 2 2 311.429 3.559 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000573387033 1038927570 /nfs/dbraw/zinc/92/75/70/1038927570.db2.gz YJQBGKHBHNWKPO-KKUMJFAQSA-N 2 2 306.416 3.818 20 0 DHADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCc3cc(F)ccc3C2)cc1 ZINC001168421653 1039940200 /nfs/dbraw/zinc/94/02/00/1039940200.db2.gz SJJDXPKZKUDXFU-IBGZPJMESA-N 2 2 321.399 3.878 20 0 DHADLP Fc1ccc2c(cc[nH+]c2NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000574872460 1040062737 /nfs/dbraw/zinc/06/27/37/1040062737.db2.gz NMMCRUZRKWNMOA-UHFFFAOYSA-N 2 2 313.420 4.193 20 0 DHADLP COc1cccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608072363 1040362985 /nfs/dbraw/zinc/36/29/85/1040362985.db2.gz KYWHSJFXNSWLGJ-IBGZPJMESA-N 2 2 321.424 3.502 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc(F)c1)c1ccccc1 ZINC000608071143 1040366290 /nfs/dbraw/zinc/36/62/90/1040366290.db2.gz IGEBHDBOKTUVSU-SFHVURJKSA-N 2 2 309.388 3.633 20 0 DHADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000608495693 1040525368 /nfs/dbraw/zinc/52/53/68/1040525368.db2.gz XXNRIZPWVVRMRK-MRXNPFEDSA-N 2 2 322.412 3.684 20 0 DHADLP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000608495693 1040525389 /nfs/dbraw/zinc/52/53/89/1040525389.db2.gz XXNRIZPWVVRMRK-MRXNPFEDSA-N 2 2 322.412 3.684 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000090667218 185308756 /nfs/dbraw/zinc/30/87/56/185308756.db2.gz LCTDZZPRGWTEMB-IERDGZPVSA-N 2 2 321.468 3.884 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(Br)s2)c2ccccc21 ZINC000132026627 334938613 /nfs/dbraw/zinc/93/86/13/334938613.db2.gz TYINBOUMSHXFDK-OLZOCXBDSA-N 2 2 323.259 3.745 20 0 DHADLP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000091961212 193132074 /nfs/dbraw/zinc/13/20/74/193132074.db2.gz QEDMKLXEDIPEGT-ZBFHGGJFSA-N 2 2 318.490 3.621 20 0 DHADLP CC(C)Cc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000091961212 193132077 /nfs/dbraw/zinc/13/20/77/193132077.db2.gz QEDMKLXEDIPEGT-ZBFHGGJFSA-N 2 2 318.490 3.621 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1Br ZINC000020129027 182190336 /nfs/dbraw/zinc/19/03/36/182190336.db2.gz OIJWORCAUQVZIB-ZDUSSCGKSA-N 2 2 311.267 3.586 20 0 DHADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000041064056 183161000 /nfs/dbraw/zinc/16/10/00/183161000.db2.gz QLAQBAXWQFEKAI-SECBINFHSA-N 2 2 302.180 3.680 20 0 DHADLP Cc1oc2ccccc2c1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261663177 335056725 /nfs/dbraw/zinc/05/67/25/335056725.db2.gz ILEFYPIZOPQVFV-RBUKOAKNSA-N 2 2 306.409 3.668 20 0 DHADLP Cc1oc2ccccc2c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261663177 335056726 /nfs/dbraw/zinc/05/67/26/335056726.db2.gz ILEFYPIZOPQVFV-RBUKOAKNSA-N 2 2 306.409 3.668 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272711907 130056101 /nfs/dbraw/zinc/05/61/01/130056101.db2.gz YADNXLAVIIVLDB-ZDUSSCGKSA-N 2 2 318.383 3.607 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000340181900 131013260 /nfs/dbraw/zinc/01/32/60/131013260.db2.gz JVWWKDSJACAFJE-ZACQAIPSSA-N 2 2 316.489 3.714 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000285197767 131146837 /nfs/dbraw/zinc/14/68/37/131146837.db2.gz WKWTVEBHYOMVJD-MAUKXSAKSA-N 2 2 313.445 3.504 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000285197767 131146838 /nfs/dbraw/zinc/14/68/38/131146838.db2.gz WKWTVEBHYOMVJD-MAUKXSAKSA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000285197767 131146840 /nfs/dbraw/zinc/14/68/40/131146840.db2.gz WKWTVEBHYOMVJD-MAUKXSAKSA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000285197767 131146841 /nfs/dbraw/zinc/14/68/41/131146841.db2.gz WKWTVEBHYOMVJD-MAUKXSAKSA-N 2 2 313.445 3.504 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000285804603 131203581 /nfs/dbraw/zinc/20/35/81/131203581.db2.gz VLMBZHKFRMSKQK-KRWDZBQOSA-N 2 2 309.457 3.705 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000286048315 131217184 /nfs/dbraw/zinc/21/71/84/131217184.db2.gz KVVXYNVHUWIQMT-BJLQDIEVSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000286048315 131217186 /nfs/dbraw/zinc/21/71/86/131217186.db2.gz KVVXYNVHUWIQMT-BJLQDIEVSA-N 2 2 323.484 3.951 20 0 DHADLP CCc1nc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000340236949 131244417 /nfs/dbraw/zinc/24/44/17/131244417.db2.gz LEXNQSQVIGPVRS-DOTOQJQBSA-N 2 2 315.486 3.631 20 0 DHADLP CCc1nc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000340236949 131244418 /nfs/dbraw/zinc/24/44/18/131244418.db2.gz LEXNQSQVIGPVRS-DOTOQJQBSA-N 2 2 315.486 3.631 20 0 DHADLP CC(C)n1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000369555255 131308995 /nfs/dbraw/zinc/30/89/95/131308995.db2.gz ALCFEMWHLSXUMJ-QZTJIDSGSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000369555255 131308997 /nfs/dbraw/zinc/30/89/97/131308997.db2.gz ALCFEMWHLSXUMJ-QZTJIDSGSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1nccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000369555255 131308999 /nfs/dbraw/zinc/30/89/99/131308999.db2.gz ALCFEMWHLSXUMJ-QZTJIDSGSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1nccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000369555255 131309001 /nfs/dbraw/zinc/30/90/01/131309001.db2.gz ALCFEMWHLSXUMJ-QZTJIDSGSA-N 2 2 318.509 3.550 20 0 DHADLP Cc1ccc2c(CC[NH2+]CCCc3c[nH+]ccc3C)c[nH]c2c1 ZINC000289201959 131365641 /nfs/dbraw/zinc/36/56/41/131365641.db2.gz HUAIXGMVHQLILW-UHFFFAOYSA-N 2 2 307.441 3.945 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cccc2cccnc21 ZINC000289223247 131366815 /nfs/dbraw/zinc/36/68/15/131366815.db2.gz JNXHVLUZIPUDCC-UHFFFAOYSA-N 2 2 305.425 3.703 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000289305953 131372222 /nfs/dbraw/zinc/37/22/22/131372222.db2.gz RNHWOACTPILMAI-UHFFFAOYSA-N 3 2 315.505 3.567 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000289331182 131374910 /nfs/dbraw/zinc/37/49/10/131374910.db2.gz KYBJJOUGYQZWQA-UHFFFAOYSA-N 2 2 323.362 3.646 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000289578179 131397733 /nfs/dbraw/zinc/39/77/33/131397733.db2.gz HSZKEAWHNBMIGJ-PMACEKPBSA-N 2 2 310.441 3.833 20 0 DHADLP FC(F)SCc1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000035015369 331466106 /nfs/dbraw/zinc/46/61/06/331466106.db2.gz REMRJBIRPNKTIM-UHFFFAOYSA-N 2 2 318.433 3.701 20 0 DHADLP CCCC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccc(OC)cc1 ZINC000516785258 331504084 /nfs/dbraw/zinc/50/40/84/331504084.db2.gz HMXOEMLJNWUATD-SFHVURJKSA-N 2 2 301.434 3.758 20 0 DHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCc1c[nH+]ccc1C ZINC000517435983 331690944 /nfs/dbraw/zinc/69/09/44/331690944.db2.gz LXWHLLFVUZLFHX-SFHVURJKSA-N 2 2 314.404 3.747 20 0 DHADLP c1[nH+]c2n(c1C[NH2+]Cc1cccc(-c3ccccn3)c1)CCCC2 ZINC000557350110 331784817 /nfs/dbraw/zinc/78/48/17/331784817.db2.gz RYARKDSKRJAPIB-UHFFFAOYSA-N 2 2 318.424 3.571 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000313270629 331928975 /nfs/dbraw/zinc/92/89/75/331928975.db2.gz BLWUTHDJIGVOFF-FQEVSTJZSA-N 2 2 305.425 3.536 20 0 DHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000559311251 332022478 /nfs/dbraw/zinc/02/24/78/332022478.db2.gz GVLCDBVDWWQBRS-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000559311251 332022479 /nfs/dbraw/zinc/02/24/79/332022479.db2.gz GVLCDBVDWWQBRS-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000559311251 332022480 /nfs/dbraw/zinc/02/24/80/332022480.db2.gz GVLCDBVDWWQBRS-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000559311251 332022481 /nfs/dbraw/zinc/02/24/81/332022481.db2.gz GVLCDBVDWWQBRS-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP Cn1c(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[nH+]c2cccc(F)c21 ZINC000409732986 332050969 /nfs/dbraw/zinc/05/09/69/332050969.db2.gz PHMMWVLPNKISEV-DLBZAZTESA-N 2 2 324.403 3.570 20 0 DHADLP Cn1c(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[nH+]c2cccc(F)c21 ZINC000409732986 332050971 /nfs/dbraw/zinc/05/09/71/332050971.db2.gz PHMMWVLPNKISEV-DLBZAZTESA-N 2 2 324.403 3.570 20 0 DHADLP CC[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449433789 332185612 /nfs/dbraw/zinc/18/56/12/332185612.db2.gz NVKRVVPIXJWOHV-KGLIPLIRSA-N 2 2 306.416 3.819 20 0 DHADLP Cc1ccc(C2CC[NH+]([C@@H](C)c3nc(C(C)C)no3)CC2)c[nH+]1 ZINC000363671236 332216900 /nfs/dbraw/zinc/21/69/00/332216900.db2.gz JGWHHCSAUAXEKI-AWEZNQCLSA-N 2 2 314.433 3.837 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](CC(C)C)c1ccccn1)CCC2 ZINC000363755809 332240598 /nfs/dbraw/zinc/24/05/98/332240598.db2.gz FXLYGKRMTMOBOY-AEFFLSMTSA-N 2 2 312.461 3.841 20 0 DHADLP Clc1cccc2c1CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000559953826 332296820 /nfs/dbraw/zinc/29/68/20/332296820.db2.gz LNZLRDPLUVJDPI-MRXNPFEDSA-N 2 2 301.821 3.650 20 0 DHADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000262327274 335100259 /nfs/dbraw/zinc/10/02/59/335100259.db2.gz RYESDCRHDIBGOP-YMRXKLBXSA-N 2 2 300.377 3.630 20 0 DHADLP C[C@H](C[N@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000560541494 332355445 /nfs/dbraw/zinc/35/54/45/332355445.db2.gz OQEUBIMRXLSUGN-QGZVFWFLSA-N 2 2 300.446 3.837 20 0 DHADLP C[C@H](C[N@@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000560541494 332355447 /nfs/dbraw/zinc/35/54/47/332355447.db2.gz OQEUBIMRXLSUGN-QGZVFWFLSA-N 2 2 300.446 3.837 20 0 DHADLP C[C@H](C[NH+](C)CCC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000560541494 332355448 /nfs/dbraw/zinc/35/54/48/332355448.db2.gz OQEUBIMRXLSUGN-QGZVFWFLSA-N 2 2 300.446 3.837 20 0 DHADLP C[C@H](C[NH+](C)CCC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000560541494 332355450 /nfs/dbraw/zinc/35/54/50/332355450.db2.gz OQEUBIMRXLSUGN-QGZVFWFLSA-N 2 2 300.446 3.837 20 0 DHADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCCC2)cc1 ZINC000427850859 332539886 /nfs/dbraw/zinc/53/98/86/332539886.db2.gz QKENWKKEAROXSW-MJGOQNOKSA-N 2 2 313.420 3.858 20 0 DHADLP Fc1ccc(Cl)cc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000527297969 332612526 /nfs/dbraw/zinc/61/25/26/332612526.db2.gz PWMUVZYHTWCDRL-UHFFFAOYSA-N 2 2 319.811 3.951 20 0 DHADLP CCCC[N@H+](C)CC1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000178808429 333020952 /nfs/dbraw/zinc/02/09/52/333020952.db2.gz FRQZKGKFNWQGHG-UHFFFAOYSA-N 2 2 314.477 3.522 20 0 DHADLP CCCC[N@@H+](C)CC1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000178808429 333020954 /nfs/dbraw/zinc/02/09/54/333020954.db2.gz FRQZKGKFNWQGHG-UHFFFAOYSA-N 2 2 314.477 3.522 20 0 DHADLP CCCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000314076498 333085913 /nfs/dbraw/zinc/08/59/13/333085913.db2.gz UTHSQWRNXDJBTQ-GOSISDBHSA-N 2 2 304.478 3.830 20 0 DHADLP CCCCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000314076498 333085914 /nfs/dbraw/zinc/08/59/14/333085914.db2.gz UTHSQWRNXDJBTQ-GOSISDBHSA-N 2 2 304.478 3.830 20 0 DHADLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000188029073 333157319 /nfs/dbraw/zinc/15/73/19/333157319.db2.gz JEPICNGUGCTAEN-KGLIPLIRSA-N 2 2 306.416 3.962 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309708420 333191251 /nfs/dbraw/zinc/19/12/51/333191251.db2.gz IKTGESYGVMUIAN-YOEHRIQHSA-N 2 2 315.486 3.624 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000309708420 333191252 /nfs/dbraw/zinc/19/12/52/333191252.db2.gz IKTGESYGVMUIAN-YOEHRIQHSA-N 2 2 315.486 3.624 20 0 DHADLP CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000117395438 333199460 /nfs/dbraw/zinc/19/94/60/333199460.db2.gz CGYVRBOPHLKHOG-RDJZCZTQSA-N 2 2 301.459 3.636 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000582102480 333224795 /nfs/dbraw/zinc/22/47/95/333224795.db2.gz YEQHWNHKQMGIAC-KRWDZBQOSA-N 2 2 318.505 3.659 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCS2 ZINC000119637840 333255756 /nfs/dbraw/zinc/25/57/56/333255756.db2.gz YJHGOVSFUYWCCX-MRXNPFEDSA-N 2 2 306.450 3.579 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000019942961 333269000 /nfs/dbraw/zinc/26/90/00/333269000.db2.gz PGCYTCXUAXSIRJ-ZDUSSCGKSA-N 2 2 313.283 3.832 20 0 DHADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390530536 333292066 /nfs/dbraw/zinc/29/20/66/333292066.db2.gz LTWHIORYDNDYBB-MJGOQNOKSA-N 2 2 310.441 3.911 20 0 DHADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390530536 333292068 /nfs/dbraw/zinc/29/20/68/333292068.db2.gz LTWHIORYDNDYBB-MJGOQNOKSA-N 2 2 310.441 3.911 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000390539202 333293015 /nfs/dbraw/zinc/29/30/15/333293015.db2.gz GYUCBQJLCOMIKR-DZGCQCFKSA-N 2 2 305.372 3.958 20 0 DHADLP COCC[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000502501278 333301075 /nfs/dbraw/zinc/30/10/75/333301075.db2.gz LHGFBGMTACBESK-RTBURBONSA-N 2 2 322.537 3.828 20 0 DHADLP CC(C)COCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120612061 333301100 /nfs/dbraw/zinc/30/11/00/333301100.db2.gz VYZCCKMBTPIOET-MRXNPFEDSA-N 2 2 301.434 3.586 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000390589072 333304153 /nfs/dbraw/zinc/30/41/53/333304153.db2.gz PTJYYYWXHZNXGM-IAGOWNOFSA-N 2 2 312.457 3.866 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000390589072 333304154 /nfs/dbraw/zinc/30/41/54/333304154.db2.gz PTJYYYWXHZNXGM-IAGOWNOFSA-N 2 2 312.457 3.866 20 0 DHADLP CC(C)CC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390672769 333313204 /nfs/dbraw/zinc/31/32/04/333313204.db2.gz SMNSEBZCLVPDDA-QUCCMNQESA-N 2 2 318.505 3.692 20 0 DHADLP CC(C)CC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390672769 333313206 /nfs/dbraw/zinc/31/32/06/333313206.db2.gz SMNSEBZCLVPDDA-QUCCMNQESA-N 2 2 318.505 3.692 20 0 DHADLP Cc1cc(F)ccc1C[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000390678099 333313959 /nfs/dbraw/zinc/31/39/59/333313959.db2.gz WJBFBQGMDQFCKC-MRXNPFEDSA-N 2 2 300.421 3.744 20 0 DHADLP Cc1cc(F)ccc1C[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390678099 333313961 /nfs/dbraw/zinc/31/39/61/333313961.db2.gz WJBFBQGMDQFCKC-MRXNPFEDSA-N 2 2 300.421 3.744 20 0 DHADLP C[NH+](C)[C@H](C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000488454895 333379373 /nfs/dbraw/zinc/37/93/73/333379373.db2.gz JNEMLYWVINWYPM-ZACQAIPSSA-N 2 2 306.519 3.799 20 0 DHADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000186978195 333383108 /nfs/dbraw/zinc/38/31/08/333383108.db2.gz IGEUYTSVVSQLSD-LJQANCHMSA-N 2 2 307.441 3.734 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122089921 333391249 /nfs/dbraw/zinc/39/12/49/333391249.db2.gz BPBYZSJXOMUSSV-RHSMWYFYSA-N 2 2 301.459 3.809 20 0 DHADLP c1cncc(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c2)c1 ZINC000563131646 333395482 /nfs/dbraw/zinc/39/54/82/333395482.db2.gz BFVWMHMYCGWIMZ-NHCUHLMSSA-N 2 2 321.468 3.855 20 0 DHADLP c1cncc(-c2cccc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c2)c1 ZINC000563131646 333395483 /nfs/dbraw/zinc/39/54/83/333395483.db2.gz BFVWMHMYCGWIMZ-NHCUHLMSSA-N 2 2 321.468 3.855 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000390850477 333399507 /nfs/dbraw/zinc/39/95/07/333399507.db2.gz HRBAMFWPMWZSBR-IBGZPJMESA-N 2 2 312.457 3.978 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000390850477 333399509 /nfs/dbraw/zinc/39/95/09/333399509.db2.gz HRBAMFWPMWZSBR-IBGZPJMESA-N 2 2 312.457 3.978 20 0 DHADLP CCC(CC)[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000320782497 335141197 /nfs/dbraw/zinc/14/11/97/335141197.db2.gz GXEPPCJGXJZNDJ-GOSISDBHSA-N 2 2 314.477 3.753 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccncc1F ZINC000338020215 333467760 /nfs/dbraw/zinc/46/77/60/333467760.db2.gz OAFUNSCODUMDSY-HLLBOEOZSA-N 2 2 319.468 3.914 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1Cl ZINC000531684098 333540910 /nfs/dbraw/zinc/54/09/10/333540910.db2.gz ROJHMADYQWWGNR-CYBMUJFWSA-N 2 2 307.825 3.676 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(C)c1 ZINC000414117915 333906214 /nfs/dbraw/zinc/90/62/14/333906214.db2.gz SZZFLOYHWLXSIV-HOTGVXAUSA-N 2 2 313.445 3.737 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414239958 333918387 /nfs/dbraw/zinc/91/83/87/333918387.db2.gz JICUJIOLZWRAKZ-HNNXBMFYSA-N 2 2 313.445 3.728 20 0 DHADLP c1c[nH+]c(C2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)[nH]1 ZINC000266766585 333975776 /nfs/dbraw/zinc/97/57/76/333975776.db2.gz RFBYIZLLZGQZRN-UHFFFAOYSA-N 2 2 314.414 3.506 20 0 DHADLP CC(C)[C@H](C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000366830887 335168928 /nfs/dbraw/zinc/16/89/28/335168928.db2.gz SUQXXANWIUVQGB-IBGZPJMESA-N 2 2 320.440 3.797 20 0 DHADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2OC)cc1 ZINC000414659186 334059006 /nfs/dbraw/zinc/05/90/06/334059006.db2.gz KRANTUJXEDUWAM-SFHVURJKSA-N 2 2 310.441 3.546 20 0 DHADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2OC)cc1 ZINC000414659186 334059007 /nfs/dbraw/zinc/05/90/07/334059007.db2.gz KRANTUJXEDUWAM-SFHVURJKSA-N 2 2 310.441 3.546 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cn1 ZINC000274948807 334067985 /nfs/dbraw/zinc/06/79/85/334067985.db2.gz UUYMZPLBXHFNFO-ZDUSSCGKSA-N 2 2 307.869 3.793 20 0 DHADLP [NH3+]C[C@H]([NH2+]Cc1sccc1Br)C1CCCCC1 ZINC000414841029 334112660 /nfs/dbraw/zinc/11/26/60/334112660.db2.gz MXEIWOORKMQPIY-LBPRGKRZSA-N 2 2 317.296 3.508 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C[C@H](C)CC2CCOCC2)cc1 ZINC000414844208 334113321 /nfs/dbraw/zinc/11/33/21/334113321.db2.gz KOMGYHMEWUOXNA-UZLBHIALSA-N 2 2 318.505 3.852 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C[C@@H](C)CC2CCOCC2)cc1 ZINC000414844202 334113377 /nfs/dbraw/zinc/11/33/77/334113377.db2.gz KOMGYHMEWUOXNA-OXJNMPFZSA-N 2 2 318.505 3.852 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)cs2)cc1 ZINC000414906461 334169822 /nfs/dbraw/zinc/16/98/22/334169822.db2.gz PSZKOEWSHBZKKO-SFHVURJKSA-N 2 2 315.486 3.598 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343595804 335180689 /nfs/dbraw/zinc/18/06/89/335180689.db2.gz AKUNHYHYPLMDJN-UHFFFAOYSA-N 2 2 310.869 3.656 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343595804 335180690 /nfs/dbraw/zinc/18/06/90/335180690.db2.gz AKUNHYHYPLMDJN-UHFFFAOYSA-N 2 2 310.869 3.656 20 0 DHADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414925659 334186678 /nfs/dbraw/zinc/18/66/78/334186678.db2.gz IXIZPAHKVRFBQK-OAHLLOKOSA-N 2 2 307.507 3.669 20 0 DHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000415081791 334272933 /nfs/dbraw/zinc/27/29/33/334272933.db2.gz NLSUCWSFCHEMPG-IINYFYTJSA-N 2 2 321.877 3.784 20 0 DHADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415037938 334260441 /nfs/dbraw/zinc/26/04/41/334260441.db2.gz LNUGUAJKFSLRIO-GFCCVEGCSA-N 2 2 306.759 3.589 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000415048756 334261507 /nfs/dbraw/zinc/26/15/07/334261507.db2.gz XHAOVIYQHYIDPN-LJQANCHMSA-N 2 2 310.441 3.592 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cs2)cc1 ZINC000415056208 334261671 /nfs/dbraw/zinc/26/16/71/334261671.db2.gz PMOIOCZDRWBBKU-OAHLLOKOSA-N 2 2 303.475 3.582 20 0 DHADLP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2CC)cc1F ZINC000415068493 334262703 /nfs/dbraw/zinc/26/27/03/334262703.db2.gz REGKLXKPNPEUPY-GOSISDBHSA-N 2 2 316.420 3.576 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C/C=C\c1ccccc1OC ZINC000415070338 334262789 /nfs/dbraw/zinc/26/27/89/334262789.db2.gz URTHMLHMJAKKAH-POGDKVGISA-N 2 2 310.441 3.560 20 0 DHADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000415077822 334270083 /nfs/dbraw/zinc/27/00/83/334270083.db2.gz FNLUSCIRSSIFQW-GHMZBOCLSA-N 2 2 321.412 3.562 20 0 DHADLP CC[C@@H](C[NH2+][C@H](C)c1cc(C)ccn1)[N@@H+]1CCc2ccccc2C1 ZINC000514093343 334270391 /nfs/dbraw/zinc/27/03/91/334270391.db2.gz JAUOGWRZQTXAMG-XLIONFOSSA-N 2 2 323.484 3.878 20 0 DHADLP CC[C@@H](C[NH2+][C@H](C)c1cc(C)ccn1)[N@H+]1CCc2ccccc2C1 ZINC000514093343 334270393 /nfs/dbraw/zinc/27/03/93/334270393.db2.gz JAUOGWRZQTXAMG-XLIONFOSSA-N 2 2 323.484 3.878 20 0 DHADLP CC(C)c1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc[nH+]1 ZINC000110536129 334282751 /nfs/dbraw/zinc/28/27/51/334282751.db2.gz QZRMPCJPTGAOCY-QGZVFWFLSA-N 2 2 316.493 3.692 20 0 DHADLP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415115364 334283562 /nfs/dbraw/zinc/28/35/62/334283562.db2.gz DPXOUABUKOCISC-UYAOXDASSA-N 2 2 323.484 3.962 20 0 DHADLP FC(F)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000303430865 334319616 /nfs/dbraw/zinc/31/96/16/334319616.db2.gz BUPWILXNSGGFFG-GOSISDBHSA-N 2 2 316.395 3.988 20 0 DHADLP FC(F)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000303430865 334319617 /nfs/dbraw/zinc/31/96/17/334319617.db2.gz BUPWILXNSGGFFG-GOSISDBHSA-N 2 2 316.395 3.988 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000534753186 334336693 /nfs/dbraw/zinc/33/66/93/334336693.db2.gz GNVFJQSJCZFBOL-IAGOWNOFSA-N 2 2 324.921 3.914 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000534753186 334336695 /nfs/dbraw/zinc/33/66/95/334336695.db2.gz GNVFJQSJCZFBOL-IAGOWNOFSA-N 2 2 324.921 3.914 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000534753186 334336696 /nfs/dbraw/zinc/33/66/96/334336696.db2.gz GNVFJQSJCZFBOL-IAGOWNOFSA-N 2 2 324.921 3.914 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000534753186 334336698 /nfs/dbraw/zinc/33/66/98/334336698.db2.gz GNVFJQSJCZFBOL-IAGOWNOFSA-N 2 2 324.921 3.914 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1sccc1Br ZINC000049554370 334350086 /nfs/dbraw/zinc/35/00/86/334350086.db2.gz ZGVJQGDDHJOKDA-UWVGGRQHSA-N 2 2 305.285 3.501 20 0 DHADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000531989841 334365481 /nfs/dbraw/zinc/36/54/81/334365481.db2.gz JANGOYIVASDXTP-VBKZILBWSA-N 2 2 323.415 3.929 20 0 DHADLP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000532041648 334382373 /nfs/dbraw/zinc/38/23/73/334382373.db2.gz ITUBXJKWCFQFFX-PKOBYXMFSA-N 2 2 318.505 3.743 20 0 DHADLP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000532041648 334382374 /nfs/dbraw/zinc/38/23/74/334382374.db2.gz ITUBXJKWCFQFFX-PKOBYXMFSA-N 2 2 318.505 3.743 20 0 DHADLP CC(C)COc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342607387 334558888 /nfs/dbraw/zinc/55/88/88/334558888.db2.gz RTFIHCBMDLRZNQ-UHFFFAOYSA-N 2 2 313.445 3.824 20 0 DHADLP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417360114 334726163 /nfs/dbraw/zinc/72/61/63/334726163.db2.gz XASFEPAHUBMPCA-ZDUSSCGKSA-N 2 2 314.395 3.710 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H]1SC)c1cccc(OC)c1 ZINC000425333390 334802505 /nfs/dbraw/zinc/80/25/05/334802505.db2.gz BZSSHDDFADEHHQ-KZNAEPCWSA-N 2 2 322.518 3.562 20 0 DHADLP CC1CC[NH+]([C@@H](C[NH2+]Cc2cccn2C)c2cccs2)CC1 ZINC000072890005 334884888 /nfs/dbraw/zinc/88/48/88/334884888.db2.gz AEOYWVRPQBIHBE-KRWDZBQOSA-N 2 2 317.502 3.649 20 0 DHADLP COc1ccc(CC(C)(C)[NH2+]Cc2c[nH+]c3c(C)cccn23)cc1 ZINC000189452548 334898742 /nfs/dbraw/zinc/89/87/42/334898742.db2.gz DHYNVOJDBKGVJJ-UHFFFAOYSA-N 2 2 323.440 3.762 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000343845495 335196721 /nfs/dbraw/zinc/19/67/21/335196721.db2.gz VZOUBAMHBHHVPP-WDEREUQCSA-N 2 2 321.412 3.544 20 0 DHADLP CC[N@H+](C)[C@H](C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)c1ccccc1 ZINC000343855559 335197685 /nfs/dbraw/zinc/19/76/85/335197685.db2.gz OBXCROOCLDIFEA-SFHVURJKSA-N 2 2 322.412 3.503 20 0 DHADLP CC[N@@H+](C)[C@H](C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)c1ccccc1 ZINC000343855559 335197687 /nfs/dbraw/zinc/19/76/87/335197687.db2.gz OBXCROOCLDIFEA-SFHVURJKSA-N 2 2 322.412 3.503 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(C)o1 ZINC000344148841 335221766 /nfs/dbraw/zinc/22/17/66/335221766.db2.gz FEFYDFPTHVSYRT-GFCCVEGCSA-N 2 2 301.415 3.994 20 0 DHADLP CC[C@](C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1nccs1 ZINC000344201859 335224881 /nfs/dbraw/zinc/22/48/81/335224881.db2.gz YKCWQNNHDLDEKB-HNNXBMFYSA-N 2 2 318.471 3.805 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000344166154 335226804 /nfs/dbraw/zinc/22/68/04/335226804.db2.gz JTORJQYJGLCUMQ-ZTFGCOKTSA-N 2 2 313.445 3.727 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCc2occc2C1 ZINC000344240519 335231121 /nfs/dbraw/zinc/23/11/21/335231121.db2.gz CPOWVABAMQZYBW-UHFFFAOYSA-N 2 2 307.397 3.722 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCc2occc2C1 ZINC000344240519 335231123 /nfs/dbraw/zinc/23/11/23/335231123.db2.gz CPOWVABAMQZYBW-UHFFFAOYSA-N 2 2 307.397 3.722 20 0 DHADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344316411 335240359 /nfs/dbraw/zinc/24/03/59/335240359.db2.gz ZUYUGIZIOLMCHU-FXAWDEMLSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H]1c1ccccc1)CCC2 ZINC000344780491 335276829 /nfs/dbraw/zinc/27/68/29/335276829.db2.gz YKLJXUVTVMVBMC-FHWLQOOXSA-N 2 2 309.457 3.995 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H](C)CC3)sc2C1 ZINC000346145083 335381379 /nfs/dbraw/zinc/38/13/79/335381379.db2.gz GCRQLHIYWOYVHU-CQSZACIVSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H](C)CC3)sc2C1 ZINC000346145083 335381381 /nfs/dbraw/zinc/38/13/81/335381381.db2.gz GCRQLHIYWOYVHU-CQSZACIVSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H](C)CC3)sc2C1 ZINC000346145083 335381382 /nfs/dbraw/zinc/38/13/82/335381382.db2.gz GCRQLHIYWOYVHU-CQSZACIVSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H](C)CC3)sc2C1 ZINC000346145083 335381384 /nfs/dbraw/zinc/38/13/84/335381384.db2.gz GCRQLHIYWOYVHU-CQSZACIVSA-N 2 2 307.507 3.532 20 0 DHADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(OC(F)F)cc1 ZINC000366945797 335412109 /nfs/dbraw/zinc/41/21/09/335412109.db2.gz QINCPEJJKSSDCP-GFCCVEGCSA-N 2 2 321.371 3.672 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000348122329 335549673 /nfs/dbraw/zinc/54/96/73/335549673.db2.gz UGXNMHQMDATHHU-GOSISDBHSA-N 2 2 314.404 3.965 20 0 DHADLP CCO[C@H](CC[NH2+]CCCc1c[nH+]ccc1C)C1CCCC1 ZINC000348099965 335553370 /nfs/dbraw/zinc/55/33/70/335553370.db2.gz YDMHMTPMPDXPIT-LJQANCHMSA-N 2 2 304.478 3.898 20 0 DHADLP c1cn(Cc2ccc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)cc2)c[nH+]1 ZINC000348236832 335572690 /nfs/dbraw/zinc/57/26/90/335572690.db2.gz BYKWHOVOVYUFEQ-NHCUHLMSSA-N 2 2 317.436 3.825 20 0 DHADLP F[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000348327443 335577664 /nfs/dbraw/zinc/57/76/64/335577664.db2.gz OGOQIXLWCPYXKC-GDBMZVCRSA-N 2 2 310.844 3.785 20 0 DHADLP Cc1ccc([C@H](C[NH2+]Cc2cc(C)c(O)c(C)c2)[NH+](C)C)cc1 ZINC000519854025 335901232 /nfs/dbraw/zinc/90/12/32/335901232.db2.gz UPEFVNJXIBMGTM-IBGZPJMESA-N 2 2 312.457 3.710 20 0 DHADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000532203433 335915701 /nfs/dbraw/zinc/91/57/01/335915701.db2.gz WNAOCRNQFWEJOI-BXWFABGCSA-N 2 2 304.478 3.856 20 0 DHADLP C[N@H+](CCCc1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367116432 336006471 /nfs/dbraw/zinc/00/64/71/336006471.db2.gz CNQRLZMINGMXAE-UHFFFAOYSA-N 2 2 323.484 3.611 20 0 DHADLP C[N@@H+](CCCc1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367116432 336006472 /nfs/dbraw/zinc/00/64/72/336006472.db2.gz CNQRLZMINGMXAE-UHFFFAOYSA-N 2 2 323.484 3.611 20 0 DHADLP CCc1nocc1C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000351728134 336062697 /nfs/dbraw/zinc/06/26/97/336062697.db2.gz AQBKSXLEWUUFRE-MRXNPFEDSA-N 2 2 324.428 3.560 20 0 DHADLP CCc1nocc1C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000351728134 336062699 /nfs/dbraw/zinc/06/26/99/336062699.db2.gz AQBKSXLEWUUFRE-MRXNPFEDSA-N 2 2 324.428 3.560 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c[nH+]1 ZINC000351905838 336122366 /nfs/dbraw/zinc/12/23/66/336122366.db2.gz JKRPNTNQUZCLRA-RBUKOAKNSA-N 2 2 303.409 3.766 20 0 DHADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000352251392 336206983 /nfs/dbraw/zinc/20/69/83/336206983.db2.gz QSCRGNVXSWIZRY-MAUKXSAKSA-N 2 2 313.445 3.673 20 0 DHADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCn1cc[nH+]c1C ZINC000352251392 336206984 /nfs/dbraw/zinc/20/69/84/336206984.db2.gz QSCRGNVXSWIZRY-MAUKXSAKSA-N 2 2 313.445 3.673 20 0 DHADLP Fc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC2CC2)c(Cl)c1 ZINC000352550671 336224252 /nfs/dbraw/zinc/22/42/52/336224252.db2.gz OXUBWTUPXIJTTO-UHFFFAOYSA-N 2 2 321.827 3.978 20 0 DHADLP Fc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC2CC2)c(Cl)c1 ZINC000352550671 336224253 /nfs/dbraw/zinc/22/42/53/336224253.db2.gz OXUBWTUPXIJTTO-UHFFFAOYSA-N 2 2 321.827 3.978 20 0 DHADLP CCc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000352798542 336237966 /nfs/dbraw/zinc/23/79/66/336237966.db2.gz KTTNDFZHZJBEJG-HOTGVXAUSA-N 2 2 321.534 3.792 20 0 DHADLP CCc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000352798542 336237967 /nfs/dbraw/zinc/23/79/67/336237967.db2.gz KTTNDFZHZJBEJG-HOTGVXAUSA-N 2 2 321.534 3.792 20 0 DHADLP CCc1ncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000352798542 336237968 /nfs/dbraw/zinc/23/79/68/336237968.db2.gz KTTNDFZHZJBEJG-HOTGVXAUSA-N 2 2 321.534 3.792 20 0 DHADLP CCc1ncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000352798542 336237969 /nfs/dbraw/zinc/23/79/69/336237969.db2.gz KTTNDFZHZJBEJG-HOTGVXAUSA-N 2 2 321.534 3.792 20 0 DHADLP Cc1cccc(OCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000324638192 336238014 /nfs/dbraw/zinc/23/80/14/336238014.db2.gz WMSLQUHYMZHEND-QGZVFWFLSA-N 2 2 321.424 3.910 20 0 DHADLP CCn1c[nH+]cc1CNc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000417965316 336240275 /nfs/dbraw/zinc/24/02/75/336240275.db2.gz HTGNRCADEKWMCX-UHFFFAOYSA-N 2 2 311.433 3.699 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000532448959 336246664 /nfs/dbraw/zinc/24/66/64/336246664.db2.gz ASHJITCGFZZXMF-GOSISDBHSA-N 2 2 313.445 3.784 20 0 DHADLP c1c[nH+]c(C2CC[NH+](Cc3ccccc3OCC3CC3)CC2)[nH]1 ZINC000352851245 336279598 /nfs/dbraw/zinc/27/95/98/336279598.db2.gz ARMALJKPLUGROC-UHFFFAOYSA-N 2 2 311.429 3.578 20 0 DHADLP Fc1cccc(F)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192924371 336284534 /nfs/dbraw/zinc/28/45/34/336284534.db2.gz HPYFBPJGQQBJJU-INIZCTEOSA-N 2 2 316.395 3.577 20 0 DHADLP Fc1cccc(F)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192924371 336284535 /nfs/dbraw/zinc/28/45/35/336284535.db2.gz HPYFBPJGQQBJJU-INIZCTEOSA-N 2 2 316.395 3.577 20 0 DHADLP CC1CC[NH+](CCC[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000192936731 336285360 /nfs/dbraw/zinc/28/53/60/336285360.db2.gz CQDICYWNCKYBHS-OAQYLSRUSA-N 2 2 323.484 3.883 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000192946034 336285641 /nfs/dbraw/zinc/28/56/41/336285641.db2.gz GTNJVPMXYJSXLM-GFCCVEGCSA-N 2 2 315.367 3.974 20 0 DHADLP C[C@H]1C[NH+](C(C)(C)CNc2cc[nH+]c3ccsc32)C[C@H](C)O1 ZINC000301377489 336303466 /nfs/dbraw/zinc/30/34/66/336303466.db2.gz WTXWSIXFBXLDBT-STQMWFEESA-N 2 2 319.474 3.596 20 0 DHADLP CC1CC[NH+](CCCCNc2cc[nH+]c(C(C)(C)C)n2)CC1 ZINC000301503504 336311028 /nfs/dbraw/zinc/31/10/28/336311028.db2.gz FYSKOKYTYCJFPZ-UHFFFAOYSA-N 2 2 304.482 3.698 20 0 DHADLP C[NH+](C)[C@H](CNc1cc[nH+]cc1Cl)c1c(F)cccc1F ZINC000301507028 336311289 /nfs/dbraw/zinc/31/12/89/336311289.db2.gz JFJCVLQFBLBCGZ-CQSZACIVSA-N 2 2 311.763 3.728 20 0 DHADLP Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc2[nH+]1 ZINC000301664165 336321702 /nfs/dbraw/zinc/32/17/02/336321702.db2.gz ZAPNPTQVDINUGW-AUUYWEPGSA-N 2 2 306.413 3.827 20 0 DHADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000302015134 336343153 /nfs/dbraw/zinc/34/31/53/336343153.db2.gz FILNEWTZDIFCDZ-CQSZACIVSA-N 2 2 324.403 3.585 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000302046748 336345183 /nfs/dbraw/zinc/34/51/83/336345183.db2.gz NJLCBEPFHRKTPT-CVEARBPZSA-N 2 2 312.461 3.654 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000302046748 336345184 /nfs/dbraw/zinc/34/51/84/336345184.db2.gz NJLCBEPFHRKTPT-CVEARBPZSA-N 2 2 312.461 3.654 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302102937 336348553 /nfs/dbraw/zinc/34/85/53/336348553.db2.gz QQKGEEWMWNQTAB-MOPGFXCFSA-N 2 2 322.456 3.521 20 0 DHADLP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000302834467 336371290 /nfs/dbraw/zinc/37/12/90/336371290.db2.gz TYFVSRSCGWDOSD-NVXWUHKLSA-N 2 2 303.356 3.526 20 0 DHADLP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000302834467 336371291 /nfs/dbraw/zinc/37/12/91/336371291.db2.gz TYFVSRSCGWDOSD-NVXWUHKLSA-N 2 2 303.356 3.526 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc(C)c1O ZINC000564005754 336398819 /nfs/dbraw/zinc/39/88/19/336398819.db2.gz QTPQLBAJTRPRIA-PXNSSMCTSA-N 2 2 324.468 3.934 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc(C)c1O ZINC000564005754 336398820 /nfs/dbraw/zinc/39/88/20/336398820.db2.gz QTPQLBAJTRPRIA-PXNSSMCTSA-N 2 2 324.468 3.934 20 0 DHADLP C[C@H]([NH2+]C(C)(C)CNc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000112555742 336399593 /nfs/dbraw/zinc/39/95/93/336399593.db2.gz GIPZKRZNYSYVQG-AWEZNQCLSA-N 2 2 310.445 3.895 20 0 DHADLP Cc1ccc(CCC[NH2+]CCCOc2ccc(F)cc2)c[nH+]1 ZINC000354192794 336463024 /nfs/dbraw/zinc/46/30/24/336463024.db2.gz TYLVHWAEKYDFMM-UHFFFAOYSA-N 2 2 302.393 3.520 20 0 DHADLP C[C@@H](CC[NH+]1CCC(n2cc[nH+]c2)CC1)OCc1ccccc1 ZINC000354831547 336483939 /nfs/dbraw/zinc/48/39/39/336483939.db2.gz GPDISHKGJHZFNH-KRWDZBQOSA-N 2 2 313.445 3.515 20 0 DHADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000469855335 339302681 /nfs/dbraw/zinc/30/26/81/339302681.db2.gz PCKBYSXVPNNOHS-MWLCHTKSSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000469855335 339302682 /nfs/dbraw/zinc/30/26/82/339302682.db2.gz PCKBYSXVPNNOHS-MWLCHTKSSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1nc2c(s1)CCCC2 ZINC000357801860 336599399 /nfs/dbraw/zinc/59/93/99/336599399.db2.gz XRYOJLHYPZGZMB-CYBMUJFWSA-N 2 2 319.518 3.689 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@@H]3CSc4ccccc43)cc2)c[nH+]1 ZINC000358144422 336613095 /nfs/dbraw/zinc/61/30/95/336613095.db2.gz WKHOVZKVMQBELF-QGZVFWFLSA-N 2 2 307.422 3.809 20 0 DHADLP c1ccc([C@@H](C[NH2+]C2CC(c3ccccn3)C2)[NH+]2CCCC2)cc1 ZINC000367319251 336639759 /nfs/dbraw/zinc/63/97/59/336639759.db2.gz UJFMYWPVRIFEBA-GZNCHQMQSA-N 2 2 321.468 3.754 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)c2cccc(Br)c21 ZINC000359518213 336675824 /nfs/dbraw/zinc/67/58/24/336675824.db2.gz XSVCFVJGABKREH-SWLSCSKDSA-N 2 2 323.278 3.683 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)CCC2 ZINC000359953365 336695221 /nfs/dbraw/zinc/69/52/21/336695221.db2.gz WFFHGCUCUXLQMS-GXTWGEPZSA-N 2 2 305.372 3.698 20 0 DHADLP COc1cccc2c(NCc3ccc(N(C)C)[nH+]c3)cc(C)[nH+]c12 ZINC000360676793 336718656 /nfs/dbraw/zinc/71/86/56/336718656.db2.gz QYZOPPYUUYCHGF-UHFFFAOYSA-N 2 2 322.412 3.625 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccccc1F ZINC000361050182 336735074 /nfs/dbraw/zinc/73/50/74/336735074.db2.gz GDNRZHRUQNXHTL-YOEHRIQHSA-N 2 2 301.409 3.949 20 0 DHADLP C[C@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000361485443 336758962 /nfs/dbraw/zinc/75/89/62/336758962.db2.gz NLPNTFGCXCQMTH-PKOBYXMFSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1CCC[C@H](CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000361496273 336759541 /nfs/dbraw/zinc/75/95/41/336759541.db2.gz KGMXLUGFIZRWON-QZTJIDSGSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc3c(s1)CCC3)CCC2 ZINC000361662227 336767696 /nfs/dbraw/zinc/76/76/96/336767696.db2.gz PNPWKRWXNDKSAH-DZGCQCFKSA-N 2 2 315.486 3.970 20 0 DHADLP Cc1cc[nH+]cc1CCCN1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000368024733 336835307 /nfs/dbraw/zinc/83/53/07/336835307.db2.gz UTHIHYZIIUGRHQ-HXUWFJFHSA-N 2 2 315.505 3.663 20 0 DHADLP CC(C)[NH2+]C1CC[NH+]([C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000368576583 336848254 /nfs/dbraw/zinc/84/82/54/336848254.db2.gz KDLMTMNPORLGTM-QGZVFWFLSA-N 2 2 320.452 3.890 20 0 DHADLP CC(C)c1cc(N2CCC[C@@H]([NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000369365511 336863493 /nfs/dbraw/zinc/86/34/93/336863493.db2.gz CFTKZTUYUZEWQF-OAHLLOKOSA-N 2 2 304.482 3.644 20 0 DHADLP C[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000370277487 336881583 /nfs/dbraw/zinc/88/15/83/336881583.db2.gz VUKQVJBAWBFBFC-MNEFBYGVSA-N 2 2 318.424 3.549 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)CCC2 ZINC000372595969 336935312 /nfs/dbraw/zinc/93/53/12/336935312.db2.gz RIOPTUZOYRSVOM-CYBMUJFWSA-N 2 2 307.800 3.651 20 0 DHADLP Cc1cc(NCc2ccc[nH+]c2N(C)C)c2cc(F)ccc2[nH+]1 ZINC000121304451 336944355 /nfs/dbraw/zinc/94/43/55/336944355.db2.gz HCTXCSNNGBFHMA-UHFFFAOYSA-N 2 2 310.376 3.755 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(C)(C)C ZINC000373521606 336963492 /nfs/dbraw/zinc/96/34/92/336963492.db2.gz PACWCVMAVADKJG-XGNXJENSSA-N 2 2 306.416 3.816 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C(C3CC3)C3CC3)C2)CC1 ZINC000373524128 336963740 /nfs/dbraw/zinc/96/37/40/336963740.db2.gz XODLZJKKWHPTQS-UHFFFAOYSA-N 2 2 316.411 3.570 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000582442827 337000320 /nfs/dbraw/zinc/00/03/20/337000320.db2.gz NRUMRCWTITWRIT-RCBBPTIPSA-N 2 2 324.390 3.935 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000582442827 337000321 /nfs/dbraw/zinc/00/03/21/337000321.db2.gz NRUMRCWTITWRIT-RCBBPTIPSA-N 2 2 324.390 3.935 20 0 DHADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000375062633 337002369 /nfs/dbraw/zinc/00/23/69/337002369.db2.gz UREBMONUPCDRES-CAMMJAKZSA-N 2 2 320.525 3.607 20 0 DHADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000375062633 337002370 /nfs/dbraw/zinc/00/23/70/337002370.db2.gz UREBMONUPCDRES-CAMMJAKZSA-N 2 2 320.525 3.607 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000375231342 337006213 /nfs/dbraw/zinc/00/62/13/337006213.db2.gz ZCTIAIAIDXVXPR-UHFFFAOYSA-N 2 2 317.383 3.649 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000375231342 337006214 /nfs/dbraw/zinc/00/62/14/337006214.db2.gz ZCTIAIAIDXVXPR-UHFFFAOYSA-N 2 2 317.383 3.649 20 0 DHADLP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000375265785 337006768 /nfs/dbraw/zinc/00/67/68/337006768.db2.gz CCXOIJZZUQAARM-ZWKOTPCHSA-N 2 2 313.420 3.784 20 0 DHADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000376535480 337036062 /nfs/dbraw/zinc/03/60/62/337036062.db2.gz VQFPSZYTHHIXOR-LBDPXKHJSA-N 2 2 318.427 3.914 20 0 DHADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000376535480 337036063 /nfs/dbraw/zinc/03/60/63/337036063.db2.gz VQFPSZYTHHIXOR-LBDPXKHJSA-N 2 2 318.427 3.914 20 0 DHADLP CCc1nc2c(s1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCC2 ZINC000376597069 337037625 /nfs/dbraw/zinc/03/76/25/337037625.db2.gz YKQIKYNFSOLJLN-NRXISQOPSA-N 2 2 319.518 3.689 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000377012820 337045210 /nfs/dbraw/zinc/04/52/10/337045210.db2.gz LPMJKOTUSZPDTI-HOTGVXAUSA-N 2 2 319.518 3.560 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000377173107 337048053 /nfs/dbraw/zinc/04/80/53/337048053.db2.gz BKBHIACIVCCZEA-MJGOQNOKSA-N 2 2 309.457 3.644 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000377173107 337048054 /nfs/dbraw/zinc/04/80/54/337048054.db2.gz BKBHIACIVCCZEA-MJGOQNOKSA-N 2 2 309.457 3.644 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)CC[N@@H+]1C ZINC000123488911 337048722 /nfs/dbraw/zinc/04/87/22/337048722.db2.gz CDPMHZKYZYRWDH-ZFWWWQNUSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)CC[N@H+]1C ZINC000123488911 337048723 /nfs/dbraw/zinc/04/87/23/337048723.db2.gz CDPMHZKYZYRWDH-ZFWWWQNUSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2c(Cl)ccc3cccnc32)CC[NH+]1C ZINC000123488911 337048724 /nfs/dbraw/zinc/04/87/24/337048724.db2.gz CDPMHZKYZYRWDH-ZFWWWQNUSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2c(Cl)ccc3cccnc32)CC[NH+]1C ZINC000123488911 337048725 /nfs/dbraw/zinc/04/87/25/337048725.db2.gz CDPMHZKYZYRWDH-ZFWWWQNUSA-N 2 2 317.864 3.803 20 0 DHADLP COc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c2ccccc12 ZINC000377230933 337048918 /nfs/dbraw/zinc/04/89/18/337048918.db2.gz HAKOXEKRJKXBSL-UHFFFAOYSA-N 2 2 321.424 3.951 20 0 DHADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377257606 337049652 /nfs/dbraw/zinc/04/96/52/337049652.db2.gz PBPHFQRWKKKATD-WDSOQIARSA-N 2 2 303.494 3.879 20 0 DHADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377257606 337049653 /nfs/dbraw/zinc/04/96/53/337049653.db2.gz PBPHFQRWKKKATD-WDSOQIARSA-N 2 2 303.494 3.879 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]C1c3ccccc3-c3ccccc31)C2 ZINC000377342691 337050762 /nfs/dbraw/zinc/05/07/62/337050762.db2.gz BEDQWYBHDVLTBF-OAHLLOKOSA-N 2 2 315.420 3.866 20 0 DHADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000377373811 337051269 /nfs/dbraw/zinc/05/12/69/337051269.db2.gz USPRWYMFFKNNRI-MJGOQNOKSA-N 2 2 320.521 3.817 20 0 DHADLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000377373811 337051270 /nfs/dbraw/zinc/05/12/70/337051270.db2.gz USPRWYMFFKNNRI-MJGOQNOKSA-N 2 2 320.521 3.817 20 0 DHADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000377373810 337051278 /nfs/dbraw/zinc/05/12/78/337051278.db2.gz USPRWYMFFKNNRI-IEBWSBKVSA-N 2 2 320.521 3.817 20 0 DHADLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000377373810 337051279 /nfs/dbraw/zinc/05/12/79/337051279.db2.gz USPRWYMFFKNNRI-IEBWSBKVSA-N 2 2 320.521 3.817 20 0 DHADLP c1ccc(C[N@@H+]2C[C@@H]([NH2+]C3CCSCC3)C[C@@H]2C2CC2)cc1 ZINC000377405061 337052051 /nfs/dbraw/zinc/05/20/51/337052051.db2.gz XASAUGVXDKNPJX-RBUKOAKNSA-N 2 2 316.514 3.525 20 0 DHADLP c1ccc(C[N@H+]2C[C@@H]([NH2+]C3CCSCC3)C[C@@H]2C2CC2)cc1 ZINC000377405061 337052052 /nfs/dbraw/zinc/05/20/52/337052052.db2.gz XASAUGVXDKNPJX-RBUKOAKNSA-N 2 2 316.514 3.525 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(O)(c2ccccc2C)CC1 ZINC000377541259 337054631 /nfs/dbraw/zinc/05/46/31/337054631.db2.gz LKLLTTUCIXEZJU-UHFFFAOYSA-N 2 2 324.468 3.615 20 0 DHADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377640856 337057210 /nfs/dbraw/zinc/05/72/10/337057210.db2.gz BSGZJBVDXBBFLK-MJGOQNOKSA-N 2 2 303.494 3.565 20 0 DHADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377640856 337057211 /nfs/dbraw/zinc/05/72/11/337057211.db2.gz BSGZJBVDXBBFLK-MJGOQNOKSA-N 2 2 303.494 3.565 20 0 DHADLP CSc1ccc([C@@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000377903590 337063658 /nfs/dbraw/zinc/06/36/58/337063658.db2.gz FVRUMPDYDSCMLU-TZMCWYRMSA-N 2 2 319.449 3.832 20 0 DHADLP CSc1ccc([C@@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000377903590 337063659 /nfs/dbraw/zinc/06/36/59/337063659.db2.gz FVRUMPDYDSCMLU-TZMCWYRMSA-N 2 2 319.449 3.832 20 0 DHADLP CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000378147075 337067126 /nfs/dbraw/zinc/06/71/26/337067126.db2.gz HQERHUIBAMATEK-CUDHKJQZSA-N 2 2 315.505 3.850 20 0 DHADLP CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000378147075 337067127 /nfs/dbraw/zinc/06/71/27/337067127.db2.gz HQERHUIBAMATEK-CUDHKJQZSA-N 2 2 315.505 3.850 20 0 DHADLP CCC[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000378164781 337067506 /nfs/dbraw/zinc/06/75/06/337067506.db2.gz UKUQXJZNSNTYQC-SFHVURJKSA-N 2 2 306.413 3.898 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCc1cccc(C)c1)CCC2 ZINC000378184859 337067854 /nfs/dbraw/zinc/06/78/54/337067854.db2.gz QEBYGMGMXKVLMJ-LPHOPBHVSA-N 2 2 311.473 3.988 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)CC(C)C)[C@H](C)C2)s1 ZINC000378184281 337067933 /nfs/dbraw/zinc/06/79/33/337067933.db2.gz SRUYTZPXRKFOJK-KEYYUXOJSA-N 2 2 309.523 3.686 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)CC(C)C)[C@H](C)C2)s1 ZINC000378184281 337067934 /nfs/dbraw/zinc/06/79/34/337067934.db2.gz SRUYTZPXRKFOJK-KEYYUXOJSA-N 2 2 309.523 3.686 20 0 DHADLP CCC(CC)C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000378245314 337068675 /nfs/dbraw/zinc/06/86/75/337068675.db2.gz SNXXFZAVWSFEDX-DYVFJYSZSA-N 2 2 309.523 3.688 20 0 DHADLP CCC(CC)C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000378245314 337068676 /nfs/dbraw/zinc/06/86/76/337068676.db2.gz SNXXFZAVWSFEDX-DYVFJYSZSA-N 2 2 309.523 3.688 20 0 DHADLP Cc1ccc(CC[N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000378382437 337071274 /nfs/dbraw/zinc/07/12/74/337071274.db2.gz GOGOBYANFBRHJC-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP Cc1ccc(CC[N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000378382437 337071275 /nfs/dbraw/zinc/07/12/75/337071275.db2.gz GOGOBYANFBRHJC-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000360042019 337084394 /nfs/dbraw/zinc/08/43/94/337084394.db2.gz SXLRAWRGNKJJQQ-DZGCQCFKSA-N 2 2 300.368 3.754 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000360042019 337084395 /nfs/dbraw/zinc/08/43/95/337084395.db2.gz SXLRAWRGNKJJQQ-DZGCQCFKSA-N 2 2 300.368 3.754 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3nc(C)sc31)CCC2 ZINC000360080605 337085053 /nfs/dbraw/zinc/08/50/53/337085053.db2.gz ZSOASVCLNFHHIA-UONOGXRCSA-N 2 2 316.474 3.501 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000582752665 337133908 /nfs/dbraw/zinc/13/39/08/337133908.db2.gz ZELJJXBLOUZCLK-NRFANRHFSA-N 2 2 323.484 3.923 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000582752665 337133909 /nfs/dbraw/zinc/13/39/09/337133909.db2.gz ZELJJXBLOUZCLK-NRFANRHFSA-N 2 2 323.484 3.923 20 0 DHADLP c1cn2c(cccc2C[NH2+]CCCc2c[nH]c3ccccc23)[nH+]1 ZINC000179424674 337169360 /nfs/dbraw/zinc/16/93/60/337169360.db2.gz ZFQZUSKUHNILHQ-UHFFFAOYSA-N 2 2 304.397 3.538 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181117903 337180117 /nfs/dbraw/zinc/18/01/17/337180117.db2.gz JYJCAYQPLGADDY-CVEARBPZSA-N 2 2 313.445 3.839 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181117903 337180118 /nfs/dbraw/zinc/18/01/18/337180118.db2.gz JYJCAYQPLGADDY-CVEARBPZSA-N 2 2 313.445 3.839 20 0 DHADLP CSC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000429285874 337184262 /nfs/dbraw/zinc/18/42/62/337184262.db2.gz PKKGBIORLHSQRR-INIZCTEOSA-N 2 2 315.486 3.756 20 0 DHADLP CSC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000429285874 337184263 /nfs/dbraw/zinc/18/42/63/337184263.db2.gz PKKGBIORLHSQRR-INIZCTEOSA-N 2 2 315.486 3.756 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000182089116 337184402 /nfs/dbraw/zinc/18/44/02/337184402.db2.gz KPSVXIRKXGOIDI-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000182089116 337184403 /nfs/dbraw/zinc/18/44/03/337184403.db2.gz KPSVXIRKXGOIDI-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cc1cc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC000182816971 337188444 /nfs/dbraw/zinc/18/84/44/337188444.db2.gz MBAABAFTHYZQMH-HOCLYGCPSA-N 2 2 314.477 3.727 20 0 DHADLP Cc1cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC000182816971 337188445 /nfs/dbraw/zinc/18/84/45/337188445.db2.gz MBAABAFTHYZQMH-HOCLYGCPSA-N 2 2 314.477 3.727 20 0 DHADLP C[C@H](c1ccsc1)[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000185485211 337205691 /nfs/dbraw/zinc/20/56/91/337205691.db2.gz GNTJAQQLOAJXOV-CYBMUJFWSA-N 2 2 312.442 3.508 20 0 DHADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC000187039760 337261324 /nfs/dbraw/zinc/26/13/24/337261324.db2.gz NVPBRCMJWVUHFX-PKOBYXMFSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC000187039760 337261325 /nfs/dbraw/zinc/26/13/25/337261325.db2.gz NVPBRCMJWVUHFX-PKOBYXMFSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC000187039760 337261326 /nfs/dbraw/zinc/26/13/26/337261326.db2.gz NVPBRCMJWVUHFX-PKOBYXMFSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC000187039760 337261327 /nfs/dbraw/zinc/26/13/27/337261327.db2.gz NVPBRCMJWVUHFX-PKOBYXMFSA-N 2 2 315.505 3.785 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCSCC1 ZINC000187059314 337261514 /nfs/dbraw/zinc/26/15/14/337261514.db2.gz QAFAMVIRWVFSQT-ZDUSSCGKSA-N 2 2 319.449 3.633 20 0 DHADLP COC1(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCCCC1 ZINC000187441758 337266065 /nfs/dbraw/zinc/26/60/65/337266065.db2.gz HBBJFLUPYDUXCH-UHFFFAOYSA-N 2 2 313.445 3.620 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2nccnc2C)cc1 ZINC000188126657 337270911 /nfs/dbraw/zinc/27/09/11/337270911.db2.gz XJHYFAPAGCGIPR-DZGCQCFKSA-N 2 2 321.428 3.691 20 0 DHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(Cl)c3Cl)C2)C1 ZINC000583251492 337288487 /nfs/dbraw/zinc/28/84/87/337288487.db2.gz IHGNXSYYPLZDFO-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(Cl)c3Cl)C2)C1 ZINC000583251492 337288488 /nfs/dbraw/zinc/28/84/88/337288488.db2.gz IHGNXSYYPLZDFO-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(Cl)c3Cl)C2)C1 ZINC000583251492 337288489 /nfs/dbraw/zinc/28/84/89/337288489.db2.gz IHGNXSYYPLZDFO-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)C1 ZINC000583251492 337288490 /nfs/dbraw/zinc/28/84/90/337288490.db2.gz IHGNXSYYPLZDFO-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP CCN(C)c1ccc(CNc2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC000190814943 337290084 /nfs/dbraw/zinc/29/00/84/337290084.db2.gz HKJKOGDFEPYQFS-UHFFFAOYSA-N 2 2 324.472 3.746 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000192080204 337302422 /nfs/dbraw/zinc/30/24/22/337302422.db2.gz JUEAURMPFBCDDR-HXUWFJFHSA-N 2 2 320.440 3.856 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000192080204 337302423 /nfs/dbraw/zinc/30/24/23/337302423.db2.gz JUEAURMPFBCDDR-HXUWFJFHSA-N 2 2 320.440 3.856 20 0 DHADLP Fc1cc(C[NH2+][C@H]2CCCc3occc32)ccc1-n1cc[nH+]c1 ZINC000192946889 337308664 /nfs/dbraw/zinc/30/86/64/337308664.db2.gz FTXGECONELFUSX-INIZCTEOSA-N 2 2 311.360 3.772 20 0 DHADLP CC1(C)[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC000122899613 337397467 /nfs/dbraw/zinc/39/74/67/337397467.db2.gz NGYKXBLMYHDNFK-OALUTQOASA-N 2 2 323.484 3.934 20 0 DHADLP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000122899793 337397469 /nfs/dbraw/zinc/39/74/69/337397469.db2.gz NGYKXBLMYHDNFK-MOPGFXCFSA-N 2 2 323.484 3.934 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000527106062 337470391 /nfs/dbraw/zinc/47/03/91/337470391.db2.gz ZHENYJWTCOAYIK-AWEZNQCLSA-N 2 2 311.404 3.877 20 0 DHADLP COC1([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCCCC1 ZINC000421826336 337646453 /nfs/dbraw/zinc/64/64/53/337646453.db2.gz RXLREDZMEWTYLZ-HNNXBMFYSA-N 2 2 315.461 3.823 20 0 DHADLP Cc1sc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])nc1C(C)C ZINC000422719554 337684174 /nfs/dbraw/zinc/68/41/74/337684174.db2.gz YRIMSGBMASRXNL-XJKSGUPXSA-N 2 2 317.502 3.623 20 0 DHADLP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000422739590 337684618 /nfs/dbraw/zinc/68/46/18/337684618.db2.gz ADTBAAXEBWWEKS-DLBZAZTESA-N 3 2 323.550 3.628 20 0 DHADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422783124 337686335 /nfs/dbraw/zinc/68/63/35/337686335.db2.gz HBXRMVHBRGKPLA-KNXALSJPSA-N 2 2 300.377 3.630 20 0 DHADLP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000422743001 337686701 /nfs/dbraw/zinc/68/67/01/337686701.db2.gz SSCODFHTILUPKR-AZUAARDMSA-N 3 2 317.521 3.567 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)oc21 ZINC000422795032 337687066 /nfs/dbraw/zinc/68/70/66/337687066.db2.gz ZLVVDBYFZLEUJY-KCQAQPDRSA-N 2 2 302.418 3.623 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(COCc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422853718 337689031 /nfs/dbraw/zinc/68/90/31/337689031.db2.gz CDRGQSWIWMMUND-UWJYYQICSA-N 2 2 324.468 3.634 20 0 DHADLP CC(C)(C)[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422927084 337691867 /nfs/dbraw/zinc/69/18/67/337691867.db2.gz YFTUPVZFGYSGEJ-KBPBESRZSA-N 2 2 300.368 3.744 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2COc3ccc(Cl)cc32)c2ccccc21 ZINC000422930316 337692138 /nfs/dbraw/zinc/69/21/38/337692138.db2.gz SVNICGOETLPHNQ-OWCLPIDISA-N 2 2 300.789 3.508 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422941915 337692686 /nfs/dbraw/zinc/69/26/86/337692686.db2.gz VZMASIYOVINNPE-XEZPLFJOSA-N 2 2 315.486 3.910 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc3c2OCC3)c2ccccc21 ZINC000423030575 337696427 /nfs/dbraw/zinc/69/64/27/337696427.db2.gz BWEYWDYAYPUOOC-SJORKVTESA-N 2 2 314.816 3.509 20 0 DHADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423091482 337698893 /nfs/dbraw/zinc/69/88/93/337698893.db2.gz XEIOYJAUSQNRFX-SNPRPXQTSA-N 2 2 300.368 3.719 20 0 DHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423116848 337700303 /nfs/dbraw/zinc/70/03/03/337700303.db2.gz RTKCSGFGIAOQOX-BZSNNMDCSA-N 2 2 312.388 3.556 20 0 DHADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423133255 337701079 /nfs/dbraw/zinc/70/10/79/337701079.db2.gz PYLDAHXDEZNNFW-WOSRLPQWSA-N 2 2 324.415 3.689 20 0 DHADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423237454 337706419 /nfs/dbraw/zinc/70/64/19/337706419.db2.gz DISAMYKMJPVCEC-CQSZACIVSA-N 2 2 319.449 3.526 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(SCC(F)(F)F)cc1 ZINC000423246619 337707214 /nfs/dbraw/zinc/70/72/14/337707214.db2.gz ZNLYNIYCONBNHT-DGCLKSJQSA-N 2 2 318.408 3.744 20 0 DHADLP Cc1nc2c(s1)[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)CCC2 ZINC000423278715 337709020 /nfs/dbraw/zinc/70/90/20/337709020.db2.gz QKUDVKVKUJWPFM-HNNXBMFYSA-N 2 2 307.507 3.731 20 0 DHADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1OCc1ccccc1 ZINC000423283026 337709305 /nfs/dbraw/zinc/70/93/05/337709305.db2.gz VQTZESGFAWIVOF-KXBFYZLASA-N 2 2 310.441 3.654 20 0 DHADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000423282174 337709411 /nfs/dbraw/zinc/70/94/11/337709411.db2.gz CEVYMIFISOLDHQ-LLVKDONJSA-N 2 2 314.857 3.525 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000423299207 337711209 /nfs/dbraw/zinc/71/12/09/337711209.db2.gz PSMDWVIUADQWSK-NWDGAFQWSA-N 2 2 314.857 3.525 20 0 DHADLP CCc1ccc([C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2Cl)cc1 ZINC000423304882 337711299 /nfs/dbraw/zinc/71/12/99/337711299.db2.gz PNGSHHFJTKGFLT-IBGZPJMESA-N 2 2 314.860 3.801 20 0 DHADLP [NH3+][C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)C1CC1 ZINC000423313830 337711489 /nfs/dbraw/zinc/71/14/89/337711489.db2.gz GCLUNJGUBYHRHF-ZWKOTPCHSA-N 2 2 300.833 3.756 20 0 DHADLP COCCC[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(F)cc1 ZINC000423389971 337718211 /nfs/dbraw/zinc/71/82/11/337718211.db2.gz NXNYDNQSIGUBKU-MSOLQXFVSA-N 2 2 322.468 3.661 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c2ccccc2Cl)cc1 ZINC000423437632 337719155 /nfs/dbraw/zinc/71/91/55/337719155.db2.gz GJGOKEITJSRBMK-VFVRVIDISA-N 2 2 318.848 3.763 20 0 DHADLP C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000527692842 337760291 /nfs/dbraw/zinc/76/02/91/337760291.db2.gz PKJWXWWWHQNSJW-MGPUTAFESA-N 2 2 307.441 3.949 20 0 DHADLP Clc1ccc(C[NH+]2CCC([NH2+]CC3CC=CC3)CC2)cc1 ZINC000527743685 337760794 /nfs/dbraw/zinc/76/07/94/337760794.db2.gz HVFHDBGYLWOLDD-UHFFFAOYSA-N 2 2 304.865 3.860 20 0 DHADLP CC(C)OC1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000527748933 337761219 /nfs/dbraw/zinc/76/12/19/337761219.db2.gz GUYHWILMMYBIKL-UHFFFAOYSA-N 2 2 319.474 3.760 20 0 DHADLP CC[C@H](CCc1ccccc1)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000527848294 337768825 /nfs/dbraw/zinc/76/88/25/337768825.db2.gz KXBFWIVQRAMSDA-LJQANCHMSA-N 2 2 320.440 3.768 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ncccc1F ZINC000528036297 337782553 /nfs/dbraw/zinc/78/25/53/337782553.db2.gz PATZZOFQRVRFPD-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000424368880 337827479 /nfs/dbraw/zinc/82/74/79/337827479.db2.gz ASFCIHAUIKVWGC-JKEDJMADSA-N 2 2 302.437 3.524 20 0 DHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@H]1C1CC1)C2 ZINC000537000560 337861363 /nfs/dbraw/zinc/86/13/63/337861363.db2.gz IZSJMMAJWKEZNB-JYJNAYRXSA-N 2 2 301.478 3.664 20 0 DHADLP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000445456320 338017480 /nfs/dbraw/zinc/01/74/80/338017480.db2.gz IMTOZSVLWNVXEP-IRXDYDNUSA-N 2 2 323.484 3.925 20 0 DHADLP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000445456320 338017481 /nfs/dbraw/zinc/01/74/81/338017481.db2.gz IMTOZSVLWNVXEP-IRXDYDNUSA-N 2 2 323.484 3.925 20 0 DHADLP CCCc1csc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000426422612 338031882 /nfs/dbraw/zinc/03/18/82/338031882.db2.gz VSFTYBAKAIREOP-PBHICJAKSA-N 2 2 319.518 3.544 20 0 DHADLP CCCc1csc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000426422612 338031883 /nfs/dbraw/zinc/03/18/83/338031883.db2.gz VSFTYBAKAIREOP-PBHICJAKSA-N 2 2 319.518 3.544 20 0 DHADLP CCCc1csc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000426422612 338031884 /nfs/dbraw/zinc/03/18/84/338031884.db2.gz VSFTYBAKAIREOP-PBHICJAKSA-N 2 2 319.518 3.544 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428328021 338047544 /nfs/dbraw/zinc/04/75/44/338047544.db2.gz WRMDVRWGAPHNOR-GDBMZVCRSA-N 2 2 319.493 3.849 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000428328021 338047545 /nfs/dbraw/zinc/04/75/45/338047545.db2.gz WRMDVRWGAPHNOR-GDBMZVCRSA-N 2 2 319.493 3.849 20 0 DHADLP CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)o1 ZINC000428443325 338051735 /nfs/dbraw/zinc/05/17/35/338051735.db2.gz YGJFVTGTWZCWAL-HZPDHXFCSA-N 2 2 307.482 3.536 20 0 DHADLP Fc1ccc2nc(C[NH2+]C3CC[NH+](C4CCC4)CC3)sc2c1 ZINC000428868366 338063476 /nfs/dbraw/zinc/06/34/76/338063476.db2.gz VUDJYKWEIARVKO-UHFFFAOYSA-N 2 2 319.449 3.542 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000429432017 338080763 /nfs/dbraw/zinc/08/07/63/338080763.db2.gz CWSAJQKROLUSNB-LNLFQRSKSA-N 2 2 316.489 3.587 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000429432017 338080764 /nfs/dbraw/zinc/08/07/64/338080764.db2.gz CWSAJQKROLUSNB-LNLFQRSKSA-N 2 2 316.489 3.587 20 0 DHADLP COC1(C[C@@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)CCC1 ZINC000429515813 338082737 /nfs/dbraw/zinc/08/27/37/338082737.db2.gz KNOLZYNHTYBLEE-AEFFLSMTSA-N 2 2 304.478 3.535 20 0 DHADLP Clc1ccc(SCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000430566415 338108824 /nfs/dbraw/zinc/10/88/24/338108824.db2.gz SFRIHWIORFXLDB-UHFFFAOYSA-N 2 2 324.921 3.896 20 0 DHADLP Cc1c(Cl)c(C[NH2+][C@](C)(C[NH3+])C(C)C)nc2ccccc12 ZINC000430567846 338108850 /nfs/dbraw/zinc/10/88/50/338108850.db2.gz GKUAGEQXJAWSER-QGZVFWFLSA-N 2 2 305.853 3.660 20 0 DHADLP CCCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)c1ccccc1 ZINC000431085756 338122028 /nfs/dbraw/zinc/12/20/28/338122028.db2.gz LAUROHHKVROHFO-AWEZNQCLSA-N 2 2 316.449 3.627 20 0 DHADLP CCCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)c1ccccc1 ZINC000431085756 338122029 /nfs/dbraw/zinc/12/20/29/338122029.db2.gz LAUROHHKVROHFO-AWEZNQCLSA-N 2 2 316.449 3.627 20 0 DHADLP Clc1scc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000432235333 338149674 /nfs/dbraw/zinc/14/96/74/338149674.db2.gz ZUOCCDXUOXGSDW-VIFPVBQESA-N 2 2 305.274 3.629 20 0 DHADLP Clc1scc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000432235333 338149675 /nfs/dbraw/zinc/14/96/75/338149675.db2.gz ZUOCCDXUOXGSDW-VIFPVBQESA-N 2 2 305.274 3.629 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1Cl)Cn1cc[nH+]c1 ZINC000432239790 338149930 /nfs/dbraw/zinc/14/99/30/338149930.db2.gz GQAAZAIGDICJMT-SNVBAGLBSA-N 2 2 316.207 3.755 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3s2)[C@@H](C)C1 ZINC000432753574 338166426 /nfs/dbraw/zinc/16/64/26/338166426.db2.gz VGYCATMMDSQIEV-SWLSCSKDSA-N 2 2 321.465 3.598 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3s2)[C@@H](C)C1 ZINC000432753574 338166427 /nfs/dbraw/zinc/16/64/27/338166427.db2.gz VGYCATMMDSQIEV-SWLSCSKDSA-N 2 2 321.465 3.598 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(F)cc3s2)[C@@H](C)C1 ZINC000432753574 338166428 /nfs/dbraw/zinc/16/64/28/338166428.db2.gz VGYCATMMDSQIEV-SWLSCSKDSA-N 2 2 321.465 3.598 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(F)cc3s2)[C@@H](C)C1 ZINC000432753574 338166429 /nfs/dbraw/zinc/16/64/29/338166429.db2.gz VGYCATMMDSQIEV-SWLSCSKDSA-N 2 2 321.465 3.598 20 0 DHADLP Cc1nc2[nH]ccc2c(NCC[C@H](C)[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000433782112 338201681 /nfs/dbraw/zinc/20/16/81/338201681.db2.gz YXORHKVCMMBMKR-AWEZNQCLSA-N 2 2 323.444 3.540 20 0 DHADLP Cc1nc2[nH]ccc2c(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000433782112 338201682 /nfs/dbraw/zinc/20/16/82/338201682.db2.gz YXORHKVCMMBMKR-AWEZNQCLSA-N 2 2 323.444 3.540 20 0 DHADLP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000153000496 338215318 /nfs/dbraw/zinc/21/53/18/338215318.db2.gz NRVADDNBQIXBRW-DZGCQCFKSA-N 2 2 300.368 3.582 20 0 DHADLP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000153000496 338215319 /nfs/dbraw/zinc/21/53/19/338215319.db2.gz NRVADDNBQIXBRW-DZGCQCFKSA-N 2 2 300.368 3.582 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1nccs1 ZINC000153358552 338223235 /nfs/dbraw/zinc/22/32/35/338223235.db2.gz ITUUPYHZPQPTHJ-IJEWVQPXSA-N 2 2 307.507 3.837 20 0 DHADLP CC[N@H+](Cc1coc(-c2ccc(C)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435395457 338239025 /nfs/dbraw/zinc/23/90/25/338239025.db2.gz SNNDNYKIIBIJPK-SFHVURJKSA-N 2 2 313.445 3.614 20 0 DHADLP CC[N@@H+](Cc1coc(-c2ccc(C)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435395457 338239026 /nfs/dbraw/zinc/23/90/26/338239026.db2.gz SNNDNYKIIBIJPK-SFHVURJKSA-N 2 2 313.445 3.614 20 0 DHADLP COCCC1(C[NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC000436295482 338266971 /nfs/dbraw/zinc/26/69/71/338266971.db2.gz ZFLSQTSIXFFSLM-QZTJIDSGSA-N 2 2 310.526 3.683 20 0 DHADLP COCCC1(C[NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC000436295482 338266972 /nfs/dbraw/zinc/26/69/72/338266972.db2.gz ZFLSQTSIXFFSLM-QZTJIDSGSA-N 2 2 310.526 3.683 20 0 DHADLP c1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4cccnc4)CC3)C2)cc1 ZINC000436302312 338267682 /nfs/dbraw/zinc/26/76/82/338267682.db2.gz SVFOQLQHAPBNCM-XUTJKUGGSA-N 2 2 321.468 3.582 20 0 DHADLP c1ccc(C[C@H]2CC[C@@H]([NH2+]CCCNc3cccc[nH+]3)C2)cc1 ZINC000436306948 338268125 /nfs/dbraw/zinc/26/81/25/338268125.db2.gz QDFVTMRBKNLMLD-RTBURBONSA-N 2 2 309.457 3.885 20 0 DHADLP CC1(c2ccccc2)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000437636385 338316797 /nfs/dbraw/zinc/31/67/97/338316797.db2.gz NTOIMNYWWAFNPC-ITAUSPCMSA-N 2 2 320.480 3.971 20 0 DHADLP CC1(c2ccccc2)CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000437636385 338316798 /nfs/dbraw/zinc/31/67/98/338316798.db2.gz NTOIMNYWWAFNPC-ITAUSPCMSA-N 2 2 320.480 3.971 20 0 DHADLP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000437754987 338320235 /nfs/dbraw/zinc/32/02/35/338320235.db2.gz RNWKUDWPLURFST-GHTZIAJQSA-N 2 2 319.452 3.977 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000438196348 338336146 /nfs/dbraw/zinc/33/61/46/338336146.db2.gz AQGSTFNESMEQFQ-HZSPNIEDSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000438196348 338336147 /nfs/dbraw/zinc/33/61/47/338336147.db2.gz AQGSTFNESMEQFQ-HZSPNIEDSA-N 2 2 304.400 3.714 20 0 DHADLP CC(C)[C@@H]1CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000438342360 338340351 /nfs/dbraw/zinc/34/03/51/338340351.db2.gz RLIROKITYJMOTP-OAHLLOKOSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[C@@H]1CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000438342360 338340352 /nfs/dbraw/zinc/34/03/52/338340352.db2.gz RLIROKITYJMOTP-OAHLLOKOSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[C@@H]1CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000438342360 338340353 /nfs/dbraw/zinc/34/03/53/338340353.db2.gz RLIROKITYJMOTP-OAHLLOKOSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[C@@H]1CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000438342360 338340354 /nfs/dbraw/zinc/34/03/54/338340354.db2.gz RLIROKITYJMOTP-OAHLLOKOSA-N 2 2 321.534 3.778 20 0 DHADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(O)c2)[NH+](C)C)cc1 ZINC000442651912 338426776 /nfs/dbraw/zinc/42/67/76/338426776.db2.gz QQYURGJEYCHRKC-MGPUTAFESA-N 2 2 312.457 3.908 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000442777636 338430563 /nfs/dbraw/zinc/43/05/63/338430563.db2.gz JLMFUPQKITTZTK-IVMMDQJWSA-N 2 2 314.395 3.881 20 0 DHADLP COC[C@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)C1CCCC1 ZINC000446748736 338534782 /nfs/dbraw/zinc/53/47/82/338534782.db2.gz SJARNNXCNMVIFL-SFHVURJKSA-N 2 2 315.461 3.530 20 0 DHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000449062128 338589552 /nfs/dbraw/zinc/58/95/52/338589552.db2.gz IKBGNJFSXLPEDH-ROUUACIJSA-N 2 2 323.484 3.828 20 0 DHADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000449078758 338591423 /nfs/dbraw/zinc/59/14/23/338591423.db2.gz YLDYJVBLCSOCBL-AOIWGVFYSA-N 2 2 311.473 3.888 20 0 DHADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449170330 338598987 /nfs/dbraw/zinc/59/89/87/338598987.db2.gz IGSDAIYNQYHCIU-BZPMIXESSA-N 2 2 312.379 3.554 20 0 DHADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000449222707 338603768 /nfs/dbraw/zinc/60/37/68/338603768.db2.gz IKNXHGYIYDETRU-ZDUSSCGKSA-N 2 2 321.346 3.578 20 0 DHADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)Cc1ccoc1)[NH+](C)C ZINC000449268229 338608400 /nfs/dbraw/zinc/60/84/00/338608400.db2.gz FFYIVSQNKPHNMK-MDZRGWNJSA-N 2 2 300.446 3.800 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H](C)[NH+](C)C ZINC000449557398 338637428 /nfs/dbraw/zinc/63/74/28/338637428.db2.gz QSDNMJKXPDNBKF-SUIFULHWSA-N 2 2 300.368 3.648 20 0 DHADLP C[NH+](C)C[C@H]1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000450436786 338684090 /nfs/dbraw/zinc/68/40/90/338684090.db2.gz RMWULWKJZHJXME-GFCCVEGCSA-N 2 2 323.362 3.642 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000453111263 338795103 /nfs/dbraw/zinc/79/51/03/338795103.db2.gz DIIWZKCGXZXZDE-FCEWJHQRSA-N 2 2 324.472 3.704 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453407484 338839525 /nfs/dbraw/zinc/83/95/25/338839525.db2.gz GIOPVXJJPZLKPQ-CVEARBPZSA-N 2 2 313.445 3.728 20 0 DHADLP CCC[N@H+](CCc1c[nH+]cn1C)Cc1c(F)cccc1Cl ZINC000459319670 339021415 /nfs/dbraw/zinc/02/14/15/339021415.db2.gz DJNCOWKOOKSPLY-UHFFFAOYSA-N 2 2 309.816 3.667 20 0 DHADLP CCC[N@@H+](CCc1c[nH+]cn1C)Cc1c(F)cccc1Cl ZINC000459319670 339021416 /nfs/dbraw/zinc/02/14/16/339021416.db2.gz DJNCOWKOOKSPLY-UHFFFAOYSA-N 2 2 309.816 3.667 20 0 DHADLP Cc1cc(F)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000459322795 339021584 /nfs/dbraw/zinc/02/15/84/339021584.db2.gz ICTYZJILIODPQC-GFCCVEGCSA-N 2 2 307.800 3.890 20 0 DHADLP Cc1cc(F)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000459322795 339021585 /nfs/dbraw/zinc/02/15/85/339021585.db2.gz ICTYZJILIODPQC-GFCCVEGCSA-N 2 2 307.800 3.890 20 0 DHADLP Cc1ccccc1-c1cccc(C[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000459658011 339041014 /nfs/dbraw/zinc/04/10/14/339041014.db2.gz IOGGYWLQMROPTN-UHFFFAOYSA-N 2 2 305.425 3.728 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)c1 ZINC000459659476 339041067 /nfs/dbraw/zinc/04/10/67/339041067.db2.gz KDFSDIQGSHLODL-MAUKXSAKSA-N 2 2 317.864 3.617 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1C ZINC000459660285 339041251 /nfs/dbraw/zinc/04/12/51/339041251.db2.gz DZVPQKPZOSZOJL-PXNSSMCTSA-N 2 2 323.484 3.841 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1C ZINC000459660285 339041252 /nfs/dbraw/zinc/04/12/52/339041252.db2.gz DZVPQKPZOSZOJL-PXNSSMCTSA-N 2 2 323.484 3.841 20 0 DHADLP Cc1ccc2[nH+]c(CNc3ccc(C[NH+](C)C)c(C)c3)cn2c1 ZINC000459749965 339046029 /nfs/dbraw/zinc/04/60/29/339046029.db2.gz HCZABYBSFQKWFE-UHFFFAOYSA-N 2 2 308.429 3.625 20 0 DHADLP Cc1cccn2c(C[NH2+]CCCOc3c(C)cccc3C)c[nH+]c12 ZINC000462357563 339076481 /nfs/dbraw/zinc/07/64/81/339076481.db2.gz BXAMWVQFXRBKDD-UHFFFAOYSA-N 2 2 323.440 3.818 20 0 DHADLP Cc1cc(C)cc(C[C@@H](C)[NH2+]Cc2c[nH+]c3c(C)cccn23)c1 ZINC000462737844 339085808 /nfs/dbraw/zinc/08/58/08/339085808.db2.gz XKOLGRVSDZIPFN-QGZVFWFLSA-N 2 2 307.441 3.980 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463028724 339101571 /nfs/dbraw/zinc/10/15/71/339101571.db2.gz OUEBTVKZJGZRHD-GDBMZVCRSA-N 2 2 302.462 3.751 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463028724 339101572 /nfs/dbraw/zinc/10/15/72/339101572.db2.gz OUEBTVKZJGZRHD-GDBMZVCRSA-N 2 2 302.462 3.751 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466371655 339201226 /nfs/dbraw/zinc/20/12/26/339201226.db2.gz JYEJJGPWBJRDNW-YMAMQOFZSA-N 2 2 306.416 3.819 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466371655 339201227 /nfs/dbraw/zinc/20/12/27/339201227.db2.gz JYEJJGPWBJRDNW-YMAMQOFZSA-N 2 2 306.416 3.819 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000466899495 339220563 /nfs/dbraw/zinc/22/05/63/339220563.db2.gz KAUAFJHNTONBAD-SWLSCSKDSA-N 2 2 312.379 3.729 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000466899495 339220564 /nfs/dbraw/zinc/22/05/64/339220564.db2.gz KAUAFJHNTONBAD-SWLSCSKDSA-N 2 2 312.379 3.729 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000467386101 339235921 /nfs/dbraw/zinc/23/59/21/339235921.db2.gz UEODJSVUKFESQP-LRDDRELGSA-N 2 2 312.379 3.586 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000467386101 339235922 /nfs/dbraw/zinc/23/59/22/339235922.db2.gz UEODJSVUKFESQP-LRDDRELGSA-N 2 2 312.379 3.586 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000467433835 339238277 /nfs/dbraw/zinc/23/82/77/339238277.db2.gz AMEWJAMWSYDGMU-HKSNIRPXSA-N 2 2 322.855 3.797 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000467433835 339238278 /nfs/dbraw/zinc/23/82/78/339238278.db2.gz AMEWJAMWSYDGMU-HKSNIRPXSA-N 2 2 322.855 3.797 20 0 DHADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C)cc1 ZINC000468523397 339265389 /nfs/dbraw/zinc/26/53/89/339265389.db2.gz QCDHRJPYEIVQID-QVOWHETESA-N 2 2 304.478 3.502 20 0 DHADLP CCCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000468553656 339266106 /nfs/dbraw/zinc/26/61/06/339266106.db2.gz KZYFVWPGQLSUFR-FUHWJXTLSA-N 2 2 310.526 3.824 20 0 DHADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000468602386 339267056 /nfs/dbraw/zinc/26/70/56/339267056.db2.gz YMNKOSBUXQZMOI-DOMZBBRYSA-N 2 2 314.395 3.523 20 0 DHADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000468602386 339267057 /nfs/dbraw/zinc/26/70/57/339267057.db2.gz YMNKOSBUXQZMOI-DOMZBBRYSA-N 2 2 314.395 3.523 20 0 DHADLP COc1cccc2c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C)c[nH+]c12 ZINC000468713346 339269254 /nfs/dbraw/zinc/26/92/54/339269254.db2.gz HASIGZBVEGLPNY-LSDHHAIUSA-N 2 2 311.429 3.591 20 0 DHADLP COc1cccc2c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c(C)c[nH+]c12 ZINC000468713346 339269255 /nfs/dbraw/zinc/26/92/55/339269255.db2.gz HASIGZBVEGLPNY-LSDHHAIUSA-N 2 2 311.429 3.591 20 0 DHADLP COc1cccc2c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c(C)c[nH+]c12 ZINC000468713343 339269285 /nfs/dbraw/zinc/26/92/85/339269285.db2.gz HASIGZBVEGLPNY-CABCVRRESA-N 2 2 311.429 3.591 20 0 DHADLP COc1cccc2c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c(C)c[nH+]c12 ZINC000468713343 339269286 /nfs/dbraw/zinc/26/92/86/339269286.db2.gz HASIGZBVEGLPNY-CABCVRRESA-N 2 2 311.429 3.591 20 0 DHADLP CCCCCN(C)c1ccc(F)cc1C[NH+]1CCC([NH2+]C)CC1 ZINC000470006744 339308297 /nfs/dbraw/zinc/30/82/97/339308297.db2.gz UHAXHKQEFKMCEC-UHFFFAOYSA-N 2 2 321.484 3.636 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000471593490 339348452 /nfs/dbraw/zinc/34/84/52/339348452.db2.gz KRKSLXRHEXNJOJ-ARFHVFGLSA-N 2 2 304.503 3.690 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000471593490 339348453 /nfs/dbraw/zinc/34/84/53/339348453.db2.gz KRKSLXRHEXNJOJ-ARFHVFGLSA-N 2 2 304.503 3.690 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471612153 339349501 /nfs/dbraw/zinc/34/95/01/339349501.db2.gz RSRXYBKEUNUZIG-DQLDELGASA-N 2 2 308.469 3.825 20 0 DHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000472053445 339360255 /nfs/dbraw/zinc/36/02/55/339360255.db2.gz NFLZUAJQPVQKBV-OLZOCXBDSA-N 2 2 315.914 3.787 20 0 DHADLP COc1ccsc1[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000472147526 339364343 /nfs/dbraw/zinc/36/43/43/339364343.db2.gz MZYSOVMREMAKQS-OAHLLOKOSA-N 2 2 318.486 3.929 20 0 DHADLP COc1ccsc1[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000472147526 339364344 /nfs/dbraw/zinc/36/43/44/339364344.db2.gz MZYSOVMREMAKQS-OAHLLOKOSA-N 2 2 318.486 3.929 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474479218 339416816 /nfs/dbraw/zinc/41/68/16/339416816.db2.gz RLOPUYPMYMNEGL-GRYCIOLGSA-N 2 2 300.899 3.823 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000474798173 339426538 /nfs/dbraw/zinc/42/65/38/339426538.db2.gz WWGKPEQJYYEAIT-DLBZAZTESA-N 2 2 310.526 3.680 20 0 DHADLP CCCC[C@@H](COC)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000479850343 339550406 /nfs/dbraw/zinc/55/04/06/339550406.db2.gz HIBPBDMJYJMZDA-RBUKOAKNSA-N 2 2 304.478 3.618 20 0 DHADLP CC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000481727298 339611570 /nfs/dbraw/zinc/61/15/70/339611570.db2.gz HZQDYXOWHLYKCS-SLFFLAALSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1([NH+](C)C)CCC1 ZINC000481991189 339618842 /nfs/dbraw/zinc/61/88/42/339618842.db2.gz NYQHDIJCHAIXTD-CYBMUJFWSA-N 2 2 314.395 3.710 20 0 DHADLP COc1c(O)cccc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000482490318 339633052 /nfs/dbraw/zinc/63/30/52/339633052.db2.gz MVCIFCKAQMEKMC-UHFFFAOYSA-N 2 2 320.477 3.535 20 0 DHADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000484466310 339686628 /nfs/dbraw/zinc/68/66/28/339686628.db2.gz JYWJDGTVJAZAPL-QAPCUYQASA-N 2 2 322.518 3.563 20 0 DHADLP C[C@@H]([NH2+]C/C=C\c1ccncc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000487286055 339749228 /nfs/dbraw/zinc/74/92/28/339749228.db2.gz DNCMEYSICMNPJF-MJSXRHKHSA-N 2 2 304.397 3.631 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000487579691 339758546 /nfs/dbraw/zinc/75/85/46/339758546.db2.gz WMJHUCFUKCHLTQ-MPGHIAIKSA-N 2 2 301.478 3.631 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H](C)COC(C)C)[NH+]2CCCC2)cc1 ZINC000501432688 340081040 /nfs/dbraw/zinc/08/10/40/340081040.db2.gz DYAYKWKBIFUPOJ-MJGOQNOKSA-N 2 2 304.478 3.535 20 0 DHADLP CCCOc1cccc2c(NCC3=CC[N@H+](C)CC3)cc[nH+]c12 ZINC000502010608 340092831 /nfs/dbraw/zinc/09/28/31/340092831.db2.gz OFVYCUBVISKBQA-UHFFFAOYSA-N 2 2 311.429 3.697 20 0 DHADLP CCCOc1cccc2c(NCC3=CC[N@@H+](C)CC3)cc[nH+]c12 ZINC000502010608 340092832 /nfs/dbraw/zinc/09/28/32/340092832.db2.gz OFVYCUBVISKBQA-UHFFFAOYSA-N 2 2 311.429 3.697 20 0 DHADLP CCCC[C@@H](CC)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000502685702 340110509 /nfs/dbraw/zinc/11/05/09/340110509.db2.gz RSPYVMLHMFKQQF-CQSZACIVSA-N 2 2 324.432 3.839 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000502706796 340111681 /nfs/dbraw/zinc/11/16/81/340111681.db2.gz JDHZWNXHMSUUOX-BBWFWOEESA-N 2 2 322.518 3.680 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCOC)c1ccccc1 ZINC000502708994 340111809 /nfs/dbraw/zinc/11/18/09/340111809.db2.gz SDXAYEOXRTXBOA-MISYRCLQSA-N 2 2 318.505 3.864 20 0 DHADLP Cc1ccccc1[C@]1(F)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000502878724 340115478 /nfs/dbraw/zinc/11/54/78/340115478.db2.gz UTZSONVVFXNTNM-HKUYNNGSSA-N 2 2 304.453 3.740 20 0 DHADLP Cc1ccccc1[C@]1(F)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000502878724 340115479 /nfs/dbraw/zinc/11/54/79/340115479.db2.gz UTZSONVVFXNTNM-HKUYNNGSSA-N 2 2 304.453 3.740 20 0 DHADLP Cc1ccccc1[C@]1(F)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000502878724 340115480 /nfs/dbraw/zinc/11/54/80/340115480.db2.gz UTZSONVVFXNTNM-HKUYNNGSSA-N 2 2 304.453 3.740 20 0 DHADLP Cc1ccccc1[C@]1(F)CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000502878724 340115481 /nfs/dbraw/zinc/11/54/81/340115481.db2.gz UTZSONVVFXNTNM-HKUYNNGSSA-N 2 2 304.453 3.740 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC000507446393 340220013 /nfs/dbraw/zinc/22/00/13/340220013.db2.gz TYCJMTPMVACQMH-QPJJXVBHSA-N 2 2 312.379 3.706 20 0 DHADLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@@H]1C ZINC000507465569 340220991 /nfs/dbraw/zinc/22/09/91/340220991.db2.gz BHKHDXBLPOOVLX-NFAWXSAZSA-N 2 2 306.416 3.818 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000300415931 340225401 /nfs/dbraw/zinc/22/54/01/340225401.db2.gz ZMIRJVIBGGUQHT-LRDDRELGSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000300415931 340225402 /nfs/dbraw/zinc/22/54/02/340225402.db2.gz ZMIRJVIBGGUQHT-LRDDRELGSA-N 2 2 323.278 3.510 20 0 DHADLP Cc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1Cl ZINC000507802756 340231994 /nfs/dbraw/zinc/23/19/94/340231994.db2.gz IANLUMIXOYYRPO-QGZVFWFLSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1Cl ZINC000507802756 340231995 /nfs/dbraw/zinc/23/19/95/340231995.db2.gz IANLUMIXOYYRPO-QGZVFWFLSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1Cl ZINC000507802756 340231996 /nfs/dbraw/zinc/23/19/96/340231996.db2.gz IANLUMIXOYYRPO-QGZVFWFLSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1Cl ZINC000507802756 340231997 /nfs/dbraw/zinc/23/19/97/340231997.db2.gz IANLUMIXOYYRPO-QGZVFWFLSA-N 2 2 306.881 3.812 20 0 DHADLP C[N@H+](C/C=C\c1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000508286170 340241970 /nfs/dbraw/zinc/24/19/70/340241970.db2.gz PCQMEFWAWPXLQW-HLVGAWMBSA-N 2 2 321.468 3.720 20 0 DHADLP C[N@@H+](C/C=C\c1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000508286170 340241971 /nfs/dbraw/zinc/24/19/71/340241971.db2.gz PCQMEFWAWPXLQW-HLVGAWMBSA-N 2 2 321.468 3.720 20 0 DHADLP C[NH+](C/C=C\c1ccccc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000508286170 340241972 /nfs/dbraw/zinc/24/19/72/340241972.db2.gz PCQMEFWAWPXLQW-HLVGAWMBSA-N 2 2 321.468 3.720 20 0 DHADLP C[NH+](C/C=C\c1ccccc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000508286170 340241973 /nfs/dbraw/zinc/24/19/73/340241973.db2.gz PCQMEFWAWPXLQW-HLVGAWMBSA-N 2 2 321.468 3.720 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000510467609 340300383 /nfs/dbraw/zinc/30/03/83/340300383.db2.gz OXYJTMROXDDREX-UHFFFAOYSA-N 2 2 316.489 3.706 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000510467609 340300384 /nfs/dbraw/zinc/30/03/84/340300384.db2.gz OXYJTMROXDDREX-UHFFFAOYSA-N 2 2 316.489 3.706 20 0 DHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH+]1CCCC1 ZINC000510737914 340309003 /nfs/dbraw/zinc/30/90/03/340309003.db2.gz PWCYVGNCCOERFL-CQSZACIVSA-N 2 2 314.395 3.712 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000513071130 340392046 /nfs/dbraw/zinc/39/20/46/340392046.db2.gz WEJLDHBILHVNNS-UHFFFAOYSA-N 2 2 316.489 3.753 20 0 DHADLP COc1ccc([C@H](C[NH2+][C@H](C)C2CCC2)[NH+]2CCCC2)cc1 ZINC000178247281 340448045 /nfs/dbraw/zinc/44/80/45/340448045.db2.gz ZUWJMSZGQXJHEO-BEFAXECRSA-N 2 2 302.462 3.610 20 0 DHADLP COc1ccc([C@@H](C[NH2+]C[C@H]2CC=CCC2)[NH+]2CCCC2)cc1 ZINC000237492322 340671448 /nfs/dbraw/zinc/67/14/48/340671448.db2.gz WLQCRJTVWPORQA-FXAWDEMLSA-N 2 2 314.473 3.778 20 0 DHADLP COc1ccccc1CC(C)(C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000525182677 340693999 /nfs/dbraw/zinc/69/39/99/340693999.db2.gz MFXKLOUOVUAPMX-UHFFFAOYSA-N 2 2 323.440 3.762 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216272 340782680 /nfs/dbraw/zinc/78/26/80/340782680.db2.gz ABVUKPPPAAIZSA-DGCLKSJQSA-N 2 2 307.507 3.684 20 0 DHADLP CCc1cnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000541019216 340956361 /nfs/dbraw/zinc/95/63/61/340956361.db2.gz CGSYGGRYTLGJBR-CYBMUJFWSA-N 2 2 310.401 3.582 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCCCCC1 ZINC000541549614 340973872 /nfs/dbraw/zinc/97/38/72/340973872.db2.gz UDUYUTYHBXNYGC-KRWDZBQOSA-N 2 2 315.505 3.995 20 0 DHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@H]1CCCO1 ZINC000542470671 341008811 /nfs/dbraw/zinc/00/88/11/341008811.db2.gz MHOAHGJSACKQFJ-YQVWRLOYSA-N 2 2 316.489 3.807 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]CCCc2ccsc2)[C@@H]1c1ccccc1 ZINC000564256107 341010148 /nfs/dbraw/zinc/01/01/48/341010148.db2.gz OWIDVCRBIVFNQF-MSOLQXFVSA-N 2 2 300.471 3.716 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]CCCc2ccsc2)[C@@H]1c1ccccc1 ZINC000564256107 341010149 /nfs/dbraw/zinc/01/01/49/341010149.db2.gz OWIDVCRBIVFNQF-MSOLQXFVSA-N 2 2 300.471 3.716 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccsc2S1 ZINC000130391213 341020543 /nfs/dbraw/zinc/02/05/43/341020543.db2.gz LMPXVOODQALVHX-JSGCOSHPSA-N 2 2 307.488 3.940 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cc1F ZINC000130583939 341029521 /nfs/dbraw/zinc/02/95/21/341029521.db2.gz RDLLKKVNJPCJHP-GFCCVEGCSA-N 2 2 301.340 3.506 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C2CCC2)o1 ZINC000543606439 341051067 /nfs/dbraw/zinc/05/10/67/341051067.db2.gz LJXZJQPJFFXFOS-TXPKVOOTSA-N 2 2 320.477 3.518 20 0 DHADLP CC1=CC[N@H+](CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000545871136 341143728 /nfs/dbraw/zinc/14/37/28/341143728.db2.gz SJKUOCCTINBXQB-UHFFFAOYSA-N 2 2 314.473 3.660 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000545871136 341143729 /nfs/dbraw/zinc/14/37/29/341143729.db2.gz SJKUOCCTINBXQB-UHFFFAOYSA-N 2 2 314.473 3.660 20 0 DHADLP c1ccc([C@@H]2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000133302641 341171135 /nfs/dbraw/zinc/17/11/35/341171135.db2.gz NFJWESBZGIXTSD-UYAOXDASSA-N 2 2 321.468 3.976 20 0 DHADLP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136882569 341268731 /nfs/dbraw/zinc/26/87/31/341268731.db2.gz KOLIIMCPWPVRNA-OAHLLOKOSA-N 2 2 317.864 3.837 20 0 DHADLP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136882569 341268732 /nfs/dbraw/zinc/26/87/32/341268732.db2.gz KOLIIMCPWPVRNA-OAHLLOKOSA-N 2 2 317.864 3.837 20 0 DHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549413289 341293936 /nfs/dbraw/zinc/29/39/36/341293936.db2.gz KPGNEOHERSKUQV-CRAIPNDOSA-N 2 2 308.416 3.571 20 0 DHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549413289 341293937 /nfs/dbraw/zinc/29/39/37/341293937.db2.gz KPGNEOHERSKUQV-CRAIPNDOSA-N 2 2 308.416 3.571 20 0 DHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549413289 341293938 /nfs/dbraw/zinc/29/39/38/341293938.db2.gz KPGNEOHERSKUQV-CRAIPNDOSA-N 2 2 308.416 3.571 20 0 DHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549413289 341293939 /nfs/dbraw/zinc/29/39/39/341293939.db2.gz KPGNEOHERSKUQV-CRAIPNDOSA-N 2 2 308.416 3.571 20 0 DHADLP CCOC1(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCCC1 ZINC000549864032 341305445 /nfs/dbraw/zinc/30/54/45/341305445.db2.gz QASSIGNUWSGFRO-HKUYNNGSSA-N 2 2 316.489 3.761 20 0 DHADLP CCOC1(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCCC1 ZINC000549864032 341305446 /nfs/dbraw/zinc/30/54/46/341305446.db2.gz QASSIGNUWSGFRO-HKUYNNGSSA-N 2 2 316.489 3.761 20 0 DHADLP C[C@@H]1C[C@H]1[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000245865201 341316593 /nfs/dbraw/zinc/31/65/93/341316593.db2.gz IKLZUVCUHZMMKB-XYPHTWIQSA-N 2 2 303.837 3.914 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCOC2(C)C)CCCC1)c1ccccc1 ZINC000551051436 341330218 /nfs/dbraw/zinc/33/02/18/341330218.db2.gz OLPLLOSYPBLUGR-FUHWJXTLSA-N 2 2 316.489 3.807 20 0 DHADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@H]1Cc1ccccc1 ZINC000551098219 341331691 /nfs/dbraw/zinc/33/16/91/341331691.db2.gz WGUSGGTZTMROMP-PMACEKPBSA-N 2 2 300.490 3.956 20 0 DHADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@H]1Cc1ccccc1 ZINC000551098219 341331692 /nfs/dbraw/zinc/33/16/92/341331692.db2.gz WGUSGGTZTMROMP-PMACEKPBSA-N 2 2 300.490 3.956 20 0 DHADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000551098219 341331693 /nfs/dbraw/zinc/33/16/93/341331693.db2.gz WGUSGGTZTMROMP-PMACEKPBSA-N 2 2 300.490 3.956 20 0 DHADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000551098219 341331694 /nfs/dbraw/zinc/33/16/94/341331694.db2.gz WGUSGGTZTMROMP-PMACEKPBSA-N 2 2 300.490 3.956 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000551228575 341334598 /nfs/dbraw/zinc/33/45/98/341334598.db2.gz JYXYKRWCCRVMMD-AEFFLSMTSA-N 2 2 317.521 3.954 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000551228575 341334599 /nfs/dbraw/zinc/33/45/99/341334599.db2.gz JYXYKRWCCRVMMD-AEFFLSMTSA-N 2 2 317.521 3.954 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000551534182 341344349 /nfs/dbraw/zinc/34/43/49/341344349.db2.gz UBWYGNLJGQINSK-DGWIIEBVSA-N 2 2 316.489 3.506 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000551534182 341344350 /nfs/dbraw/zinc/34/43/50/341344350.db2.gz UBWYGNLJGQINSK-DGWIIEBVSA-N 2 2 316.489 3.506 20 0 DHADLP CCC1CC([NH2+]C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000551534738 341344480 /nfs/dbraw/zinc/34/44/80/341344480.db2.gz UDEPJXVAKLKXAX-KVWWFHCMSA-N 2 2 302.462 3.610 20 0 DHADLP Clc1ccc(Cl)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000551586758 341346679 /nfs/dbraw/zinc/34/66/79/341346679.db2.gz MIQVIQNMGXQCHG-UHFFFAOYSA-N 2 2 310.228 3.816 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000551791317 341351801 /nfs/dbraw/zinc/35/18/01/341351801.db2.gz KPDTZPLIBGKLJF-PWIZWCRZSA-N 2 2 316.489 3.653 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246529320 341353207 /nfs/dbraw/zinc/35/32/07/341353207.db2.gz JHOATPSWXXKUST-FRIZHTMISA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246529320 341353208 /nfs/dbraw/zinc/35/32/08/341353208.db2.gz JHOATPSWXXKUST-FRIZHTMISA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246529320 341353209 /nfs/dbraw/zinc/35/32/09/341353209.db2.gz JHOATPSWXXKUST-FRIZHTMISA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246529320 341353210 /nfs/dbraw/zinc/35/32/10/341353210.db2.gz JHOATPSWXXKUST-FRIZHTMISA-N 2 2 320.427 3.975 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cscn1 ZINC000552002209 341359091 /nfs/dbraw/zinc/35/90/91/341359091.db2.gz HXNOISPBKMTQMF-OAHLLOKOSA-N 2 2 315.486 3.980 20 0 DHADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247177822 341361881 /nfs/dbraw/zinc/36/18/81/341361881.db2.gz SXOOYVWMTKHLAJ-XYJFISCASA-N 2 2 304.478 3.745 20 0 DHADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247177822 341361882 /nfs/dbraw/zinc/36/18/82/341361882.db2.gz SXOOYVWMTKHLAJ-XYJFISCASA-N 2 2 304.478 3.745 20 0 DHADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554050384 341441832 /nfs/dbraw/zinc/44/18/32/341441832.db2.gz LCDIVZBKJSRWQK-RTBURBONSA-N 2 2 302.437 3.568 20 0 DHADLP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000565242809 341521251 /nfs/dbraw/zinc/52/12/51/341521251.db2.gz SIMYOZPDBYLDCP-QGZVFWFLSA-N 2 2 315.505 3.995 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc(Cl)cc3)CCCC2)n1C ZINC000569238401 341695314 /nfs/dbraw/zinc/69/53/14/341695314.db2.gz PWWYKLPUTUZUJV-UHFFFAOYSA-N 2 2 317.864 3.984 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CC3CCC2CC3)CC1 ZINC000580647403 341891695 /nfs/dbraw/zinc/89/16/95/341891695.db2.gz WYSDQDIESLHPRP-YMAMQOFZSA-N 2 2 318.427 3.819 20 0 DHADLP c1ccc2c(c1)[nH]c1nc[nH+]c(NC3CC([NH+]4CCCCC4)C3)c21 ZINC000577577741 341919855 /nfs/dbraw/zinc/91/98/55/341919855.db2.gz DZICTCCMBMZGPG-UHFFFAOYSA-N 2 2 321.428 3.540 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)n1C ZINC000577866911 341944975 /nfs/dbraw/zinc/94/49/75/341944975.db2.gz IXQINCDNLVDVEL-LBPRGKRZSA-N 2 2 312.442 3.703 20 0 DHADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)[NH+](C)C ZINC000337329759 519353115 /nfs/dbraw/zinc/35/31/15/519353115.db2.gz FXDBDBVEXYGPIM-YTQUADARSA-N 2 2 303.494 3.674 20 0 DHADLP CC(C)C[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000363820552 519397243 /nfs/dbraw/zinc/39/72/43/519397243.db2.gz KKWCPIALRLHTTA-SFHVURJKSA-N 2 2 321.428 3.539 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181125495 520728912 /nfs/dbraw/zinc/72/89/12/520728912.db2.gz DCTSYRIWDDJHQT-GJZGRUSLSA-N 2 2 301.434 3.553 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181125495 520728924 /nfs/dbraw/zinc/72/89/24/520728924.db2.gz DCTSYRIWDDJHQT-GJZGRUSLSA-N 2 2 301.434 3.553 20 0 DHADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000182593242 520863111 /nfs/dbraw/zinc/86/31/11/520863111.db2.gz QYFOPVIETKZPLV-PXNSSMCTSA-N 2 2 313.489 3.628 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OCC ZINC000154630393 521261982 /nfs/dbraw/zinc/26/19/82/521261982.db2.gz DQCCUNUHLHEJKD-SJORKVTESA-N 2 2 320.477 3.619 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+]C[C@H]2CCC[N@H+]2C)cc1OCC ZINC000154630393 521261985 /nfs/dbraw/zinc/26/19/85/521261985.db2.gz DQCCUNUHLHEJKD-SJORKVTESA-N 2 2 320.477 3.619 20 0 DHADLP CCCCc1nc(C[N@H+](C)CCCn2cc[nH+]c2C)cs1 ZINC000130722222 521291719 /nfs/dbraw/zinc/29/17/19/521291719.db2.gz NDKFCKXQVGWZTI-UHFFFAOYSA-N 2 2 306.479 3.513 20 0 DHADLP CCCCc1nc(C[N@@H+](C)CCCn2cc[nH+]c2C)cs1 ZINC000130722222 521291732 /nfs/dbraw/zinc/29/17/32/521291732.db2.gz NDKFCKXQVGWZTI-UHFFFAOYSA-N 2 2 306.479 3.513 20 0 DHADLP CC[N@H+](Cc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1)C1CC1 ZINC000107293847 521301733 /nfs/dbraw/zinc/30/17/33/521301733.db2.gz JFVLCOJQRDFUCP-UHFFFAOYSA-N 2 2 309.413 3.627 20 0 DHADLP CC[N@@H+](Cc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1)C1CC1 ZINC000107293847 521301743 /nfs/dbraw/zinc/30/17/43/521301743.db2.gz JFVLCOJQRDFUCP-UHFFFAOYSA-N 2 2 309.413 3.627 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(F)ccc1F ZINC000191470772 521663148 /nfs/dbraw/zinc/66/31/48/521663148.db2.gz DCBZBFCHKMIQKI-UHFFFAOYSA-N 2 2 307.388 3.636 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(F)ccc1F ZINC000191470772 521663150 /nfs/dbraw/zinc/66/31/50/521663150.db2.gz DCBZBFCHKMIQKI-UHFFFAOYSA-N 2 2 307.388 3.636 20 0 DHADLP CCSc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000364213666 521755364 /nfs/dbraw/zinc/75/53/64/521755364.db2.gz GLHNZFKNRSLFFY-UHFFFAOYSA-N 2 2 324.453 3.669 20 0 DHADLP CCc1c[nH+]ccc1NC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000265015786 522081660 /nfs/dbraw/zinc/08/16/60/522081660.db2.gz HNEVAUDZOFDWHG-SFHVURJKSA-N 2 2 311.429 3.666 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000339152890 522179174 /nfs/dbraw/zinc/17/91/74/522179174.db2.gz GWFFDGMQPVPUFT-UHFFFAOYSA-N 2 2 303.494 3.685 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000339152890 522179186 /nfs/dbraw/zinc/17/91/86/522179186.db2.gz GWFFDGMQPVPUFT-UHFFFAOYSA-N 2 2 303.494 3.685 20 0 DHADLP CCc1nc2c(s1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CCC2 ZINC000163826936 522478230 /nfs/dbraw/zinc/47/82/30/522478230.db2.gz QOLLADITPGJNJO-CYBMUJFWSA-N 2 2 316.474 3.570 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCO[C@@H](C)C3)ccc2n1C1CC1 ZINC000338463567 522481898 /nfs/dbraw/zinc/48/18/98/522481898.db2.gz YFJXGMRFDXTKCB-DZGCQCFKSA-N 2 2 313.445 3.591 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338313101 522598199 /nfs/dbraw/zinc/59/81/99/522598199.db2.gz HRCPJHYLUYHQCD-GJZGRUSLSA-N 2 2 311.420 3.908 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338313101 522598210 /nfs/dbraw/zinc/59/82/10/522598210.db2.gz HRCPJHYLUYHQCD-GJZGRUSLSA-N 2 2 311.420 3.908 20 0 DHADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337345220 523173987 /nfs/dbraw/zinc/17/39/87/523173987.db2.gz UTHPUCOSTYFFRT-YSIASYRMSA-N 2 2 315.505 3.962 20 0 DHADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337345220 523173999 /nfs/dbraw/zinc/17/39/99/523173999.db2.gz UTHPUCOSTYFFRT-YSIASYRMSA-N 2 2 315.505 3.962 20 0 DHADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000159082261 523298504 /nfs/dbraw/zinc/29/85/04/523298504.db2.gz BJCTVVREMPMWSP-LBPRGKRZSA-N 2 2 316.898 3.553 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337325989 524113087 /nfs/dbraw/zinc/11/30/87/524113087.db2.gz CFDBCQKLHXKNCA-LMMKCTJWSA-N 2 2 301.478 3.572 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337325989 524113094 /nfs/dbraw/zinc/11/30/94/524113094.db2.gz CFDBCQKLHXKNCA-LMMKCTJWSA-N 2 2 301.478 3.572 20 0 DHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155670452 524272499 /nfs/dbraw/zinc/27/24/99/524272499.db2.gz BUMHCZAASFKLPP-INIZCTEOSA-N 2 2 321.424 3.910 20 0 DHADLP C[C@H]1CC[N@H+](CCSC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000337296906 524290888 /nfs/dbraw/zinc/29/08/88/524290888.db2.gz JXDMRCFMHXPOMS-DOTOQJQBSA-N 2 2 307.507 3.832 20 0 DHADLP C[C@H]1CC[N@@H+](CCSC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000337296906 524290891 /nfs/dbraw/zinc/29/08/91/524290891.db2.gz JXDMRCFMHXPOMS-DOTOQJQBSA-N 2 2 307.507 3.832 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C[C@@H]1n1cc[nH+]c1 ZINC000156525237 524513182 /nfs/dbraw/zinc/51/31/82/524513182.db2.gz SBUIGDKXNYBCQP-QAPCUYQASA-N 2 2 306.413 3.514 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C[C@@H]1n1cc[nH+]c1 ZINC000156525237 524513189 /nfs/dbraw/zinc/51/31/89/524513189.db2.gz SBUIGDKXNYBCQP-QAPCUYQASA-N 2 2 306.413 3.514 20 0 DHADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000365126995 524741746 /nfs/dbraw/zinc/74/17/46/524741746.db2.gz UUQNUJDDXRAEKM-AZUAARDMSA-N 2 2 323.484 3.687 20 0 DHADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000365126995 524741754 /nfs/dbraw/zinc/74/17/54/524741754.db2.gz UUQNUJDDXRAEKM-AZUAARDMSA-N 2 2 323.484 3.687 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157540558 525009059 /nfs/dbraw/zinc/00/90/59/525009059.db2.gz QEQAJEGOHOTUSC-WBMJQRKESA-N 2 2 303.837 3.590 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157540558 525009071 /nfs/dbraw/zinc/00/90/71/525009071.db2.gz QEQAJEGOHOTUSC-WBMJQRKESA-N 2 2 303.837 3.590 20 0 DHADLP Cc1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000161518081 525113922 /nfs/dbraw/zinc/11/39/22/525113922.db2.gz GKVWPTXPJLQFAP-UHFFFAOYSA-N 2 2 323.440 3.631 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339431708 525368944 /nfs/dbraw/zinc/36/89/44/525368944.db2.gz ABWLIPGRVWODOP-GOSISDBHSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339431708 525368952 /nfs/dbraw/zinc/36/89/52/525368952.db2.gz ABWLIPGRVWODOP-GOSISDBHSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339431708 525368959 /nfs/dbraw/zinc/36/89/59/525368959.db2.gz ABWLIPGRVWODOP-GOSISDBHSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339431708 525368965 /nfs/dbraw/zinc/36/89/65/525368965.db2.gz ABWLIPGRVWODOP-GOSISDBHSA-N 2 2 324.415 3.514 20 0 DHADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1OCc1ccccc1 ZINC000155667203 525376444 /nfs/dbraw/zinc/37/64/44/525376444.db2.gz PTGYBILCBBDDAN-KRWDZBQOSA-N 2 2 321.424 3.813 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccnc1Cl ZINC000162859604 525434829 /nfs/dbraw/zinc/43/48/29/525434829.db2.gz STYPPGXDIBVGRV-CYBMUJFWSA-N 2 2 304.825 3.673 20 0 DHADLP Cc1ccccc1[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267372942 525439590 /nfs/dbraw/zinc/43/95/90/525439590.db2.gz KTTNVSZVVKRPNK-SFHVURJKSA-N 2 2 318.424 3.565 20 0 DHADLP Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267372942 525439599 /nfs/dbraw/zinc/43/95/99/525439599.db2.gz KTTNVSZVVKRPNK-SFHVURJKSA-N 2 2 318.424 3.565 20 0 DHADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(Cl)nc1 ZINC000179113779 525444721 /nfs/dbraw/zinc/44/47/21/525444721.db2.gz AJAQHPNASOYVLG-GFCCVEGCSA-N 2 2 314.820 3.895 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1ccncc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338031468 525620571 /nfs/dbraw/zinc/62/05/71/525620571.db2.gz UMRHVXBXFUNFEZ-KGLIPLIRSA-N 2 2 310.376 3.818 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000130526986 525690763 /nfs/dbraw/zinc/69/07/63/525690763.db2.gz MFCLGCGRQDZFSF-KUHUBIRLSA-N 2 2 319.408 3.916 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccncc2)[NH+]2CCCC2)cc1 ZINC000156540870 525765617 /nfs/dbraw/zinc/76/56/17/525765617.db2.gz HBNIINFXACOGPA-FXAWDEMLSA-N 2 2 309.457 3.878 20 0 DHADLP Cc1c([C@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)cnn1C(C)C ZINC000191200888 525916109 /nfs/dbraw/zinc/91/61/09/525916109.db2.gz ODBWUEOQKYXOOQ-INIZCTEOSA-N 2 2 314.477 3.555 20 0 DHADLP Cc1c([C@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)cnn1C(C)C ZINC000191200888 525916113 /nfs/dbraw/zinc/91/61/13/525916113.db2.gz ODBWUEOQKYXOOQ-INIZCTEOSA-N 2 2 314.477 3.555 20 0 DHADLP C[C@H](c1ccccc1)[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000267403832 526094213 /nfs/dbraw/zinc/09/42/13/526094213.db2.gz RJYXAHISUXQAIY-MRXNPFEDSA-N 2 2 318.424 3.993 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000267403832 526094215 /nfs/dbraw/zinc/09/42/15/526094215.db2.gz RJYXAHISUXQAIY-MRXNPFEDSA-N 2 2 318.424 3.993 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189179886 526152852 /nfs/dbraw/zinc/15/28/52/526152852.db2.gz VSKRJDJMZUKGQN-QFBILLFUSA-N 2 2 313.489 3.919 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)[nH]1 ZINC000267406145 526409033 /nfs/dbraw/zinc/40/90/33/526409033.db2.gz HBOSYNQSCHONEP-LBPRGKRZSA-N 2 2 314.414 3.506 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)[nH]1 ZINC000267406145 526409041 /nfs/dbraw/zinc/40/90/41/526409041.db2.gz HBOSYNQSCHONEP-LBPRGKRZSA-N 2 2 314.414 3.506 20 0 DHADLP Fc1ccccc1SCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267448679 526417065 /nfs/dbraw/zinc/41/70/65/526417065.db2.gz QUCBIFCJSWPUMA-ZDUSSCGKSA-N 2 2 305.422 3.521 20 0 DHADLP Fc1ccccc1SCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267448679 526417068 /nfs/dbraw/zinc/41/70/68/526417068.db2.gz QUCBIFCJSWPUMA-ZDUSSCGKSA-N 2 2 305.422 3.521 20 0 DHADLP c1cc2[nH+]ccc(NCc3cc[nH+]c(N4CCCC4)c3)c2s1 ZINC000266187495 526450794 /nfs/dbraw/zinc/45/07/94/526450794.db2.gz XKRLXKUOCICDPP-UHFFFAOYSA-N 2 2 310.426 3.904 20 0 DHADLP c1cn2c(cccc2C[N@@H+]2CCS[C@H](c3ccccc3)C2)[nH+]1 ZINC000364899939 526537477 /nfs/dbraw/zinc/53/74/77/526537477.db2.gz FOOIYNQUFANFOG-KRWDZBQOSA-N 2 2 309.438 3.624 20 0 DHADLP c1cn2c(cccc2C[N@H+]2CCS[C@H](c3ccccc3)C2)[nH+]1 ZINC000364899939 526537485 /nfs/dbraw/zinc/53/74/85/526537485.db2.gz FOOIYNQUFANFOG-KRWDZBQOSA-N 2 2 309.438 3.624 20 0 DHADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266918585 526740314 /nfs/dbraw/zinc/74/03/14/526740314.db2.gz LFQMJULCCZXNFT-MRXNPFEDSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266918585 526740317 /nfs/dbraw/zinc/74/03/17/526740317.db2.gz LFQMJULCCZXNFT-MRXNPFEDSA-N 2 2 322.412 3.753 20 0 DHADLP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000367748560 526965949 /nfs/dbraw/zinc/96/59/49/526965949.db2.gz IYNCIHZPDPJCII-QGZVFWFLSA-N 2 2 320.864 3.770 20 0 DHADLP Clc1ccc2[nH+]ccc(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000265101258 526971128 /nfs/dbraw/zinc/97/11/28/526971128.db2.gz FAQRPUIPLJTHSK-UHFFFAOYSA-N 2 2 312.804 3.926 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1cncs1 ZINC000155860138 527167152 /nfs/dbraw/zinc/16/71/52/527167152.db2.gz RDYYDIZHYTYVQU-GFCCVEGCSA-N 2 2 300.431 3.542 20 0 DHADLP CCCc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc(C)[nH+]1 ZINC001165049594 721973138 /nfs/dbraw/zinc/97/31/38/721973138.db2.gz QQPRZRGBGPXTRO-GOSISDBHSA-N 2 2 316.493 3.582 20 0 DHADLP C[NH2+]Cc1cn(-c2[nH+]c(C)cc3[nH]ccc32)c2ccc(C)cc12 ZINC001167122775 1013225059 /nfs/dbraw/zinc/22/50/59/1013225059.db2.gz CEWOAYVVWCHJBT-UHFFFAOYSA-N 2 2 304.397 3.843 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155127976 1013232496 /nfs/dbraw/zinc/23/24/96/1013232496.db2.gz OFDUOCJNYXHYIP-LSDHHAIUSA-N 2 2 301.434 3.727 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)cnc1Cl ZINC000894479173 1013383087 /nfs/dbraw/zinc/38/30/87/1013383087.db2.gz LJKXLHBKCZYZOP-UHFFFAOYSA-N 2 2 320.868 3.715 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C)cnc1Cl ZINC000894479173 1013383099 /nfs/dbraw/zinc/38/30/99/1013383099.db2.gz LJKXLHBKCZYZOP-UHFFFAOYSA-N 2 2 320.868 3.715 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccc3oc4ccccc4c3c1)C2 ZINC000894546981 1013415162 /nfs/dbraw/zinc/41/51/62/1013415162.db2.gz OBBHKEGOXIQMNJ-AWEZNQCLSA-N 2 2 317.392 3.956 20 0 DHADLP C[NH+](C)c1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237148116 1013550963 /nfs/dbraw/zinc/55/09/63/1013550963.db2.gz IZTWYNVJNYEDBK-IBGZPJMESA-N 2 2 309.457 3.829 20 0 DHADLP C[NH+](C)c1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237148116 1013550970 /nfs/dbraw/zinc/55/09/70/1013550970.db2.gz IZTWYNVJNYEDBK-IBGZPJMESA-N 2 2 309.457 3.829 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1CCC(C3CCCCC3)CC1)CC2 ZINC000683471583 1013572318 /nfs/dbraw/zinc/57/23/18/1013572318.db2.gz WKGNUEOWVWMXPR-DAWZGUTISA-N 2 2 301.478 3.927 20 0 DHADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655708987 1013656225 /nfs/dbraw/zinc/65/62/25/1013656225.db2.gz RCMRFTXYARJSDD-MOPGFXCFSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@@H](CCC1CCCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655715144 1013659926 /nfs/dbraw/zinc/65/99/26/1013659926.db2.gz HZPWDQOZCRGRPQ-LPHOPBHVSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000655832433 1013747803 /nfs/dbraw/zinc/74/78/03/1013747803.db2.gz XAZAWNXEJNUDJG-YLJYHZDGSA-N 2 2 323.484 3.655 20 0 DHADLP C[C@H](Cc1ccccn1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000655832433 1013747810 /nfs/dbraw/zinc/74/78/10/1013747810.db2.gz XAZAWNXEJNUDJG-YLJYHZDGSA-N 2 2 323.484 3.655 20 0 DHADLP Fc1ccccc1C1CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655848123 1013774493 /nfs/dbraw/zinc/77/44/93/1013774493.db2.gz BVEZYILRVAZJAN-NRERDWFFSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccccc1C1CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655848123 1013774495 /nfs/dbraw/zinc/77/44/95/1013774495.db2.gz BVEZYILRVAZJAN-NRERDWFFSA-N 2 2 302.437 3.678 20 0 DHADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cnn1C(C)(C)C ZINC000655848815 1013778711 /nfs/dbraw/zinc/77/87/11/1013778711.db2.gz LFVDPTAMCMLEJK-WBAXXEDZSA-N 2 2 318.509 3.614 20 0 DHADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cnn1C(C)(C)C ZINC000655848815 1013778715 /nfs/dbraw/zinc/77/87/15/1013778715.db2.gz LFVDPTAMCMLEJK-WBAXXEDZSA-N 2 2 318.509 3.614 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCCO1 ZINC000655850630 1013778868 /nfs/dbraw/zinc/77/88/68/1013778868.db2.gz XZUNPJRIDDTKST-SNRMKQJTSA-N 2 2 313.445 3.871 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000655851020 1013779102 /nfs/dbraw/zinc/77/91/02/1013779102.db2.gz OLSYAXLDCKCKTE-ZYSHUDEJSA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000655851020 1013779106 /nfs/dbraw/zinc/77/91/06/1013779106.db2.gz OLSYAXLDCKCKTE-ZYSHUDEJSA-N 2 2 302.462 3.671 20 0 DHADLP Fc1ccc2c(c1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001167994738 1013779145 /nfs/dbraw/zinc/77/91/45/1013779145.db2.gz MRRQOODTESVUFU-YOFSQIOKSA-N 2 2 314.448 3.589 20 0 DHADLP Fc1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001167994738 1013779153 /nfs/dbraw/zinc/77/91/53/1013779153.db2.gz MRRQOODTESVUFU-YOFSQIOKSA-N 2 2 314.448 3.589 20 0 DHADLP Fc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167994738 1013779164 /nfs/dbraw/zinc/77/91/64/1013779164.db2.gz MRRQOODTESVUFU-YOFSQIOKSA-N 2 2 314.448 3.589 20 0 DHADLP Fc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167994738 1013779172 /nfs/dbraw/zinc/77/91/72/1013779172.db2.gz MRRQOODTESVUFU-YOFSQIOKSA-N 2 2 314.448 3.589 20 0 DHADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1SC ZINC000655855989 1013786049 /nfs/dbraw/zinc/78/60/49/1013786049.db2.gz KFESMLNUPFMZKW-HOTGVXAUSA-N 2 2 320.502 3.524 20 0 DHADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1SC ZINC000655855989 1013786055 /nfs/dbraw/zinc/78/60/55/1013786055.db2.gz KFESMLNUPFMZKW-HOTGVXAUSA-N 2 2 320.502 3.524 20 0 DHADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1SC ZINC000655855988 1013786588 /nfs/dbraw/zinc/78/65/88/1013786588.db2.gz KFESMLNUPFMZKW-CVEARBPZSA-N 2 2 320.502 3.524 20 0 DHADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1SC ZINC000655855988 1013786591 /nfs/dbraw/zinc/78/65/91/1013786591.db2.gz KFESMLNUPFMZKW-CVEARBPZSA-N 2 2 320.502 3.524 20 0 DHADLP Cc1nc2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2s1 ZINC000655856736 1013787260 /nfs/dbraw/zinc/78/72/60/1013787260.db2.gz OYYSQNQCNXNQPH-DOTOQJQBSA-N 2 2 315.486 3.711 20 0 DHADLP Cc1nc2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2s1 ZINC000655856736 1013787262 /nfs/dbraw/zinc/78/72/62/1013787262.db2.gz OYYSQNQCNXNQPH-DOTOQJQBSA-N 2 2 315.486 3.711 20 0 DHADLP C[C@H](CC[NH2+][C@@H](C)c1ccncc1F)[N@H+](C)Cc1ccccc1 ZINC000340525243 1013916749 /nfs/dbraw/zinc/91/67/49/1013916749.db2.gz KLHPPWBDNGLRPN-CVEARBPZSA-N 2 2 315.436 3.782 20 0 DHADLP C[C@H](CC[NH2+][C@@H](C)c1ccncc1F)[N@@H+](C)Cc1ccccc1 ZINC000340525243 1013916752 /nfs/dbraw/zinc/91/67/52/1013916752.db2.gz KLHPPWBDNGLRPN-CVEARBPZSA-N 2 2 315.436 3.782 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)C(C)C)n1C ZINC000580096410 1014028234 /nfs/dbraw/zinc/02/82/34/1014028234.db2.gz DKPHAOQMAHZQPQ-QGZVFWFLSA-N 2 2 305.853 3.911 20 0 DHADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000303238953 1014071733 /nfs/dbraw/zinc/07/17/33/1014071733.db2.gz VUOOIPHZVQWSQI-CQSZACIVSA-N 2 2 313.445 3.607 20 0 DHADLP Clc1ccccc1C1([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000651974568 1014250398 /nfs/dbraw/zinc/25/03/98/1014250398.db2.gz IAUYKRDQVKIREB-LSDHHAIUSA-N 2 2 304.865 3.936 20 0 DHADLP Clc1ccccc1C1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000651974568 1014250408 /nfs/dbraw/zinc/25/04/08/1014250408.db2.gz IAUYKRDQVKIREB-LSDHHAIUSA-N 2 2 304.865 3.936 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000580639826 1014265276 /nfs/dbraw/zinc/26/52/76/1014265276.db2.gz OMBYVAOQXVTNDT-GUDVDZBRSA-N 2 2 309.457 3.706 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000262010503 1014266873 /nfs/dbraw/zinc/26/68/73/1014266873.db2.gz WHBMAOGUNGLBPM-HNNXBMFYSA-N 2 2 319.836 3.698 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000262010503 1014266886 /nfs/dbraw/zinc/26/68/86/1014266886.db2.gz WHBMAOGUNGLBPM-HNNXBMFYSA-N 2 2 319.836 3.698 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000656276811 1014300002 /nfs/dbraw/zinc/30/00/02/1014300002.db2.gz INNDOJXBWWRVQU-SJROMKODSA-N 2 2 320.427 3.817 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000656276811 1014300012 /nfs/dbraw/zinc/30/00/12/1014300012.db2.gz INNDOJXBWWRVQU-SJROMKODSA-N 2 2 320.427 3.817 20 0 DHADLP C[C@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000134166551 1014336565 /nfs/dbraw/zinc/33/65/65/1014336565.db2.gz YRSRROHKKWFIRP-UGSOOPFHSA-N 2 2 310.376 3.658 20 0 DHADLP Cc1cccnc1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168005706 1014406365 /nfs/dbraw/zinc/40/63/65/1014406365.db2.gz KDXJCIHJKOETCA-QZTJIDSGSA-N 2 2 323.484 3.921 20 0 DHADLP Cc1sccc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111223 1014438608 /nfs/dbraw/zinc/43/86/08/1014438608.db2.gz CDCPCYCMEDCBAX-WKILWMFISA-N 2 2 301.459 3.728 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1Cl ZINC000427844121 1014536777 /nfs/dbraw/zinc/53/67/77/1014536777.db2.gz NMIPMAYXKBUATG-PWSUYJOCSA-N 2 2 310.228 3.856 20 0 DHADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427876175 1014539383 /nfs/dbraw/zinc/53/93/83/1014539383.db2.gz VCMXHFDZNRBBPQ-XHDPSFHLSA-N 2 2 322.239 3.782 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427875510 1014539702 /nfs/dbraw/zinc/53/97/02/1014539702.db2.gz KCIVBEBWOGLZMD-LRDDRELGSA-N 2 2 301.821 3.519 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1OC ZINC000427867471 1014545807 /nfs/dbraw/zinc/54/58/07/1014545807.db2.gz BRHBPXYMFZXFBY-UKRRQHHQSA-N 2 2 319.836 3.601 20 0 DHADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(OCc2ccccc2)c1 ZINC000665276605 1014651502 /nfs/dbraw/zinc/65/15/02/1014651502.db2.gz HSAYTQXKRMJMFD-AFJQURTJSA-N 2 2 322.452 3.668 20 0 DHADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(OCc2ccccc2)c1 ZINC000665276606 1014651864 /nfs/dbraw/zinc/65/18/64/1014651864.db2.gz HSAYTQXKRMJMFD-SRWJYRBRSA-N 2 2 322.452 3.668 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CCCS2 ZINC000665277896 1014653379 /nfs/dbraw/zinc/65/33/79/1014653379.db2.gz ORKYCHPUCQXVFM-OFWKBQFLSA-N 2 2 308.878 3.609 20 0 DHADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000665295312 1014743117 /nfs/dbraw/zinc/74/31/17/1014743117.db2.gz BTRZIYAQFRYOBA-FZMZJTMJSA-N 2 2 319.449 3.524 20 0 DHADLP COC1CCC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000442892625 1014766571 /nfs/dbraw/zinc/76/65/71/1014766571.db2.gz VQLUWQIXSPBHCI-UHFFFAOYSA-N 2 2 308.510 3.580 20 0 DHADLP CCCC1CCC([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000521844052 1014814415 /nfs/dbraw/zinc/81/44/15/1014814415.db2.gz JIISNUCFZFKMEN-UHFFFAOYSA-N 2 2 310.526 3.824 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000581426636 1014844288 /nfs/dbraw/zinc/84/42/88/1014844288.db2.gz ZLZXFZXULKHEMV-UHFFFAOYSA-N 2 2 309.457 3.855 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456661 1014871279 /nfs/dbraw/zinc/87/12/79/1014871279.db2.gz PCWDASJKDHBGKJ-IUODEOHRSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456661 1014871286 /nfs/dbraw/zinc/87/12/86/1014871286.db2.gz PCWDASJKDHBGKJ-IUODEOHRSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456661 1014871298 /nfs/dbraw/zinc/87/12/98/1014871298.db2.gz PCWDASJKDHBGKJ-IUODEOHRSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456661 1014871311 /nfs/dbraw/zinc/87/13/11/1014871311.db2.gz PCWDASJKDHBGKJ-IUODEOHRSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cncnc1 ZINC001168016979 1014917948 /nfs/dbraw/zinc/91/79/48/1014917948.db2.gz WPCHZGCBAXHLBB-AXVVYFOYSA-N 2 2 324.472 3.569 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cncnc1 ZINC001168016979 1014917958 /nfs/dbraw/zinc/91/79/58/1014917958.db2.gz WPCHZGCBAXHLBB-AXVVYFOYSA-N 2 2 324.472 3.569 20 0 DHADLP Cc1c[nH+]c(CNc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1C ZINC000341152138 1014939255 /nfs/dbraw/zinc/93/92/55/1014939255.db2.gz VNKWPMLSGHWHLA-HNNXBMFYSA-N 2 2 312.461 3.715 20 0 DHADLP Cc1c[nH+]c(CNc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1C ZINC000341152138 1014939266 /nfs/dbraw/zinc/93/92/66/1014939266.db2.gz VNKWPMLSGHWHLA-HNNXBMFYSA-N 2 2 312.461 3.715 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)c1ccccc1 ZINC000581598397 1015035517 /nfs/dbraw/zinc/03/55/17/1015035517.db2.gz GFYSKMUNRPFPBB-UHOSZYNNSA-N 2 2 304.478 3.617 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895707284 1015267315 /nfs/dbraw/zinc/26/73/15/1015267315.db2.gz PVEBYJSATQOYEW-OXQOHEQNSA-N 2 2 321.424 3.551 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000573387034 1015384048 /nfs/dbraw/zinc/38/40/48/1015384048.db2.gz YJQBGKHBHNWKPO-RRFJBIMHSA-N 2 2 306.416 3.818 20 0 DHADLP CC(C)Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000891561977 1015392819 /nfs/dbraw/zinc/39/28/19/1015392819.db2.gz OQNCEFWCHGLVKP-UHFFFAOYSA-N 2 2 303.494 3.585 20 0 DHADLP CC(C)Cc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000891561977 1015392826 /nfs/dbraw/zinc/39/28/26/1015392826.db2.gz OQNCEFWCHGLVKP-UHFFFAOYSA-N 2 2 303.494 3.585 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000474488421 1015391503 /nfs/dbraw/zinc/39/15/03/1015391503.db2.gz MSRXOXWJJXRXAV-RYRKJORJSA-N 2 2 306.494 3.753 20 0 DHADLP c1ccc(NC2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)[nH+]c1 ZINC000896196157 1015496589 /nfs/dbraw/zinc/49/65/89/1015496589.db2.gz YMIYYWPODLIDJR-MRXNPFEDSA-N 2 2 323.440 3.524 20 0 DHADLP CCn1c[nH+]c2c1CCN(c1c(C)c(C)[nH+]c3ccccc31)C2 ZINC000896658905 1015695312 /nfs/dbraw/zinc/69/53/12/1015695312.db2.gz BRJPABHYQZPYBO-UHFFFAOYSA-N 2 2 306.413 3.631 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474927940 1015709287 /nfs/dbraw/zinc/70/92/87/1015709287.db2.gz SCZICKOAEKGPGQ-MROQNXINSA-N 2 2 321.877 3.695 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000133149870 1015773917 /nfs/dbraw/zinc/77/39/17/1015773917.db2.gz WMYUHQMZELBZHB-UHFFFAOYSA-N 2 2 304.821 3.803 20 0 DHADLP CCSC[C@@H](C)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001173309110 1033663968 /nfs/dbraw/zinc/66/39/68/1033663968.db2.gz QFPJEMIZDAXWPG-OAHLLOKOSA-N 2 2 324.509 3.864 20 0 DHADLP CCSC[C@@H](C)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001173309110 1033663977 /nfs/dbraw/zinc/66/39/77/1033663977.db2.gz QFPJEMIZDAXWPG-OAHLLOKOSA-N 2 2 324.509 3.864 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000535808772 1015837093 /nfs/dbraw/zinc/83/70/93/1015837093.db2.gz VQXQPIBVQHJISA-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000535808772 1015837095 /nfs/dbraw/zinc/83/70/95/1015837095.db2.gz VQXQPIBVQHJISA-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000535808772 1015837097 /nfs/dbraw/zinc/83/70/97/1015837097.db2.gz VQXQPIBVQHJISA-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000535808772 1015837100 /nfs/dbraw/zinc/83/71/00/1015837100.db2.gz VQXQPIBVQHJISA-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000361865442 1032133799 /nfs/dbraw/zinc/13/37/99/1032133799.db2.gz NSKRQFWQYPFDLY-UHFFFAOYSA-N 2 2 321.346 3.875 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000361865442 1032133804 /nfs/dbraw/zinc/13/38/04/1032133804.db2.gz NSKRQFWQYPFDLY-UHFFFAOYSA-N 2 2 321.346 3.875 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000151012898 1016011693 /nfs/dbraw/zinc/01/16/93/1016011693.db2.gz YPBWYUBHTFSZHE-RDJZCZTQSA-N 2 2 323.440 3.542 20 0 DHADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151326716 1016035897 /nfs/dbraw/zinc/03/58/97/1016035897.db2.gz NHWQSTFQBGKBHA-KKSFZXQISA-N 2 2 317.436 3.955 20 0 DHADLP CCc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000151365804 1016036702 /nfs/dbraw/zinc/03/67/02/1016036702.db2.gz HKBUYIRJRLZLLS-HNNXBMFYSA-N 2 2 309.413 3.938 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277319314 1016195742 /nfs/dbraw/zinc/19/57/42/1016195742.db2.gz CBDHIHGPYQUHDV-OAHLLOKOSA-N 2 2 312.404 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277319314 1016195747 /nfs/dbraw/zinc/19/57/47/1016195747.db2.gz CBDHIHGPYQUHDV-OAHLLOKOSA-N 2 2 312.404 3.513 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1F ZINC000152089838 1016335673 /nfs/dbraw/zinc/33/56/73/1016335673.db2.gz VQDPDGOEZBNPGW-HNNXBMFYSA-N 2 2 309.388 3.921 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC(C(F)(F)F)CC1)CCC2 ZINC000361898106 1032147062 /nfs/dbraw/zinc/14/70/62/1032147062.db2.gz ZQIUVUZHDDXUSN-IYXRBSQSSA-N 2 2 315.383 3.780 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCCC12CC2 ZINC000582312581 1016580761 /nfs/dbraw/zinc/58/07/61/1016580761.db2.gz CTILLLBECKBSAN-MRXNPFEDSA-N 2 2 301.821 3.948 20 0 DHADLP CO[C@H]1CC[N@H+](Cc2cccc(-c3ccc(C)cc3)c2)[C@@H](C[NH3+])C1 ZINC000346844003 1016600918 /nfs/dbraw/zinc/60/09/18/1016600918.db2.gz KMRPBQGPVFWEQM-RTWAWAEBSA-N 2 2 324.468 3.600 20 0 DHADLP CO[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(C)cc3)c2)[C@@H](C[NH3+])C1 ZINC000346844003 1016600920 /nfs/dbraw/zinc/60/09/20/1016600920.db2.gz KMRPBQGPVFWEQM-RTWAWAEBSA-N 2 2 324.468 3.600 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657414064 1016685315 /nfs/dbraw/zinc/68/53/15/1016685315.db2.gz UEYUQMSXBJJCSY-ZDUSSCGKSA-N 2 2 314.395 3.562 20 0 DHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657414064 1016685320 /nfs/dbraw/zinc/68/53/20/1016685320.db2.gz UEYUQMSXBJJCSY-ZDUSSCGKSA-N 2 2 314.395 3.562 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347094180 1016726666 /nfs/dbraw/zinc/72/66/66/1016726666.db2.gz QNCYIMJCGUBTFA-HIFRSBDPSA-N 2 2 302.805 3.949 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347094180 1016726682 /nfs/dbraw/zinc/72/66/82/1016726682.db2.gz QNCYIMJCGUBTFA-HIFRSBDPSA-N 2 2 302.805 3.949 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000172847889 1016742064 /nfs/dbraw/zinc/74/20/64/1016742064.db2.gz WAAYWJGVWDHTGP-DGCLKSJQSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000172847889 1016742081 /nfs/dbraw/zinc/74/20/81/1016742081.db2.gz WAAYWJGVWDHTGP-DGCLKSJQSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000172847889 1016742096 /nfs/dbraw/zinc/74/20/96/1016742096.db2.gz WAAYWJGVWDHTGP-DGCLKSJQSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000172847889 1016742100 /nfs/dbraw/zinc/74/21/00/1016742100.db2.gz WAAYWJGVWDHTGP-DGCLKSJQSA-N 2 2 301.261 3.908 20 0 DHADLP CC[N@@H+](Cc1cccc(C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000342594066 1016823641 /nfs/dbraw/zinc/82/36/41/1016823641.db2.gz FTQIIDMBTZLNJG-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP CC[N@H+](Cc1cccc(C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000342594066 1016823672 /nfs/dbraw/zinc/82/36/72/1016823672.db2.gz FTQIIDMBTZLNJG-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168053565 1016929630 /nfs/dbraw/zinc/92/96/30/1016929630.db2.gz PEKQNJPPPQNVEM-IZZQQSIFSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053565 1016929644 /nfs/dbraw/zinc/92/96/44/1016929644.db2.gz PEKQNJPPPQNVEM-IZZQQSIFSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+]2CCOCC2(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053565 1016929657 /nfs/dbraw/zinc/92/96/57/1016929657.db2.gz PEKQNJPPPQNVEM-IZZQQSIFSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+]2CCOCC2(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053565 1016929665 /nfs/dbraw/zinc/92/96/65/1016929665.db2.gz PEKQNJPPPQNVEM-IZZQQSIFSA-N 2 2 316.489 3.539 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CC1(C)C ZINC000623384977 1017008803 /nfs/dbraw/zinc/00/88/03/1017008803.db2.gz VTFXBETVIAERGV-LBPRGKRZSA-N 2 2 301.261 3.956 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CC1(C)C ZINC000623384977 1017008815 /nfs/dbraw/zinc/00/88/15/1017008815.db2.gz VTFXBETVIAERGV-LBPRGKRZSA-N 2 2 301.261 3.956 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152827221 1017023735 /nfs/dbraw/zinc/02/37/35/1017023735.db2.gz GFCPRMLRKLWHGD-OAHLLOKOSA-N 2 2 313.445 3.511 20 0 DHADLP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000361912636 1032153465 /nfs/dbraw/zinc/15/34/65/1032153465.db2.gz BVTKDDNIGWWYHI-HZPDHXFCSA-N 2 2 319.474 3.616 20 0 DHADLP CC(C)C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000362032716 1032202794 /nfs/dbraw/zinc/20/27/94/1032202794.db2.gz PIAZTDKHPLQJRD-IBGZPJMESA-N 2 2 324.472 3.822 20 0 DHADLP [NH3+][C@H]1C[C@@H](C(F)(F)F)C[N@@H+](C2CCC3(CCCC3)CC2)C1 ZINC001246828148 1032209894 /nfs/dbraw/zinc/20/98/94/1032209894.db2.gz YBMFDCIJNSRZNN-OLZOCXBDSA-N 2 2 304.400 3.701 20 0 DHADLP [NH3+][C@H]1C[C@@H](C(F)(F)F)C[N@H+](C2CCC3(CCCC3)CC2)C1 ZINC001246828148 1032209907 /nfs/dbraw/zinc/20/99/07/1032209907.db2.gz YBMFDCIJNSRZNN-OLZOCXBDSA-N 2 2 304.400 3.701 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000322732606 1032228970 /nfs/dbraw/zinc/22/89/70/1032228970.db2.gz VWNNROGUMXLWHQ-QZTJIDSGSA-N 2 2 313.445 3.671 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000362158511 1032253182 /nfs/dbraw/zinc/25/31/82/1032253182.db2.gz YEMSEQCIFKUMBC-WIYYLYMNSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000362158511 1032253196 /nfs/dbraw/zinc/25/31/96/1032253196.db2.gz YEMSEQCIFKUMBC-WIYYLYMNSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ccncc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000362158511 1032253206 /nfs/dbraw/zinc/25/32/06/1032253206.db2.gz YEMSEQCIFKUMBC-WIYYLYMNSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ccncc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000362158511 1032253218 /nfs/dbraw/zinc/25/32/18/1032253218.db2.gz YEMSEQCIFKUMBC-WIYYLYMNSA-N 2 2 323.484 3.732 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246905815 1032268009 /nfs/dbraw/zinc/26/80/09/1032268009.db2.gz AADQQZKQSBWAGJ-CZUORRHYSA-N 2 2 312.910 3.895 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001246905815 1032268021 /nfs/dbraw/zinc/26/80/21/1032268021.db2.gz AADQQZKQSBWAGJ-CZUORRHYSA-N 2 2 312.910 3.895 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCC2CC2)C[C@H]1C ZINC000537616637 1032288206 /nfs/dbraw/zinc/28/82/06/1032288206.db2.gz UMDPWVYEXHOCGH-APWZRJJASA-N 2 2 316.489 3.780 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCC2CC2)C[C@H]1C ZINC000537616637 1032288217 /nfs/dbraw/zinc/28/82/17/1032288217.db2.gz UMDPWVYEXHOCGH-APWZRJJASA-N 2 2 316.489 3.780 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OCC2CC2)C[C@H]1C ZINC000537616637 1032288224 /nfs/dbraw/zinc/28/82/24/1032288224.db2.gz UMDPWVYEXHOCGH-APWZRJJASA-N 2 2 316.489 3.780 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OCC2CC2)C[C@H]1C ZINC000537616637 1032288238 /nfs/dbraw/zinc/28/82/38/1032288238.db2.gz UMDPWVYEXHOCGH-APWZRJJASA-N 2 2 316.489 3.780 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@H+](C)[C@H]1CCCC[NH2+]C1 ZINC001247005231 1032356499 /nfs/dbraw/zinc/35/64/99/1032356499.db2.gz VIVXHGFDPVKZFR-WFASDCNBSA-N 2 2 311.267 3.584 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@@H+](C)[C@H]1CCCC[NH2+]C1 ZINC001247005231 1032356512 /nfs/dbraw/zinc/35/65/12/1032356512.db2.gz VIVXHGFDPVKZFR-WFASDCNBSA-N 2 2 311.267 3.584 20 0 DHADLP CC(C)n1c[nH+]cc1CNc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000424192798 1011941836 /nfs/dbraw/zinc/94/18/36/1011941836.db2.gz PRRKGCHCCYBPHT-UHFFFAOYSA-N 2 2 306.841 3.791 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Cl)ccc1OC(F)F ZINC000424372174 1012012370 /nfs/dbraw/zinc/01/23/70/1012012370.db2.gz HIKXRILVHVNZPY-ZWKOPEQDSA-N 2 2 318.795 3.862 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)cc1F ZINC000424378512 1012014838 /nfs/dbraw/zinc/01/48/38/1012014838.db2.gz SVQPUXNPUYFIBU-OWYVNGRQSA-N 2 2 315.230 3.509 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000643543640 1012050843 /nfs/dbraw/zinc/05/08/43/1012050843.db2.gz RXLSDEGULBNRID-SLYNCCJLSA-N 2 2 323.484 3.960 20 0 DHADLP FC(F)Oc1ccc(Cl)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000035224292 1012177106 /nfs/dbraw/zinc/17/71/06/1012177106.db2.gz VPIJPNJULFGZDM-UHFFFAOYSA-N 2 2 318.795 3.517 20 0 DHADLP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(Br)s1 ZINC000513964424 1012235900 /nfs/dbraw/zinc/23/59/00/1012235900.db2.gz IBEXXYZMDOQRDL-UHFFFAOYSA-N 2 2 319.312 3.674 20 0 DHADLP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(Br)s1 ZINC000513964424 1012235913 /nfs/dbraw/zinc/23/59/13/1012235913.db2.gz IBEXXYZMDOQRDL-UHFFFAOYSA-N 2 2 319.312 3.674 20 0 DHADLP Cc1nc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)s1 ZINC000037156045 1032640922 /nfs/dbraw/zinc/64/09/22/1032640922.db2.gz PRQXFULERAANSK-SMDDNHRTSA-N 2 2 306.479 3.722 20 0 DHADLP Cc1nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)cc(C(C)C)[nH+]1 ZINC001167085557 1012746603 /nfs/dbraw/zinc/74/66/03/1012746603.db2.gz QQYRILBOCZXBQC-UHFFFAOYSA-N 2 2 324.403 3.637 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)C[NH+](C)C ZINC000425945367 1012991733 /nfs/dbraw/zinc/99/17/33/1012991733.db2.gz QNZSEQKNPSCDPY-YGRLFVJLSA-N 2 2 301.261 3.768 20 0 DHADLP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000897229493 1017178865 /nfs/dbraw/zinc/17/88/65/1017178865.db2.gz UDLQZDCZGKIOPR-HKUYNNGSSA-N 2 2 308.510 3.602 20 0 DHADLP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000897229493 1017178867 /nfs/dbraw/zinc/17/88/67/1017178867.db2.gz UDLQZDCZGKIOPR-HKUYNNGSSA-N 2 2 308.510 3.602 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)CCO1 ZINC001168072630 1017440197 /nfs/dbraw/zinc/44/01/97/1017440197.db2.gz VMGXRIMHHUTRRC-HUYLIWGRSA-N 2 2 310.441 3.585 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)CCO1 ZINC001168072633 1017440821 /nfs/dbraw/zinc/44/08/21/1017440821.db2.gz VMGXRIMHHUTRRC-YGWPLHOASA-N 2 2 310.441 3.585 20 0 DHADLP CCC[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000624048025 1017656941 /nfs/dbraw/zinc/65/69/41/1017656941.db2.gz AGNDGVIBSQDVBF-CRAIPNDOSA-N 2 2 301.434 3.728 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119907470 1017668425 /nfs/dbraw/zinc/66/84/25/1017668425.db2.gz KPSBUINJTBEGJT-INIZCTEOSA-N 2 2 320.440 3.789 20 0 DHADLP CCCCc1nc(N2C(C)(C)CC([NH3+])CC2(C)C)cc(C)[nH+]1 ZINC001167625548 1017717512 /nfs/dbraw/zinc/71/75/12/1017717512.db2.gz LZXNHODHMDWDJS-UHFFFAOYSA-N 2 2 304.482 3.612 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171458165 1032720309 /nfs/dbraw/zinc/72/03/09/1032720309.db2.gz JCXWDGBUWCFXMM-YOEHRIQHSA-N 2 2 322.443 3.532 20 0 DHADLP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000625681283 1017760737 /nfs/dbraw/zinc/76/07/37/1017760737.db2.gz OALXWIBWFCEPIC-IYBDPMFKSA-N 2 2 303.356 3.634 20 0 DHADLP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000625681283 1017760757 /nfs/dbraw/zinc/76/07/57/1017760757.db2.gz OALXWIBWFCEPIC-IYBDPMFKSA-N 2 2 303.356 3.634 20 0 DHADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000624256338 1017947074 /nfs/dbraw/zinc/94/70/74/1017947074.db2.gz NRZDIPYMZAXBLF-SFHVURJKSA-N 2 2 316.489 3.633 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000183032051 1017985179 /nfs/dbraw/zinc/98/51/79/1017985179.db2.gz DJRZFDWLJYZQPH-XJKCOSOUSA-N 2 2 318.852 3.666 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000183032051 1017985182 /nfs/dbraw/zinc/98/51/82/1017985182.db2.gz DJRZFDWLJYZQPH-XJKCOSOUSA-N 2 2 318.852 3.666 20 0 DHADLP c1ccc([C@H]2CCC[C@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000162819484 1032738739 /nfs/dbraw/zinc/73/87/39/1032738739.db2.gz NPKOLJQGBDVMQI-WOJBJXKFSA-N 2 2 321.468 3.976 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150757339 1018058227 /nfs/dbraw/zinc/05/82/27/1018058227.db2.gz BOSMOKQYRVWYFW-RDTXWAMCSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150757339 1018058238 /nfs/dbraw/zinc/05/82/38/1018058238.db2.gz BOSMOKQYRVWYFW-RDTXWAMCSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C2(C)CC2)CCOCC1)c1ccccc1 ZINC000153979494 1018084967 /nfs/dbraw/zinc/08/49/67/1018084967.db2.gz OIEZMCQOVZKJDX-IRXDYDNUSA-N 2 2 316.489 3.665 20 0 DHADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC001172873111 1033444790 /nfs/dbraw/zinc/44/47/90/1033444790.db2.gz GBECKGAQNRECHR-KGLIPLIRSA-N 2 2 312.910 3.895 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000368581939 1018101479 /nfs/dbraw/zinc/10/14/79/1018101479.db2.gz ILWWDRFPTXPNAX-NVXWUHKLSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000368581939 1018101484 /nfs/dbraw/zinc/10/14/84/1018101484.db2.gz ILWWDRFPTXPNAX-NVXWUHKLSA-N 2 2 315.486 3.706 20 0 DHADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)sc1C ZINC000185683222 1018125788 /nfs/dbraw/zinc/12/57/88/1018125788.db2.gz UQEPQXUOTFMPHL-ZFWWWQNUSA-N 2 2 307.507 3.503 20 0 DHADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)sc1C ZINC000185683222 1018125796 /nfs/dbraw/zinc/12/57/96/1018125796.db2.gz UQEPQXUOTFMPHL-ZFWWWQNUSA-N 2 2 307.507 3.503 20 0 DHADLP CC[N@H+](Cc1cc(Cl)ccc1SC)C1CC[NH+](C)CC1 ZINC001238673076 1018155655 /nfs/dbraw/zinc/15/56/55/1018155655.db2.gz IEFSGCLVIFFBJG-UHFFFAOYSA-N 2 2 312.910 3.978 20 0 DHADLP CC[N@@H+](Cc1cc(Cl)ccc1SC)C1CC[NH+](C)CC1 ZINC001238673076 1018155657 /nfs/dbraw/zinc/15/56/57/1018155657.db2.gz IEFSGCLVIFFBJG-UHFFFAOYSA-N 2 2 312.910 3.978 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1 ZINC000525195460 1018198789 /nfs/dbraw/zinc/19/87/89/1018198789.db2.gz AABYWSLVPSYYBN-ZBFHGGJFSA-N 2 2 315.486 3.691 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1 ZINC000525195460 1018198796 /nfs/dbraw/zinc/19/87/96/1018198796.db2.gz AABYWSLVPSYYBN-ZBFHGGJFSA-N 2 2 315.486 3.691 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)s2)cc1 ZINC000525195458 1018198911 /nfs/dbraw/zinc/19/89/11/1018198911.db2.gz AABYWSLVPSYYBN-GOEBONIOSA-N 2 2 315.486 3.691 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cc1 ZINC000525195458 1018198932 /nfs/dbraw/zinc/19/89/32/1018198932.db2.gz AABYWSLVPSYYBN-GOEBONIOSA-N 2 2 315.486 3.691 20 0 DHADLP COc1ccc([C@@H](CCC(C)C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155642878 1018323806 /nfs/dbraw/zinc/32/38/06/1018323806.db2.gz COYQLYGKOKHDNL-GOSISDBHSA-N 2 2 301.434 3.659 20 0 DHADLP CCO[C@H](CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000155732396 1018335163 /nfs/dbraw/zinc/33/51/63/1018335163.db2.gz CZJXFBDPCAPQNI-VQIMIIECSA-N 2 2 315.461 3.974 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000764890288 1018411284 /nfs/dbraw/zinc/41/12/84/1018411284.db2.gz VBOHITQNPYGKGY-VXGBXAGGSA-N 2 2 311.401 3.937 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000764890283 1018411656 /nfs/dbraw/zinc/41/16/56/1018411656.db2.gz VBOHITQNPYGKGY-NEPJUHHUSA-N 2 2 311.401 3.937 20 0 DHADLP Cc1noc(C)c1[C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000925203386 1018506184 /nfs/dbraw/zinc/50/61/84/1018506184.db2.gz KQBXDDRXJKWGSF-CABCVRRESA-N 2 2 315.461 3.853 20 0 DHADLP Cc1noc(C)c1[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000925203386 1018506188 /nfs/dbraw/zinc/50/61/88/1018506188.db2.gz KQBXDDRXJKWGSF-CABCVRRESA-N 2 2 315.461 3.853 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000675917699 1018626751 /nfs/dbraw/zinc/62/67/51/1018626751.db2.gz BBAJENLAHWERTG-WBVHZDCISA-N 2 2 309.413 3.956 20 0 DHADLP Cc1nc2c(s1)[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)CCC2 ZINC000765251354 1018728188 /nfs/dbraw/zinc/72/81/88/1018728188.db2.gz OXSOFVUMXIYLAV-HUUCEWRRSA-N 2 2 318.490 3.730 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000765254629 1018737567 /nfs/dbraw/zinc/73/75/67/1018737567.db2.gz ZQUIGQMWKGPRAB-KBXCAEBGSA-N 2 2 313.445 3.679 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(C)s1 ZINC000676489142 1018749204 /nfs/dbraw/zinc/74/92/04/1018749204.db2.gz IBRLWJVNICIOLX-LLVKDONJSA-N 2 2 321.465 3.811 20 0 DHADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000765308183 1018754620 /nfs/dbraw/zinc/75/46/20/1018754620.db2.gz QWLUNLRKKIXMGN-IBGZPJMESA-N 2 2 303.409 3.958 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)COC2 ZINC000765358098 1018764469 /nfs/dbraw/zinc/76/44/69/1018764469.db2.gz HDUGVHZKTVYMGM-HNNXBMFYSA-N 2 2 319.408 3.753 20 0 DHADLP CC[C@H]1C[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@H]1[NH3+] ZINC000316889691 1018872008 /nfs/dbraw/zinc/87/20/08/1018872008.db2.gz BBTGYSRLGFHYLL-BLLLJJGKSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@H]1[NH3+] ZINC000316889691 1018872030 /nfs/dbraw/zinc/87/20/30/1018872030.db2.gz BBTGYSRLGFHYLL-BLLLJJGKSA-N 2 2 319.836 3.554 20 0 DHADLP Cc1[nH+]cn([C@@H](C)CSc2ccc(Cl)cc2)c1CC[NH3+] ZINC001172876223 1033448425 /nfs/dbraw/zinc/44/84/25/1033448425.db2.gz XIKLELYTWCAUJW-NSHDSACASA-N 2 2 309.866 3.699 20 0 DHADLP c1ccc(Oc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)nc1 ZINC000921536378 1018950742 /nfs/dbraw/zinc/95/07/42/1018950742.db2.gz FUMSOJHWEDGVLB-RTBURBONSA-N 2 2 323.440 3.590 20 0 DHADLP c1ccc(Oc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)c2)nc1 ZINC000921536378 1018950754 /nfs/dbraw/zinc/95/07/54/1018950754.db2.gz FUMSOJHWEDGVLB-RTBURBONSA-N 2 2 323.440 3.590 20 0 DHADLP Clc1cccc2c1C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001168684040 1018964541 /nfs/dbraw/zinc/96/45/41/1018964541.db2.gz DBMIGMGPIOTUJR-MRXNPFEDSA-N 2 2 323.827 3.783 20 0 DHADLP CC1(C)[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)[C@@H]2CCC[C@@H]21 ZINC000657830814 1018980538 /nfs/dbraw/zinc/98/05/38/1018980538.db2.gz OUSQRRUTYOTYIN-CEXWTWQISA-N 2 2 309.457 3.846 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000261863689 1019025896 /nfs/dbraw/zinc/02/58/96/1019025896.db2.gz GHGYHRAYOWMPHP-OCCSQVGLSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000261863689 1019025909 /nfs/dbraw/zinc/02/59/09/1019025909.db2.gz GHGYHRAYOWMPHP-OCCSQVGLSA-N 2 2 319.836 3.554 20 0 DHADLP Cc1nc2[nH]ccc2c(NCc2ccccc2C[N@@H+](C)C(C)C)[nH+]1 ZINC000080772548 1019117990 /nfs/dbraw/zinc/11/79/90/1019117990.db2.gz XPGGMBOIZIBNLK-UHFFFAOYSA-N 2 2 323.444 3.719 20 0 DHADLP Cc1nc2[nH]ccc2c(NCc2ccccc2C[N@H+](C)C(C)C)[nH+]1 ZINC000080772548 1019118001 /nfs/dbraw/zinc/11/80/01/1019118001.db2.gz XPGGMBOIZIBNLK-UHFFFAOYSA-N 2 2 323.444 3.719 20 0 DHADLP Cc1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)sc1C(C)(C)C ZINC000923365065 1019152914 /nfs/dbraw/zinc/15/29/14/1019152914.db2.gz RVWRKLCDBZLHNK-CABCVRRESA-N 2 2 321.534 3.713 20 0 DHADLP Cc1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)sc1C(C)(C)C ZINC000923365065 1019152918 /nfs/dbraw/zinc/15/29/18/1019152918.db2.gz RVWRKLCDBZLHNK-CABCVRRESA-N 2 2 321.534 3.713 20 0 DHADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCSC2)C[N@@H+]1Cc1ccccc1 ZINC000672620995 1019313678 /nfs/dbraw/zinc/31/36/78/1019313678.db2.gz JUYLHJMCMFEBCK-QZTJIDSGSA-N 2 2 318.530 3.772 20 0 DHADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCSC2)C[N@H+]1Cc1ccccc1 ZINC000672620995 1019313688 /nfs/dbraw/zinc/31/36/88/1019313688.db2.gz JUYLHJMCMFEBCK-QZTJIDSGSA-N 2 2 318.530 3.772 20 0 DHADLP CC(C)c1cc(NC2CC[NH+](C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000090069827 1019378784 /nfs/dbraw/zinc/37/87/84/1019378784.db2.gz XHRHMWNSASLCLV-UHFFFAOYSA-N 2 2 302.466 3.762 20 0 DHADLP C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000564758174 1019425137 /nfs/dbraw/zinc/42/51/37/1019425137.db2.gz BLIHGEPTGJGAEU-ZDUSSCGKSA-N 2 2 311.351 3.752 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccnc1 ZINC000091307379 1019457647 /nfs/dbraw/zinc/45/76/47/1019457647.db2.gz DBEKKRZFIFQWOU-LJQANCHMSA-N 2 2 324.403 3.893 20 0 DHADLP Clc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091480080 1019470767 /nfs/dbraw/zinc/47/07/67/1019470767.db2.gz NWFNTNCMYRXHOF-GFCCVEGCSA-N 2 2 312.804 3.995 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)[nH]1 ZINC000092071928 1019499700 /nfs/dbraw/zinc/49/97/00/1019499700.db2.gz AHAVHNWPPPHVQN-AWEZNQCLSA-N 2 2 316.474 3.903 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc(C4CCCC4)s3)C2)[nH]1 ZINC000092071928 1019499710 /nfs/dbraw/zinc/49/97/10/1019499710.db2.gz AHAVHNWPPPHVQN-AWEZNQCLSA-N 2 2 316.474 3.903 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)[nH]1 ZINC000092073033 1019505362 /nfs/dbraw/zinc/50/53/62/1019505362.db2.gz XBPZUMDIFAFIDL-GOSISDBHSA-N 2 2 318.424 3.851 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)[nH]1 ZINC000092073033 1019505372 /nfs/dbraw/zinc/50/53/72/1019505372.db2.gz XBPZUMDIFAFIDL-GOSISDBHSA-N 2 2 318.424 3.851 20 0 DHADLP c1ccc(CCCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000138747575 1019638092 /nfs/dbraw/zinc/63/80/92/1019638092.db2.gz LJADSBBOPIDFOA-UHFFFAOYSA-N 2 2 309.457 3.981 20 0 DHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657885680 1019745456 /nfs/dbraw/zinc/74/54/56/1019745456.db2.gz FAZFKXZICJGFKG-QFBILLFUSA-N 2 2 324.472 3.533 20 0 DHADLP Cn1c[nH+]cc1CNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000357592429 1019752698 /nfs/dbraw/zinc/75/26/98/1019752698.db2.gz ISJSLYGKXNQUIU-UHFFFAOYSA-N 2 2 306.291 3.599 20 0 DHADLP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347615164 1019794743 /nfs/dbraw/zinc/79/47/43/1019794743.db2.gz QKJWFYRTLBTHAS-KRWDZBQOSA-N 2 2 315.486 3.850 20 0 DHADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347615164 1019794751 /nfs/dbraw/zinc/79/47/51/1019794751.db2.gz QKJWFYRTLBTHAS-KRWDZBQOSA-N 2 2 315.486 3.850 20 0 DHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC000727839010 1019818877 /nfs/dbraw/zinc/81/88/77/1019818877.db2.gz YERWXCVHGMALRV-HXUWFJFHSA-N 2 2 324.468 3.554 20 0 DHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC000727839010 1019818897 /nfs/dbraw/zinc/81/88/97/1019818897.db2.gz YERWXCVHGMALRV-HXUWFJFHSA-N 2 2 324.468 3.554 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000157831413 1019912193 /nfs/dbraw/zinc/91/21/93/1019912193.db2.gz ABIJDPTYIMVUKS-IIBYNOLFSA-N 2 2 321.468 3.884 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000157831413 1019912199 /nfs/dbraw/zinc/91/21/99/1019912199.db2.gz ABIJDPTYIMVUKS-IIBYNOLFSA-N 2 2 321.468 3.884 20 0 DHADLP Fc1cccc(F)c1-c1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000115609803 1019915549 /nfs/dbraw/zinc/91/55/49/1019915549.db2.gz BZDVUJIMGRDGSM-UHFFFAOYSA-N 2 2 317.339 3.601 20 0 DHADLP CSc1ccc([C@H](CNc2cc(C)cc[nH+]2)[NH+](C)C)cc1 ZINC000338838508 1019949924 /nfs/dbraw/zinc/94/99/24/1019949924.db2.gz VMTVCKMGYRPDQB-INIZCTEOSA-N 2 2 301.459 3.827 20 0 DHADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000685629504 1019988399 /nfs/dbraw/zinc/98/83/99/1019988399.db2.gz ULOMUNCJKAEALY-JQVXPOPVSA-N 2 2 301.821 3.614 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000359601384 1020015513 /nfs/dbraw/zinc/01/55/13/1020015513.db2.gz UUYKBTPNSGCAGP-WFASDCNBSA-N 2 2 310.894 3.951 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000359601384 1020015525 /nfs/dbraw/zinc/01/55/25/1020015525.db2.gz UUYKBTPNSGCAGP-WFASDCNBSA-N 2 2 310.894 3.951 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000658095593 1020141106 /nfs/dbraw/zinc/14/11/06/1020141106.db2.gz JFZWNEPJHDHYMH-SQNIBIBYSA-N 2 2 315.505 3.879 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000658095593 1020141115 /nfs/dbraw/zinc/14/11/15/1020141115.db2.gz JFZWNEPJHDHYMH-SQNIBIBYSA-N 2 2 315.505 3.879 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@@H](c3ccccn3)C3CC3)cc2)c[nH+]1 ZINC000922585999 1020146409 /nfs/dbraw/zinc/14/64/09/1020146409.db2.gz SOBWBFHJHPFIRM-LJQANCHMSA-N 2 2 304.397 3.508 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@H](c3ccccn3)C3CC3)cc2)c[nH+]1 ZINC000922585996 1020147118 /nfs/dbraw/zinc/14/71/18/1020147118.db2.gz SOBWBFHJHPFIRM-IBGZPJMESA-N 2 2 304.397 3.508 20 0 DHADLP Fc1cc(C[NH2+][C@@H](c2ccccn2)C2CC2)ccc1-n1cc[nH+]c1 ZINC000922586961 1020147508 /nfs/dbraw/zinc/14/75/08/1020147508.db2.gz URORMFBEMLBIRL-LJQANCHMSA-N 2 2 322.387 3.647 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658242548 1020253816 /nfs/dbraw/zinc/25/38/16/1020253816.db2.gz ZWVZJRPIMJAVJQ-JLTOFOAXSA-N 2 2 319.408 3.916 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658242553 1020254451 /nfs/dbraw/zinc/25/44/51/1020254451.db2.gz ZWVZJRPIMJAVJQ-VLIAUNLRSA-N 2 2 319.408 3.916 20 0 DHADLP C[C@H](CCC1CC1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000186360862 1020263494 /nfs/dbraw/zinc/26/34/94/1020263494.db2.gz HRSVYVBCNYIBHG-MRXNPFEDSA-N 2 2 315.505 3.890 20 0 DHADLP FC1(F)CC12CCC([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000658265517 1020266512 /nfs/dbraw/zinc/26/65/12/1020266512.db2.gz RWLVUQHCESYPSD-UHFFFAOYSA-N 2 2 321.415 3.608 20 0 DHADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000658287965 1020284253 /nfs/dbraw/zinc/28/42/53/1020284253.db2.gz PRYOQPUDOIJLOR-JXFKEZNVSA-N 2 2 309.457 3.884 20 0 DHADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000658287965 1020284259 /nfs/dbraw/zinc/28/42/59/1020284259.db2.gz PRYOQPUDOIJLOR-JXFKEZNVSA-N 2 2 309.457 3.884 20 0 DHADLP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000658292457 1020285940 /nfs/dbraw/zinc/28/59/40/1020285940.db2.gz YAOSOUDALXCRGF-MJGOQNOKSA-N 2 2 316.489 3.516 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCSC4(CCC4)C3)cc2)c[nH+]1 ZINC000922842049 1020297186 /nfs/dbraw/zinc/29/71/86/1020297186.db2.gz JWCIZXMOEARNKZ-MRXNPFEDSA-N 2 2 313.470 3.780 20 0 DHADLP CC(C)(C[NH2+][C@@H]1CCCNc2ccccc21)[NH+]1CCCCC1 ZINC000192594920 1020375638 /nfs/dbraw/zinc/37/56/38/1020375638.db2.gz UJVZXKZHVJZHKI-GOSISDBHSA-N 2 2 301.478 3.788 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCCCc2ccccc2)s1 ZINC000347635802 1020413105 /nfs/dbraw/zinc/41/31/05/1020413105.db2.gz KSPVJDKVEUZGRP-UHFFFAOYSA-N 2 2 317.502 3.659 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCCCc2ccccc2)s1 ZINC000347635802 1020413110 /nfs/dbraw/zinc/41/31/10/1020413110.db2.gz KSPVJDKVEUZGRP-UHFFFAOYSA-N 2 2 317.502 3.659 20 0 DHADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000225304485 1020419267 /nfs/dbraw/zinc/41/92/67/1020419267.db2.gz PBTUGMUBNIULDJ-UHFFFAOYSA-N 2 2 323.893 3.928 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2cccnc12 ZINC000655856042 1020432485 /nfs/dbraw/zinc/43/24/85/1020432485.db2.gz LDEWVHXVRKBIMM-MOPGFXCFSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc2cccnc12 ZINC000655856042 1020432492 /nfs/dbraw/zinc/43/24/92/1020432492.db2.gz LDEWVHXVRKBIMM-MOPGFXCFSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCNc3ccccc31)CCC2 ZINC000348074416 1020494683 /nfs/dbraw/zinc/49/46/83/1020494683.db2.gz LCUWCGGZBQZYHQ-CRAIPNDOSA-N 2 2 310.445 3.606 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000347840808 1020560933 /nfs/dbraw/zinc/56/09/33/1020560933.db2.gz DVPLWNVXEBSDFT-IEBWSBKVSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000347840808 1020560936 /nfs/dbraw/zinc/56/09/36/1020560936.db2.gz DVPLWNVXEBSDFT-IEBWSBKVSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000347840808 1020560947 /nfs/dbraw/zinc/56/09/47/1020560947.db2.gz DVPLWNVXEBSDFT-IEBWSBKVSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000347840808 1020560953 /nfs/dbraw/zinc/56/09/53/1020560953.db2.gz DVPLWNVXEBSDFT-IEBWSBKVSA-N 2 2 315.505 3.730 20 0 DHADLP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347860175 1020604985 /nfs/dbraw/zinc/60/49/85/1020604985.db2.gz RLMTZFZMLUTFOT-ZBFHGGJFSA-N 2 2 315.486 3.583 20 0 DHADLP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347860175 1020604987 /nfs/dbraw/zinc/60/49/87/1020604987.db2.gz RLMTZFZMLUTFOT-ZBFHGGJFSA-N 2 2 315.486 3.583 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625654755 1020644145 /nfs/dbraw/zinc/64/41/45/1020644145.db2.gz QJUVVCWRYOFLMI-GJZGRUSLSA-N 2 2 319.399 3.904 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC000716280050 1020843722 /nfs/dbraw/zinc/84/37/22/1020843722.db2.gz MSBPXCCFNQLXOY-VQIMIIECSA-N 2 2 300.490 3.923 20 0 DHADLP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000858531801 1032934876 /nfs/dbraw/zinc/93/48/76/1032934876.db2.gz AZHQWZYPLSLNHY-MAUKXSAKSA-N 2 2 302.462 3.753 20 0 DHADLP CCOc1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000858531801 1032934886 /nfs/dbraw/zinc/93/48/86/1032934886.db2.gz AZHQWZYPLSLNHY-MAUKXSAKSA-N 2 2 302.462 3.753 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1csc(-c2ccccc2)n1 ZINC000414075162 1020850273 /nfs/dbraw/zinc/85/02/73/1020850273.db2.gz XKRSQINLCQFFJH-UONOGXRCSA-N 2 2 312.442 3.746 20 0 DHADLP Fc1ccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)c(F)c1 ZINC000179752779 1020997644 /nfs/dbraw/zinc/99/76/44/1020997644.db2.gz XBZOQBNHTSSCRE-HUUCEWRRSA-N 2 2 306.400 3.560 20 0 DHADLP Fc1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c(F)c1 ZINC000179752779 1020997649 /nfs/dbraw/zinc/99/76/49/1020997649.db2.gz XBZOQBNHTSSCRE-HUUCEWRRSA-N 2 2 306.400 3.560 20 0 DHADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000766270151 1020999859 /nfs/dbraw/zinc/99/98/59/1020999859.db2.gz OPJOCNPMLVUOSU-CZUORRHYSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000766270151 1020999865 /nfs/dbraw/zinc/99/98/65/1020999865.db2.gz OPJOCNPMLVUOSU-CZUORRHYSA-N 2 2 312.404 3.813 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+]CC[N@@H+]3CCC[C@@H]3C)ccc2c1 ZINC000766270139 1021000633 /nfs/dbraw/zinc/00/06/33/1021000633.db2.gz OIWKSZCJRATGTN-JKSUJKDBSA-N 2 2 312.457 3.983 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+]CC[N@H+]3CCC[C@@H]3C)ccc2c1 ZINC000766270139 1021000639 /nfs/dbraw/zinc/00/06/39/1021000639.db2.gz OIWKSZCJRATGTN-JKSUJKDBSA-N 2 2 312.457 3.983 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c2ccccc12 ZINC000766274769 1021037042 /nfs/dbraw/zinc/03/70/42/1021037042.db2.gz UTGZKPIPFVHLQS-HOTGVXAUSA-N 2 2 312.457 3.983 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c2ccccc12 ZINC000766274769 1021037048 /nfs/dbraw/zinc/03/70/48/1021037048.db2.gz UTGZKPIPFVHLQS-HOTGVXAUSA-N 2 2 312.457 3.983 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccns1 ZINC000858576152 1032953000 /nfs/dbraw/zinc/95/30/00/1032953000.db2.gz IDTBNJZXZFQEDJ-IJEWVQPXSA-N 2 2 307.507 3.837 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171969013 1032954841 /nfs/dbraw/zinc/95/48/41/1032954841.db2.gz SPZNHYMKPRQWRH-IBGZPJMESA-N 2 2 323.484 3.923 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171969013 1032954851 /nfs/dbraw/zinc/95/48/51/1032954851.db2.gz SPZNHYMKPRQWRH-IBGZPJMESA-N 2 2 323.484 3.923 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000742378742 1021115371 /nfs/dbraw/zinc/11/53/71/1021115371.db2.gz XFCIPCNKFYYUOA-UHFFFAOYSA-N 2 2 309.457 3.511 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccnc(Cl)c1 ZINC000162889267 1021144466 /nfs/dbraw/zinc/14/44/66/1021144466.db2.gz SXHXFFHCISHURJ-ZDUSSCGKSA-N 2 2 304.825 3.673 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccno1 ZINC001171975995 1032961099 /nfs/dbraw/zinc/96/10/99/1032961099.db2.gz HIFYLOPSWOEKTL-RDJZCZTQSA-N 2 2 313.445 3.768 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccno1 ZINC001171975995 1032961106 /nfs/dbraw/zinc/96/11/06/1032961106.db2.gz HIFYLOPSWOEKTL-RDJZCZTQSA-N 2 2 313.445 3.768 20 0 DHADLP Fc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000091261933 1021275080 /nfs/dbraw/zinc/27/50/80/1021275080.db2.gz APPZHDROKAMZDL-GOSISDBHSA-N 2 2 301.409 3.933 20 0 DHADLP CC1(C)C[C@H]([NH2+][C@H]2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001171983928 1032965706 /nfs/dbraw/zinc/96/57/06/1032965706.db2.gz QSSNGBDLMBSTKZ-MSOLQXFVSA-N 2 2 314.473 3.531 20 0 DHADLP CC1(C)C[C@H]([NH2+][C@H]2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001171983928 1032965719 /nfs/dbraw/zinc/96/57/19/1032965719.db2.gz QSSNGBDLMBSTKZ-MSOLQXFVSA-N 2 2 314.473 3.531 20 0 DHADLP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)CO1 ZINC001171986197 1032971102 /nfs/dbraw/zinc/97/11/02/1032971102.db2.gz GJWRQOAZSGVJCP-ZHALLVOQSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)CO1 ZINC001171986197 1032971113 /nfs/dbraw/zinc/97/11/13/1032971113.db2.gz GJWRQOAZSGVJCP-ZHALLVOQSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)CO1 ZINC001171986197 1032971124 /nfs/dbraw/zinc/97/11/24/1032971124.db2.gz GJWRQOAZSGVJCP-ZHALLVOQSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)CO1 ZINC001171986197 1032971134 /nfs/dbraw/zinc/97/11/34/1032971134.db2.gz GJWRQOAZSGVJCP-ZHALLVOQSA-N 2 2 316.489 3.539 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2ccncc2s1 ZINC000850060996 1021406884 /nfs/dbraw/zinc/40/68/84/1021406884.db2.gz XZMPSYUDVLRNOY-MRXNPFEDSA-N 2 2 314.458 3.697 20 0 DHADLP CC[C@@H](C)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000093076303 1021508094 /nfs/dbraw/zinc/50/80/94/1021508094.db2.gz KLFSMQONKJJPKY-IAGOWNOFSA-N 2 2 304.478 3.522 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000069752910 1021534103 /nfs/dbraw/zinc/53/41/03/1021534103.db2.gz KPAUJIOHUCJNEW-KSSFIOAISA-N 2 2 307.397 3.879 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)CCCO2 ZINC000850439555 1021536047 /nfs/dbraw/zinc/53/60/47/1021536047.db2.gz LXFCUSLNXILDDE-HNNXBMFYSA-N 2 2 311.429 3.559 20 0 DHADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000556118921 1021542999 /nfs/dbraw/zinc/54/29/99/1021542999.db2.gz MLIJIAPSVGDWDO-ACRUOGEOSA-N 2 2 324.468 3.799 20 0 DHADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000556118921 1021543004 /nfs/dbraw/zinc/54/30/04/1021543004.db2.gz MLIJIAPSVGDWDO-ACRUOGEOSA-N 2 2 324.468 3.799 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)c1nc2c(s1)CCCC2)C[NH+]1CCCCC1 ZINC000093399625 1021578957 /nfs/dbraw/zinc/57/89/57/1021578957.db2.gz HJPSXQSJZYALBM-CABCVRRESA-N 2 2 321.534 3.795 20 0 DHADLP COc1ccccc1/C=C/C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683644 1021650802 /nfs/dbraw/zinc/65/08/02/1021650802.db2.gz BWYLJSZDDKCUNN-KOEDOTQGSA-N 2 2 314.473 3.516 20 0 DHADLP COc1ccccc1/C=C/C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683644 1021650806 /nfs/dbraw/zinc/65/08/06/1021650806.db2.gz BWYLJSZDDKCUNN-KOEDOTQGSA-N 2 2 314.473 3.516 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093742355 1021666010 /nfs/dbraw/zinc/66/60/10/1021666010.db2.gz WFBXWBXTMLZOGW-AWEZNQCLSA-N 2 2 309.523 3.604 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093742355 1021666015 /nfs/dbraw/zinc/66/60/15/1021666015.db2.gz WFBXWBXTMLZOGW-AWEZNQCLSA-N 2 2 309.523 3.604 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093742355 1021666022 /nfs/dbraw/zinc/66/60/22/1021666022.db2.gz WFBXWBXTMLZOGW-AWEZNQCLSA-N 2 2 309.523 3.604 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093742355 1021666029 /nfs/dbraw/zinc/66/60/29/1021666029.db2.gz WFBXWBXTMLZOGW-AWEZNQCLSA-N 2 2 309.523 3.604 20 0 DHADLP COc1ccccc1[C@H](C)[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129341 1033000563 /nfs/dbraw/zinc/00/05/63/1033000563.db2.gz YJWATSQUBVMMMF-NXOAAHMSSA-N 2 2 302.462 3.703 20 0 DHADLP COc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129341 1033000576 /nfs/dbraw/zinc/00/05/76/1033000576.db2.gz YJWATSQUBVMMMF-NXOAAHMSSA-N 2 2 302.462 3.703 20 0 DHADLP COc1ccccc1[C@H](C)[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129341 1033000584 /nfs/dbraw/zinc/00/05/84/1033000584.db2.gz YJWATSQUBVMMMF-NXOAAHMSSA-N 2 2 302.462 3.703 20 0 DHADLP COc1ccccc1[C@H](C)[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129341 1033000597 /nfs/dbraw/zinc/00/05/97/1033000597.db2.gz YJWATSQUBVMMMF-NXOAAHMSSA-N 2 2 302.462 3.703 20 0 DHADLP C[C@@H]([N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556496004 1021737526 /nfs/dbraw/zinc/73/75/26/1021737526.db2.gz ZCTSCPCLDYAPAN-MJGOQNOKSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@@H]([N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556496004 1021737553 /nfs/dbraw/zinc/73/75/53/1021737553.db2.gz ZCTSCPCLDYAPAN-MJGOQNOKSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@@H]([NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556496004 1021737566 /nfs/dbraw/zinc/73/75/66/1021737566.db2.gz ZCTSCPCLDYAPAN-MJGOQNOKSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@@H]([NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556496004 1021737582 /nfs/dbraw/zinc/73/75/82/1021737582.db2.gz ZCTSCPCLDYAPAN-MJGOQNOKSA-N 2 2 318.505 3.644 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000556591733 1021786899 /nfs/dbraw/zinc/78/68/99/1021786899.db2.gz MILAPQVQKYKSRY-LNKGRISISA-N 2 2 316.489 3.509 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000556591733 1021786914 /nfs/dbraw/zinc/78/69/14/1021786914.db2.gz MILAPQVQKYKSRY-LNKGRISISA-N 2 2 316.489 3.509 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cccc(Br)c1 ZINC000746048528 1021834946 /nfs/dbraw/zinc/83/49/46/1021834946.db2.gz BNGSDTOKRJPWMX-CHWSQXEVSA-N 2 2 311.267 3.584 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cccc(Br)c1 ZINC000746048528 1021834953 /nfs/dbraw/zinc/83/49/53/1021834953.db2.gz BNGSDTOKRJPWMX-CHWSQXEVSA-N 2 2 311.267 3.584 20 0 DHADLP CO[C@@H]1CC[N@H+](Cc2c(C)cc(C(C)(C)C)cc2C)[C@@H](C[NH3+])C1 ZINC000261920649 1021851532 /nfs/dbraw/zinc/85/15/32/1021851532.db2.gz RLCCOAXMWRIZCZ-QZTJIDSGSA-N 2 2 318.505 3.539 20 0 DHADLP CO[C@@H]1CC[N@@H+](Cc2c(C)cc(C(C)(C)C)cc2C)[C@@H](C[NH3+])C1 ZINC000261920649 1021851545 /nfs/dbraw/zinc/85/15/45/1021851545.db2.gz RLCCOAXMWRIZCZ-QZTJIDSGSA-N 2 2 318.505 3.539 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)CC1 ZINC000236796816 1021890272 /nfs/dbraw/zinc/89/02/72/1021890272.db2.gz CZYHHIOXSHXDJJ-GOSISDBHSA-N 2 2 314.477 3.724 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000193445326 1022026015 /nfs/dbraw/zinc/02/60/15/1022026015.db2.gz KTLKNNRXIDVNOT-QAPCUYQASA-N 2 2 303.409 3.863 20 0 DHADLP CC(C)CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000153590460 1022224922 /nfs/dbraw/zinc/22/49/22/1022224922.db2.gz SLWULEAXDLWHRR-AEFFLSMTSA-N 2 2 304.478 3.684 20 0 DHADLP CC(C)CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000153590460 1022224928 /nfs/dbraw/zinc/22/49/28/1022224928.db2.gz SLWULEAXDLWHRR-AEFFLSMTSA-N 2 2 304.478 3.684 20 0 DHADLP Cc1[nH+]c2c(n1[C@@H](Cc1ccccc1)CC(C)C)CC[NH2+]CC2 ZINC001169071637 1022241015 /nfs/dbraw/zinc/24/10/15/1022241015.db2.gz ZLIUKWSUPSUMIZ-GOSISDBHSA-N 2 2 311.473 3.710 20 0 DHADLP CC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000154001413 1022268975 /nfs/dbraw/zinc/26/89/75/1022268975.db2.gz ZEKPOGHQCOLBLO-APWZRJJASA-N 2 2 316.489 3.665 20 0 DHADLP CC1(C)C[C@@H](Nc2[nH+]cccc2-n2cccc2)C[C@@](C)(C[NH3+])C1 ZINC001169140930 1022272304 /nfs/dbraw/zinc/27/23/04/1022272304.db2.gz HYZKXQRHJTZEOG-DNVCBOLYSA-N 2 2 312.461 3.828 20 0 DHADLP CC1(C)C[C@H](Nc2ccc(N3CCCC3)[nH+]c2)C[C@](C)(C[NH3+])C1 ZINC001169142920 1022274846 /nfs/dbraw/zinc/27/48/46/1022274846.db2.gz HZCCVBIVCWQGGZ-LPHOPBHVSA-N 2 2 316.493 3.637 20 0 DHADLP Cn1c[nH+]c2ccc(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc21 ZINC001169149062 1022280719 /nfs/dbraw/zinc/28/07/19/1022280719.db2.gz XQOMIGWGBJQSRX-KSSFIOAISA-N 2 2 300.450 3.529 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1OC(F)F ZINC000268744830 1022374580 /nfs/dbraw/zinc/37/45/80/1022374580.db2.gz AFWDALBEICXLHW-NWANDNLSSA-N 2 2 310.388 3.565 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1OC(F)F ZINC000268744830 1022374607 /nfs/dbraw/zinc/37/46/07/1022374607.db2.gz AFWDALBEICXLHW-NWANDNLSSA-N 2 2 310.388 3.565 20 0 DHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000155978329 1022431081 /nfs/dbraw/zinc/43/10/81/1022431081.db2.gz IILMNRNSFIEUBA-XLIONFOSSA-N 2 2 309.457 3.787 20 0 DHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000155978329 1022431089 /nfs/dbraw/zinc/43/10/89/1022431089.db2.gz IILMNRNSFIEUBA-XLIONFOSSA-N 2 2 309.457 3.787 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854228441 1022435973 /nfs/dbraw/zinc/43/59/73/1022435973.db2.gz WIKQEWHHPAZJEU-GMQFJONSSA-N 2 2 324.440 3.720 20 0 DHADLP c1cn(CC[NH2+]Cc2ccc(Sc3ccccc3)cc2)c[nH+]1 ZINC000156709356 1022488829 /nfs/dbraw/zinc/48/88/29/1022488829.db2.gz RSZNBKUNTPFQIX-UHFFFAOYSA-N 2 2 309.438 3.824 20 0 DHADLP C[NH+](C)CCC(C)(C)Nc1cc[nH+]c(OCc2ccccc2)c1 ZINC001169718777 1022520068 /nfs/dbraw/zinc/52/00/68/1022520068.db2.gz XARUGVYQPGXLER-UHFFFAOYSA-N 2 2 313.445 3.803 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000158114437 1022602619 /nfs/dbraw/zinc/60/26/19/1022602619.db2.gz XQWGNXLIHYPMKV-NWDGAFQWSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(OC(F)F)c1 ZINC000315519189 1022645918 /nfs/dbraw/zinc/64/59/18/1022645918.db2.gz DVYAWJKQYYJAQR-ZDUSSCGKSA-N 2 2 309.360 3.616 20 0 DHADLP C[C@@H]([NH3+])[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1 ZINC000925592672 1022671288 /nfs/dbraw/zinc/67/12/88/1022671288.db2.gz AIFFQJDNKUFHGM-BEFAXECRSA-N 2 2 310.445 3.572 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311733 1022678684 /nfs/dbraw/zinc/67/86/84/1022678684.db2.gz MMLJMRFEVQKQNF-QLFBSQMISA-N 2 2 301.459 3.727 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)o1 ZINC000767374492 1022703656 /nfs/dbraw/zinc/70/36/56/1022703656.db2.gz IDHLHSADYDMWDE-MGPUTAFESA-N 2 2 312.457 3.897 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)o1 ZINC000767374492 1022703673 /nfs/dbraw/zinc/70/36/73/1022703673.db2.gz IDHLHSADYDMWDE-MGPUTAFESA-N 2 2 312.457 3.897 20 0 DHADLP C[C@H]([NH2+]CCOCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000660239127 1022789589 /nfs/dbraw/zinc/78/95/89/1022789589.db2.gz OYYJRMBCABVUME-KRWDZBQOSA-N 2 2 321.424 3.740 20 0 DHADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000768097676 1022881796 /nfs/dbraw/zinc/88/17/96/1022881796.db2.gz OSRPEXJWDIURDS-GOSISDBHSA-N 2 2 313.445 3.729 20 0 DHADLP CSc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222147868 1022898610 /nfs/dbraw/zinc/89/86/10/1022898610.db2.gz CPRQCRGUMDTGBC-MRXNPFEDSA-N 2 2 310.894 3.637 20 0 DHADLP CSc1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222147868 1022898627 /nfs/dbraw/zinc/89/86/27/1022898627.db2.gz CPRQCRGUMDTGBC-MRXNPFEDSA-N 2 2 310.894 3.637 20 0 DHADLP C[C@@]1(C[NH2+]Cc2ccc(O)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397922014 1023004818 /nfs/dbraw/zinc/00/48/18/1023004818.db2.gz QMGFWFKDLRCTTO-FQEVSTJZSA-N 2 2 310.441 3.537 20 0 DHADLP C[C@@]1(C[NH2+]Cc2ccc(O)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000397922014 1023004822 /nfs/dbraw/zinc/00/48/22/1023004822.db2.gz QMGFWFKDLRCTTO-FQEVSTJZSA-N 2 2 310.441 3.537 20 0 DHADLP c1ccc2c(c1)cncc2C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000770374387 1023300517 /nfs/dbraw/zinc/30/05/17/1023300517.db2.gz NCJBDGSIBREDAZ-UTKZUKDTSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(c1)cncc2C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000770374387 1023300524 /nfs/dbraw/zinc/30/05/24/1023300524.db2.gz NCJBDGSIBREDAZ-UTKZUKDTSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(c1)cncc2C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000770374387 1023300530 /nfs/dbraw/zinc/30/05/30/1023300530.db2.gz NCJBDGSIBREDAZ-UTKZUKDTSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(c1)cncc2C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000770374387 1023300535 /nfs/dbraw/zinc/30/05/35/1023300535.db2.gz NCJBDGSIBREDAZ-UTKZUKDTSA-N 2 2 321.468 3.684 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC000771374026 1023428068 /nfs/dbraw/zinc/42/80/68/1023428068.db2.gz FTDOSQJIPXJPSA-NVXWUHKLSA-N 2 2 300.450 3.660 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC001172363974 1033141883 /nfs/dbraw/zinc/14/18/83/1033141883.db2.gz SVUAVBKACDZRFA-NUJGCVRESA-N 2 2 301.478 3.712 20 0 DHADLP CC[C@@H](C)OCC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172362673 1033142266 /nfs/dbraw/zinc/14/22/66/1033142266.db2.gz VZWWVXITSJBPGE-DLBZAZTESA-N 2 2 310.526 3.919 20 0 DHADLP CC[C@@H](C)OCC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172362673 1033142273 /nfs/dbraw/zinc/14/22/73/1033142273.db2.gz VZWWVXITSJBPGE-DLBZAZTESA-N 2 2 310.526 3.919 20 0 DHADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000651910914 1023633034 /nfs/dbraw/zinc/63/30/34/1023633034.db2.gz RLIAXPMWYFLUNP-RBUKOAKNSA-N 2 2 307.441 3.505 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H](c1cccnc1)C1CCCCC1)C2 ZINC000652199745 1023701257 /nfs/dbraw/zinc/70/12/57/1023701257.db2.gz AZGUBGAVGICOOI-LPHOPBHVSA-N 2 2 310.445 3.573 20 0 DHADLP Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787283875 1023779764 /nfs/dbraw/zinc/77/97/64/1023779764.db2.gz GBMHMIWFTVXOKF-JXFKEZNVSA-N 2 2 321.424 3.565 20 0 DHADLP Cc1ccc(OCC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000787282629 1023780442 /nfs/dbraw/zinc/78/04/42/1023780442.db2.gz KCNKBKWEKICZFH-KRWDZBQOSA-N 2 2 321.424 3.910 20 0 DHADLP CC(C)CCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001170077155 1023813375 /nfs/dbraw/zinc/81/33/75/1023813375.db2.gz GPKDMVZQCKLTBO-IHPCNDPISA-N 2 2 315.505 3.660 20 0 DHADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788537593 1023902062 /nfs/dbraw/zinc/90/20/62/1023902062.db2.gz CLTGVTVBKOKTGB-FMKPAKJESA-N 2 2 321.896 3.680 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccccc1 ZINC000788602309 1023911783 /nfs/dbraw/zinc/91/17/83/1023911783.db2.gz AUVGQDLEUCTFAQ-LSDHHAIUSA-N 2 2 313.445 3.567 20 0 DHADLP CCC1([NH3+])CC[NH+]([C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000925758025 1023985356 /nfs/dbraw/zinc/98/53/56/1023985356.db2.gz AJFZVOAXYURQQA-LBPRGKRZSA-N 2 2 300.368 3.970 20 0 DHADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC001170111499 1024120133 /nfs/dbraw/zinc/12/01/33/1024120133.db2.gz CTRHXSWKYKGDSD-KDOFPFPSSA-N 2 2 304.453 3.877 20 0 DHADLP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268759381 1024152377 /nfs/dbraw/zinc/15/23/77/1024152377.db2.gz KVONCWXUMFGTON-OAHLLOKOSA-N 2 2 317.502 3.941 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000268794410 1024162638 /nfs/dbraw/zinc/16/26/38/1024162638.db2.gz ZFSHQCOSVWTBEW-MRXNPFEDSA-N 2 2 321.424 3.791 20 0 DHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000268814014 1024168616 /nfs/dbraw/zinc/16/86/16/1024168616.db2.gz LUSHYVOXTOWFGR-CHWSQXEVSA-N 2 2 309.360 3.532 20 0 DHADLP FC1(F)CCC[C@@H]1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000883266659 1024339360 /nfs/dbraw/zinc/33/93/60/1024339360.db2.gz GNVQAEWFHJJUGN-OAHLLOKOSA-N 2 2 305.372 3.787 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCc3ccccc3CC1)CCC2 ZINC000453113725 1024341644 /nfs/dbraw/zinc/34/16/44/1024341644.db2.gz FOQZIMJHOZRRHR-SFHVURJKSA-N 2 2 309.457 3.606 20 0 DHADLP Nc1cccc2c1cc[nH+]c2NC1CC[NH+](CC2CCCC2)CC1 ZINC000663455657 1024382489 /nfs/dbraw/zinc/38/24/89/1024382489.db2.gz QNXHNWNBTZRAKE-UHFFFAOYSA-N 2 2 324.472 3.884 20 0 DHADLP COc1cccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883387558 1024419302 /nfs/dbraw/zinc/41/93/02/1024419302.db2.gz ZNRIVBNHGBZCLS-UZLBHIALSA-N 2 2 321.424 3.984 20 0 DHADLP COc1cccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883387556 1024420328 /nfs/dbraw/zinc/42/03/28/1024420328.db2.gz ZNRIVBNHGBZCLS-OXJNMPFZSA-N 2 2 321.424 3.984 20 0 DHADLP c1cn(C[C@@H]([NH2+][C@H]2CCCc3cccnc32)c2ccccc2)c[nH+]1 ZINC000883388425 1024422027 /nfs/dbraw/zinc/42/20/27/1024422027.db2.gz VDYUAWAUQFIWPN-RBUKOAKNSA-N 2 2 318.424 3.687 20 0 DHADLP CC(C)(C)OC1CC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883388083 1024423022 /nfs/dbraw/zinc/42/30/22/1024423022.db2.gz LWPPFXQZENIFEL-ABHNRTSZSA-N 2 2 313.445 3.560 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000643526838 1024527429 /nfs/dbraw/zinc/52/74/29/1024527429.db2.gz AIORYDICWZBQQA-JGVFFNPUSA-N 2 2 314.273 3.722 20 0 DHADLP CC(C)[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc(C(F)(F)F)c1 ZINC000643506898 1024509142 /nfs/dbraw/zinc/50/91/42/1024509142.db2.gz LUVCQFOSAWWLAH-OAHLLOKOSA-N 2 2 300.368 3.744 20 0 DHADLP c1cn(Cc2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000348236834 1024522001 /nfs/dbraw/zinc/52/20/01/1024522001.db2.gz BYKWHOVOVYUFEQ-SFTDATJTSA-N 2 2 317.436 3.825 20 0 DHADLP Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532249089 1024584431 /nfs/dbraw/zinc/58/44/31/1024584431.db2.gz JIBRQKKWQWHFJF-UZLBHIALSA-N 2 2 321.424 3.565 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000349193635 1024687267 /nfs/dbraw/zinc/68/72/67/1024687267.db2.gz QHWLDSAJRVOJCK-OAHLLOKOSA-N 2 2 324.453 3.533 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000349193635 1024687273 /nfs/dbraw/zinc/68/72/73/1024687273.db2.gz QHWLDSAJRVOJCK-OAHLLOKOSA-N 2 2 324.453 3.533 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349344171 1024705582 /nfs/dbraw/zinc/70/55/82/1024705582.db2.gz HKBMPGIGQHQCLH-UHFFFAOYSA-N 2 2 311.351 3.732 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349344171 1024705599 /nfs/dbraw/zinc/70/55/99/1024705599.db2.gz HKBMPGIGQHQCLH-UHFFFAOYSA-N 2 2 311.351 3.732 20 0 DHADLP Cc1ccc(-c2ccc(C[N@H+](C)CCCn3cc[nH+]c3)o2)cc1 ZINC000349369382 1024707459 /nfs/dbraw/zinc/70/74/59/1024707459.db2.gz PSAICPKKFRFLQZ-UHFFFAOYSA-N 2 2 309.413 3.974 20 0 DHADLP Cc1ccc(-c2ccc(C[N@@H+](C)CCCn3cc[nH+]c3)o2)cc1 ZINC000349369382 1024707473 /nfs/dbraw/zinc/70/74/73/1024707473.db2.gz PSAICPKKFRFLQZ-UHFFFAOYSA-N 2 2 309.413 3.974 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000349370721 1024710071 /nfs/dbraw/zinc/71/00/71/1024710071.db2.gz RYEAXQSRFAIOCG-UHFFFAOYSA-N 2 2 313.376 3.804 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000349370721 1024710082 /nfs/dbraw/zinc/71/00/82/1024710082.db2.gz RYEAXQSRFAIOCG-UHFFFAOYSA-N 2 2 313.376 3.804 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001168157233 1024710456 /nfs/dbraw/zinc/71/04/56/1024710456.db2.gz YQVMRHCISZHBOC-JKSUJKDBSA-N 2 2 308.897 3.981 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccsc2)s1 ZINC000349407570 1024716170 /nfs/dbraw/zinc/71/61/70/1024716170.db2.gz OHTSZPYDWIKSCZ-UHFFFAOYSA-N 2 2 309.504 3.645 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccsc2)s1 ZINC000349407570 1024716177 /nfs/dbraw/zinc/71/61/77/1024716177.db2.gz OHTSZPYDWIKSCZ-UHFFFAOYSA-N 2 2 309.504 3.645 20 0 DHADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349609824 1024732983 /nfs/dbraw/zinc/73/29/83/1024732983.db2.gz JSRHHCIUQGIZGA-UHFFFAOYSA-N 2 2 323.893 3.928 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001168167041 1024744063 /nfs/dbraw/zinc/74/40/63/1024744063.db2.gz KXUNHTCAAPUGNM-LIRRHRJNSA-N 2 2 314.860 3.657 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001168167041 1024744083 /nfs/dbraw/zinc/74/40/83/1024744083.db2.gz KXUNHTCAAPUGNM-LIRRHRJNSA-N 2 2 314.860 3.657 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000348289659 1024744824 /nfs/dbraw/zinc/74/48/24/1024744824.db2.gz LFAMDQRNUFULPY-KRWDZBQOSA-N 2 2 324.472 3.556 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000348289659 1024744842 /nfs/dbraw/zinc/74/48/42/1024744842.db2.gz LFAMDQRNUFULPY-KRWDZBQOSA-N 2 2 324.472 3.556 20 0 DHADLP COc1cc[nH+]cc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170330791 1024747389 /nfs/dbraw/zinc/74/73/89/1024747389.db2.gz HDDUVUXKEGXLEB-NNZMDNLPSA-N 2 2 323.440 3.698 20 0 DHADLP COc1cc[nH+]cc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170330791 1024747395 /nfs/dbraw/zinc/74/73/95/1024747395.db2.gz HDDUVUXKEGXLEB-NNZMDNLPSA-N 2 2 323.440 3.698 20 0 DHADLP CCOc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000349803879 1024755666 /nfs/dbraw/zinc/75/56/66/1024755666.db2.gz ZYWOWAGOHXIQKB-UHFFFAOYSA-N 2 2 302.462 3.536 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000877115338 1033244230 /nfs/dbraw/zinc/24/42/30/1033244230.db2.gz MPJZQHNUFUEFQY-MRXNPFEDSA-N 2 2 301.478 3.777 20 0 DHADLP Cc1sccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000353231268 1024994018 /nfs/dbraw/zinc/99/40/18/1024994018.db2.gz IKVYWOAXHYJNRV-UHFFFAOYSA-N 2 2 302.443 3.803 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000353452242 1025075932 /nfs/dbraw/zinc/07/59/32/1025075932.db2.gz ZFAIGFLLIRFBMB-QGZVFWFLSA-N 2 2 320.440 3.528 20 0 DHADLP C[NH+](CCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1)Cc1ccco1 ZINC000353557544 1025131071 /nfs/dbraw/zinc/13/10/71/1025131071.db2.gz UZDFSFQSFRGLCM-OAHLLOKOSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1)Cc1ccco1 ZINC000353557544 1025131076 /nfs/dbraw/zinc/13/10/76/1025131076.db2.gz UZDFSFQSFRGLCM-OAHLLOKOSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H]1CCCC(F)(F)C1 ZINC000353557544 1025131080 /nfs/dbraw/zinc/13/10/80/1025131080.db2.gz UZDFSFQSFRGLCM-OAHLLOKOSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H]1CCCC(F)(F)C1 ZINC000353557544 1025131085 /nfs/dbraw/zinc/13/10/85/1025131085.db2.gz UZDFSFQSFRGLCM-OAHLLOKOSA-N 2 2 314.420 3.859 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccsc2S1 ZINC000353652352 1025180283 /nfs/dbraw/zinc/18/02/83/1025180283.db2.gz WJKCZHMFGMMDNY-GBIKHYSHSA-N 2 2 305.472 3.544 20 0 DHADLP CCc1cccc(F)c1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000353930088 1025296568 /nfs/dbraw/zinc/29/65/68/1025296568.db2.gz OTVDJBXKXYVLQE-UHFFFAOYSA-N 2 2 309.388 3.864 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000353970088 1025307726 /nfs/dbraw/zinc/30/77/26/1025307726.db2.gz BPPAUBBWKCZWDV-QFBILLFUSA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000353970088 1025307734 /nfs/dbraw/zinc/30/77/34/1025307734.db2.gz BPPAUBBWKCZWDV-QFBILLFUSA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000353973078 1025307811 /nfs/dbraw/zinc/30/78/11/1025307811.db2.gz PLCWKDRMQCIVRK-RTBURBONSA-N 2 2 322.468 3.757 20 0 DHADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000353973078 1025307815 /nfs/dbraw/zinc/30/78/15/1025307815.db2.gz PLCWKDRMQCIVRK-RTBURBONSA-N 2 2 322.468 3.757 20 0 DHADLP CCC[NH+]1CCC(Nc2ccc([NH+]3CCCC3)cc2C)CC1 ZINC000236797590 1025322518 /nfs/dbraw/zinc/32/25/18/1025322518.db2.gz DTUVZTZIELCARG-UHFFFAOYSA-N 2 2 301.478 3.882 20 0 DHADLP CC1CCC([N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001168214979 1025327500 /nfs/dbraw/zinc/32/75/00/1025327500.db2.gz JVZKKOFFDVNCRK-ODZFXCKXSA-N 2 2 319.518 3.618 20 0 DHADLP CC1CCC([N@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001168214979 1025327510 /nfs/dbraw/zinc/32/75/10/1025327510.db2.gz JVZKKOFFDVNCRK-ODZFXCKXSA-N 2 2 319.518 3.618 20 0 DHADLP CC1CCC([NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001168214979 1025327524 /nfs/dbraw/zinc/32/75/24/1025327524.db2.gz JVZKKOFFDVNCRK-ODZFXCKXSA-N 2 2 319.518 3.618 20 0 DHADLP CC1CCC([NH+]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001168214979 1025327535 /nfs/dbraw/zinc/32/75/35/1025327535.db2.gz JVZKKOFFDVNCRK-ODZFXCKXSA-N 2 2 319.518 3.618 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000123738687 1025397616 /nfs/dbraw/zinc/39/76/16/1025397616.db2.gz OFZRFHLIADGRCZ-HNNXBMFYSA-N 2 2 303.837 3.528 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000123738687 1025397633 /nfs/dbraw/zinc/39/76/33/1025397633.db2.gz OFZRFHLIADGRCZ-HNNXBMFYSA-N 2 2 303.837 3.528 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)C1c2ccccc2-c2ccccc21 ZINC000124243423 1025418419 /nfs/dbraw/zinc/41/84/19/1025418419.db2.gz FBNFZOUUKVXRNY-UHFFFAOYSA-N 2 2 303.409 3.975 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)C1c2ccccc2-c2ccccc21 ZINC000124243423 1025418427 /nfs/dbraw/zinc/41/84/27/1025418427.db2.gz FBNFZOUUKVXRNY-UHFFFAOYSA-N 2 2 303.409 3.975 20 0 DHADLP c1csc(C[N@H+](CCC[NH+]2CCCCC2)C[C@H]2CCCO2)c1 ZINC000124734709 1025442692 /nfs/dbraw/zinc/44/26/92/1025442692.db2.gz GAUYEQJVMZBIIF-QGZVFWFLSA-N 2 2 322.518 3.605 20 0 DHADLP c1csc(C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]2CCCO2)c1 ZINC000124734709 1025442697 /nfs/dbraw/zinc/44/26/97/1025442697.db2.gz GAUYEQJVMZBIIF-QGZVFWFLSA-N 2 2 322.518 3.605 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@H](CC4CC4)C3)sc2C1 ZINC000354523047 1025450642 /nfs/dbraw/zinc/45/06/42/1025450642.db2.gz BVUYBSLYDSHFSL-OAHLLOKOSA-N 2 2 319.518 3.532 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@H](CC4CC4)C3)sc2C1 ZINC000354523047 1025450647 /nfs/dbraw/zinc/45/06/47/1025450647.db2.gz BVUYBSLYDSHFSL-OAHLLOKOSA-N 2 2 319.518 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@H](CC4CC4)C3)sc2C1 ZINC000354523047 1025450662 /nfs/dbraw/zinc/45/06/62/1025450662.db2.gz BVUYBSLYDSHFSL-OAHLLOKOSA-N 2 2 319.518 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@H](CC4CC4)C3)sc2C1 ZINC000354523047 1025450669 /nfs/dbraw/zinc/45/06/69/1025450669.db2.gz BVUYBSLYDSHFSL-OAHLLOKOSA-N 2 2 319.518 3.532 20 0 DHADLP Cc1ccccc1C[C@H](C)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348361657 1025496888 /nfs/dbraw/zinc/49/68/88/1025496888.db2.gz TXUUBAGXWRMYHB-HNNXBMFYSA-N 2 2 317.502 3.576 20 0 DHADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000126321139 1025507994 /nfs/dbraw/zinc/50/79/94/1025507994.db2.gz KEDYIQZQNKXVMV-BBTUJRGHSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000126321139 1025507998 /nfs/dbraw/zinc/50/79/98/1025507998.db2.gz KEDYIQZQNKXVMV-BBTUJRGHSA-N 2 2 323.484 3.951 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H](C)OCc1ccccc1 ZINC000354858489 1025528364 /nfs/dbraw/zinc/52/83/64/1025528364.db2.gz KOEZPFJHASFXNY-RLLQIKCJSA-N 2 2 316.489 3.540 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H](C)OCc1ccccc1 ZINC000354858489 1025528372 /nfs/dbraw/zinc/52/83/72/1025528372.db2.gz KOEZPFJHASFXNY-RLLQIKCJSA-N 2 2 316.489 3.540 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)OCc1ccccc1 ZINC000354858489 1025528379 /nfs/dbraw/zinc/52/83/79/1025528379.db2.gz KOEZPFJHASFXNY-RLLQIKCJSA-N 2 2 316.489 3.540 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](C)OCc1ccccc1 ZINC000354858489 1025528391 /nfs/dbraw/zinc/52/83/91/1025528391.db2.gz KOEZPFJHASFXNY-RLLQIKCJSA-N 2 2 316.489 3.540 20 0 DHADLP c1ccc(-c2cccc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2)nc1 ZINC000127748292 1025551766 /nfs/dbraw/zinc/55/17/66/1025551766.db2.gz LXGDBTKYTMTJMU-UHFFFAOYSA-N 2 2 321.468 3.809 20 0 DHADLP CC(C)(C)OCCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000355316309 1025675617 /nfs/dbraw/zinc/67/56/17/1025675617.db2.gz NZYVPSBAPIBTRO-UHFFFAOYSA-N 2 2 321.509 3.971 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3cc(C(C)(C)C)on3)CC2)[nH+]c1C ZINC000886662462 1025771210 /nfs/dbraw/zinc/77/12/10/1025771210.db2.gz DWBDGHFVTPVUHL-UHFFFAOYSA-N 2 2 316.449 3.692 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000152115218 1025771467 /nfs/dbraw/zinc/77/14/67/1025771467.db2.gz CSVZOOYMSZTRLZ-DOADOZAASA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000152115218 1025771483 /nfs/dbraw/zinc/77/14/83/1025771483.db2.gz CSVZOOYMSZTRLZ-DOADOZAASA-N 2 2 315.505 3.708 20 0 DHADLP Clc1ccc2c(n1)CC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000806134463 1025778907 /nfs/dbraw/zinc/77/89/07/1025778907.db2.gz YRYCEJQHHLQZES-OAHLLOKOSA-N 2 2 324.815 3.698 20 0 DHADLP CCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860104 1025819146 /nfs/dbraw/zinc/81/91/46/1025819146.db2.gz JBHBWWNWEPRBRT-VQIMIIECSA-N 2 2 314.473 3.534 20 0 DHADLP CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860104 1025819159 /nfs/dbraw/zinc/81/91/59/1025819159.db2.gz JBHBWWNWEPRBRT-VQIMIIECSA-N 2 2 314.473 3.534 20 0 DHADLP CCOc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134860104 1025819165 /nfs/dbraw/zinc/81/91/65/1025819165.db2.gz JBHBWWNWEPRBRT-VQIMIIECSA-N 2 2 314.473 3.534 20 0 DHADLP CCOc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134860104 1025819168 /nfs/dbraw/zinc/81/91/68/1025819168.db2.gz JBHBWWNWEPRBRT-VQIMIIECSA-N 2 2 314.473 3.534 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cnc3ccc(C)cc3c2)CC1 ZINC000886718288 1025829464 /nfs/dbraw/zinc/82/94/64/1025829464.db2.gz WFRZWVJZYJYCDE-UHFFFAOYSA-N 2 2 323.484 3.994 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cscc3C(F)(F)F)CC[C@@H]21 ZINC000356129159 1025959066 /nfs/dbraw/zinc/95/90/66/1025959066.db2.gz RGKCNTWYJACUTA-RISCZKNCSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cscc3C(F)(F)F)CC[C@@H]21 ZINC000356129159 1025959072 /nfs/dbraw/zinc/95/90/72/1025959072.db2.gz RGKCNTWYJACUTA-RISCZKNCSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cscc3C(F)(F)F)CC[C@@H]21 ZINC000356129159 1025959082 /nfs/dbraw/zinc/95/90/82/1025959082.db2.gz RGKCNTWYJACUTA-RISCZKNCSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cscc3C(F)(F)F)CC[C@@H]21 ZINC000356129159 1025959089 /nfs/dbraw/zinc/95/90/89/1025959089.db2.gz RGKCNTWYJACUTA-RISCZKNCSA-N 2 2 318.408 3.683 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[N@@H+]1C ZINC000356291936 1026010507 /nfs/dbraw/zinc/01/05/07/1026010507.db2.gz WMUFBUKARLVIIS-LSDHHAIUSA-N 2 2 321.896 3.513 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[N@H+]1C ZINC000356291936 1026010518 /nfs/dbraw/zinc/01/05/18/1026010518.db2.gz WMUFBUKARLVIIS-LSDHHAIUSA-N 2 2 321.896 3.513 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000237575139 1026016281 /nfs/dbraw/zinc/01/62/81/1026016281.db2.gz QZEVEIZXEWGDCC-KXBFYZLASA-N 2 2 321.424 3.938 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000237668970 1026019761 /nfs/dbraw/zinc/01/97/61/1026019761.db2.gz QZEVEIZXEWGDCC-HNAYVOBHSA-N 2 2 321.424 3.938 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000245470309 1026042127 /nfs/dbraw/zinc/04/21/27/1026042127.db2.gz WFFRHMIQLDNDBN-FUHIMQAGSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000245470309 1026042145 /nfs/dbraw/zinc/04/21/45/1026042145.db2.gz WFFRHMIQLDNDBN-FUHIMQAGSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245531071 1026059373 /nfs/dbraw/zinc/05/93/73/1026059373.db2.gz CMHJNEYICHYIFB-CVEARBPZSA-N 2 2 313.445 3.697 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245531071 1026059403 /nfs/dbraw/zinc/05/94/03/1026059403.db2.gz CMHJNEYICHYIFB-CVEARBPZSA-N 2 2 313.445 3.697 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1C ZINC000093645115 1026119225 /nfs/dbraw/zinc/11/92/25/1026119225.db2.gz KCWTVKWRKNVBQV-BXUZGUMPSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2C(F)(F)F)CC[N@H+]1C ZINC000093645115 1026119230 /nfs/dbraw/zinc/11/92/30/1026119230.db2.gz KCWTVKWRKNVBQV-BXUZGUMPSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC[NH+]1C ZINC000093645115 1026119248 /nfs/dbraw/zinc/11/92/48/1026119248.db2.gz KCWTVKWRKNVBQV-BXUZGUMPSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC[NH+]1C ZINC000093645115 1026119253 /nfs/dbraw/zinc/11/92/53/1026119253.db2.gz KCWTVKWRKNVBQV-BXUZGUMPSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644305 1026119765 /nfs/dbraw/zinc/11/97/65/1026119765.db2.gz UBIQWMBIOBZLTQ-DGCLKSJQSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000093644305 1026119770 /nfs/dbraw/zinc/11/97/70/1026119770.db2.gz UBIQWMBIOBZLTQ-DGCLKSJQSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644305 1026119778 /nfs/dbraw/zinc/11/97/78/1026119778.db2.gz UBIQWMBIOBZLTQ-DGCLKSJQSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644305 1026119787 /nfs/dbraw/zinc/11/97/87/1026119787.db2.gz UBIQWMBIOBZLTQ-DGCLKSJQSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(CSC(F)F)o2)CC[N@@H+]1C ZINC000093644781 1026121261 /nfs/dbraw/zinc/12/12/61/1026121261.db2.gz DQXISHOETYQQDI-NEPJUHHUSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(CSC(F)F)o2)CC[N@H+]1C ZINC000093644781 1026121270 /nfs/dbraw/zinc/12/12/70/1026121270.db2.gz DQXISHOETYQQDI-NEPJUHHUSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(CSC(F)F)o2)CC[NH+]1C ZINC000093644781 1026121278 /nfs/dbraw/zinc/12/12/78/1026121278.db2.gz DQXISHOETYQQDI-NEPJUHHUSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(CSC(F)F)o2)CC[NH+]1C ZINC000093644781 1026121286 /nfs/dbraw/zinc/12/12/86/1026121286.db2.gz DQXISHOETYQQDI-NEPJUHHUSA-N 2 2 318.433 3.650 20 0 DHADLP c1cc(-c2ccc3c(C4C[NH+]([C@@H]5C[C@H]6C[C@H]6C5)C4)[nH+]cn3c2)co1 ZINC001167942090 1026451102 /nfs/dbraw/zinc/45/11/02/1026451102.db2.gz YSVKGLGRGPZTSB-ALXJQNPVSA-N 2 2 319.408 3.792 20 0 DHADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@H]3CC=CCC3)c(C)c2)CC1 ZINC000513563740 1026541302 /nfs/dbraw/zinc/54/13/02/1026541302.db2.gz VOCHZNAYYBRRMD-SFHVURJKSA-N 2 2 313.489 3.905 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000810146990 1026693958 /nfs/dbraw/zinc/69/39/58/1026693958.db2.gz BLGMWGGIAWPZBJ-ZSMUJPCHSA-N 2 2 324.415 3.765 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000810146990 1026693962 /nfs/dbraw/zinc/69/39/62/1026693962.db2.gz BLGMWGGIAWPZBJ-ZSMUJPCHSA-N 2 2 324.415 3.765 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319635900 1026732062 /nfs/dbraw/zinc/73/20/62/1026732062.db2.gz BMGMSIUOKIAAPX-MAUKXSAKSA-N 2 2 315.461 3.966 20 0 DHADLP C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000420924850 1026880099 /nfs/dbraw/zinc/88/00/99/1026880099.db2.gz KRAIGENXFYXXCU-SFHVURJKSA-N 2 2 301.409 3.510 20 0 DHADLP C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000420924850 1026880106 /nfs/dbraw/zinc/88/01/06/1026880106.db2.gz KRAIGENXFYXXCU-SFHVURJKSA-N 2 2 301.409 3.510 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1Cl)C[NH+]1CCCCC1 ZINC000811474944 1027016277 /nfs/dbraw/zinc/01/62/77/1027016277.db2.gz UIMSNCCYQVDARG-LBPRGKRZSA-N 2 2 316.276 3.600 20 0 DHADLP C[C@@H](CCSc1ccccc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514619 1027150622 /nfs/dbraw/zinc/15/06/22/1027150622.db2.gz DAYLFTRVNLIWAB-AWEZNQCLSA-N 2 2 313.470 3.593 20 0 DHADLP C[C@@H](CCSc1ccccc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514619 1027150625 /nfs/dbraw/zinc/15/06/25/1027150625.db2.gz DAYLFTRVNLIWAB-AWEZNQCLSA-N 2 2 313.470 3.593 20 0 DHADLP C[N@H+](Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000362385830 1027178480 /nfs/dbraw/zinc/17/84/80/1027178480.db2.gz JJNDXUJVLVBYPS-DFNIBXOVSA-N 2 2 310.441 3.907 20 0 DHADLP C[N@@H+](Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000362385830 1027178490 /nfs/dbraw/zinc/17/84/90/1027178490.db2.gz JJNDXUJVLVBYPS-DFNIBXOVSA-N 2 2 310.441 3.907 20 0 DHADLP C[NH+](Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000362385830 1027178496 /nfs/dbraw/zinc/17/84/96/1027178496.db2.gz JJNDXUJVLVBYPS-DFNIBXOVSA-N 2 2 310.441 3.907 20 0 DHADLP C[NH+](Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000362385830 1027178499 /nfs/dbraw/zinc/17/84/99/1027178499.db2.gz JJNDXUJVLVBYPS-DFNIBXOVSA-N 2 2 310.441 3.907 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000271964412 1027188734 /nfs/dbraw/zinc/18/87/34/1027188734.db2.gz MBVCGAMQZQAXSY-INIZCTEOSA-N 2 2 323.415 3.964 20 0 DHADLP c1cn(CCC[NH2+][C@@H](COc2ccccc2)c2ccccc2)c[nH+]1 ZINC000271983729 1027194279 /nfs/dbraw/zinc/19/42/79/1027194279.db2.gz FBJNBJAUHOBRRD-FQEVSTJZSA-N 2 2 321.424 3.683 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3c(F)ccc(C)c3F)CC2)[nH+]c1C ZINC000931747953 1027240295 /nfs/dbraw/zinc/24/02/95/1027240295.db2.gz DRVNLZVBPZYJNV-UHFFFAOYSA-N 2 2 319.399 3.993 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167949001 1027263120 /nfs/dbraw/zinc/26/31/20/1027263120.db2.gz RENGRLQXKQNBMA-HGKCTWBKSA-N 2 2 302.437 3.520 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167949001 1027263136 /nfs/dbraw/zinc/26/31/36/1027263136.db2.gz RENGRLQXKQNBMA-HGKCTWBKSA-N 2 2 302.437 3.520 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167949003 1027263455 /nfs/dbraw/zinc/26/34/55/1027263455.db2.gz RENGRLQXKQNBMA-MNZLEMJZSA-N 2 2 302.437 3.520 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167949003 1027263470 /nfs/dbraw/zinc/26/34/70/1027263470.db2.gz RENGRLQXKQNBMA-MNZLEMJZSA-N 2 2 302.437 3.520 20 0 DHADLP Fc1cc(Cl)cc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000362526577 1027266790 /nfs/dbraw/zinc/26/67/90/1027266790.db2.gz SORMZPGQEGCLTK-UHFFFAOYSA-N 2 2 307.800 3.856 20 0 DHADLP Cc1sc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)nc1C(C)C ZINC000422718033 1027302692 /nfs/dbraw/zinc/30/26/92/1027302692.db2.gz WKPZFPNTBVGLHU-DZGCQCFKSA-N 2 2 309.523 3.975 20 0 DHADLP CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422717043 1027304194 /nfs/dbraw/zinc/30/41/94/1027304194.db2.gz OBQUIHZMAFTEHD-VYDXJSESSA-N 2 2 322.518 3.605 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2OCC2CC2)c2ccccc21 ZINC000422755837 1027315549 /nfs/dbraw/zinc/31/55/49/1027315549.db2.gz BRLOXOQTEBJYMJ-OALUTQOASA-N 2 2 308.425 3.710 20 0 DHADLP CSc1ccc(F)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422812821 1027332287 /nfs/dbraw/zinc/33/22/87/1027332287.db2.gz WZSWEBVENKDAFP-DYVFJYSZSA-N 2 2 318.461 3.596 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+][C@H]3C[NH2+]CC[C@@H]3C)cc2)cs1 ZINC000422807753 1027332914 /nfs/dbraw/zinc/33/29/14/1027332914.db2.gz PJNRZISGMQVZEI-DCGLDWPTSA-N 2 2 315.486 3.767 20 0 DHADLP COc1ccc(-c2csc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)c2)cc1 ZINC000422834050 1027335920 /nfs/dbraw/zinc/33/59/20/1027335920.db2.gz ZJLSRNCYYNYNOA-SCLBCKFNSA-N 2 2 316.470 3.511 20 0 DHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000574030974 1027356386 /nfs/dbraw/zinc/35/63/86/1027356386.db2.gz HJEUCUGJPOMFPF-CYBMUJFWSA-N 2 2 307.825 3.676 20 0 DHADLP C[C@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423013220 1027388892 /nfs/dbraw/zinc/38/88/92/1027388892.db2.gz FLZDPKZRWYTEKE-IUIKQTSFSA-N 2 2 312.379 3.887 20 0 DHADLP COc1ccc([C@H]([NH2+]C2CCC(F)(F)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423017333 1027390033 /nfs/dbraw/zinc/39/00/33/1027390033.db2.gz WAHVLCGDJHEWKR-SJORKVTESA-N 2 2 324.415 3.656 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCC3CC3)CC2)cc1 ZINC000812835875 1027436414 /nfs/dbraw/zinc/43/64/14/1027436414.db2.gz XWDZYFBSOYFTLR-UHFFFAOYSA-N 2 2 301.478 3.501 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC(C)(C)C3)CC2)cc1 ZINC000812842420 1027439998 /nfs/dbraw/zinc/43/99/98/1027439998.db2.gz JZGLICNFOMNCDD-KRWDZBQOSA-N 2 2 315.505 3.890 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000423234260 1027456258 /nfs/dbraw/zinc/45/62/58/1027456258.db2.gz FKIMAYSNMUVIRW-WJFTUGDTSA-N 2 2 316.489 3.603 20 0 DHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423237632 1027456744 /nfs/dbraw/zinc/45/67/44/1027456744.db2.gz QDHWWSGEDIVRTF-XHDPSFHLSA-N 2 2 319.449 3.660 20 0 DHADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000423239304 1027458885 /nfs/dbraw/zinc/45/88/85/1027458885.db2.gz JTOYLJGXAORQAX-BLLLJJGKSA-N 2 2 324.346 3.936 20 0 DHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCCO2 ZINC000423232948 1027469111 /nfs/dbraw/zinc/46/91/11/1027469111.db2.gz CVAAKEGKJZMBEE-RTBURBONSA-N 2 2 310.441 3.807 20 0 DHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000423264690 1027469421 /nfs/dbraw/zinc/46/94/21/1027469421.db2.gz QCKDAQMFTGXCLL-OLZOCXBDSA-N 2 2 300.393 3.620 20 0 DHADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000423269097 1027488921 /nfs/dbraw/zinc/48/89/21/1027488921.db2.gz GMXURNFZCZXDOU-IERDGZPVSA-N 2 2 319.452 3.769 20 0 DHADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423273486 1027490042 /nfs/dbraw/zinc/49/00/42/1027490042.db2.gz JAMPFLIWDQREPJ-NOZJJQNGSA-N 2 2 323.234 3.583 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000423295242 1027504858 /nfs/dbraw/zinc/50/48/58/1027504858.db2.gz DSBHXLNNHAPKRA-LSDHHAIUSA-N 2 2 318.383 3.500 20 0 DHADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1OCc1ccccc1 ZINC000423329543 1027510298 /nfs/dbraw/zinc/51/02/98/1027510298.db2.gz SZSZZZQTPMXHFW-BEFAXECRSA-N 2 2 310.441 3.654 20 0 DHADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000423481514 1027564101 /nfs/dbraw/zinc/56/41/01/1027564101.db2.gz WTUQASNZPZSSME-BXKDBHETSA-N 2 2 311.223 3.583 20 0 DHADLP Cc1[nH]c(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)[nH+]c1C ZINC000576173055 1027578023 /nfs/dbraw/zinc/57/80/23/1027578023.db2.gz DWNRAQQSBWQVOO-UHFFFAOYSA-N 2 2 309.417 3.715 20 0 DHADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000423524932 1027581728 /nfs/dbraw/zinc/58/17/28/1027581728.db2.gz JWSYFYVHMIBOBB-RRQGHBQHSA-N 2 2 300.471 3.717 20 0 DHADLP Cc1cc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000527694756 1027829382 /nfs/dbraw/zinc/82/93/82/1027829382.db2.gz KLPFBIPRUQXQNM-HXUWFJFHSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1cc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000527694756 1027829394 /nfs/dbraw/zinc/82/93/94/1027829394.db2.gz KLPFBIPRUQXQNM-HXUWFJFHSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccnc(C)c2)c(C)c1 ZINC000527685950 1027846023 /nfs/dbraw/zinc/84/60/23/1027846023.db2.gz YKTJFBPBXGQIFX-FQEVSTJZSA-N 2 2 320.440 3.734 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCC=CO2)[C@@H]1c1cccc(Cl)c1 ZINC000364604316 1027852300 /nfs/dbraw/zinc/85/23/00/1027852300.db2.gz JOXNKFLDUKYCJQ-NXHRZFHOSA-N 2 2 320.864 3.615 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCC=CO2)[C@@H]1c1cccc(Cl)c1 ZINC000364604316 1027852314 /nfs/dbraw/zinc/85/23/14/1027852314.db2.gz JOXNKFLDUKYCJQ-NXHRZFHOSA-N 2 2 320.864 3.615 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527806868 1027895669 /nfs/dbraw/zinc/89/56/69/1027895669.db2.gz FXPNOXHJDLRLQL-VNHYZAJKSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527806868 1027895696 /nfs/dbraw/zinc/89/56/96/1027895696.db2.gz FXPNOXHJDLRLQL-VNHYZAJKSA-N 2 2 304.400 3.714 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000365470865 1027950632 /nfs/dbraw/zinc/95/06/32/1027950632.db2.gz JOHQJQRZQOMXTF-ZDUSSCGKSA-N 2 2 321.515 3.788 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000365470865 1027950642 /nfs/dbraw/zinc/95/06/42/1027950642.db2.gz JOHQJQRZQOMXTF-ZDUSSCGKSA-N 2 2 321.515 3.788 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000365619817 1027981466 /nfs/dbraw/zinc/98/14/66/1027981466.db2.gz BUTYJUIMHNFQDM-CYBMUJFWSA-N 2 2 318.490 3.554 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000365619817 1027981478 /nfs/dbraw/zinc/98/14/78/1027981478.db2.gz BUTYJUIMHNFQDM-CYBMUJFWSA-N 2 2 318.490 3.554 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]CC1CCC(c3ccccc3)CC1)C2 ZINC000365612208 1027982495 /nfs/dbraw/zinc/98/24/95/1027982495.db2.gz KYJWFSKVZMJQSL-VMWRSERWSA-N 2 2 309.457 3.831 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000528003039 1028031154 /nfs/dbraw/zinc/03/11/54/1028031154.db2.gz RKBLAJXCHREGEV-QSPRXWTASA-N 2 2 304.503 3.847 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000528003039 1028031174 /nfs/dbraw/zinc/03/11/74/1028031174.db2.gz RKBLAJXCHREGEV-QSPRXWTASA-N 2 2 304.503 3.847 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578049809 1028032773 /nfs/dbraw/zinc/03/27/73/1028032773.db2.gz DQJBCHAHAJEOBQ-SQRWCISFSA-N 2 2 308.416 3.642 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578049809 1028032787 /nfs/dbraw/zinc/03/27/87/1028032787.db2.gz DQJBCHAHAJEOBQ-SQRWCISFSA-N 2 2 308.416 3.642 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(OC)c1 ZINC000528010918 1028039961 /nfs/dbraw/zinc/03/99/61/1028039961.db2.gz KOKIJBXWNCCMIB-MJGOQNOKSA-N 2 2 302.462 3.753 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(OC)c1 ZINC000528010918 1028039973 /nfs/dbraw/zinc/03/99/73/1028039973.db2.gz KOKIJBXWNCCMIB-MJGOQNOKSA-N 2 2 302.462 3.753 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2[NH+]2CCOCC2)c(C)s1 ZINC000366217200 1028064565 /nfs/dbraw/zinc/06/45/65/1028064565.db2.gz DXWAMYRLAGHBMI-YXJHDRRASA-N 2 2 322.518 3.516 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@H](c3ccncc3)C3CC3)cc2)c[nH+]1 ZINC000934690886 1028073591 /nfs/dbraw/zinc/07/35/91/1028073591.db2.gz GFEAKNJRHZBDSQ-IBGZPJMESA-N 2 2 304.397 3.508 20 0 DHADLP Cc1cc(F)ccc1C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000367475390 1028191919 /nfs/dbraw/zinc/19/19/19/1028191919.db2.gz WJONBGHBOVPVPC-UHFFFAOYSA-N 2 2 313.420 3.630 20 0 DHADLP Cc1cc(F)ccc1C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000367475390 1028191928 /nfs/dbraw/zinc/19/19/28/1028191928.db2.gz WJONBGHBOVPVPC-UHFFFAOYSA-N 2 2 313.420 3.630 20 0 DHADLP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000367573609 1028207078 /nfs/dbraw/zinc/20/70/78/1028207078.db2.gz FKYJZDIQENLLHE-SJCJKPOMSA-N 2 2 306.425 3.500 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000449018114 1028250018 /nfs/dbraw/zinc/25/00/18/1028250018.db2.gz RJDYIIFCYFXFMA-QGZVFWFLSA-N 2 2 321.424 3.951 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000449018114 1028250030 /nfs/dbraw/zinc/25/00/30/1028250030.db2.gz RJDYIIFCYFXFMA-QGZVFWFLSA-N 2 2 321.424 3.951 20 0 DHADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000367996920 1028272354 /nfs/dbraw/zinc/27/23/54/1028272354.db2.gz KGKHHNFXGMBJKX-IMBTUZDBSA-N 2 2 320.525 3.607 20 0 DHADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000367996920 1028272369 /nfs/dbraw/zinc/27/23/69/1028272369.db2.gz KGKHHNFXGMBJKX-IMBTUZDBSA-N 2 2 320.525 3.607 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000449024944 1028295972 /nfs/dbraw/zinc/29/59/72/1028295972.db2.gz AJXGAIWOOZMWRG-BEFAXECRSA-N 2 2 312.457 3.763 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000449024944 1028295987 /nfs/dbraw/zinc/29/59/87/1028295987.db2.gz AJXGAIWOOZMWRG-BEFAXECRSA-N 2 2 312.457 3.763 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449024944 1028296006 /nfs/dbraw/zinc/29/60/06/1028296006.db2.gz AJXGAIWOOZMWRG-BEFAXECRSA-N 2 2 312.457 3.763 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449024944 1028296017 /nfs/dbraw/zinc/29/60/17/1028296017.db2.gz AJXGAIWOOZMWRG-BEFAXECRSA-N 2 2 312.457 3.763 20 0 DHADLP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101847 1028297485 /nfs/dbraw/zinc/29/74/85/1028297485.db2.gz VRZXQRPSNYCHLS-KDOFPFPSSA-N 2 2 315.486 3.674 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000368100882 1028297595 /nfs/dbraw/zinc/29/75/95/1028297595.db2.gz IRYCXCSYNPELPL-ONGXEEELSA-N 2 2 310.228 3.925 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000449024945 1028298191 /nfs/dbraw/zinc/29/81/91/1028298191.db2.gz AJXGAIWOOZMWRG-DNVCBOLYSA-N 2 2 312.457 3.763 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000449024945 1028298200 /nfs/dbraw/zinc/29/82/00/1028298200.db2.gz AJXGAIWOOZMWRG-DNVCBOLYSA-N 2 2 312.457 3.763 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449024945 1028298204 /nfs/dbraw/zinc/29/82/04/1028298204.db2.gz AJXGAIWOOZMWRG-DNVCBOLYSA-N 2 2 312.457 3.763 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449024945 1028298207 /nfs/dbraw/zinc/29/82/07/1028298207.db2.gz AJXGAIWOOZMWRG-DNVCBOLYSA-N 2 2 312.457 3.763 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCCCCC3)sc2C1 ZINC000368243791 1028325033 /nfs/dbraw/zinc/32/50/33/1028325033.db2.gz LZYZUMMHZKFCOL-UHFFFAOYSA-N 2 2 307.507 3.676 20 0 DHADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449081075 1028345060 /nfs/dbraw/zinc/34/50/60/1028345060.db2.gz BOLPUGORYPOYIL-MUYFXNHWSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449081075 1028345078 /nfs/dbraw/zinc/34/50/78/1028345078.db2.gz BOLPUGORYPOYIL-MUYFXNHWSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000449143856 1028397861 /nfs/dbraw/zinc/39/78/61/1028397861.db2.gz XWRFTUBYTAYCFW-HZPDHXFCSA-N 2 2 300.446 3.930 20 0 DHADLP CCC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCCC1 ZINC000449155079 1028406192 /nfs/dbraw/zinc/40/61/92/1028406192.db2.gz OWOLWBPPTGFTAC-SFHVURJKSA-N 2 2 310.526 3.824 20 0 DHADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449170331 1028411690 /nfs/dbraw/zinc/41/16/90/1028411690.db2.gz IGSDAIYNQYHCIU-OUCADQQQSA-N 2 2 312.379 3.554 20 0 DHADLP COc1cccc2c(C[NH2+]C[C@@H]3CCCn4cc[nH+]c43)cccc12 ZINC000449166406 1028423871 /nfs/dbraw/zinc/42/38/71/1028423871.db2.gz CQFWXFIAAOHGHY-INIZCTEOSA-N 2 2 321.424 3.712 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)c1ccc(Cl)cc1 ZINC000369390821 1028484469 /nfs/dbraw/zinc/48/44/69/1028484469.db2.gz FKLNFLAQMZHIDQ-HZPDHXFCSA-N 2 2 303.837 3.901 20 0 DHADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000449329261 1028538897 /nfs/dbraw/zinc/53/88/97/1028538897.db2.gz IBEMHQJTLGRCST-CDHQVMDDSA-N 2 2 321.424 3.926 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000449331672 1028541959 /nfs/dbraw/zinc/54/19/59/1028541959.db2.gz OXVJLXZEXYZLPF-HNAYVOBHSA-N 2 2 312.457 3.620 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000449331672 1028541970 /nfs/dbraw/zinc/54/19/70/1028541970.db2.gz OXVJLXZEXYZLPF-HNAYVOBHSA-N 2 2 312.457 3.620 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000449331672 1028541982 /nfs/dbraw/zinc/54/19/82/1028541982.db2.gz OXVJLXZEXYZLPF-HNAYVOBHSA-N 2 2 312.457 3.620 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000449331672 1028541988 /nfs/dbraw/zinc/54/19/88/1028541988.db2.gz OXVJLXZEXYZLPF-HNAYVOBHSA-N 2 2 312.457 3.620 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2F)s1 ZINC000449323674 1028552690 /nfs/dbraw/zinc/55/26/90/1028552690.db2.gz AJXOMYXHSSVXKX-UHFFFAOYSA-N 2 2 321.465 3.723 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2F)s1 ZINC000449323674 1028552701 /nfs/dbraw/zinc/55/27/01/1028552701.db2.gz AJXOMYXHSSVXKX-UHFFFAOYSA-N 2 2 321.465 3.723 20 0 DHADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(C2CC2)c1 ZINC000449349099 1028561446 /nfs/dbraw/zinc/56/14/46/1028561446.db2.gz IMWQHUIYHWWHIS-CYBMUJFWSA-N 2 2 315.486 3.933 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H](C)c1ccccc1 ZINC000370175437 1028575081 /nfs/dbraw/zinc/57/50/81/1028575081.db2.gz UDNJPIRVLIBEIN-JWWGGVBKSA-N 2 2 323.484 3.856 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H](C)c1ccccc1 ZINC000370175437 1028575092 /nfs/dbraw/zinc/57/50/92/1028575092.db2.gz UDNJPIRVLIBEIN-JWWGGVBKSA-N 2 2 323.484 3.856 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370659493 1028631680 /nfs/dbraw/zinc/63/16/80/1028631680.db2.gz SUXIAXJUTDHFLE-QRQLOZEOSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370659493 1028631687 /nfs/dbraw/zinc/63/16/87/1028631687.db2.gz SUXIAXJUTDHFLE-QRQLOZEOSA-N 2 2 315.505 3.708 20 0 DHADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370724199 1028643750 /nfs/dbraw/zinc/64/37/50/1028643750.db2.gz XIWXCISOTSFEHT-LULLPPNCSA-N 2 2 303.494 3.879 20 0 DHADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370724199 1028643756 /nfs/dbraw/zinc/64/37/56/1028643756.db2.gz XIWXCISOTSFEHT-LULLPPNCSA-N 2 2 303.494 3.879 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cs1 ZINC000370910051 1028651191 /nfs/dbraw/zinc/65/11/91/1028651191.db2.gz YUFNIFHVLRUZAC-GHJWDPDVSA-N 2 2 321.515 3.857 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000370910051 1028651194 /nfs/dbraw/zinc/65/11/94/1028651194.db2.gz YUFNIFHVLRUZAC-GHJWDPDVSA-N 2 2 321.515 3.857 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000119143425 1028702135 /nfs/dbraw/zinc/70/21/35/1028702135.db2.gz QUUPBJZLQZXSIA-TYCQWZJGSA-N 2 2 321.468 3.569 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000119143425 1028702152 /nfs/dbraw/zinc/70/21/52/1028702152.db2.gz QUUPBJZLQZXSIA-TYCQWZJGSA-N 2 2 321.468 3.569 20 0 DHADLP Cc1ccc([C@@H](c2ccccn2)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000371477543 1028718235 /nfs/dbraw/zinc/71/82/35/1028718235.db2.gz MXHODGYINMKCGG-FQEVSTJZSA-N 2 2 320.440 3.698 20 0 DHADLP Cc1ccc([C@@H](c2ccccn2)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000371477543 1028718245 /nfs/dbraw/zinc/71/82/45/1028718245.db2.gz MXHODGYINMKCGG-FQEVSTJZSA-N 2 2 320.440 3.698 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000566793458 1028781749 /nfs/dbraw/zinc/78/17/49/1028781749.db2.gz IRPHQVVAAKWPGS-JXFKEZNVSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000566793458 1028781758 /nfs/dbraw/zinc/78/17/58/1028781758.db2.gz IRPHQVVAAKWPGS-JXFKEZNVSA-N 2 2 321.468 3.996 20 0 DHADLP Clc1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)cc2)cc1 ZINC000566811706 1028786690 /nfs/dbraw/zinc/78/66/90/1028786690.db2.gz FYACRIMVKBFINQ-UHFFFAOYSA-N 2 2 311.816 3.993 20 0 DHADLP CCc1ncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000449607271 1028838565 /nfs/dbraw/zinc/83/85/65/1028838565.db2.gz ALJNYSGZPDPYTE-ZDUSSCGKSA-N 2 2 310.401 3.582 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Cl)cc1F)CCC2 ZINC000372595970 1028873592 /nfs/dbraw/zinc/87/35/92/1028873592.db2.gz RIOPTUZOYRSVOM-ZDUSSCGKSA-N 2 2 307.800 3.651 20 0 DHADLP C[NH+](C)CCCC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000567749037 1028948767 /nfs/dbraw/zinc/94/87/67/1028948767.db2.gz QXDHXUAVGGYRFH-UHFFFAOYSA-N 2 2 315.436 3.932 20 0 DHADLP C[C@]1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCCS1 ZINC000628297429 1028995208 /nfs/dbraw/zinc/99/52/08/1028995208.db2.gz WUVSEGHPRWDPTD-MRXNPFEDSA-N 2 2 321.877 3.901 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC2(C)C)CCOCC1)c1ccccc1 ZINC000568076659 1029002171 /nfs/dbraw/zinc/00/21/71/1029002171.db2.gz PKBAVOBPPOJVAI-WMZOPIPTSA-N 2 2 316.489 3.665 20 0 DHADLP C[C@@H]1C[C@H](n2c[nH+]c3c2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000628371725 1029021024 /nfs/dbraw/zinc/02/10/24/1029021024.db2.gz ZRIRJUCBKKAMPN-SJLPKXTDSA-N 2 2 309.457 3.988 20 0 DHADLP C[C@@H]1C[C@H](n2c[nH+]c3c2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000628371725 1029021037 /nfs/dbraw/zinc/02/10/37/1029021037.db2.gz ZRIRJUCBKKAMPN-SJLPKXTDSA-N 2 2 309.457 3.988 20 0 DHADLP C[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373490867 1029058967 /nfs/dbraw/zinc/05/89/67/1029058967.db2.gz RUROARQWJBHSGK-UUNGTBAKSA-N 2 2 318.427 3.960 20 0 DHADLP CC(C)Oc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373488563 1029060211 /nfs/dbraw/zinc/06/02/11/1029060211.db2.gz ZUZSSZMWTUHHFI-UHFFFAOYSA-N 2 2 302.462 3.580 20 0 DHADLP C[C@H](CCC1CC1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373487868 1029061444 /nfs/dbraw/zinc/06/14/44/1029061444.db2.gz XVZIMZNNCHJZAV-UWTIGNOOSA-N 2 2 318.427 3.960 20 0 DHADLP c1csc(CC2C[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000628478499 1029069882 /nfs/dbraw/zinc/06/98/82/1029069882.db2.gz FJQYCYKVWLVWPR-UHFFFAOYSA-N 2 2 309.438 3.608 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411248008 1029079380 /nfs/dbraw/zinc/07/93/80/1029079380.db2.gz SRMQISGITZYZBJ-BZSNNMDCSA-N 2 2 313.420 3.778 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411248008 1029079397 /nfs/dbraw/zinc/07/93/97/1029079397.db2.gz SRMQISGITZYZBJ-BZSNNMDCSA-N 2 2 313.420 3.778 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000568813997 1029129966 /nfs/dbraw/zinc/12/99/66/1029129966.db2.gz MXIUZYWUXPFPLP-IUPXNIOVSA-N 2 2 308.416 3.675 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000568813997 1029129972 /nfs/dbraw/zinc/12/99/72/1029129972.db2.gz MXIUZYWUXPFPLP-IUPXNIOVSA-N 2 2 308.416 3.675 20 0 DHADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000779349292 1029184307 /nfs/dbraw/zinc/18/43/07/1029184307.db2.gz YCGNASRXTULOAO-HNAYVOBHSA-N 2 2 302.437 3.836 20 0 DHADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000779349292 1029184320 /nfs/dbraw/zinc/18/43/20/1029184320.db2.gz YCGNASRXTULOAO-HNAYVOBHSA-N 2 2 302.437 3.836 20 0 DHADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000779349269 1029185095 /nfs/dbraw/zinc/18/50/95/1029185095.db2.gz YCGNASRXTULOAO-BEFAXECRSA-N 2 2 302.437 3.836 20 0 DHADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000779349269 1029185103 /nfs/dbraw/zinc/18/51/03/1029185103.db2.gz YCGNASRXTULOAO-BEFAXECRSA-N 2 2 302.437 3.836 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(OC(C)C)c1)CCC2 ZINC000374143720 1029220755 /nfs/dbraw/zinc/22/07/55/1029220755.db2.gz NRAIJZKZZFJEFO-KRWDZBQOSA-N 2 2 313.445 3.646 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(SC(F)F)cc1 ZINC000817950716 1029291067 /nfs/dbraw/zinc/29/10/67/1029291067.db2.gz XLMFPOAUFMFQBH-YPMHNXCESA-N 2 2 300.418 3.794 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000374369049 1029317592 /nfs/dbraw/zinc/31/75/92/1029317592.db2.gz XQGDBFPRTLFYBF-LBPRGKRZSA-N 2 2 312.804 3.616 20 0 DHADLP CC(C)[NH2+]C1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450299609 1029331964 /nfs/dbraw/zinc/33/19/64/1029331964.db2.gz BNVODGVUHFGUNY-UHFFFAOYSA-N 2 2 321.827 3.994 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629521168 1029354048 /nfs/dbraw/zinc/35/40/48/1029354048.db2.gz RKSQFGPVMSMVBG-KGLIPLIRSA-N 2 2 311.256 3.855 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1OCC ZINC000629540843 1029360131 /nfs/dbraw/zinc/36/01/31/1029360131.db2.gz SZYHLBKNQJITPM-OIISXLGYSA-N 2 2 320.477 3.665 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1OCC ZINC000629540848 1029361982 /nfs/dbraw/zinc/36/19/82/1029361982.db2.gz SZYHLBKNQJITPM-UAGQMJEPSA-N 2 2 320.477 3.665 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(OCc2ccccc2)cc1 ZINC000629544897 1029364272 /nfs/dbraw/zinc/36/42/72/1029364272.db2.gz HCSNLCBVWUZPSG-TWOQFEAHSA-N 2 2 310.441 3.667 20 0 DHADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000374578482 1029394667 /nfs/dbraw/zinc/39/46/67/1029394667.db2.gz VFKVUODAPMSXHJ-RBUKOAKNSA-N 2 2 311.473 3.988 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000629657401 1029410386 /nfs/dbraw/zinc/41/03/86/1029410386.db2.gz XMSQMCMFTQWNNG-OLZOCXBDSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000629657401 1029410388 /nfs/dbraw/zinc/41/03/88/1029410388.db2.gz XMSQMCMFTQWNNG-OLZOCXBDSA-N 2 2 320.786 3.608 20 0 DHADLP C[N@H+](Cc1ccsc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000529567505 1029424185 /nfs/dbraw/zinc/42/41/85/1029424185.db2.gz WCLSYIKJZRNNIS-FUNVUKJBSA-N 2 2 318.408 3.824 20 0 DHADLP C[N@@H+](Cc1ccsc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000529567505 1029424187 /nfs/dbraw/zinc/42/41/87/1029424187.db2.gz WCLSYIKJZRNNIS-FUNVUKJBSA-N 2 2 318.408 3.824 20 0 DHADLP C[NH+](Cc1ccsc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000529567505 1029424197 /nfs/dbraw/zinc/42/41/97/1029424197.db2.gz WCLSYIKJZRNNIS-FUNVUKJBSA-N 2 2 318.408 3.824 20 0 DHADLP C[NH+](Cc1ccsc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000529567505 1029424209 /nfs/dbraw/zinc/42/42/09/1029424209.db2.gz WCLSYIKJZRNNIS-FUNVUKJBSA-N 2 2 318.408 3.824 20 0 DHADLP C[N@H+]1CC=C(CNc2cc[nH+]c3cc(F)c(Cl)cc23)CC1 ZINC000450427657 1029457858 /nfs/dbraw/zinc/45/78/58/1029457858.db2.gz SYZYFZPYICDUDJ-UHFFFAOYSA-N 2 2 305.784 3.701 20 0 DHADLP C[N@@H+]1CC=C(CNc2cc[nH+]c3cc(F)c(Cl)cc23)CC1 ZINC000450427657 1029457866 /nfs/dbraw/zinc/45/78/66/1029457866.db2.gz SYZYFZPYICDUDJ-UHFFFAOYSA-N 2 2 305.784 3.701 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC2CC2)C[C@H]1C ZINC000450466905 1029495379 /nfs/dbraw/zinc/49/53/79/1029495379.db2.gz KDBQZYJRSQBRIJ-WBVHZDCISA-N 2 2 302.462 3.532 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC2CC2)C[C@H]1C ZINC000450466905 1029495385 /nfs/dbraw/zinc/49/53/85/1029495385.db2.gz KDBQZYJRSQBRIJ-WBVHZDCISA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OC2CC2)C[C@H]1C ZINC000450466905 1029495389 /nfs/dbraw/zinc/49/53/89/1029495389.db2.gz KDBQZYJRSQBRIJ-WBVHZDCISA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OC2CC2)C[C@H]1C ZINC000450466905 1029495396 /nfs/dbraw/zinc/49/53/96/1029495396.db2.gz KDBQZYJRSQBRIJ-WBVHZDCISA-N 2 2 302.462 3.532 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000450868831 1029715398 /nfs/dbraw/zinc/71/53/98/1029715398.db2.gz ABIGQELLUNPPOG-HOCLYGCPSA-N 2 2 309.523 3.640 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 ZINC000450868831 1029715406 /nfs/dbraw/zinc/71/54/06/1029715406.db2.gz ABIGQELLUNPPOG-HOCLYGCPSA-N 2 2 309.523 3.640 20 0 DHADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CC(C)C)C1 ZINC000450868831 1029715412 /nfs/dbraw/zinc/71/54/12/1029715412.db2.gz ABIGQELLUNPPOG-HOCLYGCPSA-N 2 2 309.523 3.640 20 0 DHADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CC(C)C)C1 ZINC000450868831 1029715417 /nfs/dbraw/zinc/71/54/17/1029715417.db2.gz ABIGQELLUNPPOG-HOCLYGCPSA-N 2 2 309.523 3.640 20 0 DHADLP CC[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000303524535 1029776358 /nfs/dbraw/zinc/77/63/58/1029776358.db2.gz ZQWLFCXGRWDHDZ-SFHVURJKSA-N 2 2 315.436 3.784 20 0 DHADLP CC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000303524535 1029776367 /nfs/dbraw/zinc/77/63/67/1029776367.db2.gz ZQWLFCXGRWDHDZ-SFHVURJKSA-N 2 2 315.436 3.784 20 0 DHADLP Fc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000820836086 1029779318 /nfs/dbraw/zinc/77/93/18/1029779318.db2.gz KITRBIJRHBKDQK-VHRNVKJDSA-N 2 2 300.421 3.562 20 0 DHADLP Fc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000820836086 1029779324 /nfs/dbraw/zinc/77/93/24/1029779324.db2.gz KITRBIJRHBKDQK-VHRNVKJDSA-N 2 2 300.421 3.562 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)F)cc1 ZINC000530224946 1029783854 /nfs/dbraw/zinc/78/38/54/1029783854.db2.gz WEMNLPAZLIQEDU-GJZGRUSLSA-N 2 2 310.388 3.613 20 0 DHADLP Clc1cccc(Cl)c1CSCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246175719 1029987552 /nfs/dbraw/zinc/98/75/52/1029987552.db2.gz APBHNBKHFKTTHB-NSHDSACASA-N 2 2 319.301 3.568 20 0 DHADLP CSC1(C[NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000290536993 1030095622 /nfs/dbraw/zinc/09/56/22/1030095622.db2.gz YMTGMJNERHSTAM-UHFFFAOYSA-N 2 2 319.518 3.525 20 0 DHADLP CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000452039300 1030105951 /nfs/dbraw/zinc/10/59/51/1030105951.db2.gz FDSGVMBVHNUYGC-RTBURBONSA-N 2 2 313.445 3.618 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)c2ccccn2)cc1 ZINC000924717422 1030171634 /nfs/dbraw/zinc/17/16/34/1030171634.db2.gz UQXBSWOVNFJTLG-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000866238125 1030172729 /nfs/dbraw/zinc/17/27/29/1030172729.db2.gz MHMKGDYGSDFTDT-KBXCAEBGSA-N 2 2 301.409 3.716 20 0 DHADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]CCCCn1cc[nH+]c1 ZINC000866238512 1030173144 /nfs/dbraw/zinc/17/31/44/1030173144.db2.gz PIVOKCLYAZEQNM-KRWDZBQOSA-N 2 2 322.456 3.822 20 0 DHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2c(ccnc2Cl)o1 ZINC000866238580 1030173583 /nfs/dbraw/zinc/17/35/83/1030173583.db2.gz PWOHFAKHGBSQHH-GFCCVEGCSA-N 2 2 318.808 3.809 20 0 DHADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000866244090 1030176149 /nfs/dbraw/zinc/17/61/49/1030176149.db2.gz XWSODKDNNIHYFQ-FQEVSTJZSA-N 2 2 319.408 3.658 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(OC)n1 ZINC000924768509 1030181527 /nfs/dbraw/zinc/18/15/27/1030181527.db2.gz GMRKRVVNMPHZMX-MRXNPFEDSA-N 2 2 322.412 3.517 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1csc(C(F)(F)F)c1 ZINC000925144589 1030285246 /nfs/dbraw/zinc/28/52/46/1030285246.db2.gz VAQPZPUFMSXKBH-JFGNBEQYSA-N 2 2 306.397 3.900 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1csc(C(F)(F)F)c1 ZINC000925144589 1030285263 /nfs/dbraw/zinc/28/52/63/1030285263.db2.gz VAQPZPUFMSXKBH-JFGNBEQYSA-N 2 2 306.397 3.900 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cc(O)cc(F)c1 ZINC000925204781 1030305208 /nfs/dbraw/zinc/30/52/08/1030305208.db2.gz GOYJADZFPOHAJU-AWEZNQCLSA-N 2 2 320.452 3.979 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(-c2ccccc2)no1 ZINC000925232575 1030315620 /nfs/dbraw/zinc/31/56/20/1030315620.db2.gz NSZZLWBZCQRGGK-OAHLLOKOSA-N 2 2 322.412 3.889 20 0 DHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925517918 1030384242 /nfs/dbraw/zinc/38/42/42/1030384242.db2.gz OVWKLUNTZGGFRT-GKCIPKSASA-N 2 2 310.441 3.751 20 0 DHADLP CC(C)c1csc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925562402 1030404721 /nfs/dbraw/zinc/40/47/21/1030404721.db2.gz WHOMNBXZYRHURS-GJZGRUSLSA-N 2 2 307.507 3.524 20 0 DHADLP [NH3+]CCC[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1 ZINC000925593381 1030414809 /nfs/dbraw/zinc/41/48/09/1030414809.db2.gz FZIZKIQEJYUDKL-LJQANCHMSA-N 2 2 324.472 3.964 20 0 DHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000866707409 1030428708 /nfs/dbraw/zinc/42/87/08/1030428708.db2.gz NXOAQQSDNKFNPK-QGZVFWFLSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000866707409 1030428716 /nfs/dbraw/zinc/42/87/16/1030428716.db2.gz NXOAQQSDNKFNPK-QGZVFWFLSA-N 2 2 319.474 3.600 20 0 DHADLP C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358318689 1030437556 /nfs/dbraw/zinc/43/75/56/1030437556.db2.gz MYIJPALBJXISAT-RDJZCZTQSA-N 2 2 311.429 3.625 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Oc2cccnc2)cc1 ZINC000925669497 1030448973 /nfs/dbraw/zinc/44/89/73/1030448973.db2.gz UNKSHTWKFFKTAU-KXBFYZLASA-N 2 2 323.440 3.809 20 0 DHADLP CC(C)C[C@@H](c1ccccc1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749236 1030476892 /nfs/dbraw/zinc/47/68/92/1030476892.db2.gz WAXAUEYVAAFASB-INIZCTEOSA-N 2 2 315.486 3.747 20 0 DHADLP Clc1cccc2c1CC[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001171048636 1030486852 /nfs/dbraw/zinc/48/68/52/1030486852.db2.gz CBXAYSFEZJEGDE-HUUCEWRRSA-N 2 2 315.848 3.734 20 0 DHADLP CC(C)C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925796957 1030501237 /nfs/dbraw/zinc/50/12/37/1030501237.db2.gz NIQIQAPRKMCPLI-MOPGFXCFSA-N 2 2 316.489 3.522 20 0 DHADLP c1ccc([C@H]2C[C@@H]([NH2+]Cc3nccc4c3CCCC4)CC[NH2+]2)cc1 ZINC000925808150 1030506011 /nfs/dbraw/zinc/50/60/11/1030506011.db2.gz YRVHQDQGTYRQAE-AZUAARDMSA-N 2 2 321.468 3.543 20 0 DHADLP CC[N@H+](Cc1cc2c(cccc2Cl)[nH]1)C1CC[NH+](C)CC1 ZINC001136860764 1030530837 /nfs/dbraw/zinc/53/08/37/1030530837.db2.gz BCLODNGXOLZAEH-UHFFFAOYSA-N 2 2 305.853 3.737 20 0 DHADLP CC[N@@H+](Cc1cc2c(cccc2Cl)[nH]1)C1CC[NH+](C)CC1 ZINC001136860764 1030530842 /nfs/dbraw/zinc/53/08/42/1030530842.db2.gz BCLODNGXOLZAEH-UHFFFAOYSA-N 2 2 305.853 3.737 20 0 DHADLP COCc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000339080280 1030561303 /nfs/dbraw/zinc/56/13/03/1030561303.db2.gz DKRQLNLUTJIGMU-INIZCTEOSA-N 2 2 321.424 3.870 20 0 DHADLP C[C@H](C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)[N@H+](C)C1CC1 ZINC000558405609 1030563167 /nfs/dbraw/zinc/56/31/67/1030563167.db2.gz WHELONJDDQHTLE-CHWSQXEVSA-N 2 2 314.395 3.881 20 0 DHADLP C[C@H](C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)[N@@H+](C)C1CC1 ZINC000558405609 1030563169 /nfs/dbraw/zinc/56/31/69/1030563169.db2.gz WHELONJDDQHTLE-CHWSQXEVSA-N 2 2 314.395 3.881 20 0 DHADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063645 1030625929 /nfs/dbraw/zinc/62/59/29/1030625929.db2.gz NIIVASQJSNUCKW-UONOGXRCSA-N 2 2 313.272 3.535 20 0 DHADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063645 1030625933 /nfs/dbraw/zinc/62/59/33/1030625933.db2.gz NIIVASQJSNUCKW-UONOGXRCSA-N 2 2 313.272 3.535 20 0 DHADLP C[N@H+](Cc1ccc(Cl)cn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001136933419 1030636767 /nfs/dbraw/zinc/63/67/67/1030636767.db2.gz KMMARRNTWOTIDJ-UHFFFAOYSA-N 2 2 321.896 3.964 20 0 DHADLP C[N@@H+](Cc1ccc(Cl)cn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001136933419 1030636776 /nfs/dbraw/zinc/63/67/76/1030636776.db2.gz KMMARRNTWOTIDJ-UHFFFAOYSA-N 2 2 321.896 3.964 20 0 DHADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247446650 1030690553 /nfs/dbraw/zinc/69/05/53/1030690553.db2.gz YHEVPTDGEQDXQE-GJZGRUSLSA-N 2 2 301.409 3.575 20 0 DHADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247446650 1030690559 /nfs/dbraw/zinc/69/05/59/1030690559.db2.gz YHEVPTDGEQDXQE-GJZGRUSLSA-N 2 2 301.409 3.575 20 0 DHADLP C[C@H]1CC[C@H](C)C1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926330248 1030701451 /nfs/dbraw/zinc/70/14/51/1030701451.db2.gz JQDPSVGNTKMBQK-XOEAPDPESA-N 2 2 318.427 3.816 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926354193 1030706347 /nfs/dbraw/zinc/70/63/47/1030706347.db2.gz NTSQVLDLSZXKLN-YJBOKZPZSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926354193 1030706357 /nfs/dbraw/zinc/70/63/57/1030706357.db2.gz NTSQVLDLSZXKLN-YJBOKZPZSA-N 2 2 315.486 3.706 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000926449340 1030746370 /nfs/dbraw/zinc/74/63/70/1030746370.db2.gz FDLRXZWIQVZDNC-APWZRJJASA-N 2 2 321.424 3.742 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc(C)c1O ZINC000359080042 1030766656 /nfs/dbraw/zinc/76/66/56/1030766656.db2.gz DNEBJSZLZRHWFF-UHFFFAOYSA-N 2 2 321.424 3.544 20 0 DHADLP c1csc([C@H]2C[C@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CCO2)c1 ZINC000926565504 1030799586 /nfs/dbraw/zinc/79/95/86/1030799586.db2.gz SWVPGGDGWAVTQD-LTIDMASMSA-N 2 2 320.502 3.575 20 0 DHADLP c1csc([C@H]2C[C@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CCO2)c1 ZINC000926565504 1030799593 /nfs/dbraw/zinc/79/95/93/1030799593.db2.gz SWVPGGDGWAVTQD-LTIDMASMSA-N 2 2 320.502 3.575 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)[C@@H]1c1cccnc1 ZINC000926580381 1030809492 /nfs/dbraw/zinc/80/94/92/1030809492.db2.gz QKCRTCMOXKFHOR-OKYOBFRVSA-N 2 2 315.505 3.879 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)[C@@H]1c1cccnc1 ZINC000926580381 1030809511 /nfs/dbraw/zinc/80/95/11/1030809511.db2.gz QKCRTCMOXKFHOR-OKYOBFRVSA-N 2 2 315.505 3.879 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000926754753 1030906182 /nfs/dbraw/zinc/90/61/82/1030906182.db2.gz RWAGMMSQUMJZIP-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000926754753 1030906193 /nfs/dbraw/zinc/90/61/93/1030906193.db2.gz RWAGMMSQUMJZIP-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)CCC2 ZINC000359325164 1030907584 /nfs/dbraw/zinc/90/75/84/1030907584.db2.gz SAEZSNYMVLKGIN-SJLPKXTDSA-N 2 2 313.420 3.949 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000926762766 1030908688 /nfs/dbraw/zinc/90/86/88/1030908688.db2.gz PEJDLMNDIGXAKI-BEFAXECRSA-N 2 2 316.489 3.582 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000926762766 1030908700 /nfs/dbraw/zinc/90/87/00/1030908700.db2.gz PEJDLMNDIGXAKI-BEFAXECRSA-N 2 2 316.489 3.582 20 0 DHADLP Cc1cnc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c(C)c1 ZINC000926955183 1031015721 /nfs/dbraw/zinc/01/57/21/1031015721.db2.gz QABKUPRPVJSTJB-BEFAXECRSA-N 2 2 315.505 3.831 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccccc1OC(F)F ZINC000359590626 1031049518 /nfs/dbraw/zinc/04/95/18/1031049518.db2.gz IUVMTDJJBDQOFB-HIFRSBDPSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccccc1OC(F)F ZINC000359590626 1031049537 /nfs/dbraw/zinc/04/95/37/1031049537.db2.gz IUVMTDJJBDQOFB-HIFRSBDPSA-N 2 2 312.404 3.813 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000359603307 1031055556 /nfs/dbraw/zinc/05/55/56/1031055556.db2.gz VNILXJNCVIVSEY-CJNGLKHVSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000359603307 1031055573 /nfs/dbraw/zinc/05/55/73/1031055573.db2.gz VNILXJNCVIVSEY-CJNGLKHVSA-N 2 2 308.853 3.628 20 0 DHADLP C[C@@]1(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CC[NH2+]C1 ZINC000261978965 1031083620 /nfs/dbraw/zinc/08/36/20/1031083620.db2.gz IYXLBHNEZASSNB-JKSUJKDBSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@]1(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)CC[NH2+]C1 ZINC000261978965 1031083639 /nfs/dbraw/zinc/08/36/39/1031083639.db2.gz IYXLBHNEZASSNB-JKSUJKDBSA-N 2 2 323.278 3.586 20 0 DHADLP CC(C)O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000292589036 1031085919 /nfs/dbraw/zinc/08/59/19/1031085919.db2.gz UYSOTYUEJLEGCU-HSALFYBXSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000292589036 1031085933 /nfs/dbraw/zinc/08/59/33/1031085933.db2.gz UYSOTYUEJLEGCU-HSALFYBXSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000292589036 1031085940 /nfs/dbraw/zinc/08/59/40/1031085940.db2.gz UYSOTYUEJLEGCU-HSALFYBXSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000292589036 1031085955 /nfs/dbraw/zinc/08/59/55/1031085955.db2.gz UYSOTYUEJLEGCU-HSALFYBXSA-N 2 2 316.489 3.569 20 0 DHADLP C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927160650 1031125264 /nfs/dbraw/zinc/12/52/64/1031125264.db2.gz DHJJLVXKOHSESD-CRAIPNDOSA-N 2 2 311.429 3.625 20 0 DHADLP C[C@@H]([NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC000777615730 1031127899 /nfs/dbraw/zinc/12/78/99/1031127899.db2.gz VHZJHYNGIGXTSL-MRXNPFEDSA-N 2 2 301.478 3.819 20 0 DHADLP Clc1sccc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000359958833 1031217468 /nfs/dbraw/zinc/21/74/68/1031217468.db2.gz OVBNPNKYCZHZSP-UHFFFAOYSA-N 2 2 317.845 3.936 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000360055057 1031258436 /nfs/dbraw/zinc/25/84/36/1031258436.db2.gz OJVBYNWDEUVPEO-IINYFYTJSA-N 2 2 310.228 3.856 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccn2CCC(C)C)C1 ZINC000536695947 1031403373 /nfs/dbraw/zinc/40/33/73/1031403373.db2.gz ONYMVUZGWZJOKK-GOSISDBHSA-N 2 2 305.510 3.698 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccn2CCC(C)C)C1 ZINC000536695947 1031403382 /nfs/dbraw/zinc/40/33/82/1031403382.db2.gz ONYMVUZGWZJOKK-GOSISDBHSA-N 2 2 305.510 3.698 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000536999918 1031486041 /nfs/dbraw/zinc/48/60/41/1031486041.db2.gz GIDSKPYSDRWPQW-IEBWSBKVSA-N 2 2 302.462 3.610 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000536999918 1031486051 /nfs/dbraw/zinc/48/60/51/1031486051.db2.gz GIDSKPYSDRWPQW-IEBWSBKVSA-N 2 2 302.462 3.610 20 0 DHADLP Cc1cccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000537457519 1031622337 /nfs/dbraw/zinc/62/23/37/1031622337.db2.gz HDVDHBZWFDWFIK-QFBILLFUSA-N 2 2 324.472 3.703 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000930056210 1031688169 /nfs/dbraw/zinc/68/81/69/1031688169.db2.gz WLVGQFBXJFINOH-MAUKXSAKSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000930056210 1031688173 /nfs/dbraw/zinc/68/81/73/1031688173.db2.gz WLVGQFBXJFINOH-MAUKXSAKSA-N 2 2 322.412 3.621 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](Cc2cncs2)CC1 ZINC000361154013 1031758835 /nfs/dbraw/zinc/75/88/35/1031758835.db2.gz NJPCPXBMYHUPOS-KRWDZBQOSA-N 2 2 315.486 3.630 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](Cc2cncs2)CC1 ZINC000361154013 1031758839 /nfs/dbraw/zinc/75/88/39/1031758839.db2.gz NJPCPXBMYHUPOS-KRWDZBQOSA-N 2 2 315.486 3.630 20 0 DHADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](Cc2cncs2)CC1 ZINC000361154013 1031758841 /nfs/dbraw/zinc/75/88/41/1031758841.db2.gz NJPCPXBMYHUPOS-KRWDZBQOSA-N 2 2 315.486 3.630 20 0 DHADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2cncs2)CC1 ZINC000361154013 1031758842 /nfs/dbraw/zinc/75/88/42/1031758842.db2.gz NJPCPXBMYHUPOS-KRWDZBQOSA-N 2 2 315.486 3.630 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCc2c(F)cc(F)cc21)c1c[nH+]ccc1N ZINC000643491462 1031791078 /nfs/dbraw/zinc/79/10/78/1031791078.db2.gz WUEMMNISSGBKHP-DYZYQPBXSA-N 2 2 303.356 3.501 20 0 DHADLP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000361236007 1031801474 /nfs/dbraw/zinc/80/14/74/1031801474.db2.gz HCOIHHUANRPGOX-MSOLQXFVSA-N 2 2 313.445 3.554 20 0 DHADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000846148267 1031883407 /nfs/dbraw/zinc/88/34/07/1031883407.db2.gz PLHYEALDASPIFG-VQIMIIECSA-N 2 2 301.478 3.777 20 0 DHADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000846148267 1031883427 /nfs/dbraw/zinc/88/34/27/1031883427.db2.gz PLHYEALDASPIFG-VQIMIIECSA-N 2 2 301.478 3.777 20 0 DHADLP CC(C)[N@H+](Cc1ccc2scnc2c1)C1CC[NH+](C)CC1 ZINC001144743790 1031944751 /nfs/dbraw/zinc/94/47/51/1031944751.db2.gz ABGXKRKRQYKDIU-UHFFFAOYSA-N 2 2 303.475 3.601 20 0 DHADLP CC(C)[N@@H+](Cc1ccc2scnc2c1)C1CC[NH+](C)CC1 ZINC001144743790 1031944758 /nfs/dbraw/zinc/94/47/58/1031944758.db2.gz ABGXKRKRQYKDIU-UHFFFAOYSA-N 2 2 303.475 3.601 20 0 DHADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361493554 1031954006 /nfs/dbraw/zinc/95/40/06/1031954006.db2.gz TUYGJIDAZCEVPN-YWZLYKJASA-N 2 2 303.409 3.895 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000136176210 1033302019 /nfs/dbraw/zinc/30/20/19/1033302019.db2.gz FKYUBHZIXGPGJS-UHFFFAOYSA-N 2 2 313.445 3.899 20 0 DHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172715308 1033350028 /nfs/dbraw/zinc/35/00/28/1033350028.db2.gz HFMTVMKVYUHTFJ-IRXDYDNUSA-N 2 2 306.881 3.517 20 0 DHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172715308 1033350038 /nfs/dbraw/zinc/35/00/38/1033350038.db2.gz HFMTVMKVYUHTFJ-IRXDYDNUSA-N 2 2 306.881 3.517 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927033247 1033372213 /nfs/dbraw/zinc/37/22/13/1033372213.db2.gz SGBLFOQMPNAEQT-IJEWVQPXSA-N 2 2 301.459 3.807 20 0 DHADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000151144714 1033421244 /nfs/dbraw/zinc/42/12/44/1033421244.db2.gz ZSBKNCWKEBJYGD-CQSZACIVSA-N 2 2 309.360 3.616 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[NH+]1CCCCCC1 ZINC001172860483 1033428736 /nfs/dbraw/zinc/42/87/36/1033428736.db2.gz DOLFIOOJQKHZBR-CQSZACIVSA-N 2 2 312.860 3.876 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000152229921 1033509128 /nfs/dbraw/zinc/50/91/28/1033509128.db2.gz XPITVRMHTNRRRD-IBGZPJMESA-N 2 2 319.408 3.658 20 0 DHADLP FC(F)(F)c1coc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000877969027 1033533414 /nfs/dbraw/zinc/53/34/14/1033533414.db2.gz UOSPIFYOFUWJPK-UHFFFAOYSA-N 2 2 316.367 3.606 20 0 DHADLP C([C@H]1C[N@@H+](C2CCC3(CCCCC3)CC2)CCO1)[NH+]1CCCC1 ZINC001173120145 1033553845 /nfs/dbraw/zinc/55/38/45/1033553845.db2.gz DRYVLQJWLVLHQA-IBGZPJMESA-N 2 2 320.521 3.676 20 0 DHADLP C([C@H]1C[N@H+](C2CCC3(CCCCC3)CC2)CCO1)[NH+]1CCCC1 ZINC001173120145 1033553857 /nfs/dbraw/zinc/55/38/57/1033553857.db2.gz DRYVLQJWLVLHQA-IBGZPJMESA-N 2 2 320.521 3.676 20 0 DHADLP Cc1[nH+]cn(CC(Cn2c[nH+]c(C)c2C)C2CCCC2)c1C ZINC000878103091 1033579601 /nfs/dbraw/zinc/57/96/01/1033579601.db2.gz IMPYMHKWTRMKAT-UHFFFAOYSA-N 2 2 300.450 3.820 20 0 DHADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000097287774 1033636965 /nfs/dbraw/zinc/63/69/65/1033636965.db2.gz UWGAXQHWTNFRBV-UHFFFAOYSA-N 2 2 305.425 3.940 20 0 DHADLP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC001173271496 1033641151 /nfs/dbraw/zinc/64/11/51/1033641151.db2.gz GTXLVTDSBLSADN-APWZRJJASA-N 2 2 316.489 3.828 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878318988 1033659127 /nfs/dbraw/zinc/65/91/27/1033659127.db2.gz GRUBUWWTLITCNR-RBUKOAKNSA-N 2 2 313.445 3.515 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878318988 1033659135 /nfs/dbraw/zinc/65/91/35/1033659135.db2.gz GRUBUWWTLITCNR-RBUKOAKNSA-N 2 2 313.445 3.515 20 0 DHADLP CCCCC[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000777202392 1033683771 /nfs/dbraw/zinc/68/37/71/1033683771.db2.gz UARSOJCHLWUYDC-INIZCTEOSA-N 2 2 318.509 3.993 20 0 DHADLP Cc1[nH+]c2c(n1[C@H]1CCCC3(CCCCC3)C1)CC[NH2+]CC2 ZINC001173346750 1033704473 /nfs/dbraw/zinc/70/44/73/1033704473.db2.gz QIXNTNLZVAUQKL-INIZCTEOSA-N 2 2 301.478 3.945 20 0 DHADLP Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667493244 1033765609 /nfs/dbraw/zinc/76/56/09/1033765609.db2.gz NRBODYOEVFUMBC-LJQANCHMSA-N 2 2 322.387 3.744 20 0 DHADLP Fc1ccc([C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667493244 1033765620 /nfs/dbraw/zinc/76/56/20/1033765620.db2.gz NRBODYOEVFUMBC-LJQANCHMSA-N 2 2 322.387 3.744 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@H]21 ZINC001173692180 1033836179 /nfs/dbraw/zinc/83/61/79/1033836179.db2.gz ROHZJENCCZVBLW-JJZDCNPZSA-N 2 2 324.512 3.839 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@H]21 ZINC001173692180 1033836189 /nfs/dbraw/zinc/83/61/89/1033836189.db2.gz ROHZJENCCZVBLW-JJZDCNPZSA-N 2 2 324.512 3.839 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC4(CCc5ccccc54)CC3)C[C@H]21 ZINC001173692180 1033836199 /nfs/dbraw/zinc/83/61/99/1033836199.db2.gz ROHZJENCCZVBLW-JJZDCNPZSA-N 2 2 324.512 3.839 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC4(CCc5ccccc54)CC3)C[C@H]21 ZINC001173692180 1033836212 /nfs/dbraw/zinc/83/62/12/1033836212.db2.gz ROHZJENCCZVBLW-JJZDCNPZSA-N 2 2 324.512 3.839 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)CC[N@@H+]1C ZINC000174517940 1033937549 /nfs/dbraw/zinc/93/75/49/1033937549.db2.gz YBDVKXAEYTWXKJ-WBVHZDCISA-N 2 2 302.462 3.580 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)CC[N@H+]1C ZINC000174517940 1033937557 /nfs/dbraw/zinc/93/75/57/1033937557.db2.gz YBDVKXAEYTWXKJ-WBVHZDCISA-N 2 2 302.462 3.580 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CC[C@@H]3C3CC3)C2)CC1 ZINC000554091753 1033951721 /nfs/dbraw/zinc/95/17/21/1033951721.db2.gz JFIYZVUFDOVDRQ-QDIHITRGSA-N 2 2 316.411 3.570 20 0 DHADLP CCSc1ccccc1C[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000924731225 1033969819 /nfs/dbraw/zinc/96/98/19/1033969819.db2.gz INOLWCRMJAUJOD-INIZCTEOSA-N 2 2 317.502 3.996 20 0 DHADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000554373912 1034124990 /nfs/dbraw/zinc/12/49/90/1034124990.db2.gz OAJJNEAFIQEJOP-BJJXKVORSA-N 2 2 314.395 3.881 20 0 DHADLP C[C@@H]1Cc2ccc(-c3cccc(Cn4cc[nH+]c4)c3)cc2C[NH2+]1 ZINC000863690441 1034179028 /nfs/dbraw/zinc/17/90/28/1034179028.db2.gz PYLHZCFLAHKVJH-OAHLLOKOSA-N 2 2 303.409 3.633 20 0 DHADLP COc1cccc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2(C)C)c1 ZINC000880284454 1034277538 /nfs/dbraw/zinc/27/75/38/1034277538.db2.gz FZYBEKBNTZZOCZ-SFHVURJKSA-N 2 2 313.445 3.550 20 0 DHADLP COc1cccc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2(C)C)c1 ZINC000880284454 1034277553 /nfs/dbraw/zinc/27/75/53/1034277553.db2.gz FZYBEKBNTZZOCZ-SFHVURJKSA-N 2 2 313.445 3.550 20 0 DHADLP CC(C)n1c[nH+]c2cc(Nc3ccnn3-c3cc[nH+]cc3)ccc21 ZINC001174382223 1034357592 /nfs/dbraw/zinc/35/75/92/1034357592.db2.gz FJIKVKMKKBYFFP-UHFFFAOYSA-N 2 2 318.384 3.942 20 0 DHADLP CCc1ccccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568575 1034363608 /nfs/dbraw/zinc/36/36/08/1034363608.db2.gz AAAZRZWHJHKAMY-FQEVSTJZSA-N 2 2 305.425 3.977 20 0 DHADLP FC(F)(F)CCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569630 1034364893 /nfs/dbraw/zinc/36/48/93/1034364893.db2.gz NAZAZOJPBLRPPH-OAHLLOKOSA-N 2 2 311.351 3.947 20 0 DHADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CCSC1 ZINC000554892845 1034397337 /nfs/dbraw/zinc/39/73/37/1034397337.db2.gz TVOKLEDUTJJJFG-IAGOWNOFSA-N 2 2 324.921 3.744 20 0 DHADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000480766282 1034436978 /nfs/dbraw/zinc/43/69/78/1034436978.db2.gz DSPITVMKGGOKEE-LBPRGKRZSA-N 2 2 319.276 3.612 20 0 DHADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000480766282 1034436984 /nfs/dbraw/zinc/43/69/84/1034436984.db2.gz DSPITVMKGGOKEE-LBPRGKRZSA-N 2 2 319.276 3.612 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924749834 1034450225 /nfs/dbraw/zinc/45/02/25/1034450225.db2.gz BIEABJMXLXWAEQ-HOTGVXAUSA-N 2 2 313.445 3.724 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924749834 1034450233 /nfs/dbraw/zinc/45/02/33/1034450233.db2.gz BIEABJMXLXWAEQ-HOTGVXAUSA-N 2 2 313.445 3.724 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626136109 1034453192 /nfs/dbraw/zinc/45/31/92/1034453192.db2.gz PEUQLRUPNUTJNK-KRWDZBQOSA-N 2 2 321.415 3.780 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626136109 1034453199 /nfs/dbraw/zinc/45/31/99/1034453199.db2.gz PEUQLRUPNUTJNK-KRWDZBQOSA-N 2 2 321.415 3.780 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCS2 ZINC000186909009 1034674073 /nfs/dbraw/zinc/67/40/73/1034674073.db2.gz KOOAAYNGOFJUDP-INIZCTEOSA-N 2 2 301.459 3.717 20 0 DHADLP Fc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000555415078 1034686644 /nfs/dbraw/zinc/68/66/44/1034686644.db2.gz BJCLHADAJTZAPO-DYVFJYSZSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000555415078 1034686653 /nfs/dbraw/zinc/68/66/53/1034686653.db2.gz BJCLHADAJTZAPO-DYVFJYSZSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1Cl ZINC000555415078 1034686662 /nfs/dbraw/zinc/68/66/62/1034686662.db2.gz BJCLHADAJTZAPO-DYVFJYSZSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000555415078 1034686672 /nfs/dbraw/zinc/68/66/72/1034686672.db2.gz BJCLHADAJTZAPO-DYVFJYSZSA-N 2 2 322.855 3.928 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCc2cc3ccccc3s2)C[N@@H+]1C1CC1 ZINC000555614679 1034836067 /nfs/dbraw/zinc/83/60/67/1034836067.db2.gz NZFZDOIJPNSTOR-HIFRSBDPSA-N 2 2 300.471 3.659 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCc2cc3ccccc3s2)C[N@H+]1C1CC1 ZINC000555614679 1034836077 /nfs/dbraw/zinc/83/60/77/1034836077.db2.gz NZFZDOIJPNSTOR-HIFRSBDPSA-N 2 2 300.471 3.659 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802080 1034910826 /nfs/dbraw/zinc/91/08/26/1034910826.db2.gz KWFOAPJWUAERGL-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802080 1034910833 /nfs/dbraw/zinc/91/08/33/1034910833.db2.gz KWFOAPJWUAERGL-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802080 1034910837 /nfs/dbraw/zinc/91/08/37/1034910837.db2.gz KWFOAPJWUAERGL-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802080 1034910850 /nfs/dbraw/zinc/91/08/50/1034910850.db2.gz KWFOAPJWUAERGL-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP c1cn2cccc(NC3=CC[N@H+](Cc4ccccc4)CC3)c2[nH+]1 ZINC001175505240 1035014510 /nfs/dbraw/zinc/01/45/10/1035014510.db2.gz OLRJBAMDGHLBFX-UHFFFAOYSA-N 2 2 304.397 3.536 20 0 DHADLP c1cn2cccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)c2[nH+]1 ZINC001175505240 1035014521 /nfs/dbraw/zinc/01/45/21/1035014521.db2.gz OLRJBAMDGHLBFX-UHFFFAOYSA-N 2 2 304.397 3.536 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[NH+]1CCCCC1 ZINC000481912246 1035032258 /nfs/dbraw/zinc/03/22/58/1035032258.db2.gz JTXBMGVYYHDCFE-AWEZNQCLSA-N 2 2 314.395 3.712 20 0 DHADLP CC[N@H+](CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000481917195 1035033662 /nfs/dbraw/zinc/03/36/62/1035033662.db2.gz AHGVLTCPDJCRGP-ZDUSSCGKSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@@H+](CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000481917195 1035033671 /nfs/dbraw/zinc/03/36/71/1035033671.db2.gz AHGVLTCPDJCRGP-ZDUSSCGKSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000481920623 1035034310 /nfs/dbraw/zinc/03/43/10/1035034310.db2.gz JYUSTWNLELDPOD-CHWSQXEVSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000481920623 1035034319 /nfs/dbraw/zinc/03/43/19/1035034319.db2.gz JYUSTWNLELDPOD-CHWSQXEVSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000481920628 1035034791 /nfs/dbraw/zinc/03/47/91/1035034791.db2.gz JYUSTWNLELDPOD-STQMWFEESA-N 2 2 314.395 3.709 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000481920628 1035034799 /nfs/dbraw/zinc/03/47/99/1035034799.db2.gz JYUSTWNLELDPOD-STQMWFEESA-N 2 2 314.395 3.709 20 0 DHADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1C ZINC000481992123 1035044114 /nfs/dbraw/zinc/04/41/14/1035044114.db2.gz POJNYTGUYYABQL-ZACQAIPSSA-N 2 2 301.478 3.712 20 0 DHADLP C[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)Cc1ccccc1 ZINC000482224110 1035070205 /nfs/dbraw/zinc/07/02/05/1035070205.db2.gz PBQXMSASWSMCLA-KRWDZBQOSA-N 2 2 305.425 3.841 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)C(C)(C)C ZINC000194317856 1035113075 /nfs/dbraw/zinc/11/30/75/1035113075.db2.gz VLHHDZVAGYAUOP-KRWDZBQOSA-N 2 2 314.477 3.533 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)c2ccccc12 ZINC000482552020 1035131513 /nfs/dbraw/zinc/13/15/13/1035131513.db2.gz DVPOJGDOXFFTHA-CABCVRRESA-N 2 2 312.457 3.982 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)c2ccccc12 ZINC000482552020 1035131517 /nfs/dbraw/zinc/13/15/17/1035131517.db2.gz DVPOJGDOXFFTHA-CABCVRRESA-N 2 2 312.457 3.982 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC000482781049 1035178792 /nfs/dbraw/zinc/17/87/92/1035178792.db2.gz RLIZFXJCEMSFAI-BBRMVZONSA-N 2 2 310.869 3.653 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC000482781049 1035178795 /nfs/dbraw/zinc/17/87/95/1035178795.db2.gz RLIZFXJCEMSFAI-BBRMVZONSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC000482781049 1035178798 /nfs/dbraw/zinc/17/87/98/1035178798.db2.gz RLIZFXJCEMSFAI-BBRMVZONSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC000482781049 1035178801 /nfs/dbraw/zinc/17/88/01/1035178801.db2.gz RLIZFXJCEMSFAI-BBRMVZONSA-N 2 2 310.869 3.653 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cncs1 ZINC000163231851 1035300975 /nfs/dbraw/zinc/30/09/75/1035300975.db2.gz PUJPLCKJYDXMCR-ZOBUZTSGSA-N 2 2 315.486 3.847 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cncs1 ZINC000163231851 1035300981 /nfs/dbraw/zinc/30/09/81/1035300981.db2.gz PUJPLCKJYDXMCR-ZOBUZTSGSA-N 2 2 315.486 3.847 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c(F)c1 ZINC000483856035 1035307370 /nfs/dbraw/zinc/30/73/70/1035307370.db2.gz FIVVGOZIIJLMCU-OAHLLOKOSA-N 2 2 310.457 3.994 20 0 DHADLP COC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000484142313 1035320364 /nfs/dbraw/zinc/32/03/64/1035320364.db2.gz ZJURRJMOEQQARS-LPHOPBHVSA-N 2 2 316.489 3.665 20 0 DHADLP COC[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000484142315 1035320828 /nfs/dbraw/zinc/32/08/28/1035320828.db2.gz ZJURRJMOEQQARS-QFBILLFUSA-N 2 2 316.489 3.665 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000067439254 1035357040 /nfs/dbraw/zinc/35/70/40/1035357040.db2.gz RRVCNWCLLNEMKX-UHFFFAOYSA-N 2 2 317.260 3.576 20 0 DHADLP C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177268355 1035362243 /nfs/dbraw/zinc/36/22/43/1035362243.db2.gz XAOVVVHNYQQMPT-YOEHRIQHSA-N 2 2 319.474 3.619 20 0 DHADLP COc1ccccc1/C=C/C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001177425233 1035369428 /nfs/dbraw/zinc/36/94/28/1035369428.db2.gz QVUYRCGHUJSSQW-PDFOZTTASA-N 2 2 313.445 3.609 20 0 DHADLP CNc1ccc(C)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001177566382 1035381173 /nfs/dbraw/zinc/38/11/73/1035381173.db2.gz VEOTVAFCFFDFHG-UHFFFAOYSA-N 2 2 306.413 3.512 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(C(C)C)s2)C1 ZINC001178249742 1035416043 /nfs/dbraw/zinc/41/60/43/1035416043.db2.gz SXWUIBRVIUCPFW-OAHLLOKOSA-N 2 2 309.523 3.724 20 0 DHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(C(C)C)s2)C1 ZINC001178249742 1035416047 /nfs/dbraw/zinc/41/60/47/1035416047.db2.gz SXWUIBRVIUCPFW-OAHLLOKOSA-N 2 2 309.523 3.724 20 0 DHADLP CCCCOc1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206342753 1035443837 /nfs/dbraw/zinc/44/38/37/1035443837.db2.gz BKFBGNXXJXAKKN-GOSISDBHSA-N 2 2 308.441 3.518 20 0 DHADLP CCCCOc1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206342753 1035443841 /nfs/dbraw/zinc/44/38/41/1035443841.db2.gz BKFBGNXXJXAKKN-GOSISDBHSA-N 2 2 308.441 3.518 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(F)c2ccccc12 ZINC001179142590 1035464502 /nfs/dbraw/zinc/46/45/02/1035464502.db2.gz JONWNRPHNWUCNR-OAHLLOKOSA-N 2 2 300.421 3.941 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(F)c2ccccc12 ZINC001179142590 1035464505 /nfs/dbraw/zinc/46/45/05/1035464505.db2.gz JONWNRPHNWUCNR-OAHLLOKOSA-N 2 2 300.421 3.941 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC001179173807 1035469099 /nfs/dbraw/zinc/46/90/99/1035469099.db2.gz ZTBWCPKEUAXXMU-XDXAGZTOSA-N 2 2 320.427 3.975 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c(F)c1 ZINC001179173807 1035469101 /nfs/dbraw/zinc/46/91/01/1035469101.db2.gz ZTBWCPKEUAXXMU-XDXAGZTOSA-N 2 2 320.427 3.975 20 0 DHADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)c(Cl)c3Cl)[C@@H]2C1 ZINC001179814946 1035507287 /nfs/dbraw/zinc/50/72/87/1035507287.db2.gz BYMPTILYEBATHN-LOWVWBTDSA-N 2 2 317.235 3.562 20 0 DHADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(F)c(Cl)c3Cl)[C@@H]2C1 ZINC001179814946 1035507294 /nfs/dbraw/zinc/50/72/94/1035507294.db2.gz BYMPTILYEBATHN-LOWVWBTDSA-N 2 2 317.235 3.562 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000668459790 1035525021 /nfs/dbraw/zinc/52/50/21/1035525021.db2.gz YUPSSDCYPGEVGH-BLDCVEFLSA-N 2 2 308.416 3.673 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000668459790 1035525026 /nfs/dbraw/zinc/52/50/26/1035525026.db2.gz YUPSSDCYPGEVGH-BLDCVEFLSA-N 2 2 308.416 3.673 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000668459444 1035527978 /nfs/dbraw/zinc/52/79/78/1035527978.db2.gz UUHQRPFUCJQPSG-VMWRSERWSA-N 2 2 316.489 3.881 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000668459444 1035527984 /nfs/dbraw/zinc/52/79/84/1035527984.db2.gz UUHQRPFUCJQPSG-VMWRSERWSA-N 2 2 316.489 3.881 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000222911327 1035587971 /nfs/dbraw/zinc/58/79/71/1035587971.db2.gz SFXRBYQGYOCIFB-MNOVXSKESA-N 2 2 317.246 3.579 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H](C)c1ccccc1C(F)(F)F ZINC001193252564 1035597600 /nfs/dbraw/zinc/59/76/00/1035597600.db2.gz YUNOTPXCCDZOQH-BFHYXJOUSA-N 2 2 314.395 3.881 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H](C)c1ccccc1C(F)(F)F ZINC001193252564 1035597611 /nfs/dbraw/zinc/59/76/11/1035597611.db2.gz YUNOTPXCCDZOQH-BFHYXJOUSA-N 2 2 314.395 3.881 20 0 DHADLP CC(C)Oc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000784255689 1035627506 /nfs/dbraw/zinc/62/75/06/1035627506.db2.gz YFWDJLSJPZGNLF-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP CC(C)Oc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000784255689 1035627517 /nfs/dbraw/zinc/62/75/17/1035627517.db2.gz YFWDJLSJPZGNLF-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2Cl)[C@H](C)C1 ZINC000192110272 1035762767 /nfs/dbraw/zinc/76/27/67/1035762767.db2.gz VKJHBKRCBZUQFG-DYVFJYSZSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2Cl)[C@H](C)C1 ZINC000192110272 1035762776 /nfs/dbraw/zinc/76/27/76/1035762776.db2.gz VKJHBKRCBZUQFG-DYVFJYSZSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2Cl)[C@H](C)C1 ZINC000192110272 1035762790 /nfs/dbraw/zinc/76/27/90/1035762790.db2.gz VKJHBKRCBZUQFG-DYVFJYSZSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2Cl)[C@H](C)C1 ZINC000192110272 1035762799 /nfs/dbraw/zinc/76/27/99/1035762799.db2.gz VKJHBKRCBZUQFG-DYVFJYSZSA-N 2 2 310.869 3.511 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000539742283 1035843232 /nfs/dbraw/zinc/84/32/32/1035843232.db2.gz YEWGKOABBBFFME-DNVCBOLYSA-N 2 2 324.472 3.639 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000539742283 1035843246 /nfs/dbraw/zinc/84/32/46/1035843246.db2.gz YEWGKOABBBFFME-DNVCBOLYSA-N 2 2 324.472 3.639 20 0 DHADLP Cc1ccc(Nc2c[nH+]c3ccc(Br)cn23)c(C)[nH+]1 ZINC001203366807 1035889228 /nfs/dbraw/zinc/88/92/28/1035889228.db2.gz DWLPBJSCTKQNDW-UHFFFAOYSA-N 2 2 317.190 3.852 20 0 DHADLP Fc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000485712293 1035901252 /nfs/dbraw/zinc/90/12/52/1035901252.db2.gz MRWBWAIBGRJPAQ-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000485712293 1035901263 /nfs/dbraw/zinc/90/12/63/1035901263.db2.gz MRWBWAIBGRJPAQ-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000485712293 1035901275 /nfs/dbraw/zinc/90/12/75/1035901275.db2.gz MRWBWAIBGRJPAQ-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000485712293 1035901295 /nfs/dbraw/zinc/90/12/95/1035901295.db2.gz MRWBWAIBGRJPAQ-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001181436278 1035924855 /nfs/dbraw/zinc/92/48/55/1035924855.db2.gz OLEQBHHLTXBZGB-GJYPPUQNSA-N 2 2 318.505 3.897 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001181436278 1035924862 /nfs/dbraw/zinc/92/48/62/1035924862.db2.gz OLEQBHHLTXBZGB-GJYPPUQNSA-N 2 2 318.505 3.897 20 0 DHADLP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001181610068 1035951547 /nfs/dbraw/zinc/95/15/47/1035951547.db2.gz DZUQIIZQJLRJSG-WFASDCNBSA-N 2 2 302.384 3.566 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C/C=C/c3ccncc3)C2)CC1 ZINC000495001022 1036175849 /nfs/dbraw/zinc/17/58/49/1036175849.db2.gz YYEVYDKPLSEFTB-WLMDGNKMSA-N 2 2 313.489 3.539 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C/C=C/c3ccncc3)C2)CC1 ZINC000495001022 1036175858 /nfs/dbraw/zinc/17/58/58/1036175858.db2.gz YYEVYDKPLSEFTB-WLMDGNKMSA-N 2 2 313.489 3.539 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCOc3ccc4ccccc4c3)C2)[nH]1 ZINC000495020755 1036188512 /nfs/dbraw/zinc/18/85/12/1036188512.db2.gz SSYBRPSSISZABQ-GOSISDBHSA-N 2 2 321.424 3.821 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCOc3ccc4ccccc4c3)C2)[nH]1 ZINC000495020755 1036188533 /nfs/dbraw/zinc/18/85/33/1036188533.db2.gz SSYBRPSSISZABQ-GOSISDBHSA-N 2 2 321.424 3.821 20 0 DHADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4)s3)[C@H]2C1 ZINC000495108980 1036260836 /nfs/dbraw/zinc/26/08/36/1036260836.db2.gz NXOFIKXHRCRLHN-YJBOKZPZSA-N 2 2 312.482 3.941 20 0 DHADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4)s3)[C@H]2C1 ZINC000495108980 1036260847 /nfs/dbraw/zinc/26/08/47/1036260847.db2.gz NXOFIKXHRCRLHN-YJBOKZPZSA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)s3)[C@H]2C1 ZINC000495108980 1036260860 /nfs/dbraw/zinc/26/08/60/1036260860.db2.gz NXOFIKXHRCRLHN-YJBOKZPZSA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)s3)[C@H]2C1 ZINC000495108980 1036260874 /nfs/dbraw/zinc/26/08/74/1036260874.db2.gz NXOFIKXHRCRLHN-YJBOKZPZSA-N 2 2 312.482 3.941 20 0 DHADLP Cc1ccc(-c2ccc(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@H]43)o2)cc1 ZINC000495110372 1036260994 /nfs/dbraw/zinc/26/09/94/1036260994.db2.gz SNPLSDFFVPOFAO-VQIMIIECSA-N 2 2 310.441 3.781 20 0 DHADLP Cc1ccc(-c2ccc(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@H]43)o2)cc1 ZINC000495110372 1036261010 /nfs/dbraw/zinc/26/10/10/1036261010.db2.gz SNPLSDFFVPOFAO-VQIMIIECSA-N 2 2 310.441 3.781 20 0 DHADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)o2)cc1 ZINC000495110372 1036261023 /nfs/dbraw/zinc/26/10/23/1036261023.db2.gz SNPLSDFFVPOFAO-VQIMIIECSA-N 2 2 310.441 3.781 20 0 DHADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@H]43)o2)cc1 ZINC000495110372 1036261036 /nfs/dbraw/zinc/26/10/36/1036261036.db2.gz SNPLSDFFVPOFAO-VQIMIIECSA-N 2 2 310.441 3.781 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)s1 ZINC000348256961 1036389848 /nfs/dbraw/zinc/38/98/48/1036389848.db2.gz YRRUDNXRWZBSJU-QGZVFWFLSA-N 2 2 315.486 3.932 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@@H]2c2ccccc2)s1 ZINC000348256961 1036389880 /nfs/dbraw/zinc/38/98/80/1036389880.db2.gz YRRUDNXRWZBSJU-QGZVFWFLSA-N 2 2 315.486 3.932 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC001183036583 1036504157 /nfs/dbraw/zinc/50/41/57/1036504157.db2.gz QZEKDJNEIJVWHE-NBMJBFSESA-N 2 2 309.457 3.872 20 0 DHADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001183046635 1036505818 /nfs/dbraw/zinc/50/58/18/1036505818.db2.gz YIFCXPBQIDVVAB-XDQVBPFNSA-N 2 2 312.910 3.967 20 0 DHADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001183046635 1036505826 /nfs/dbraw/zinc/50/58/26/1036505826.db2.gz YIFCXPBQIDVVAB-XDQVBPFNSA-N 2 2 312.910 3.967 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000159897383 1036533262 /nfs/dbraw/zinc/53/32/62/1036533262.db2.gz HZEISNLYTRBWOV-UHFFFAOYSA-N 2 2 320.786 3.933 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001196631455 1036582213 /nfs/dbraw/zinc/58/22/13/1036582213.db2.gz GBEJTHTXUHCAGO-BVGQSLNGSA-N 2 2 324.415 3.623 20 0 DHADLP C[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl)C[NH+](C)C ZINC000491559094 1036595710 /nfs/dbraw/zinc/59/57/10/1036595710.db2.gz IIRGYXWIODKDDI-SNVBAGLBSA-N 2 2 308.775 3.646 20 0 DHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C/C=C/c1ccncc1 ZINC000487571887 1036685992 /nfs/dbraw/zinc/68/59/92/1036685992.db2.gz KHTTZZHEZOFDOV-JXMROGBWSA-N 2 2 309.457 3.595 20 0 DHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C/C=C/c1ccncc1 ZINC000487571887 1036686005 /nfs/dbraw/zinc/68/60/05/1036686005.db2.gz KHTTZZHEZOFDOV-JXMROGBWSA-N 2 2 309.457 3.595 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)CC2 ZINC000487916975 1036778260 /nfs/dbraw/zinc/77/82/60/1036778260.db2.gz QMYIYYMJYVQUNZ-UXHICEINSA-N 2 2 317.436 3.772 20 0 DHADLP CSCC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477727 1036785384 /nfs/dbraw/zinc/78/53/84/1036785384.db2.gz WJPCXVLROVWLPI-RDJZCZTQSA-N 2 2 306.519 3.771 20 0 DHADLP CSCC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477727 1036785399 /nfs/dbraw/zinc/78/53/99/1036785399.db2.gz WJPCXVLROVWLPI-RDJZCZTQSA-N 2 2 306.519 3.771 20 0 DHADLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)cc1C ZINC001197582119 1036811382 /nfs/dbraw/zinc/81/13/82/1036811382.db2.gz IOBBZCINEKDOST-UHFFFAOYSA-N 2 2 316.489 3.844 20 0 DHADLP CCc1cc(NC[C@@H](C(C)C)[NH+]2CCCCCC2)nc(CC)[nH+]1 ZINC001184740297 1036944236 /nfs/dbraw/zinc/94/42/36/1036944236.db2.gz OUPLEVKXLICIBT-KRWDZBQOSA-N 2 2 318.509 3.914 20 0 DHADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CS1 ZINC000488440155 1037021198 /nfs/dbraw/zinc/02/11/98/1037021198.db2.gz PSVXLHBDKIJIGM-RHSMWYFYSA-N 2 2 319.449 3.631 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000237665277 1037022023 /nfs/dbraw/zinc/02/20/23/1037022023.db2.gz LEYGTPDONPDJFO-WMLDXEAASA-N 2 2 311.429 3.557 20 0 DHADLP Cn1c[nH+]cc1C1CC[NH+](CCSC2CCCCC2)CC1 ZINC001198769566 1037129234 /nfs/dbraw/zinc/12/92/34/1037129234.db2.gz LKTBPMBTKWKCMO-UHFFFAOYSA-N 2 2 307.507 3.665 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000322732605 1037238964 /nfs/dbraw/zinc/23/89/64/1037238964.db2.gz VWNNROGUMXLWHQ-MSOLQXFVSA-N 2 2 313.445 3.671 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001199419811 1037257195 /nfs/dbraw/zinc/25/71/95/1037257195.db2.gz CMOKEEGPRCYNCD-UHFFFAOYSA-N 2 2 322.880 3.627 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3ccsc3)n2)C[C@@H]1C[NH3+] ZINC000397326352 1037280768 /nfs/dbraw/zinc/28/07/68/1037280768.db2.gz OXGUJSDKLQSBHJ-BZPMIXESSA-N 2 2 321.515 3.677 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@@H]1C[NH3+] ZINC000397326352 1037280778 /nfs/dbraw/zinc/28/07/78/1037280778.db2.gz OXGUJSDKLQSBHJ-BZPMIXESSA-N 2 2 321.515 3.677 20 0 DHADLP COc1cc[nH+]c(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001201470152 1037698229 /nfs/dbraw/zinc/69/82/29/1037698229.db2.gz LCZUSLWQSIRZAD-MSOLQXFVSA-N 2 2 321.424 3.823 20 0 DHADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001205930622 1037905690 /nfs/dbraw/zinc/90/56/90/1037905690.db2.gz BLKGHEBOXZVQET-OAHLLOKOSA-N 2 2 304.821 3.913 20 0 DHADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001205930622 1037905701 /nfs/dbraw/zinc/90/57/01/1037905701.db2.gz BLKGHEBOXZVQET-OAHLLOKOSA-N 2 2 304.821 3.913 20 0 DHADLP C[C@@H](C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000571567345 1038171362 /nfs/dbraw/zinc/17/13/62/1038171362.db2.gz GXAZRRYUURGFGC-KRWDZBQOSA-N 2 2 312.457 3.980 20 0 DHADLP C[C@@H](C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000571567345 1038171373 /nfs/dbraw/zinc/17/13/73/1038171373.db2.gz GXAZRRYUURGFGC-KRWDZBQOSA-N 2 2 312.457 3.980 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1CC(C)C ZINC001191497382 1038508619 /nfs/dbraw/zinc/50/86/19/1038508619.db2.gz UZRIAROQXBCFBO-UXHICEINSA-N 2 2 300.490 3.944 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1CC(C)C ZINC001191497382 1038508626 /nfs/dbraw/zinc/50/86/26/1038508626.db2.gz UZRIAROQXBCFBO-UXHICEINSA-N 2 2 300.490 3.944 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1CC(C)C ZINC001191497382 1038508634 /nfs/dbraw/zinc/50/86/34/1038508634.db2.gz UZRIAROQXBCFBO-UXHICEINSA-N 2 2 300.490 3.944 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1CC(C)C ZINC001191497382 1038508643 /nfs/dbraw/zinc/50/86/43/1038508643.db2.gz UZRIAROQXBCFBO-UXHICEINSA-N 2 2 300.490 3.944 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]C[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000760956269 1039151375 /nfs/dbraw/zinc/15/13/75/1039151375.db2.gz XJXHQPJNUJWSON-KRWDZBQOSA-N 2 2 303.409 3.692 20 0 DHADLP CCc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)s1 ZINC001231502583 1040281339 /nfs/dbraw/zinc/28/13/39/1040281339.db2.gz NYESZVQMLYIDTG-UHFFFAOYSA-N 2 2 310.482 3.709 20 0 DHADLP Cc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608070042 1040364298 /nfs/dbraw/zinc/36/42/98/1040364298.db2.gz FLWBZOGEVZOADZ-LJQANCHMSA-N 2 2 305.425 3.802 20 0 DHADLP Cc1ccccc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608070062 1040365545 /nfs/dbraw/zinc/36/55/45/1040365545.db2.gz FXIKIDCENOAYLZ-LJQANCHMSA-N 2 2 305.425 3.802 20 0 DHADLP CC(C)c1cc(N2CCC[C@H](C[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000761214281 1040668136 /nfs/dbraw/zinc/66/81/36/1040668136.db2.gz WVPFDIKANHTPKM-OAHLLOKOSA-N 2 2 304.482 3.501 20 0 DHADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(O)c1 ZINC000669615332 1040782835 /nfs/dbraw/zinc/78/28/35/1040782835.db2.gz LJUCTOMDLCFYSO-KXBFYZLASA-N 2 2 321.424 3.760 20 0 DHADLP C[N@@H+](Cc1cnc(C2CCCCC2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000534342407 1040811346 /nfs/dbraw/zinc/81/13/46/1040811346.db2.gz ZAOCNPMAHUGZGI-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP C[N@H+](Cc1cnc(C2CCCCC2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000534342407 1040811356 /nfs/dbraw/zinc/81/13/56/1040811356.db2.gz ZAOCNPMAHUGZGI-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP C[NH+](Cc1cnc(C2CCCCC2)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000534342407 1040811368 /nfs/dbraw/zinc/81/13/68/1040811368.db2.gz ZAOCNPMAHUGZGI-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP C[NH+](Cc1cnc(C2CCCCC2)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000534342407 1040811379 /nfs/dbraw/zinc/81/13/79/1040811379.db2.gz ZAOCNPMAHUGZGI-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)o1 ZINC000090667220 185308725 /nfs/dbraw/zinc/30/87/25/185308725.db2.gz MNWBFZHFONMWAP-HOTGVXAUSA-N 2 2 313.445 3.859 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Br)s2)c2ccccc21 ZINC000132027242 334938556 /nfs/dbraw/zinc/93/85/56/334938556.db2.gz TYINBOUMSHXFDK-QWHCGFSZSA-N 2 2 323.259 3.745 20 0 DHADLP C[C@H](c1cccnc1)[N@H+](C)CCC[NH+](C)[C@@H](C)c1cccnc1 ZINC000093234508 193220028 /nfs/dbraw/zinc/22/00/28/193220028.db2.gz RVTWKRIPWPUPGN-CALCHBBNSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H](c1cccnc1)[N@@H+](C)CCC[NH+](C)[C@@H](C)c1cccnc1 ZINC000093234508 193220030 /nfs/dbraw/zinc/22/00/30/193220030.db2.gz RVTWKRIPWPUPGN-CALCHBBNSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H](c1cccnc1)[NH+](C)CCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093234508 193220032 /nfs/dbraw/zinc/22/00/32/193220032.db2.gz RVTWKRIPWPUPGN-CALCHBBNSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H](c1cccnc1)[NH+](C)CCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093234508 193220034 /nfs/dbraw/zinc/22/00/34/193220034.db2.gz RVTWKRIPWPUPGN-CALCHBBNSA-N 2 2 312.461 3.553 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccccn2)CC1 ZINC000093300958 193226402 /nfs/dbraw/zinc/22/64/02/193226402.db2.gz CBBHCHCDMMWJAD-UHFFFAOYSA-N 2 2 320.440 3.831 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3s2)CC1 ZINC000020009035 182176685 /nfs/dbraw/zinc/17/66/85/182176685.db2.gz POFWLDIIDQTXOU-ZDUSSCGKSA-N 2 2 303.475 3.821 20 0 DHADLP C[NH2+]C1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000261662987 335046741 /nfs/dbraw/zinc/04/67/41/335046741.db2.gz ZHQVTZNFAJHLJX-UHFFFAOYSA-N 2 2 319.301 3.769 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](C)COC)CC1 ZINC000563843038 335047391 /nfs/dbraw/zinc/04/73/91/335047391.db2.gz QZFAJSKVWXFNAV-OAHLLOKOSA-N 2 2 315.461 3.518 20 0 DHADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119659276 195011183 /nfs/dbraw/zinc/01/11/83/195011183.db2.gz LOKFMVOQBSLWCR-GFCCVEGCSA-N 2 2 307.507 3.852 20 0 DHADLP Cc1cccn2cc(COc3ccc(C[NH2+]C(C)C)cc3)[nH+]c12 ZINC000063312817 335050088 /nfs/dbraw/zinc/05/00/88/335050088.db2.gz BCRVRFLBKXFHIN-UHFFFAOYSA-N 2 2 309.413 3.720 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2F)CC1)c1ccco1 ZINC000165743015 335056312 /nfs/dbraw/zinc/05/63/12/335056312.db2.gz PGCIHJPTHSYJTR-CQSZACIVSA-N 2 2 302.393 3.734 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000272299214 130017320 /nfs/dbraw/zinc/01/73/20/130017320.db2.gz QHMOPHQJOIWRKW-DLBZAZTESA-N 2 2 324.472 3.721 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000272299214 130017323 /nfs/dbraw/zinc/01/73/23/130017323.db2.gz QHMOPHQJOIWRKW-DLBZAZTESA-N 2 2 324.472 3.721 20 0 DHADLP Cc1cccc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)c1 ZINC000273081323 130088264 /nfs/dbraw/zinc/08/82/64/130088264.db2.gz LHKSBCTUTTUPSB-LJQANCHMSA-N 2 2 318.424 3.565 20 0 DHADLP Cc1cccc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)c1 ZINC000273081323 130088267 /nfs/dbraw/zinc/08/82/67/130088267.db2.gz LHKSBCTUTTUPSB-LJQANCHMSA-N 2 2 318.424 3.565 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000273197268 130096651 /nfs/dbraw/zinc/09/66/51/130096651.db2.gz IEHDQZDVAMXRME-IKGGRYGDSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000273336855 130107531 /nfs/dbraw/zinc/10/75/31/130107531.db2.gz VIPIFJMBVJWEIR-HOCLYGCPSA-N 2 2 315.486 3.945 20 0 DHADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000273336855 130107532 /nfs/dbraw/zinc/10/75/32/130107532.db2.gz VIPIFJMBVJWEIR-HOCLYGCPSA-N 2 2 315.486 3.945 20 0 DHADLP COc1ccc(C[C@@H](C)C[NH2+]CCc2cc[nH+]cc2C)cc1F ZINC000273719917 130157359 /nfs/dbraw/zinc/15/73/59/130157359.db2.gz LPVZAGDPRSJGNC-CQSZACIVSA-N 2 2 316.420 3.549 20 0 DHADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(Cl)cn1 ZINC000274903709 130271749 /nfs/dbraw/zinc/27/17/49/130271749.db2.gz LSTYLVRHLNHUJV-LBPRGKRZSA-N 2 2 314.820 3.895 20 0 DHADLP C[C@@H]1[C@H]([NH2+]Cc2ccsc2)CCC[N@@H+]1Cc1ccccc1 ZINC000340180952 131007965 /nfs/dbraw/zinc/00/79/65/131007965.db2.gz NKMYTXJFCLJDBR-CRAIPNDOSA-N 2 2 300.471 3.891 20 0 DHADLP C[C@@H]1[C@H]([NH2+]Cc2ccsc2)CCC[N@H+]1Cc1ccccc1 ZINC000340180952 131007966 /nfs/dbraw/zinc/00/79/66/131007966.db2.gz NKMYTXJFCLJDBR-CRAIPNDOSA-N 2 2 300.471 3.891 20 0 DHADLP C[N@H+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000366628976 131043133 /nfs/dbraw/zinc/04/31/33/131043133.db2.gz PWHNEXGIUWTBSU-WCRBZPEASA-N 2 2 321.468 3.709 20 0 DHADLP C[N@@H+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000366628976 131043135 /nfs/dbraw/zinc/04/31/35/131043135.db2.gz PWHNEXGIUWTBSU-WCRBZPEASA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000366628976 131043136 /nfs/dbraw/zinc/04/31/36/131043136.db2.gz PWHNEXGIUWTBSU-WCRBZPEASA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000366628976 131043138 /nfs/dbraw/zinc/04/31/38/131043138.db2.gz PWHNEXGIUWTBSU-WCRBZPEASA-N 2 2 321.468 3.709 20 0 DHADLP Cc1ccc2[nH+]c(CNc3cc(C[NH+](C)C)ccc3C)cn2c1 ZINC000284136128 131052419 /nfs/dbraw/zinc/05/24/19/131052419.db2.gz YMKTWKCLKUGIOZ-UHFFFAOYSA-N 2 2 308.429 3.625 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)sc1Br ZINC000285572546 131182152 /nfs/dbraw/zinc/18/21/52/131182152.db2.gz WHIGIWKRAVFOPI-JTQLQIEISA-N 2 2 317.296 3.564 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000285585654 131183324 /nfs/dbraw/zinc/18/33/24/131183324.db2.gz IXKGPNQWMYDEJA-OAHLLOKOSA-N 2 2 308.429 3.789 20 0 DHADLP CCCC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000289175437 131363479 /nfs/dbraw/zinc/36/34/79/131363479.db2.gz HXCWMWAIQPTYTE-SJORKVTESA-N 2 2 303.494 3.850 20 0 DHADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289226241 131367131 /nfs/dbraw/zinc/36/71/31/131367131.db2.gz JSPILULXSYTWJX-OAHLLOKOSA-N 2 2 314.429 3.691 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000289313373 131373395 /nfs/dbraw/zinc/37/33/95/131373395.db2.gz SGSUMDOQFBHPRM-GOSISDBHSA-N 2 2 316.445 3.919 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000289507125 131391530 /nfs/dbraw/zinc/39/15/30/131391530.db2.gz CURGJGLEAZWAFU-UHFFFAOYSA-N 2 2 323.484 3.829 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000289518841 131392431 /nfs/dbraw/zinc/39/24/31/131392431.db2.gz FUDSYZDHIISLKV-FQEVSTJZSA-N 2 2 305.425 3.953 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000289518841 131392433 /nfs/dbraw/zinc/39/24/33/131392433.db2.gz FUDSYZDHIISLKV-FQEVSTJZSA-N 2 2 305.425 3.953 20 0 DHADLP Cn1c[nH+]cc1CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000289586743 131399273 /nfs/dbraw/zinc/39/92/73/131399273.db2.gz HSAQMNMJNLTGSZ-UHFFFAOYSA-N 2 2 305.425 3.665 20 0 DHADLP CSc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000340582674 132036886 /nfs/dbraw/zinc/03/68/86/132036886.db2.gz SZDFMLNLOAEVGV-CYBMUJFWSA-N 2 2 306.456 3.518 20 0 DHADLP CSc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000340582674 132036887 /nfs/dbraw/zinc/03/68/87/132036887.db2.gz SZDFMLNLOAEVGV-CYBMUJFWSA-N 2 2 306.456 3.518 20 0 DHADLP Fc1cc(-c2ccco2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298178095 132049793 /nfs/dbraw/zinc/04/97/93/132049793.db2.gz VDCCFVDTBFVTJT-UHFFFAOYSA-N 2 2 314.404 3.802 20 0 DHADLP Cc1c2cc(F)ccc2oc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298235977 132052359 /nfs/dbraw/zinc/05/23/59/132052359.db2.gz BTCBBTOAURDTRW-UHFFFAOYSA-N 2 2 302.393 3.597 20 0 DHADLP Cc1csc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCC2)n1 ZINC000299579695 132112013 /nfs/dbraw/zinc/11/20/13/132112013.db2.gz IJLLIRFGPCXJAV-UHFFFAOYSA-N 2 2 324.453 3.806 20 0 DHADLP Fc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000120956097 132146817 /nfs/dbraw/zinc/14/68/17/132146817.db2.gz XROJXOZKXGZLGC-INIZCTEOSA-N 2 2 302.437 3.736 20 0 DHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000353646730 132159831 /nfs/dbraw/zinc/15/98/31/132159831.db2.gz JBBWLCFXZZVUBK-QGZVFWFLSA-N 2 2 320.525 3.561 20 0 DHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000353646730 132159833 /nfs/dbraw/zinc/15/98/33/132159833.db2.gz JBBWLCFXZZVUBK-QGZVFWFLSA-N 2 2 320.525 3.561 20 0 DHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000353646730 132159834 /nfs/dbraw/zinc/15/98/34/132159834.db2.gz JBBWLCFXZZVUBK-QGZVFWFLSA-N 2 2 320.525 3.561 20 0 DHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000353646730 132159836 /nfs/dbraw/zinc/15/98/36/132159836.db2.gz JBBWLCFXZZVUBK-QGZVFWFLSA-N 2 2 320.525 3.561 20 0 DHADLP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCCn2cc[nH+]c2)o1 ZINC000343317124 335070278 /nfs/dbraw/zinc/07/02/78/335070278.db2.gz CALGGYXWGBEFAI-RDJZCZTQSA-N 2 2 301.434 3.902 20 0 DHADLP C[C@@H](C[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000525875081 335088881 /nfs/dbraw/zinc/08/88/81/335088881.db2.gz RJOSVQDUCAHHGQ-JXFKEZNVSA-N 2 2 314.448 3.692 20 0 DHADLP CCc1cc(NC[C@@H](c2ccsc2)[NH+](CC)CC)nc[nH+]1 ZINC000603381019 435335498 /nfs/dbraw/zinc/33/54/98/435335498.db2.gz FOPLTZUIVUQBNQ-HNNXBMFYSA-N 2 2 304.463 3.596 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]CCn1c(C)[nH+]c3ccccc31)CC2 ZINC000173228772 332825742 /nfs/dbraw/zinc/82/57/42/332825742.db2.gz GYLXNQZMXSQAPK-SFHVURJKSA-N 2 2 321.424 3.630 20 0 DHADLP Cc1oc(-c2cccs2)nc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000128490494 332012210 /nfs/dbraw/zinc/01/22/10/332012210.db2.gz KMPVHXJUYKVEPS-ZDUSSCGKSA-N 2 2 307.463 3.517 20 0 DHADLP Cc1oc(-c2cccs2)nc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000128490494 332012211 /nfs/dbraw/zinc/01/22/11/332012211.db2.gz KMPVHXJUYKVEPS-ZDUSSCGKSA-N 2 2 307.463 3.517 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000211902891 332091935 /nfs/dbraw/zinc/09/19/35/332091935.db2.gz BHQSDPMUKLIIFG-QWRGUYRKSA-N 2 2 317.246 3.579 20 0 DHADLP c1ccc2c(NCc3ccc(N4CCCCC4)[nH+]c3)cc[nH+]c2c1 ZINC000521088071 332108616 /nfs/dbraw/zinc/10/86/16/332108616.db2.gz DCVSZLAQYXFZJL-UHFFFAOYSA-N 2 2 318.424 3.654 20 0 DHADLP Cc1ccc(-c2ncc(C[NH+]3CCC([NH+](C)C)CC3)s2)cc1 ZINC000091672253 332110074 /nfs/dbraw/zinc/11/00/74/332110074.db2.gz SATFMYOBFBOCDU-UHFFFAOYSA-N 2 2 315.486 3.645 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427135806 332168308 /nfs/dbraw/zinc/16/83/08/332168308.db2.gz LBBODCZSBOOHBN-PXNSSMCTSA-N 2 2 324.468 3.811 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427135806 332168309 /nfs/dbraw/zinc/16/83/09/332168309.db2.gz LBBODCZSBOOHBN-PXNSSMCTSA-N 2 2 324.468 3.811 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427111661 332168724 /nfs/dbraw/zinc/16/87/24/332168724.db2.gz UGYDTERUNIVFTQ-UYAOXDASSA-N 2 2 322.452 3.546 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427111661 332168726 /nfs/dbraw/zinc/16/87/26/332168726.db2.gz UGYDTERUNIVFTQ-UYAOXDASSA-N 2 2 322.452 3.546 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@@H](C)C1 ZINC000448026884 332195725 /nfs/dbraw/zinc/19/57/25/332195725.db2.gz KHKDMXCPKBGTFR-KSSFIOAISA-N 2 2 316.420 3.906 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@@H](C)C1 ZINC000448026884 332195727 /nfs/dbraw/zinc/19/57/27/332195727.db2.gz KHKDMXCPKBGTFR-KSSFIOAISA-N 2 2 316.420 3.906 20 0 DHADLP Clc1cccnc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000528442948 332212631 /nfs/dbraw/zinc/21/26/31/332212631.db2.gz NMICQAIEGBTZFN-UHFFFAOYSA-N 2 2 318.852 3.624 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)CC2 ZINC000427863096 332549494 /nfs/dbraw/zinc/54/94/94/332549494.db2.gz APEGLWBRLOIFGH-SFHVURJKSA-N 2 2 303.409 3.577 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427871075 332551636 /nfs/dbraw/zinc/55/16/36/332551636.db2.gz HMLIOHFQJUDRTN-SMDDNHRTSA-N 2 2 309.335 3.568 20 0 DHADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000427874798 332551947 /nfs/dbraw/zinc/55/19/47/332551947.db2.gz IKOZFKAVXOIXKN-RDJZCZTQSA-N 2 2 303.837 3.838 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1c3ccccc3-c3ccccc31)CC2 ZINC000427875763 332552252 /nfs/dbraw/zinc/55/22/52/332552252.db2.gz UHNKBXAWJDVRPV-AWEZNQCLSA-N 2 2 301.393 3.558 20 0 DHADLP Fc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427891654 332556768 /nfs/dbraw/zinc/55/67/68/332556768.db2.gz LUKFIFNYUTXXNK-AZUAARDMSA-N 2 2 321.399 3.716 20 0 DHADLP C[C@@H]([NH2+]CC1Cc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000562210937 332559278 /nfs/dbraw/zinc/55/92/78/332559278.db2.gz BDFBLPMFDWUSTC-IIBYNOLFSA-N 2 2 308.469 3.682 20 0 DHADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000188141550 333037834 /nfs/dbraw/zinc/03/78/34/333037834.db2.gz CTVQXDFGPLZFFD-DOMZBBRYSA-N 2 2 312.379 3.635 20 0 DHADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000188141550 333037835 /nfs/dbraw/zinc/03/78/35/333037835.db2.gz CTVQXDFGPLZFFD-DOMZBBRYSA-N 2 2 312.379 3.635 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCCOCc1ccccc1 ZINC000580258824 333042766 /nfs/dbraw/zinc/04/27/66/333042766.db2.gz LAXICLXOOKUCEP-UHFFFAOYSA-N 2 2 312.457 3.861 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCCOCc1ccccc1 ZINC000580258824 333042767 /nfs/dbraw/zinc/04/27/67/333042767.db2.gz LAXICLXOOKUCEP-UHFFFAOYSA-N 2 2 312.457 3.861 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000462842784 333124547 /nfs/dbraw/zinc/12/45/47/333124547.db2.gz RQMGEJCQDIUIHP-RLFYNMQTSA-N 2 2 304.478 3.997 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000462842784 333124548 /nfs/dbraw/zinc/12/45/48/333124548.db2.gz RQMGEJCQDIUIHP-RLFYNMQTSA-N 2 2 304.478 3.997 20 0 DHADLP C[N@@H+](Cc1ccccc1N1CCCC1)Cc1cccc2[nH+]ccn21 ZINC000179615514 333153361 /nfs/dbraw/zinc/15/33/61/333153361.db2.gz ANGNCVWKEZAXKN-UHFFFAOYSA-N 2 2 320.440 3.567 20 0 DHADLP C[N@H+](Cc1ccccc1N1CCCC1)Cc1cccc2[nH+]ccn21 ZINC000179615514 333153362 /nfs/dbraw/zinc/15/33/62/333153362.db2.gz ANGNCVWKEZAXKN-UHFFFAOYSA-N 2 2 320.440 3.567 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000187923614 333154038 /nfs/dbraw/zinc/15/40/38/333154038.db2.gz BAGRGPCBKUBJAF-INIZCTEOSA-N 2 2 324.896 3.901 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000187923614 333154040 /nfs/dbraw/zinc/15/40/40/333154040.db2.gz BAGRGPCBKUBJAF-INIZCTEOSA-N 2 2 324.896 3.901 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000187923614 333154041 /nfs/dbraw/zinc/15/40/41/333154041.db2.gz BAGRGPCBKUBJAF-INIZCTEOSA-N 2 2 324.896 3.901 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000187923614 333154043 /nfs/dbraw/zinc/15/40/43/333154043.db2.gz BAGRGPCBKUBJAF-INIZCTEOSA-N 2 2 324.896 3.901 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309707109 333190963 /nfs/dbraw/zinc/19/09/63/333190963.db2.gz IBVZQYIVXZAVDZ-SFHVURJKSA-N 2 2 300.471 3.811 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000309707109 333190965 /nfs/dbraw/zinc/19/09/65/333190965.db2.gz IBVZQYIVXZAVDZ-SFHVURJKSA-N 2 2 300.471 3.811 20 0 DHADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000563051983 333211633 /nfs/dbraw/zinc/21/16/33/333211633.db2.gz HATZGGDBDCMDOI-PWRODBHTSA-N 2 2 324.468 3.873 20 0 DHADLP Fc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000120497177 333285932 /nfs/dbraw/zinc/28/59/32/333285932.db2.gz BJOCZLYXUINGOR-LJQANCHMSA-N 2 2 309.388 3.792 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000390576497 333303202 /nfs/dbraw/zinc/30/32/02/333303202.db2.gz DUIXRXAINYVAGT-IAGOWNOFSA-N 2 2 312.457 3.866 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390576497 333303203 /nfs/dbraw/zinc/30/32/03/333303203.db2.gz DUIXRXAINYVAGT-IAGOWNOFSA-N 2 2 312.457 3.866 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000502722350 333305794 /nfs/dbraw/zinc/30/57/94/333305794.db2.gz NOGJYGPQUAQFTK-YTQUADARSA-N 2 2 318.505 3.911 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(F)cc(F)c1 ZINC000120810077 333311603 /nfs/dbraw/zinc/31/16/03/333311603.db2.gz JXLSVTNWNKRRKX-CYBMUJFWSA-N 2 2 317.383 3.679 20 0 DHADLP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390672770 333313131 /nfs/dbraw/zinc/31/31/31/333313131.db2.gz SMNSEBZCLVPDDA-UYAOXDASSA-N 2 2 318.505 3.692 20 0 DHADLP CC(C)CC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390672770 333313132 /nfs/dbraw/zinc/31/31/32/333313132.db2.gz SMNSEBZCLVPDDA-UYAOXDASSA-N 2 2 318.505 3.692 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CC[N@@H+]1C ZINC000531213521 333335011 /nfs/dbraw/zinc/33/50/11/333335011.db2.gz YLHMWPNYNLFNLM-DZGCQCFKSA-N 2 2 307.507 3.763 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CC[N@H+]1C ZINC000531213521 333335013 /nfs/dbraw/zinc/33/50/13/333335013.db2.gz YLHMWPNYNLFNLM-DZGCQCFKSA-N 2 2 307.507 3.763 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000040226335 333341549 /nfs/dbraw/zinc/34/15/49/333341549.db2.gz MCGITXNUTXPNFU-GDBMZVCRSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000040226335 333341551 /nfs/dbraw/zinc/34/15/51/333341551.db2.gz MCGITXNUTXPNFU-GDBMZVCRSA-N 2 2 323.278 3.510 20 0 DHADLP CC(C)(C)Oc1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)n1 ZINC000537941389 333351754 /nfs/dbraw/zinc/35/17/54/333351754.db2.gz QHTNGCODDPEVCA-UHFFFAOYSA-N 2 2 319.493 3.611 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccsc2Br)c2ccccc21 ZINC000388566406 333357841 /nfs/dbraw/zinc/35/78/41/333357841.db2.gz UUYMMGFRVBRWSI-STQMWFEESA-N 2 2 323.259 3.745 20 0 DHADLP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000583467819 333360077 /nfs/dbraw/zinc/36/00/77/333360077.db2.gz VOASWDKIMHCOHC-GGPKGHCWSA-N 2 2 300.490 3.814 20 0 DHADLP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000583467819 333360078 /nfs/dbraw/zinc/36/00/78/333360078.db2.gz VOASWDKIMHCOHC-GGPKGHCWSA-N 2 2 300.490 3.814 20 0 DHADLP CSCCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000185165696 333369212 /nfs/dbraw/zinc/36/92/12/333369212.db2.gz OKHJAUZDDYKVJD-AEFFLSMTSA-N 2 2 306.519 3.772 20 0 DHADLP CSCCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000185165696 333369214 /nfs/dbraw/zinc/36/92/14/333369214.db2.gz OKHJAUZDDYKVJD-AEFFLSMTSA-N 2 2 306.519 3.772 20 0 DHADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000488454893 333379443 /nfs/dbraw/zinc/37/94/43/333379443.db2.gz JNEMLYWVINWYPM-GVDBMIGSSA-N 2 2 306.519 3.799 20 0 DHADLP Cc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1ccc(C)c(C)c1 ZINC000434662947 333701456 /nfs/dbraw/zinc/70/14/56/333701456.db2.gz OBBVTINDFRNRHO-UHFFFAOYSA-N 2 2 315.486 3.658 20 0 DHADLP Clc1cccc([C@H]2CC[C@@H]([NH2+]CCCn3cc[nH+]c3)C2)c1 ZINC000414051321 333887918 /nfs/dbraw/zinc/88/79/18/333887918.db2.gz JFZWORBBNSWJAF-DOTOQJQBSA-N 2 2 303.837 3.853 20 0 DHADLP CC(C)C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000414126363 333898899 /nfs/dbraw/zinc/89/88/99/333898899.db2.gz OJKSXESARUTHBA-QGZVFWFLSA-N 2 2 305.853 3.993 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000414126700 333899256 /nfs/dbraw/zinc/89/92/56/333899256.db2.gz OTIZAFDDZTVUMB-WBVHZDCISA-N 2 2 317.864 3.932 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(C)c1 ZINC000414117914 333906148 /nfs/dbraw/zinc/90/61/48/333906148.db2.gz SZZFLOYHWLXSIV-CVEARBPZSA-N 2 2 313.445 3.737 20 0 DHADLP Fc1cncc([C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C2CC2)c1 ZINC000343456687 335170107 /nfs/dbraw/zinc/17/01/07/335170107.db2.gz NCSKPIIOCGAVOP-LJQANCHMSA-N 2 2 322.387 3.647 20 0 DHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000414558936 334017518 /nfs/dbraw/zinc/01/75/18/334017518.db2.gz TVTXFNWHRLGVSC-ICSRJNTNSA-N 2 2 310.441 3.725 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000343600238 335176231 /nfs/dbraw/zinc/17/62/31/335176231.db2.gz FSYVXSJMGNLQNB-AEFFLSMTSA-N 2 2 314.816 3.876 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000343600238 335176233 /nfs/dbraw/zinc/17/62/33/335176233.db2.gz FSYVXSJMGNLQNB-AEFFLSMTSA-N 2 2 314.816 3.876 20 0 DHADLP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CCC[NH2+]CC1 ZINC000414651666 334055106 /nfs/dbraw/zinc/05/51/06/334055106.db2.gz FSBYMXYTVOJKEI-YWEYNIOJSA-N 2 2 322.452 3.574 20 0 DHADLP C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CCC[NH2+]CC1 ZINC000414651666 334055108 /nfs/dbraw/zinc/05/51/08/334055108.db2.gz FSBYMXYTVOJKEI-YWEYNIOJSA-N 2 2 322.452 3.574 20 0 DHADLP C[C@@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000414658078 334059779 /nfs/dbraw/zinc/05/97/79/334059779.db2.gz LBYCVVYWTPNFML-MAZHCROVSA-N 2 2 312.379 3.635 20 0 DHADLP C[C@@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000414658078 334059780 /nfs/dbraw/zinc/05/97/80/334059780.db2.gz LBYCVVYWTPNFML-MAZHCROVSA-N 2 2 312.379 3.635 20 0 DHADLP c1cc(-c2ccccc2)oc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000414666851 334062340 /nfs/dbraw/zinc/06/23/40/334062340.db2.gz WXDBZSPMIXEPOZ-UHFFFAOYSA-N 2 2 310.441 3.911 20 0 DHADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000414679124 334067487 /nfs/dbraw/zinc/06/74/87/334067487.db2.gz LDGZZGMFNKPKEU-HNNXBMFYSA-N 2 2 317.502 3.849 20 0 DHADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000414679125 334067526 /nfs/dbraw/zinc/06/75/26/334067526.db2.gz LDGZZGMFNKPKEU-OAHLLOKOSA-N 2 2 317.502 3.849 20 0 DHADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000414740047 334079357 /nfs/dbraw/zinc/07/93/57/334079357.db2.gz CXNYDYMBXMCJHO-UKRRQHHQSA-N 2 2 319.424 3.520 20 0 DHADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000414740047 334079359 /nfs/dbraw/zinc/07/93/59/334079359.db2.gz CXNYDYMBXMCJHO-UKRRQHHQSA-N 2 2 319.424 3.520 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](CNc1c(C)c(C)[nH+]c3ccccc31)CCC2 ZINC000343506906 335172538 /nfs/dbraw/zinc/17/25/38/335172538.db2.gz GQIKIRCUHOQODJ-MRXNPFEDSA-N 2 2 320.440 3.768 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414820071 334107476 /nfs/dbraw/zinc/10/74/76/334107476.db2.gz ADUCJZZGCIUMRJ-GOSISDBHSA-N 2 2 310.441 3.512 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c(OC(F)F)cc1C ZINC000414826821 334108937 /nfs/dbraw/zinc/10/89/37/334108937.db2.gz GHARVMYTEWKIGW-MRXNPFEDSA-N 2 2 320.383 3.694 20 0 DHADLP Cc1cc(Br)ccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414825414 334109185 /nfs/dbraw/zinc/10/91/85/334109185.db2.gz CDNKHGWKBJWTTB-MRXNPFEDSA-N 2 2 319.246 3.547 20 0 DHADLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2ccccc2)n1)C1CCCCC1 ZINC000414834080 334111053 /nfs/dbraw/zinc/11/10/53/334111053.db2.gz GLXWEONLMHBCGN-QGZVFWFLSA-N 2 2 315.486 3.807 20 0 DHADLP COc1ccsc1C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414839340 334112237 /nfs/dbraw/zinc/11/22/37/334112237.db2.gz FXKUBMSCRSWOIM-OAHLLOKOSA-N 2 2 304.459 3.670 20 0 DHADLP [NH3+][C@@H](C[NH2+]Cc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000414841104 334112701 /nfs/dbraw/zinc/11/27/01/334112701.db2.gz XUWQMNLSPGDKOU-HNNXBMFYSA-N 2 2 312.310 3.634 20 0 DHADLP CCc1ncc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000414846520 334117136 /nfs/dbraw/zinc/11/71/36/334117136.db2.gz NIHQRZARTNYOSG-INIZCTEOSA-N 2 2 303.475 3.619 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000292663583 334190517 /nfs/dbraw/zinc/19/05/17/334190517.db2.gz ANIMRMJFSQCERZ-QGZVFWFLSA-N 2 2 303.494 3.677 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000292663583 334190519 /nfs/dbraw/zinc/19/05/19/334190519.db2.gz ANIMRMJFSQCERZ-QGZVFWFLSA-N 2 2 303.494 3.677 20 0 DHADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000415080399 334271809 /nfs/dbraw/zinc/27/18/09/334271809.db2.gz JEZOPMQEOHPZCD-KBPBESRZSA-N 2 2 319.474 3.804 20 0 DHADLP COc1ccccc1[C@H]([NH2+][C@H](C)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000415083479 334272306 /nfs/dbraw/zinc/27/23/06/334272306.db2.gz FOWOCWZYDXZGOX-PLMTUMEDSA-N 2 2 324.468 3.905 20 0 DHADLP Cc1ccsc1C[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414959620 334210846 /nfs/dbraw/zinc/21/08/46/334210846.db2.gz XLRAADNHMJQSKH-BBRMVZONSA-N 2 2 322.424 3.570 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCCc2c(O)cccc21)[N@H+](C)Cc1ccccc1 ZINC000340474683 334211651 /nfs/dbraw/zinc/21/16/51/334211651.db2.gz UEAPUAJCEPUZSW-OXQOHEQNSA-N 2 2 324.468 3.880 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCCc2c(O)cccc21)[N@@H+](C)Cc1ccccc1 ZINC000340474683 334211654 /nfs/dbraw/zinc/21/16/54/334211654.db2.gz UEAPUAJCEPUZSW-OXQOHEQNSA-N 2 2 324.468 3.880 20 0 DHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000415081793 334272891 /nfs/dbraw/zinc/27/28/91/334272891.db2.gz NLSUCWSFCHEMPG-YGRLFVJLSA-N 2 2 321.877 3.784 20 0 DHADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414963189 334213492 /nfs/dbraw/zinc/21/34/92/334213492.db2.gz WRGXJXZKHHAWDW-WFASDCNBSA-N 2 2 300.368 3.584 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@H]2COCc3ccccc32)n1-c1ccccc1 ZINC000340485394 334215101 /nfs/dbraw/zinc/21/51/01/334215101.db2.gz HHSTYHQTSDLZIY-FQEVSTJZSA-N 2 2 319.408 3.542 20 0 DHADLP CSc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000340579097 334243356 /nfs/dbraw/zinc/24/33/56/334243356.db2.gz MSPPMJPONUOWES-ZDUSSCGKSA-N 2 2 321.515 3.658 20 0 DHADLP CSc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000340579097 334243359 /nfs/dbraw/zinc/24/33/59/334243359.db2.gz MSPPMJPONUOWES-ZDUSSCGKSA-N 2 2 321.515 3.658 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000187847467 334275790 /nfs/dbraw/zinc/27/57/90/334275790.db2.gz DFPHJCONJKZDFK-AWEZNQCLSA-N 2 2 311.404 3.855 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CCCC(F)(F)F ZINC000415061323 334261977 /nfs/dbraw/zinc/26/19/77/334261977.db2.gz CJIFIIHUSLJNJL-IUODEOHRSA-N 2 2 302.384 3.960 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CCc1ccsc1 ZINC000415064712 334262321 /nfs/dbraw/zinc/26/23/21/334262321.db2.gz LGZFDKWTCSNUQC-KDOFPFPSSA-N 2 2 302.487 3.921 20 0 DHADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000415077824 334270169 /nfs/dbraw/zinc/27/01/69/334270169.db2.gz FNLUSCIRSSIFQW-QWRGUYRKSA-N 2 2 321.412 3.562 20 0 DHADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000415115076 334283633 /nfs/dbraw/zinc/28/36/33/334283633.db2.gz TYMORUBIEAVKCJ-MGPQQGTHSA-N 2 2 307.507 3.593 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534973303 334351009 /nfs/dbraw/zinc/35/10/09/334351009.db2.gz ZDPILDCXPIFPOE-OCBCSQNSSA-N 2 2 304.865 3.790 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534973303 334351010 /nfs/dbraw/zinc/35/10/10/334351010.db2.gz ZDPILDCXPIFPOE-OCBCSQNSSA-N 2 2 304.865 3.790 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000534974443 334351215 /nfs/dbraw/zinc/35/12/15/334351215.db2.gz PBRBXMFCDAMFML-QGZVFWFLSA-N 2 2 303.837 3.984 20 0 DHADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000531983714 334358329 /nfs/dbraw/zinc/35/83/29/334358329.db2.gz WVFAOGPVFUIPAZ-XJKSGUPXSA-N 2 2 312.404 3.671 20 0 DHADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000531983714 334358331 /nfs/dbraw/zinc/35/83/31/334358331.db2.gz WVFAOGPVFUIPAZ-XJKSGUPXSA-N 2 2 312.404 3.671 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000531988594 334362705 /nfs/dbraw/zinc/36/27/05/334362705.db2.gz HEKQANCQEGBHPT-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000531988594 334362707 /nfs/dbraw/zinc/36/27/07/334362707.db2.gz HEKQANCQEGBHPT-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000531988594 334362708 /nfs/dbraw/zinc/36/27/08/334362708.db2.gz HEKQANCQEGBHPT-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000531988594 334362709 /nfs/dbraw/zinc/36/27/09/334362709.db2.gz HEKQANCQEGBHPT-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000532041645 334382408 /nfs/dbraw/zinc/38/24/08/334382408.db2.gz ITUBXJKWCFQFFX-HKUYNNGSSA-N 2 2 318.505 3.743 20 0 DHADLP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000532041645 334382410 /nfs/dbraw/zinc/38/24/10/334382410.db2.gz ITUBXJKWCFQFFX-HKUYNNGSSA-N 2 2 318.505 3.743 20 0 DHADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)CC1CCOCC1)[NH+](C)C ZINC000443205921 338447164 /nfs/dbraw/zinc/44/71/64/338447164.db2.gz FAYFZEXRIKVJMK-QKLQHJQFSA-N 2 2 318.505 3.781 20 0 DHADLP CC(C)[NH+](CCSCc1[nH+]ccn1CC(F)(F)F)C(C)C ZINC000342265438 334528715 /nfs/dbraw/zinc/52/87/15/334528715.db2.gz MOHYDHWNXGJPGQ-UHFFFAOYSA-N 2 2 323.428 3.797 20 0 DHADLP CC(C)Oc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343725946 335187031 /nfs/dbraw/zinc/18/70/31/335187031.db2.gz FFRTVEJXQNAHJD-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP CC(C)Oc1ccccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343725946 335187032 /nfs/dbraw/zinc/18/70/32/335187032.db2.gz FFRTVEJXQNAHJD-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP Fc1ccc2oc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2c1 ZINC000343772018 335192105 /nfs/dbraw/zinc/19/21/05/335192105.db2.gz VTLQWDQYGISVEK-UHFFFAOYSA-N 2 2 302.393 3.678 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343866014 335198671 /nfs/dbraw/zinc/19/86/71/335198671.db2.gz SHRKYYXGJPOUIJ-MNOVXSKESA-N 2 2 321.412 3.544 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343866014 335198673 /nfs/dbraw/zinc/19/86/73/335198673.db2.gz SHRKYYXGJPOUIJ-MNOVXSKESA-N 2 2 321.412 3.544 20 0 DHADLP CCCN(CCCCn1cc[nH+]c1C)CC[NH+]1CCCCCC1 ZINC000344029956 335210428 /nfs/dbraw/zinc/21/04/28/335210428.db2.gz BGCANHCCWABCSJ-UHFFFAOYSA-N 2 2 320.525 3.560 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000344166151 335226654 /nfs/dbraw/zinc/22/66/54/335226654.db2.gz JTORJQYJGLCUMQ-FHLIZLRMSA-N 2 2 313.445 3.727 20 0 DHADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000344327392 335241106 /nfs/dbraw/zinc/24/11/06/335241106.db2.gz LTAXMEWJNHLPMI-LTCOOKNTSA-N 2 2 313.445 3.582 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000165928808 335247413 /nfs/dbraw/zinc/24/74/13/335247413.db2.gz GVZPVLASDHJMBH-WFXMLNOXSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000165928808 335247414 /nfs/dbraw/zinc/24/74/14/335247414.db2.gz GVZPVLASDHJMBH-WFXMLNOXSA-N 2 2 323.484 3.951 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344529181 335255414 /nfs/dbraw/zinc/25/54/14/335255414.db2.gz BXCZFQUUDCTASW-GFCCVEGCSA-N 2 2 301.777 3.970 20 0 DHADLP CCC(CC)[C@H](CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OC ZINC000344824907 335281370 /nfs/dbraw/zinc/28/13/70/335281370.db2.gz KUYMMJGYNAWMIO-IBGZPJMESA-N 2 2 315.461 3.803 20 0 DHADLP CC1(C)Cc2cccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)c2O1 ZINC000366885346 335292920 /nfs/dbraw/zinc/29/29/20/335292920.db2.gz NOFBGWNBAXUELD-UHFFFAOYSA-N 2 2 314.473 3.507 20 0 DHADLP CCC1CCC([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000165989097 335298644 /nfs/dbraw/zinc/29/86/44/335298644.db2.gz DGAQZQCGGHUNEM-UHFFFAOYSA-N 2 2 301.478 3.604 20 0 DHADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345744676 335347717 /nfs/dbraw/zinc/34/77/17/335347717.db2.gz ZZBYOALOOAJPKD-UHFFFAOYSA-N 2 2 322.412 3.753 20 0 DHADLP FC(F)(F)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346133089 335379615 /nfs/dbraw/zinc/37/96/15/335379615.db2.gz MHUSLGNIMHKINL-UHFFFAOYSA-N 2 2 315.364 3.708 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@H]3CCC[C@H](C)C3)sc2C1 ZINC000346142738 335381002 /nfs/dbraw/zinc/38/10/02/335381002.db2.gz CDPOSSCZTOMBNR-GJZGRUSLSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@H]3CCC[C@H](C)C3)sc2C1 ZINC000346142738 335381003 /nfs/dbraw/zinc/38/10/03/335381003.db2.gz CDPOSSCZTOMBNR-GJZGRUSLSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@H]3CCC[C@H](C)C3)sc2C1 ZINC000346142738 335381004 /nfs/dbraw/zinc/38/10/04/335381004.db2.gz CDPOSSCZTOMBNR-GJZGRUSLSA-N 2 2 321.534 3.920 20 0 DHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC(C)(C)C3)[nH+]c2)CC1 ZINC000346805009 335437745 /nfs/dbraw/zinc/43/77/45/335437745.db2.gz YSYHPQZHRCQZGX-OAHLLOKOSA-N 2 2 316.493 3.603 20 0 DHADLP C[C@@H]([NH2+]CCCC1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000347247654 335478249 /nfs/dbraw/zinc/47/82/49/335478249.db2.gz XDWBZWZQJRJREY-MRXNPFEDSA-N 2 2 313.445 3.730 20 0 DHADLP CO[C@@H](C[NH2+]CCCc1c[nH+]ccc1C)c1ccc(Cl)cc1 ZINC000348049650 335548103 /nfs/dbraw/zinc/54/81/03/335548103.db2.gz XPMFSYLMTRXCMO-SFHVURJKSA-N 2 2 318.848 3.953 20 0 DHADLP C[C@H]([NH2+]C1CC(C(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348679525 335599814 /nfs/dbraw/zinc/59/98/14/335599814.db2.gz INYBVFSBDIXEIJ-XGNXJENSSA-N 2 2 309.335 3.864 20 0 DHADLP c1cn(Cc2ccc(NCc3cc4ccccc4o3)[nH+]c2)c[nH+]1 ZINC000351566759 336044711 /nfs/dbraw/zinc/04/47/11/336044711.db2.gz IJTWNYUNTGMEEF-UHFFFAOYSA-N 2 2 304.353 3.685 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000351849402 336073295 /nfs/dbraw/zinc/07/32/95/336073295.db2.gz GPDKLGAFCYZCNZ-YPMHNXCESA-N 2 2 321.877 3.633 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000351849402 336073296 /nfs/dbraw/zinc/07/32/96/336073296.db2.gz GPDKLGAFCYZCNZ-YPMHNXCESA-N 2 2 321.877 3.633 20 0 DHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000352019523 336189335 /nfs/dbraw/zinc/18/93/35/336189335.db2.gz FRCSTNKYYYUWIJ-SFHVURJKSA-N 2 2 322.456 3.954 20 0 DHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000352019523 336189337 /nfs/dbraw/zinc/18/93/37/336189337.db2.gz FRCSTNKYYYUWIJ-SFHVURJKSA-N 2 2 322.456 3.954 20 0 DHADLP CC[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(F)cn1 ZINC000352558732 336224630 /nfs/dbraw/zinc/22/46/30/336224630.db2.gz ZAPMOSBOCDUBTA-CQSZACIVSA-N 2 2 312.392 3.771 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+]CCc1cc[nH+]cc1C ZINC000352698711 336231083 /nfs/dbraw/zinc/23/10/83/336231083.db2.gz WZADDXDDZOMVHN-VBKFSLOCSA-N 2 2 310.441 3.772 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(C3CCC3)cc2)s1 ZINC000352709736 336231653 /nfs/dbraw/zinc/23/16/53/336231653.db2.gz FLVYTMJABKRQOF-UHFFFAOYSA-N 2 2 315.486 3.762 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000352761446 336233562 /nfs/dbraw/zinc/23/35/62/336233562.db2.gz XOJFXSVHLIMZNG-UZLBHIALSA-N 2 2 309.457 3.569 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000352761446 336233563 /nfs/dbraw/zinc/23/35/63/336233563.db2.gz XOJFXSVHLIMZNG-UZLBHIALSA-N 2 2 309.457 3.569 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2csc3ccccc23)s1 ZINC000352764689 336233719 /nfs/dbraw/zinc/23/37/19/336233719.db2.gz GASVYLVSFDIVGI-UHFFFAOYSA-N 2 2 317.483 3.709 20 0 DHADLP Cc1cc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)nc(C)[nH+]1 ZINC000352747798 336234547 /nfs/dbraw/zinc/23/45/47/336234547.db2.gz IJUCWLYAFYRGOZ-UHFFFAOYSA-N 2 2 307.401 3.913 20 0 DHADLP Cc1cc(C)cc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352756743 336235239 /nfs/dbraw/zinc/23/52/39/336235239.db2.gz CTSYILLZFVQETE-AWEZNQCLSA-N 2 2 303.475 3.672 20 0 DHADLP c1cn(-c2cccc(C[NH2+]Cc3ccc4occc4c3)c2)c[nH+]1 ZINC000352783447 336236328 /nfs/dbraw/zinc/23/63/28/336236328.db2.gz BUAWSYRKQBZVKU-UHFFFAOYSA-N 2 2 303.365 3.908 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000532463457 336249088 /nfs/dbraw/zinc/24/90/88/336249088.db2.gz WTZKGRNQMQQPLK-ABAIWWIYSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000532463457 336249089 /nfs/dbraw/zinc/24/90/89/336249089.db2.gz WTZKGRNQMQQPLK-ABAIWWIYSA-N 2 2 301.261 3.813 20 0 DHADLP CC[C@@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)C1CCOCC1 ZINC000532452089 336250007 /nfs/dbraw/zinc/25/00/07/336250007.db2.gz OYQZYYWSPKZUIN-WOJBJXKFSA-N 2 2 316.489 3.618 20 0 DHADLP C[C@H](CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532522466 336252433 /nfs/dbraw/zinc/25/24/33/336252433.db2.gz UONGLDJNJBYXGM-XJKCOSOUSA-N 2 2 314.395 3.739 20 0 DHADLP C[C@H](CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532522466 336252434 /nfs/dbraw/zinc/25/24/34/336252434.db2.gz UONGLDJNJBYXGM-XJKCOSOUSA-N 2 2 314.395 3.739 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532530522 336253862 /nfs/dbraw/zinc/25/38/62/336253862.db2.gz XOLLUQWOYULYFO-KGLIPLIRSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532530522 336253863 /nfs/dbraw/zinc/25/38/63/336253863.db2.gz XOLLUQWOYULYFO-KGLIPLIRSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)CCC2 ZINC000324829764 336261077 /nfs/dbraw/zinc/26/10/77/336261077.db2.gz HXWYDONYWXTFAL-INIZCTEOSA-N 2 2 321.468 3.890 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000352829123 336267234 /nfs/dbraw/zinc/26/72/34/336267234.db2.gz PTPOHVJOYSOJKO-ZTFGCOKTSA-N 2 2 312.457 3.505 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000352829123 336267235 /nfs/dbraw/zinc/26/72/35/336267235.db2.gz PTPOHVJOYSOJKO-ZTFGCOKTSA-N 2 2 312.457 3.505 20 0 DHADLP Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC000301057859 336287634 /nfs/dbraw/zinc/28/76/34/336287634.db2.gz ITRTWHSZYKQRPD-OAHLLOKOSA-N 2 2 314.433 3.750 20 0 DHADLP CC(C)c1nc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc[nH+]1 ZINC000301224635 336295497 /nfs/dbraw/zinc/29/54/97/336295497.db2.gz CRBAHMIDUDHRKX-KRWDZBQOSA-N 2 2 316.493 3.548 20 0 DHADLP CSc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)s1 ZINC000352880229 336304449 /nfs/dbraw/zinc/30/44/49/336304449.db2.gz AJEUGPWNJZOQIF-UHFFFAOYSA-N 2 2 316.455 3.722 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301544339 336313720 /nfs/dbraw/zinc/31/37/20/336313720.db2.gz SWYMXCZFAHCJMZ-HNNXBMFYSA-N 2 2 304.482 3.841 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301544339 336313721 /nfs/dbraw/zinc/31/37/21/336313721.db2.gz SWYMXCZFAHCJMZ-HNNXBMFYSA-N 2 2 304.482 3.841 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301804412 336331145 /nfs/dbraw/zinc/33/11/45/336331145.db2.gz XGLZAYVNKRVNDG-OAHLLOKOSA-N 2 2 304.482 3.554 20 0 DHADLP CC(C)C[N@H+]1CCC[C@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301804412 336331146 /nfs/dbraw/zinc/33/11/46/336331146.db2.gz XGLZAYVNKRVNDG-OAHLLOKOSA-N 2 2 304.482 3.554 20 0 DHADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301824405 336332498 /nfs/dbraw/zinc/33/24/98/336332498.db2.gz DDNAYZSZCGFPMP-AEFFLSMTSA-N 2 2 310.445 3.766 20 0 DHADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301824405 336332499 /nfs/dbraw/zinc/33/24/99/336332499.db2.gz DDNAYZSZCGFPMP-AEFFLSMTSA-N 2 2 310.445 3.766 20 0 DHADLP COc1cccc2c(NCCc3cc[nH+]cc3C)cc(C)[nH+]c12 ZINC000301861432 336334775 /nfs/dbraw/zinc/33/47/75/336334775.db2.gz TYBPSNSVPJQTSB-UHFFFAOYSA-N 2 2 307.397 3.910 20 0 DHADLP CC(C)c1cc(NCCC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000301867803 336335267 /nfs/dbraw/zinc/33/52/67/336335267.db2.gz NTZTXJVEDWPPGC-UHFFFAOYSA-N 2 2 304.482 3.867 20 0 DHADLP COc1cccc2c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc(C)[nH+]c12 ZINC000301973545 336340760 /nfs/dbraw/zinc/34/07/60/336340760.db2.gz AWVARJNRONIQDG-CQSZACIVSA-N 2 2 322.412 3.659 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302102942 336348534 /nfs/dbraw/zinc/34/85/34/336348534.db2.gz QQKGEEWMWNQTAB-RTBURBONSA-N 2 2 322.456 3.521 20 0 DHADLP Cc1ccc2[nH+]ccc(NCCc3cn4ccccc4[nH+]3)c2c1 ZINC000302170958 336352103 /nfs/dbraw/zinc/35/21/03/336352103.db2.gz UOCFGDIAKGLTQM-UHFFFAOYSA-N 2 2 302.381 3.846 20 0 DHADLP Cc1cc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc[nH+]1 ZINC000302306326 336357041 /nfs/dbraw/zinc/35/70/41/336357041.db2.gz OFOZTGWLYMFBNF-UHFFFAOYSA-N 2 2 319.811 3.505 20 0 DHADLP COc1cccc2c(NC3CC[NH+](C(C)(C)C)CC3)cc[nH+]c12 ZINC000302459007 336359191 /nfs/dbraw/zinc/35/91/91/336359191.db2.gz RAGSLRLYEUOEFJ-UHFFFAOYSA-N 2 2 313.445 3.918 20 0 DHADLP COc1cccc2c(NC[C@@H]3CC[N@H+](CC(C)C)C3)cc[nH+]c12 ZINC000302494039 336359978 /nfs/dbraw/zinc/35/99/78/336359978.db2.gz ASFIOVOPBNODER-HNNXBMFYSA-N 2 2 313.445 3.633 20 0 DHADLP COc1cccc2c(NC[C@@H]3CC[N@@H+](CC(C)C)C3)cc[nH+]c12 ZINC000302494039 336359979 /nfs/dbraw/zinc/35/99/79/336359979.db2.gz ASFIOVOPBNODER-HNNXBMFYSA-N 2 2 313.445 3.633 20 0 DHADLP Cc1ccc([C@H](CNc2cc[nH+]c(C3CC3)n2)[NH+]2CCCC2)o1 ZINC000110474163 336396655 /nfs/dbraw/zinc/39/66/55/336396655.db2.gz HCRXUMMBGPZLCY-HNNXBMFYSA-N 2 2 312.417 3.504 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2cccc(-c3cnn(C)c3)c2)c[nH+]1 ZINC000354580583 336475779 /nfs/dbraw/zinc/47/57/79/336475779.db2.gz WKGIIKZJEOFKQD-UHFFFAOYSA-N 2 2 320.440 3.513 20 0 DHADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354630816 336476971 /nfs/dbraw/zinc/47/69/71/336476971.db2.gz DOPHMZGRNAULIH-HNNXBMFYSA-N 2 2 314.477 3.933 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000356873708 336564339 /nfs/dbraw/zinc/56/43/39/336564339.db2.gz QAGPMLHLZSLXSO-AWEZNQCLSA-N 2 2 324.403 3.820 20 0 DHADLP COCCCCc1ccc[nH+]c1NCc1c[nH+]c2cc(C)ccn12 ZINC000359492179 336674944 /nfs/dbraw/zinc/67/49/44/336674944.db2.gz IEUIMHWOPBUVQS-UHFFFAOYSA-N 2 2 324.428 3.619 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCc2cnn(C(C)C)c21 ZINC000367361899 336691417 /nfs/dbraw/zinc/69/14/17/336691417.db2.gz SUHKCHXTBIHPPS-GOSISDBHSA-N 2 2 312.461 3.767 20 0 DHADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000361093673 336738286 /nfs/dbraw/zinc/73/82/86/336738286.db2.gz BQMUCFKASUHARE-WIYYLYMNSA-N 2 2 324.468 3.532 20 0 DHADLP COC(C)(C)CC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000361351598 336752948 /nfs/dbraw/zinc/75/29/48/336752948.db2.gz MFLDMTBNEFAAKO-UHFFFAOYSA-N 2 2 315.461 3.797 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)c2ccccc21 ZINC000361973140 336780584 /nfs/dbraw/zinc/78/05/84/336780584.db2.gz WGDUXHHWGPMEBZ-OLMNPRSZSA-N 2 2 304.503 3.652 20 0 DHADLP Fc1cc(Cl)cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000362521400 336801907 /nfs/dbraw/zinc/80/19/07/336801907.db2.gz UQUGLXTWKAXSJN-UHFFFAOYSA-N 2 2 315.779 3.955 20 0 DHADLP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368003961 336834173 /nfs/dbraw/zinc/83/41/73/336834173.db2.gz AQWULMAZTIBSLO-IRXDYDNUSA-N 2 2 303.494 3.850 20 0 DHADLP Cc1cc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc(C)c1O ZINC000368578736 336848463 /nfs/dbraw/zinc/84/84/63/336848463.db2.gz PRZRMRWJPNGLJB-UHFFFAOYSA-N 2 2 302.462 3.506 20 0 DHADLP FC(F)(F)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000368736929 336851482 /nfs/dbraw/zinc/85/14/82/336851482.db2.gz ADLPOVRDGAHVNF-UHFFFAOYSA-N 2 2 320.786 3.846 20 0 DHADLP FC(F)(F)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000370259482 336881080 /nfs/dbraw/zinc/88/10/80/336881080.db2.gz DAOYOQFASDVKCH-UHFFFAOYSA-N 2 2 309.335 3.528 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(F)cc1Cl)CCC2 ZINC000370714026 336891755 /nfs/dbraw/zinc/89/17/55/336891755.db2.gz FERSEHFOADNICB-CYBMUJFWSA-N 2 2 307.800 3.651 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCC1 ZINC000373482621 336961861 /nfs/dbraw/zinc/96/18/61/336961861.db2.gz SMRDEZMLDXKDNF-VCANKDNSSA-N 2 2 304.400 3.570 20 0 DHADLP CCc1nc(C)c([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000373524622 336963887 /nfs/dbraw/zinc/96/38/87/336963887.db2.gz TZNCMMMJUNTTHS-GRTSSRMGSA-N 2 2 307.507 3.681 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CC(C)(C)Cc3occc31)CCC2 ZINC000374573851 336992585 /nfs/dbraw/zinc/99/25/85/336992585.db2.gz DTHYZLYOSNWZHN-GDBMZVCRSA-N 2 2 313.445 3.965 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]([C@@H](C)C3CC3)C3CC3)sc2C1 ZINC000374951227 337000180 /nfs/dbraw/zinc/00/01/80/337000180.db2.gz VJPFQAFQJJQFBL-ZDUSSCGKSA-N 2 2 319.518 3.673 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]([C@@H](C)C3CC3)C3CC3)sc2C1 ZINC000374951227 337000181 /nfs/dbraw/zinc/00/01/81/337000181.db2.gz VJPFQAFQJJQFBL-ZDUSSCGKSA-N 2 2 319.518 3.673 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]([C@@H](C)C3CC3)C3CC3)sc2C1 ZINC000374951227 337000182 /nfs/dbraw/zinc/00/01/82/337000182.db2.gz VJPFQAFQJJQFBL-ZDUSSCGKSA-N 2 2 319.518 3.673 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]([C@@H](C)C3CC3)C3CC3)sc2C1 ZINC000374951227 337000183 /nfs/dbraw/zinc/00/01/83/337000183.db2.gz VJPFQAFQJJQFBL-ZDUSSCGKSA-N 2 2 319.518 3.673 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc(Oc3ccccc3)o1)C2 ZINC000375850668 337021434 /nfs/dbraw/zinc/02/14/34/337021434.db2.gz PYYVAUGRMWOZIB-OAHLLOKOSA-N 2 2 323.396 3.681 20 0 DHADLP COc1cccc2c(NCc3c[nH+]c4n3CCCC4)c(C)c[nH+]c12 ZINC000376471422 337034263 /nfs/dbraw/zinc/03/42/63/337034263.db2.gz DEBDPJXSBATFFO-UHFFFAOYSA-N 2 2 322.412 3.697 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376595795 337037513 /nfs/dbraw/zinc/03/75/13/337037513.db2.gz QWNUWBPVTILSIQ-WBVHZDCISA-N 2 2 315.436 3.760 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376595795 337037514 /nfs/dbraw/zinc/03/75/14/337037514.db2.gz QWNUWBPVTILSIQ-WBVHZDCISA-N 2 2 315.436 3.760 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000376692437 337039605 /nfs/dbraw/zinc/03/96/05/337039605.db2.gz YDDGFOZKMLOBJJ-HAMDTZRPSA-N 2 2 321.468 3.610 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]C2CC(c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000376692437 337039606 /nfs/dbraw/zinc/03/96/06/337039606.db2.gz YDDGFOZKMLOBJJ-HAMDTZRPSA-N 2 2 321.468 3.610 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000376730888 337040171 /nfs/dbraw/zinc/04/01/71/337040171.db2.gz ZZWZGUOHASNOBE-UHFFFAOYSA-N 2 2 315.383 3.678 20 0 DHADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377256110 337049560 /nfs/dbraw/zinc/04/95/60/337049560.db2.gz JUTZQEGLEFUREC-KANFNMMFSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377256110 337049561 /nfs/dbraw/zinc/04/95/61/337049561.db2.gz JUTZQEGLEFUREC-KANFNMMFSA-N 2 2 315.505 3.879 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000377620860 337056591 /nfs/dbraw/zinc/05/65/91/337056591.db2.gz HBJQNNIATGEQHJ-UHFFFAOYSA-N 2 2 324.468 3.743 20 0 DHADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377693949 337058853 /nfs/dbraw/zinc/05/88/53/337058853.db2.gz DNZDERZPLQVAPR-CAMMJAKZSA-N 2 2 303.494 3.879 20 0 DHADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377693949 337058854 /nfs/dbraw/zinc/05/88/54/337058854.db2.gz DNZDERZPLQVAPR-CAMMJAKZSA-N 2 2 303.494 3.879 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)CCC2 ZINC000377830321 337061994 /nfs/dbraw/zinc/06/19/94/337061994.db2.gz CNQHSSGHNWNSTQ-AWEZNQCLSA-N 2 2 323.362 3.878 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1cccc(O)c1 ZINC000378165865 337067545 /nfs/dbraw/zinc/06/75/45/337067545.db2.gz KWLNTNNGRBYBSQ-CQSZACIVSA-N 2 2 316.470 3.769 20 0 DHADLP CCC(CC)C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000378245315 337068592 /nfs/dbraw/zinc/06/85/92/337068592.db2.gz SNXXFZAVWSFEDX-GUYCJALGSA-N 2 2 309.523 3.688 20 0 DHADLP CCC(CC)C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000378245315 337068593 /nfs/dbraw/zinc/06/85/93/337068593.db2.gz SNXXFZAVWSFEDX-GUYCJALGSA-N 2 2 309.523 3.688 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CC3CCCCC3)[C@H](C)C2)s1 ZINC000378243581 337068628 /nfs/dbraw/zinc/06/86/28/337068628.db2.gz NJTQIHRURGYBHL-RDTXWAMCSA-N 2 2 321.534 3.832 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CC3CCCCC3)[C@H](C)C2)s1 ZINC000378243581 337068629 /nfs/dbraw/zinc/06/86/29/337068629.db2.gz NJTQIHRURGYBHL-RDTXWAMCSA-N 2 2 321.534 3.832 20 0 DHADLP CC(C)n1cc[nH+]c1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000172544861 337129953 /nfs/dbraw/zinc/12/99/53/337129953.db2.gz ZQWWSCZXBJBJIT-GOSISDBHSA-N 2 2 318.509 3.552 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)sc1C ZINC000176353966 337150961 /nfs/dbraw/zinc/15/09/61/337150961.db2.gz RQQFGLVIWWMLAJ-KRWDZBQOSA-N 2 2 321.534 3.848 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)sc1C ZINC000176353966 337150962 /nfs/dbraw/zinc/15/09/62/337150962.db2.gz RQQFGLVIWWMLAJ-KRWDZBQOSA-N 2 2 321.534 3.848 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177934182 337159123 /nfs/dbraw/zinc/15/91/23/337159123.db2.gz XCGSWFYUVBEXAI-MRXNPFEDSA-N 2 2 321.424 3.791 20 0 DHADLP CSc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000179434115 337169475 /nfs/dbraw/zinc/16/94/75/337169475.db2.gz KTJUBOATWZZKFZ-MRXNPFEDSA-N 2 2 315.486 3.597 20 0 DHADLP CSc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000179434106 337169494 /nfs/dbraw/zinc/16/94/94/337169494.db2.gz KTJUBOATWZZKFZ-INIZCTEOSA-N 2 2 315.486 3.597 20 0 DHADLP C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183999407 337194392 /nfs/dbraw/zinc/19/43/92/337194392.db2.gz KQVYJEAETPKFDB-LPHOPBHVSA-N 2 2 313.445 3.872 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000184730143 337200091 /nfs/dbraw/zinc/20/00/91/337200091.db2.gz WVUYJAQTKDSMSP-OAHLLOKOSA-N 2 2 309.413 3.621 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000184730143 337200092 /nfs/dbraw/zinc/20/00/92/337200092.db2.gz WVUYJAQTKDSMSP-OAHLLOKOSA-N 2 2 309.413 3.621 20 0 DHADLP Clc1cccc2c(NC3CC[NH+](C4CC4)CC3)cc[nH+]c12 ZINC000583134595 337243164 /nfs/dbraw/zinc/24/31/64/337243164.db2.gz QBPCIULWIYZSII-UHFFFAOYSA-N 2 2 301.821 3.927 20 0 DHADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)c1ccc(F)cn1 ZINC000321690750 337284454 /nfs/dbraw/zinc/28/44/54/337284454.db2.gz UJHCBSBRKQQIIF-HNNXBMFYSA-N 2 2 312.392 3.620 20 0 DHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(Cl)c3Cl)C2)C1 ZINC000583251493 337288526 /nfs/dbraw/zinc/28/85/26/337288526.db2.gz IHGNXSYYPLZDFO-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(Cl)c3Cl)C2)C1 ZINC000583251493 337288527 /nfs/dbraw/zinc/28/85/27/337288527.db2.gz IHGNXSYYPLZDFO-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(Cl)c3Cl)C2)C1 ZINC000583251493 337288528 /nfs/dbraw/zinc/28/85/28/337288528.db2.gz IHGNXSYYPLZDFO-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)C1 ZINC000583251493 337288529 /nfs/dbraw/zinc/28/85/29/337288529.db2.gz IHGNXSYYPLZDFO-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1csc(Cl)c1 ZINC000191163552 337292692 /nfs/dbraw/zinc/29/26/92/337292692.db2.gz LPRGGVIQTLXYGI-NSHDSACASA-N 2 2 318.833 3.833 20 0 DHADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1 ZINC000192155125 337303492 /nfs/dbraw/zinc/30/34/92/337303492.db2.gz STQQVDVNJPWTLO-FQEVSTJZSA-N 2 2 321.424 3.658 20 0 DHADLP Clc1ccc(CCCC[NH2+]CCn2cc[nH+]c2)cc1Cl ZINC000192452721 337305386 /nfs/dbraw/zinc/30/53/86/337305386.db2.gz IQWLAXHVCDLMFQ-UHFFFAOYSA-N 2 2 312.244 3.802 20 0 DHADLP COc1cccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1F ZINC000192675409 337306794 /nfs/dbraw/zinc/30/67/94/337306794.db2.gz MRJHGWPIFNYCLR-UHFFFAOYSA-N 2 2 320.452 3.579 20 0 DHADLP Fc1cc(C[NH2+][C@@H]2CCCc3occc32)ccc1-n1cc[nH+]c1 ZINC000192946876 337308551 /nfs/dbraw/zinc/30/85/51/337308551.db2.gz FTXGECONELFUSX-MRXNPFEDSA-N 2 2 311.360 3.772 20 0 DHADLP CC(C)c1nc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000192959859 337308578 /nfs/dbraw/zinc/30/85/78/337308578.db2.gz AEBZXBXJWOYBNR-QGZVFWFLSA-N 2 2 310.445 3.534 20 0 DHADLP CC(C)c1nc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000192959859 337308579 /nfs/dbraw/zinc/30/85/79/337308579.db2.gz AEBZXBXJWOYBNR-QGZVFWFLSA-N 2 2 310.445 3.534 20 0 DHADLP CC(C)C(C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)C ZINC000193340787 337310076 /nfs/dbraw/zinc/31/00/76/337310076.db2.gz PXOOSIATUXCPRH-UHFFFAOYSA-N 2 2 303.494 3.564 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1sccc1Br ZINC000037229635 337362252 /nfs/dbraw/zinc/36/22/52/337362252.db2.gz MTOIBYWTXJALQN-LLVKDONJSA-N 2 2 317.296 3.647 20 0 DHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000421842578 337653649 /nfs/dbraw/zinc/65/36/49/337653649.db2.gz LJEGJYQJFMREIQ-CYBMUJFWSA-N 2 2 310.869 3.872 20 0 DHADLP CSc1ccc(F)cc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422814151 337687931 /nfs/dbraw/zinc/68/79/31/337687931.db2.gz ZTXWXOIMCJSODH-HOTGVXAUSA-N 2 2 302.418 3.782 20 0 DHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000422967031 337695213 /nfs/dbraw/zinc/69/52/13/337695213.db2.gz SBMJCFAOTBQCFA-YWZLYKJASA-N 2 2 321.424 3.882 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2N2CCCCC2)c2ccccc21 ZINC000423043264 337696883 /nfs/dbraw/zinc/69/68/83/337696883.db2.gz OBJZJWPQXFPHMK-UXHICEINSA-N 2 2 321.468 3.911 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c2ccccc21 ZINC000423165387 337702117 /nfs/dbraw/zinc/70/21/17/337702117.db2.gz UMUNOKHTVJPPHS-RBSFLKMASA-N 2 2 318.342 3.826 20 0 DHADLP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423197494 337703360 /nfs/dbraw/zinc/70/33/60/337703360.db2.gz ZPGZXULMDJZBHD-ZWNOBZJWSA-N 2 2 315.244 3.549 20 0 DHADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@H]3CCC[NH2+]C3)cs2)cs1 ZINC000423196743 337703370 /nfs/dbraw/zinc/70/33/70/337703370.db2.gz WBILQUAONWIQAY-MFKMUULPSA-N 2 2 307.488 3.583 20 0 DHADLP C[NH2+]CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423199692 337703512 /nfs/dbraw/zinc/70/35/12/337703512.db2.gz KNFUTFKONWWDQE-QGZVFWFLSA-N 2 2 306.812 3.768 20 0 DHADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423259174 337707822 /nfs/dbraw/zinc/70/78/22/337707822.db2.gz DDKMGABZPPNHLI-HOTGVXAUSA-N 2 2 313.445 3.898 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1csc(-c2ccccc2F)n1 ZINC000423366556 337714770 /nfs/dbraw/zinc/71/47/70/337714770.db2.gz XVZFLLOHEWCADX-CHWSQXEVSA-N 2 2 319.449 3.742 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3C[NH2+]CC[C@H]3C)cs2)cs1 ZINC000423373907 337715282 /nfs/dbraw/zinc/71/52/82/337715282.db2.gz WRNCQUFSWASOBE-UHIISALHSA-N 2 2 321.515 3.829 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423373061 337715312 /nfs/dbraw/zinc/71/53/12/337715312.db2.gz HASDEXNRUCSYAN-VXGBXAGGSA-N 2 2 320.424 3.990 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH2+]1 ZINC000423393596 337718540 /nfs/dbraw/zinc/71/85/40/337718540.db2.gz YXAJGBVZZGTDTR-FZKQIMNGSA-N 2 2 316.395 3.784 20 0 DHADLP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423463131 337720688 /nfs/dbraw/zinc/72/06/88/337720688.db2.gz LCWQIJSJTOPGMC-NVXWUHKLSA-N 2 2 320.383 3.704 20 0 DHADLP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423479510 337721842 /nfs/dbraw/zinc/72/18/42/337721842.db2.gz VOGCGBOFGQFJCJ-QUCCMNQESA-N 2 2 323.415 3.790 20 0 DHADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1csc(-c2ccccc2F)n1 ZINC000423561133 337725571 /nfs/dbraw/zinc/72/55/71/337725571.db2.gz PVCGZOVSLRLCHJ-LBPRGKRZSA-N 2 2 319.449 3.742 20 0 DHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)C1CCCC1 ZINC000527512838 337748252 /nfs/dbraw/zinc/74/82/52/337748252.db2.gz IIKYKTYXKBZNED-MRXNPFEDSA-N 2 2 301.478 3.737 20 0 DHADLP CC(C)[NH+]1CCC([NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000527630536 337752979 /nfs/dbraw/zinc/75/29/79/337752979.db2.gz CXTBPYWYVLQEIW-UHFFFAOYSA-N 2 2 302.796 3.581 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCC[C@@H](c3ccccc3)CC1)CC2 ZINC000527695139 337760430 /nfs/dbraw/zinc/76/04/30/337760430.db2.gz MXCRMESARYLSOM-QYZOEREBSA-N 2 2 309.457 3.904 20 0 DHADLP c1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CCC2)nc1 ZINC000527967773 337781027 /nfs/dbraw/zinc/78/10/27/337781027.db2.gz MYQWFDAGUYZTRZ-FQEVSTJZSA-N 2 2 322.456 3.576 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000424271594 337813917 /nfs/dbraw/zinc/81/39/17/337813917.db2.gz SFTLXNRXJNQUDZ-ZDUSSCGKSA-N 2 2 322.880 3.874 20 0 DHADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000424289941 337815670 /nfs/dbraw/zinc/81/56/70/337815670.db2.gz CUDSAXASBAPQQR-HUUCEWRRSA-N 2 2 321.877 3.823 20 0 DHADLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1nc2ccccc2n1C)C(C)C ZINC000091350244 337891929 /nfs/dbraw/zinc/89/19/29/337891929.db2.gz PLWMORPVZNWEQC-INIZCTEOSA-N 2 2 316.493 3.733 20 0 DHADLP Cc1cc(C)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000121351524 337892387 /nfs/dbraw/zinc/89/23/87/337892387.db2.gz TTYRAAXBVUOQOT-UHFFFAOYSA-N 2 2 309.457 3.765 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1nc2c(s1)CCCC2 ZINC000091733567 337894999 /nfs/dbraw/zinc/89/49/99/337894999.db2.gz WRVUQUUJGAPBLR-MCIONIFRSA-N 2 2 307.507 3.545 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1nc2c(s1)CCCC2 ZINC000093370482 337915731 /nfs/dbraw/zinc/91/57/31/337915731.db2.gz OJNICMANKNCJKN-AWEZNQCLSA-N 2 2 307.507 3.549 20 0 DHADLP Clc1ccc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000515292129 337984431 /nfs/dbraw/zinc/98/44/31/337984431.db2.gz MSBFKZQAXZIBGE-UHFFFAOYSA-N 2 2 315.848 3.854 20 0 DHADLP CSc1cccc(F)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000515443973 337989279 /nfs/dbraw/zinc/98/92/79/337989279.db2.gz YYPBFECDFLYKNX-UHFFFAOYSA-N 2 2 308.466 3.512 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)n1C ZINC000515499801 337990900 /nfs/dbraw/zinc/99/09/00/337990900.db2.gz HBBKHIHQQLUFAN-UHFFFAOYSA-N 2 2 323.362 3.569 20 0 DHADLP CCc1nc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)o1 ZINC000426324540 338027001 /nfs/dbraw/zinc/02/70/01/338027001.db2.gz FRDCNJNFTFGAEL-PBHICJAKSA-N 2 2 319.493 3.678 20 0 DHADLP CC(C)O[C@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000428300762 338046317 /nfs/dbraw/zinc/04/63/17/338046317.db2.gz ICHIQYCCPFEDRL-LJQANCHMSA-N 2 2 316.489 3.713 20 0 DHADLP CC(C)O[C@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)c1ccccc1 ZINC000428300762 338046318 /nfs/dbraw/zinc/04/63/18/338046318.db2.gz ICHIQYCCPFEDRL-LJQANCHMSA-N 2 2 316.489 3.713 20 0 DHADLP CC(C)(C[NH2+]Cc1nc2ccc(F)cc2s1)C[NH+]1CCCC1 ZINC000428552552 338056016 /nfs/dbraw/zinc/05/60/16/338056016.db2.gz VNKWXZKOVDILQH-UHFFFAOYSA-N 2 2 321.465 3.647 20 0 DHADLP COCC(C)(C)[N@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000429240981 338074448 /nfs/dbraw/zinc/07/44/48/338074448.db2.gz KXRHGDOSTAULPU-UHFFFAOYSA-N 2 2 317.477 3.872 20 0 DHADLP COCC(C)(C)[N@@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000429240981 338074449 /nfs/dbraw/zinc/07/44/49/338074449.db2.gz KXRHGDOSTAULPU-UHFFFAOYSA-N 2 2 317.477 3.872 20 0 DHADLP COC1(C[C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CCC1 ZINC000429368483 338078706 /nfs/dbraw/zinc/07/87/06/338078706.db2.gz WRSPISAPDFNYDM-IEBWSBKVSA-N 2 2 316.489 3.761 20 0 DHADLP CCC(CC)(CC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429678628 338087168 /nfs/dbraw/zinc/08/71/68/338087168.db2.gz GEWGEZZCCFXSNE-IBGZPJMESA-N 2 2 318.505 3.836 20 0 DHADLP CCC(CC)(CC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429678628 338087169 /nfs/dbraw/zinc/08/71/69/338087169.db2.gz GEWGEZZCCFXSNE-IBGZPJMESA-N 2 2 318.505 3.836 20 0 DHADLP Cc1cnc([C@@H]([NH2+]CCCc2c[nH+]ccc2C)C2CC2)s1 ZINC000429841127 338090960 /nfs/dbraw/zinc/09/09/60/338090960.db2.gz DGXDJDLDMUAWBU-INIZCTEOSA-N 2 2 301.459 3.828 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[N@@H+]1C ZINC000430027326 338093858 /nfs/dbraw/zinc/09/38/58/338093858.db2.gz NLGQWWFYRBHNBF-CXAGYDPISA-N 2 2 322.880 3.701 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[N@H+]1C ZINC000430027326 338093859 /nfs/dbraw/zinc/09/38/59/338093859.db2.gz NLGQWWFYRBHNBF-CXAGYDPISA-N 2 2 322.880 3.701 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000430576807 338108980 /nfs/dbraw/zinc/10/89/80/338108980.db2.gz XXSQHAPXTHMPQY-ZBFHGGJFSA-N 2 2 301.434 3.708 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000430576807 338108981 /nfs/dbraw/zinc/10/89/81/338108981.db2.gz XXSQHAPXTHMPQY-ZBFHGGJFSA-N 2 2 301.434 3.708 20 0 DHADLP CC(C)c1ccc(-c2ncc(C[NH+]3CCC([NH3+])CC3)s2)cc1 ZINC000430591103 338109372 /nfs/dbraw/zinc/10/93/72/338109372.db2.gz JSDGTBLIGZINNC-UHFFFAOYSA-N 2 2 315.486 3.857 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000430644320 338110253 /nfs/dbraw/zinc/11/02/53/338110253.db2.gz NCDWAJASCIZYOG-HNNXBMFYSA-N 2 2 315.486 3.543 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000430644320 338110254 /nfs/dbraw/zinc/11/02/54/338110254.db2.gz NCDWAJASCIZYOG-HNNXBMFYSA-N 2 2 315.486 3.543 20 0 DHADLP CC(C)(C)C(C)(C)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000431165051 338124689 /nfs/dbraw/zinc/12/46/89/338124689.db2.gz BNAVRPSMGXLNJH-UHFFFAOYSA-N 2 2 324.432 3.695 20 0 DHADLP C[N@@H+](Cc1ccc(C(F)(F)F)s1)C[C@H]1CCC[NH+](C)C1 ZINC000432736249 338165127 /nfs/dbraw/zinc/16/51/27/338165127.db2.gz CKJGSHIDAZSJQG-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[N@H+](Cc1ccc(C(F)(F)F)s1)C[C@H]1CCC[NH+](C)C1 ZINC000432736249 338165128 /nfs/dbraw/zinc/16/51/28/338165128.db2.gz CKJGSHIDAZSJQG-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1ccc(C(F)(F)F)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000432736249 338165129 /nfs/dbraw/zinc/16/51/29/338165129.db2.gz CKJGSHIDAZSJQG-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1ccc(C(F)(F)F)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000432736249 338165130 /nfs/dbraw/zinc/16/51/30/338165130.db2.gz CKJGSHIDAZSJQG-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432739056 338165187 /nfs/dbraw/zinc/16/51/87/338165187.db2.gz OSESENREHQTXHP-GFCCVEGCSA-N 2 2 320.424 3.931 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432739056 338165188 /nfs/dbraw/zinc/16/51/88/338165188.db2.gz OSESENREHQTXHP-GFCCVEGCSA-N 2 2 320.424 3.931 20 0 DHADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000432741465 338165393 /nfs/dbraw/zinc/16/53/93/338165393.db2.gz GZVBUGMWTPNUBJ-JTQLQIEISA-N 2 2 315.364 3.870 20 0 DHADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000432741465 338165394 /nfs/dbraw/zinc/16/53/94/338165394.db2.gz GZVBUGMWTPNUBJ-JTQLQIEISA-N 2 2 315.364 3.870 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432755141 338166645 /nfs/dbraw/zinc/16/66/45/338166645.db2.gz RTCNKJGHPPDNOG-UHFFFAOYSA-N 2 2 306.397 3.683 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432755141 338166646 /nfs/dbraw/zinc/16/66/46/338166646.db2.gz RTCNKJGHPPDNOG-UHFFFAOYSA-N 2 2 306.397 3.683 20 0 DHADLP COc1cccc([C@H](C[NH2+]C2CC(C)(C)C2)[NH+]2CCCC2)c1 ZINC000433168648 338183889 /nfs/dbraw/zinc/18/38/89/338183889.db2.gz SSFHHFHHWBVNHI-SFHVURJKSA-N 2 2 302.462 3.610 20 0 DHADLP CCc1ccc(-c2nc(C[NH+]3CCC([NH3+])CC3)sc2C)cc1 ZINC000434660156 338222656 /nfs/dbraw/zinc/22/26/56/338222656.db2.gz XPVOHQWLYQVWEV-UHFFFAOYSA-N 2 2 315.486 3.604 20 0 DHADLP CC1(C)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000435050993 338230916 /nfs/dbraw/zinc/23/09/16/338230916.db2.gz XPNZVVSLVIDABI-UHFFFAOYSA-N 2 2 307.488 3.651 20 0 DHADLP CC1(C)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000435050993 338230917 /nfs/dbraw/zinc/23/09/17/338230917.db2.gz XPNZVVSLVIDABI-UHFFFAOYSA-N 2 2 307.488 3.651 20 0 DHADLP CC[N@H+](Cc1coc(-c2ccc(C)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435395456 338238949 /nfs/dbraw/zinc/23/89/49/338238949.db2.gz SNNDNYKIIBIJPK-GOSISDBHSA-N 2 2 313.445 3.614 20 0 DHADLP CC[N@@H+](Cc1coc(-c2ccc(C)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435395456 338238950 /nfs/dbraw/zinc/23/89/50/338238950.db2.gz SNNDNYKIIBIJPK-GOSISDBHSA-N 2 2 313.445 3.614 20 0 DHADLP COc1c(Cl)cc(Cl)cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435436225 338240078 /nfs/dbraw/zinc/24/00/78/338240078.db2.gz FDYZXGGUUYIDIK-CYBMUJFWSA-N 2 2 317.260 3.576 20 0 DHADLP COc1c(Cl)cc(Cl)cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435436225 338240079 /nfs/dbraw/zinc/24/00/79/338240079.db2.gz FDYZXGGUUYIDIK-CYBMUJFWSA-N 2 2 317.260 3.576 20 0 DHADLP COc1cccc2c(NC3CC[NH+](CC(C)C)CC3)cc[nH+]c12 ZINC000436198405 338261647 /nfs/dbraw/zinc/26/16/47/338261647.db2.gz OLSGZDDFQOBGOU-UHFFFAOYSA-N 2 2 313.445 3.776 20 0 DHADLP FC(F)(F)c1cc(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000436232882 338262708 /nfs/dbraw/zinc/26/27/08/338262708.db2.gz QJQVTDPWZGDZSA-ZDUSSCGKSA-N 2 2 318.770 3.685 20 0 DHADLP FC(F)(F)c1cc(Cl)cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000436232882 338262709 /nfs/dbraw/zinc/26/27/09/338262709.db2.gz QJQVTDPWZGDZSA-ZDUSSCGKSA-N 2 2 318.770 3.685 20 0 DHADLP c1c(CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)[nH+]c2ccccn12 ZINC000436235805 338262856 /nfs/dbraw/zinc/26/28/56/338262856.db2.gz CANZULDNGLHNEU-RTBURBONSA-N 2 2 319.452 3.878 20 0 DHADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000436305899 338268069 /nfs/dbraw/zinc/26/80/69/338268069.db2.gz HEHGNOLWZZDHCO-RNIPGJKVSA-N 2 2 308.510 3.575 20 0 DHADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000436305899 338268070 /nfs/dbraw/zinc/26/80/70/338268070.db2.gz HEHGNOLWZZDHCO-RNIPGJKVSA-N 2 2 308.510 3.575 20 0 DHADLP C[C@H](C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000437745127 338319870 /nfs/dbraw/zinc/31/98/70/338319870.db2.gz KSHRHZRGPXCRCD-APWZRJJASA-N 2 2 304.453 3.880 20 0 DHADLP C[C@H](C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000437745127 338319871 /nfs/dbraw/zinc/31/98/71/338319871.db2.gz KSHRHZRGPXCRCD-APWZRJJASA-N 2 2 304.453 3.880 20 0 DHADLP Fc1cccc2[nH]c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc21 ZINC000438100042 338331643 /nfs/dbraw/zinc/33/16/43/338331643.db2.gz YKQGRGGVPRGXAS-MRXNPFEDSA-N 2 2 315.436 3.757 20 0 DHADLP Fc1cccc2[nH]c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc21 ZINC000438100042 338331644 /nfs/dbraw/zinc/33/16/44/338331644.db2.gz YKQGRGGVPRGXAS-MRXNPFEDSA-N 2 2 315.436 3.757 20 0 DHADLP c1cn2c(cccc2C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)[nH+]1 ZINC000438376919 338342121 /nfs/dbraw/zinc/34/21/21/338342121.db2.gz PYQAUFZXEPKVBJ-ROUUACIJSA-N 2 2 305.425 3.835 20 0 DHADLP COc1cc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1C ZINC000446813593 338536572 /nfs/dbraw/zinc/53/65/72/338536572.db2.gz RMBFCBSXIRRLTA-OXQOHEQNSA-N 2 2 312.457 3.785 20 0 DHADLP COc1cc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)ccc1C ZINC000447842606 338568934 /nfs/dbraw/zinc/56/89/34/338568934.db2.gz CFRDBFXJOVCYEF-HXUWFJFHSA-N 2 2 324.468 3.930 20 0 DHADLP c1cc2cccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2o1 ZINC000449080432 338591640 /nfs/dbraw/zinc/59/16/40/338591640.db2.gz WEAFRCOJHORDOS-UHFFFAOYSA-N 2 2 307.397 3.586 20 0 DHADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000449098170 338593357 /nfs/dbraw/zinc/59/33/57/338593357.db2.gz OTIKMHWYWLROOS-OAHLLOKOSA-N 2 2 324.390 3.698 20 0 DHADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449170333 338598923 /nfs/dbraw/zinc/59/89/23/338598923.db2.gz IGSDAIYNQYHCIU-YRGRVCCFSA-N 2 2 312.379 3.554 20 0 DHADLP Cc1cccc(CC[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000449205975 338602392 /nfs/dbraw/zinc/60/23/92/338602392.db2.gz KXXQYRJVHFVHIE-SFHVURJKSA-N 2 2 323.484 3.748 20 0 DHADLP CCC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)OC ZINC000449379612 338619383 /nfs/dbraw/zinc/61/93/83/338619383.db2.gz UGKQZBKQCMRBTN-KRWDZBQOSA-N 2 2 324.896 3.709 20 0 DHADLP c1cncc(C[NH+]2CCC([NH2+]CC3(C4CCC4)CCC3)CC2)c1 ZINC000453402840 338838818 /nfs/dbraw/zinc/83/88/18/338838818.db2.gz PXLVNIHCSZLJDO-UHFFFAOYSA-N 2 2 313.489 3.606 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000459331091 339022409 /nfs/dbraw/zinc/02/24/09/339022409.db2.gz VFMATPKTUOQBAF-UHFFFAOYSA-N 2 2 323.415 3.804 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000459331091 339022410 /nfs/dbraw/zinc/02/24/10/339022410.db2.gz VFMATPKTUOQBAF-UHFFFAOYSA-N 2 2 323.415 3.804 20 0 DHADLP C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1CCc1c[nH+]cn1C ZINC000459347423 339023357 /nfs/dbraw/zinc/02/33/57/339023357.db2.gz RCIAAZMJXLNVDR-NSHDSACASA-N 2 2 324.255 3.889 20 0 DHADLP C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459347423 339023358 /nfs/dbraw/zinc/02/33/58/339023358.db2.gz RCIAAZMJXLNVDR-NSHDSACASA-N 2 2 324.255 3.889 20 0 DHADLP CC(C)c1ccc(C[C@@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000459405429 339027320 /nfs/dbraw/zinc/02/73/20/339027320.db2.gz SNZJUJFYHAJLDR-SFHVURJKSA-N 2 2 311.473 3.651 20 0 DHADLP CC(C)c1ccc(C[C@@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000459405429 339027321 /nfs/dbraw/zinc/02/73/21/339027321.db2.gz SNZJUJFYHAJLDR-SFHVURJKSA-N 2 2 311.473 3.651 20 0 DHADLP C[C@@H]([NH2+]CCOCC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000459419097 339028200 /nfs/dbraw/zinc/02/82/00/339028200.db2.gz XGVXPFBILCMRHH-MRXNPFEDSA-N 2 2 313.445 3.730 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000459662150 339041338 /nfs/dbraw/zinc/04/13/38/339041338.db2.gz NOTSSRAGJHGVSU-ZBFHGGJFSA-N 2 2 303.837 3.542 20 0 DHADLP FC(F)[C@@H](CCc1ccccc1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459662932 339041444 /nfs/dbraw/zinc/04/14/44/339041444.db2.gz VMDIPVNHEUWEJZ-QGZVFWFLSA-N 2 2 315.367 3.690 20 0 DHADLP Cc1ccc(-c2ccc(C[NH2+]CCc3cn(C)c[nH+]3)s2)cc1 ZINC000459674550 339042428 /nfs/dbraw/zinc/04/24/28/339042428.db2.gz ZJCOMSSBOMOKKJ-UHFFFAOYSA-N 2 2 311.454 3.789 20 0 DHADLP CC[C@@H]1OCC[C@H]1[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000459782302 339048271 /nfs/dbraw/zinc/04/82/71/339048271.db2.gz UCPIWHHCNUUBHI-MJGOQNOKSA-N 2 2 315.461 3.672 20 0 DHADLP c1cc2[nH+]ccc(N3CC[NH+](CCc4ccccc4)CC3)c2s1 ZINC000462085186 339071920 /nfs/dbraw/zinc/07/19/20/339071920.db2.gz RDRVPBSLUFYHEQ-UHFFFAOYSA-N 2 2 323.465 3.661 20 0 DHADLP Cc1cccn2c(C[NH2+]CC3(c4ccc(F)cc4)CCC3)c[nH+]c12 ZINC000462772179 339087705 /nfs/dbraw/zinc/08/77/05/339087705.db2.gz HVFCTULFTJRAPF-UHFFFAOYSA-N 2 2 323.415 3.993 20 0 DHADLP C[NH+](CCC[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1)Cc1ccco1 ZINC000463215375 339109862 /nfs/dbraw/zinc/10/98/62/339109862.db2.gz OSTHYPPMWZOGRA-ICSRJNTNSA-N 2 2 312.457 3.837 20 0 DHADLP C[NH+](CCC[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1)Cc1ccco1 ZINC000463215375 339109863 /nfs/dbraw/zinc/10/98/63/339109863.db2.gz OSTHYPPMWZOGRA-ICSRJNTNSA-N 2 2 312.457 3.837 20 0 DHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463215375 339109864 /nfs/dbraw/zinc/10/98/64/339109864.db2.gz OSTHYPPMWZOGRA-ICSRJNTNSA-N 2 2 312.457 3.837 20 0 DHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463215375 339109865 /nfs/dbraw/zinc/10/98/65/339109865.db2.gz OSTHYPPMWZOGRA-ICSRJNTNSA-N 2 2 312.457 3.837 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C[N@@H+]1C1CC1 ZINC000466471462 339206425 /nfs/dbraw/zinc/20/64/25/339206425.db2.gz CPOPSHQOOWYUMI-LLGZUXRYSA-N 2 2 322.855 3.940 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C[N@H+]1C1CC1 ZINC000466471462 339206426 /nfs/dbraw/zinc/20/64/26/339206426.db2.gz CPOPSHQOOWYUMI-LLGZUXRYSA-N 2 2 322.855 3.940 20 0 DHADLP CC/C=C/CC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000466800006 339217330 /nfs/dbraw/zinc/21/73/30/339217330.db2.gz BASXBHFGZBYFDS-AATRIKPKSA-N 2 2 301.478 3.976 20 0 DHADLP CC/C=C/CC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000466800006 339217331 /nfs/dbraw/zinc/21/73/31/339217331.db2.gz BASXBHFGZBYFDS-AATRIKPKSA-N 2 2 301.478 3.976 20 0 DHADLP CCCCOc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1Cl ZINC000466915240 339221385 /nfs/dbraw/zinc/22/13/85/339221385.db2.gz HWRDKYGYWXVTMV-CJNGLKHVSA-N 2 2 310.869 3.559 20 0 DHADLP CCCCOc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1Cl ZINC000466915240 339221386 /nfs/dbraw/zinc/22/13/86/339221386.db2.gz HWRDKYGYWXVTMV-CJNGLKHVSA-N 2 2 310.869 3.559 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)[NH+](C)C ZINC000467305488 339230781 /nfs/dbraw/zinc/23/07/81/339230781.db2.gz LLKQJDFALDSEMK-LBPRGKRZSA-N 2 2 302.384 3.566 20 0 DHADLP COc1ccc([C@@H](C[NH2+]C2CC(C)C2)[NH+]2CCCCC2)cc1 ZINC000467745302 339245477 /nfs/dbraw/zinc/24/54/77/339245477.db2.gz FDUVVKMEQHANFK-GXOAENINSA-N 2 2 302.462 3.610 20 0 DHADLP COc1cccc(Cl)c1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000467777863 339246528 /nfs/dbraw/zinc/24/65/28/339246528.db2.gz ZRPHVDVUZBKXDH-UHFFFAOYSA-N 2 2 312.885 3.947 20 0 DHADLP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000472054865 339361278 /nfs/dbraw/zinc/36/12/78/339361278.db2.gz SYNMRWNPLHXYBG-HNAYVOBHSA-N 2 2 300.421 3.915 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000472598492 339374784 /nfs/dbraw/zinc/37/47/84/339374784.db2.gz RHCGMLPJJQVHQB-OXJNMPFZSA-N 2 2 310.441 3.647 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000472598492 339374785 /nfs/dbraw/zinc/37/47/85/339374785.db2.gz RHCGMLPJJQVHQB-OXJNMPFZSA-N 2 2 310.441 3.647 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000474025745 339397515 /nfs/dbraw/zinc/39/75/15/339397515.db2.gz WLMMWJJQUOBXBS-NJSLBKSFSA-N 2 2 314.473 3.632 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000474025745 339397516 /nfs/dbraw/zinc/39/75/16/339397516.db2.gz WLMMWJJQUOBXBS-NJSLBKSFSA-N 2 2 314.473 3.632 20 0 DHADLP C[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)[NH+]1CCC(C)CC1 ZINC000474048046 339397943 /nfs/dbraw/zinc/39/79/43/339397943.db2.gz VKZBWVABDFYKGA-HUUCEWRRSA-N 2 2 302.453 3.910 20 0 DHADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000474480569 339416996 /nfs/dbraw/zinc/41/69/96/339416996.db2.gz DUKUYXVUKGHUCG-GVDBMIGSSA-N 2 2 322.518 3.680 20 0 DHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC000482143740 339624549 /nfs/dbraw/zinc/62/45/49/339624549.db2.gz POFQHBTYMANJID-HOTGVXAUSA-N 2 2 321.509 3.962 20 0 DHADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000482437994 339631264 /nfs/dbraw/zinc/63/12/64/339631264.db2.gz LSFUVPLKCFQJJG-MJGOQNOKSA-N 2 2 315.505 3.850 20 0 DHADLP C(=C\c1ccncc1)\C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000486969613 339740758 /nfs/dbraw/zinc/74/07/58/339740758.db2.gz PVJGTAZOHBOZOD-MAVJXHJTSA-N 2 2 313.470 3.583 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CS1 ZINC000488429703 339781733 /nfs/dbraw/zinc/78/17/33/339781733.db2.gz FDOOWVPOPQGWBW-ROUUACIJSA-N 2 2 315.486 3.551 20 0 DHADLP CC(C)(C)OC1CC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000491304071 339857345 /nfs/dbraw/zinc/85/73/45/339857345.db2.gz JAXHEOUWYCRKCB-ACBHZAAOSA-N 2 2 316.489 3.759 20 0 DHADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000491956877 339887749 /nfs/dbraw/zinc/88/77/49/339887749.db2.gz NVUMNFKFOWEXBA-QRWLVFNGSA-N 2 2 323.440 3.711 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)CCOCC1)c1ccccc1 ZINC000495058157 339971868 /nfs/dbraw/zinc/97/18/68/339971868.db2.gz IFGVYDGBIBCPFA-MJQMVNBJSA-N 2 2 316.489 3.521 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(OC(C)(C)C)c1 ZINC000499682411 340042626 /nfs/dbraw/zinc/04/26/26/340042626.db2.gz SRGWJPXTFSCMPT-DOTOQJQBSA-N 2 2 316.489 3.887 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCSC2CCCCC2)C1 ZINC000501006967 340072075 /nfs/dbraw/zinc/07/20/75/340072075.db2.gz JXPZWPPYTAAXOP-MRXNPFEDSA-N 2 2 321.534 3.741 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCSC2CCCCC2)C1 ZINC000501006967 340072076 /nfs/dbraw/zinc/07/20/76/340072076.db2.gz JXPZWPPYTAAXOP-MRXNPFEDSA-N 2 2 321.534 3.741 20 0 DHADLP CCc1cc(OC)ccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000501377253 340079366 /nfs/dbraw/zinc/07/93/66/340079366.db2.gz KAXARYQNGZHPAA-UHFFFAOYSA-N 2 2 323.440 3.856 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000502706797 340111644 /nfs/dbraw/zinc/11/16/44/340111644.db2.gz JDHZWNXHMSUUOX-GVDBMIGSSA-N 2 2 322.518 3.680 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1CCOC)c1ccccc1 ZINC000502708993 340111836 /nfs/dbraw/zinc/11/18/36/340111836.db2.gz SDXAYEOXRTXBOA-DFQSSKMNSA-N 2 2 318.505 3.864 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+]C[C@H](c2ccccc2)[NH+](CC)CC)CCO1 ZINC000503576343 340131440 /nfs/dbraw/zinc/13/14/40/340131440.db2.gz OKFKVBHVUWHKTR-MISYRCLQSA-N 2 2 318.505 3.864 20 0 DHADLP CC[C@H]1CCCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000401279714 340167037 /nfs/dbraw/zinc/16/70/37/340167037.db2.gz CNCNCECFHHITQY-IRXDYDNUSA-N 2 2 301.478 3.856 20 0 DHADLP Fc1ccc(/C=C/C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000506339472 340192744 /nfs/dbraw/zinc/19/27/44/340192744.db2.gz KDUIWAYIHRUGQN-SNAWJCMRSA-N 2 2 302.437 3.789 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000507498514 340222922 /nfs/dbraw/zinc/22/29/22/340222922.db2.gz VSNRUHREQXDJFK-INIZCTEOSA-N 2 2 303.494 3.949 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000507498514 340222923 /nfs/dbraw/zinc/22/29/23/340222923.db2.gz VSNRUHREQXDJFK-INIZCTEOSA-N 2 2 303.494 3.949 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C[C@@H](C)CC(C)C)CC1 ZINC000507522271 340224424 /nfs/dbraw/zinc/22/44/24/340224424.db2.gz FUIZJADOQYMRIT-IRXDYDNUSA-N 2 2 312.542 3.926 20 0 DHADLP C[N@@H+](Cc1csc(-c2ccccc2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000508560255 340246552 /nfs/dbraw/zinc/24/65/52/340246552.db2.gz JDDWAPPNMCKFKF-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP C[N@H+](Cc1csc(-c2ccccc2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000508560255 340246553 /nfs/dbraw/zinc/24/65/53/340246553.db2.gz JDDWAPPNMCKFKF-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](Cc1csc(-c2ccccc2)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000508560255 340246554 /nfs/dbraw/zinc/24/65/54/340246554.db2.gz JDDWAPPNMCKFKF-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](Cc1csc(-c2ccccc2)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000508560255 340246555 /nfs/dbraw/zinc/24/65/55/340246555.db2.gz JDDWAPPNMCKFKF-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000509444043 340269713 /nfs/dbraw/zinc/26/97/13/340269713.db2.gz KQMQSJNEOYEGGZ-LEWJYISDSA-N 2 2 306.453 3.654 20 0 DHADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000509444043 340269714 /nfs/dbraw/zinc/26/97/14/340269714.db2.gz KQMQSJNEOYEGGZ-LEWJYISDSA-N 2 2 306.453 3.654 20 0 DHADLP Cc1cc(OCCC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C)ccc1Cl ZINC000510733730 340308614 /nfs/dbraw/zinc/30/86/14/340308614.db2.gz MFXIQKFRWRDNMU-CABCVRRESA-N 2 2 312.885 3.736 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)c(F)c1 ZINC000173379398 340363794 /nfs/dbraw/zinc/36/37/94/340363794.db2.gz MVVJCRLBCPYSQO-CYBMUJFWSA-N 2 2 305.372 3.903 20 0 DHADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000513032541 340389602 /nfs/dbraw/zinc/38/96/02/340389602.db2.gz RZRKTPGUQNVVQA-KQGZCTBQSA-N 2 2 303.837 3.866 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000183403521 340487822 /nfs/dbraw/zinc/48/78/22/340487822.db2.gz SQYDVTLWPXHYRR-UHFFFAOYSA-N 2 2 324.468 3.888 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2csc(Br)c2)c2ccccc21 ZINC000397365385 340711701 /nfs/dbraw/zinc/71/17/01/340711701.db2.gz NIPFCRXQEWUBTO-CHWSQXEVSA-N 2 2 323.259 3.745 20 0 DHADLP COc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc2)cc1 ZINC000530213620 340782652 /nfs/dbraw/zinc/78/26/52/340782652.db2.gz AZBVRFFYWCXAIM-PMACEKPBSA-N 2 2 322.452 3.659 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1OC(F)F ZINC000530225883 340783153 /nfs/dbraw/zinc/78/31/53/340783153.db2.gz XYHCRWSTYMIPAA-ZFWWWQNUSA-N 2 2 310.388 3.613 20 0 DHADLP CCC1(CC)[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C[C@@H]1OC ZINC000539499511 340887817 /nfs/dbraw/zinc/88/78/17/340887817.db2.gz GEQAKQGACJSAFV-SJORKVTESA-N 2 2 315.461 3.679 20 0 DHADLP C[C@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)C[NH+]1CCOCC1 ZINC000540084734 340914632 /nfs/dbraw/zinc/91/46/32/340914632.db2.gz DKJOPGMSIDVEAV-CRAIPNDOSA-N 2 2 322.518 3.537 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@]3(C)CCCc4ccccc43)n2c1 ZINC000540962331 340953438 /nfs/dbraw/zinc/95/34/38/340953438.db2.gz GVOCHBKCYKUEKN-HXUWFJFHSA-N 2 2 305.425 3.984 20 0 DHADLP Cc1ccc(CCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000541326913 340967226 /nfs/dbraw/zinc/96/72/26/340967226.db2.gz XVUYSEADDZXKED-UHFFFAOYSA-N 2 2 309.457 3.899 20 0 DHADLP C[NH+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000542772912 341019766 /nfs/dbraw/zinc/01/97/66/341019766.db2.gz DWSLNEHHVZZEEV-SFHVURJKSA-N 2 2 302.849 3.971 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000543246208 341037936 /nfs/dbraw/zinc/03/79/36/341037936.db2.gz XVTNVZSJVBQXTH-BLLLJJGKSA-N 2 2 313.426 3.940 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CC[C@H](Nc4ccccc4)C3)c2)c[nH+]1 ZINC000543395757 341042119 /nfs/dbraw/zinc/04/21/19/341042119.db2.gz UVLBGDTXKDNUOI-INIZCTEOSA-N 2 2 324.453 3.620 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CC[C@H](Nc4ccccc4)C3)c2)c[nH+]1 ZINC000543395757 341042120 /nfs/dbraw/zinc/04/21/20/341042120.db2.gz UVLBGDTXKDNUOI-INIZCTEOSA-N 2 2 324.453 3.620 20 0 DHADLP CC(C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000543774997 341058114 /nfs/dbraw/zinc/05/81/14/341058114.db2.gz HAUOCIBMPGARKB-QGZVFWFLSA-N 2 2 307.388 3.928 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(F)c1 ZINC000544373908 341078954 /nfs/dbraw/zinc/07/89/54/341078954.db2.gz YEBWDFUIKBWNLY-CABCVRRESA-N 2 2 308.441 3.749 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719616 341101520 /nfs/dbraw/zinc/10/15/20/341101520.db2.gz CLEIDYYJASYYEJ-HUUCEWRRSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719616 341101521 /nfs/dbraw/zinc/10/15/21/341101521.db2.gz CLEIDYYJASYYEJ-HUUCEWRRSA-N 2 2 308.416 3.834 20 0 DHADLP COc1cc([C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)ccc1SC ZINC000545157128 341110643 /nfs/dbraw/zinc/11/06/43/341110643.db2.gz AJODPZLABRTZEL-HNNXBMFYSA-N 2 2 320.502 3.720 20 0 DHADLP COc1cc([C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)ccc1SC ZINC000545157128 341110644 /nfs/dbraw/zinc/11/06/44/341110644.db2.gz AJODPZLABRTZEL-HNNXBMFYSA-N 2 2 320.502 3.720 20 0 DHADLP COc1ccc2cc(C[NH2+]CC[N@H+]3CC=C(C)CC3)ccc2c1 ZINC000545163714 341110822 /nfs/dbraw/zinc/11/08/22/341110822.db2.gz UFNSDGPRLGHUSA-UHFFFAOYSA-N 2 2 310.441 3.590 20 0 DHADLP COc1ccc2cc(C[NH2+]CC[N@@H+]3CC=C(C)CC3)ccc2c1 ZINC000545163714 341110823 /nfs/dbraw/zinc/11/08/23/341110823.db2.gz UFNSDGPRLGHUSA-UHFFFAOYSA-N 2 2 310.441 3.590 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC000237695273 341218308 /nfs/dbraw/zinc/21/83/08/341218308.db2.gz ZNEYEMBAOVMUOG-QFBILLFUSA-N 2 2 319.452 3.921 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@H+]1Cc1ccccc1 ZINC000237695273 341218309 /nfs/dbraw/zinc/21/83/09/341218309.db2.gz ZNEYEMBAOVMUOG-QFBILLFUSA-N 2 2 319.452 3.921 20 0 DHADLP COc1cccc(Cl)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000134781527 341224011 /nfs/dbraw/zinc/22/40/11/341224011.db2.gz DIPOMOCHKZIWQS-CQSZACIVSA-N 2 2 310.869 3.560 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ncc(-c3cccs3)o2)[C@H](C)C1 ZINC000081096792 341279640 /nfs/dbraw/zinc/27/96/40/341279640.db2.gz FYJCMNRKJANYNX-ZIAGYGMSSA-N 2 2 319.474 3.565 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ncc(-c3cccs3)o2)[C@H](C)C1 ZINC000081096792 341279641 /nfs/dbraw/zinc/27/96/41/341279641.db2.gz FYJCMNRKJANYNX-ZIAGYGMSSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ncc(-c3cccs3)o2)[C@H](C)C1 ZINC000081096792 341279642 /nfs/dbraw/zinc/27/96/42/341279642.db2.gz FYJCMNRKJANYNX-ZIAGYGMSSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ncc(-c3cccs3)o2)[C@H](C)C1 ZINC000081096792 341279643 /nfs/dbraw/zinc/27/96/43/341279643.db2.gz FYJCMNRKJANYNX-ZIAGYGMSSA-N 2 2 319.474 3.565 20 0 DHADLP CC(C)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(F)(F)F ZINC000548975931 341282685 /nfs/dbraw/zinc/28/26/85/341282685.db2.gz VTUVNZUUYADRAG-UHFFFAOYSA-N 2 2 303.353 3.612 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549840565 341304578 /nfs/dbraw/zinc/30/45/78/341304578.db2.gz KGZMRYWIXQTDGT-CXAGYDPISA-N 2 2 310.844 3.958 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549840565 341304579 /nfs/dbraw/zinc/30/45/79/341304579.db2.gz KGZMRYWIXQTDGT-CXAGYDPISA-N 2 2 310.844 3.958 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549840565 341304580 /nfs/dbraw/zinc/30/45/80/341304580.db2.gz KGZMRYWIXQTDGT-CXAGYDPISA-N 2 2 310.844 3.958 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000549840565 341304581 /nfs/dbraw/zinc/30/45/81/341304581.db2.gz KGZMRYWIXQTDGT-CXAGYDPISA-N 2 2 310.844 3.958 20 0 DHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3c(Cl)cccc3Cl)C2)C1 ZINC000549840372 341304685 /nfs/dbraw/zinc/30/46/85/341304685.db2.gz ICRKSOFCEKZSRB-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c(Cl)cccc3Cl)C2)C1 ZINC000549840372 341304686 /nfs/dbraw/zinc/30/46/86/341304686.db2.gz ICRKSOFCEKZSRB-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c(Cl)cccc3Cl)C2)C1 ZINC000549840372 341304687 /nfs/dbraw/zinc/30/46/87/341304687.db2.gz ICRKSOFCEKZSRB-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c(Cl)cccc3Cl)C2)C1 ZINC000549840372 341304688 /nfs/dbraw/zinc/30/46/88/341304688.db2.gz ICRKSOFCEKZSRB-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549840568 341304747 /nfs/dbraw/zinc/30/47/47/341304747.db2.gz KGZMRYWIXQTDGT-SUMWQHHRSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549840568 341304748 /nfs/dbraw/zinc/30/47/48/341304748.db2.gz KGZMRYWIXQTDGT-SUMWQHHRSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549840568 341304749 /nfs/dbraw/zinc/30/47/49/341304749.db2.gz KGZMRYWIXQTDGT-SUMWQHHRSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000549840568 341304750 /nfs/dbraw/zinc/30/47/50/341304750.db2.gz KGZMRYWIXQTDGT-SUMWQHHRSA-N 2 2 310.844 3.958 20 0 DHADLP CC(C)c1[nH+]c(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)c2ccccn21 ZINC000550957271 341327825 /nfs/dbraw/zinc/32/78/25/341327825.db2.gz MKBHDRNLBZSCIB-QGZVFWFLSA-N 2 2 323.444 3.908 20 0 DHADLP CC[NH+](CC)CCC[NH2+]Cc1ccccc1OC1CCCC1 ZINC000551174262 341333045 /nfs/dbraw/zinc/33/30/45/341333045.db2.gz OZTJMPOVKMOBRT-UHFFFAOYSA-N 2 2 304.478 3.830 20 0 DHADLP Cc1nc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)sc1C ZINC000246232324 341336297 /nfs/dbraw/zinc/33/62/97/341336297.db2.gz MTGYQSANMKEJLX-RHSMWYFYSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)sc1C ZINC000246232324 341336298 /nfs/dbraw/zinc/33/62/98/341336298.db2.gz MTGYQSANMKEJLX-RHSMWYFYSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)sc1C ZINC000246232324 341336299 /nfs/dbraw/zinc/33/62/99/341336299.db2.gz MTGYQSANMKEJLX-RHSMWYFYSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)sc1C ZINC000246232324 341336300 /nfs/dbraw/zinc/33/63/00/341336300.db2.gz MTGYQSANMKEJLX-RHSMWYFYSA-N 2 2 321.534 3.846 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000551534184 341344531 /nfs/dbraw/zinc/34/45/31/341344531.db2.gz UBWYGNLJGQINSK-OFDAHSHWSA-N 2 2 316.489 3.506 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000551534184 341344532 /nfs/dbraw/zinc/34/45/32/341344532.db2.gz UBWYGNLJGQINSK-OFDAHSHWSA-N 2 2 316.489 3.506 20 0 DHADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc2c(s1)CCC2 ZINC000551572461 341346098 /nfs/dbraw/zinc/34/60/98/341346098.db2.gz UHJRMUHOVADUEV-LBPRGKRZSA-N 2 2 301.459 3.620 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000551787509 341351463 /nfs/dbraw/zinc/35/14/63/341351463.db2.gz HWEUYUHQXGJTNY-DOTOQJQBSA-N 2 2 302.462 3.753 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000551787509 341351464 /nfs/dbraw/zinc/35/14/64/341351464.db2.gz HWEUYUHQXGJTNY-DOTOQJQBSA-N 2 2 302.462 3.753 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000551792029 341351910 /nfs/dbraw/zinc/35/19/10/341351910.db2.gz YXQGPQJAWDLQEX-LNKGRISISA-N 2 2 316.489 3.651 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000551792029 341351911 /nfs/dbraw/zinc/35/19/11/341351911.db2.gz YXQGPQJAWDLQEX-LNKGRISISA-N 2 2 316.489 3.651 20 0 DHADLP COc1ccc([C@H](C[NH+](C)C)[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000551833211 341353339 /nfs/dbraw/zinc/35/33/39/341353339.db2.gz LMGZBKKKJGCMMD-JXFKEZNVSA-N 2 2 312.457 3.691 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000246693198 341355788 /nfs/dbraw/zinc/35/57/88/341355788.db2.gz YYFICKALNRSHFP-YOEHRIQHSA-N 2 2 315.486 3.630 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000246693198 341355789 /nfs/dbraw/zinc/35/57/89/341355789.db2.gz YYFICKALNRSHFP-YOEHRIQHSA-N 2 2 315.486 3.630 20 0 DHADLP Cc1ccc(C)c([C@@H]2C[N@H+](CC[C@H]3CCC[NH+]3C)[C@H](C)CO2)c1 ZINC000248059676 341372938 /nfs/dbraw/zinc/37/29/38/341372938.db2.gz OXFRHPROYSIJMQ-GGPKGHCWSA-N 2 2 316.489 3.550 20 0 DHADLP Cc1ccc(C)c([C@@H]2C[N@@H+](CC[C@H]3CCC[NH+]3C)[C@H](C)CO2)c1 ZINC000248059676 341372939 /nfs/dbraw/zinc/37/29/39/341372939.db2.gz OXFRHPROYSIJMQ-GGPKGHCWSA-N 2 2 316.489 3.550 20 0 DHADLP Cc1ccc(C)c([C@@H]2C[NH+](CC[C@H]3CCC[N@@H+]3C)[C@H](C)CO2)c1 ZINC000248059676 341372940 /nfs/dbraw/zinc/37/29/40/341372940.db2.gz OXFRHPROYSIJMQ-GGPKGHCWSA-N 2 2 316.489 3.550 20 0 DHADLP Cc1ccc(C)c([C@@H]2C[NH+](CC[C@H]3CCC[N@H+]3C)[C@H](C)CO2)c1 ZINC000248059676 341372941 /nfs/dbraw/zinc/37/29/41/341372941.db2.gz OXFRHPROYSIJMQ-GGPKGHCWSA-N 2 2 316.489 3.550 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+][C@H](C)COCC)c1ccc(Cl)cc1 ZINC000552322498 341386498 /nfs/dbraw/zinc/38/64/98/341386498.db2.gz PHGCPIOOFPAPFL-RHSMWYFYSA-N 2 2 312.885 3.738 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H](C)COCC)c1ccc(Cl)cc1 ZINC000552322498 341386499 /nfs/dbraw/zinc/38/64/99/341386499.db2.gz PHGCPIOOFPAPFL-RHSMWYFYSA-N 2 2 312.885 3.738 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000564391357 341391070 /nfs/dbraw/zinc/39/10/70/341391070.db2.gz ZDKDXAINDFHAIE-CABCVRRESA-N 2 2 319.493 3.715 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000564391357 341391071 /nfs/dbraw/zinc/39/10/71/341391071.db2.gz ZDKDXAINDFHAIE-CABCVRRESA-N 2 2 319.493 3.715 20 0 DHADLP CC[NH+](CC)[C@@H](CN[C@H](C)c1cn2ccccc2[nH+]1)CC(C)C ZINC000556237996 341498580 /nfs/dbraw/zinc/49/85/80/341498580.db2.gz HYQXENQRNLIWIT-IAGOWNOFSA-N 2 2 316.493 3.741 20 0 DHADLP CC(C)c1[nH+]ccn1Cc1cncc(Cn2cc[nH+]c2C(C)C)c1 ZINC000573318517 341724733 /nfs/dbraw/zinc/72/47/33/341724733.db2.gz VVEKZWDKONEARY-UHFFFAOYSA-N 2 2 323.444 3.818 20 0 DHADLP C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000573934026 341743709 /nfs/dbraw/zinc/74/37/09/341743709.db2.gz OMBPDDAOCSOTPI-MGPUTAFESA-N 2 2 307.441 3.949 20 0 DHADLP CO[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000178458585 341954917 /nfs/dbraw/zinc/95/49/17/341954917.db2.gz NIJAVLSPZRYYIJ-UZLBHIALSA-N 2 2 321.424 3.911 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCn1cc[nH+]c1 ZINC000337343446 518416625 /nfs/dbraw/zinc/41/66/25/518416625.db2.gz SJBHXABTXOZGJK-RAXLEYEMSA-N 2 2 309.335 3.595 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCn1cc[nH+]c1 ZINC000337343445 518446909 /nfs/dbraw/zinc/44/69/09/518446909.db2.gz SJBHXABTXOZGJK-JLHYYAGUSA-N 2 2 309.335 3.595 20 0 DHADLP CC(C)(C)c1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000266725333 519097126 /nfs/dbraw/zinc/09/71/26/519097126.db2.gz IKEZVTRUNJEMKP-UHFFFAOYSA-N 2 2 304.463 3.543 20 0 DHADLP CC(C)n1cc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000156223753 519972528 /nfs/dbraw/zinc/97/25/28/519972528.db2.gz HQMIQIQRNMTSNO-CQSZACIVSA-N 2 2 311.433 3.624 20 0 DHADLP CC[NH+](CC)CCC[N@H+](C)Cc1cc(Br)cs1 ZINC000338253353 520593995 /nfs/dbraw/zinc/59/39/95/520593995.db2.gz JCNYRIGUNRCFBC-UHFFFAOYSA-N 2 2 319.312 3.674 20 0 DHADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cc(Br)cs1 ZINC000338253353 520594001 /nfs/dbraw/zinc/59/40/01/520594001.db2.gz JCNYRIGUNRCFBC-UHFFFAOYSA-N 2 2 319.312 3.674 20 0 DHADLP CCC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccsc1 ZINC000191199383 520783063 /nfs/dbraw/zinc/78/30/63/520783063.db2.gz HUUGRYOZXOCYMN-MRXNPFEDSA-N 2 2 312.442 3.960 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cc3ccccc3s2)s1 ZINC000339415532 521938245 /nfs/dbraw/zinc/93/82/45/521938245.db2.gz IMIOAYPVDPJJQN-UHFFFAOYSA-N 2 2 317.483 3.709 20 0 DHADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337216780 522727855 /nfs/dbraw/zinc/72/78/55/522727855.db2.gz ZPLFXQVBFKGSBP-QZTJIDSGSA-N 2 2 303.494 3.833 20 0 DHADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337216780 522727863 /nfs/dbraw/zinc/72/78/63/522727863.db2.gz ZPLFXQVBFKGSBP-QZTJIDSGSA-N 2 2 303.494 3.833 20 0 DHADLP C[NH+](CCCC(C)(C)C)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000337216780 522727868 /nfs/dbraw/zinc/72/78/68/522727868.db2.gz ZPLFXQVBFKGSBP-QZTJIDSGSA-N 2 2 303.494 3.833 20 0 DHADLP C[NH+](CCCC(C)(C)C)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000337216780 522727872 /nfs/dbraw/zinc/72/78/72/522727872.db2.gz ZPLFXQVBFKGSBP-QZTJIDSGSA-N 2 2 303.494 3.833 20 0 DHADLP CCc1noc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336871725 522836397 /nfs/dbraw/zinc/83/63/97/522836397.db2.gz NFSSJLYRZHJVAS-WBVHZDCISA-N 2 2 319.493 3.632 20 0 DHADLP CCc1noc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336871725 522836411 /nfs/dbraw/zinc/83/64/11/522836411.db2.gz NFSSJLYRZHJVAS-WBVHZDCISA-N 2 2 319.493 3.632 20 0 DHADLP CCc1noc(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336871725 522836420 /nfs/dbraw/zinc/83/64/20/522836420.db2.gz NFSSJLYRZHJVAS-WBVHZDCISA-N 2 2 319.493 3.632 20 0 DHADLP CCc1noc(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336871725 522836430 /nfs/dbraw/zinc/83/64/30/522836430.db2.gz NFSSJLYRZHJVAS-WBVHZDCISA-N 2 2 319.493 3.632 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1F ZINC000180177145 522872768 /nfs/dbraw/zinc/87/27/68/522872768.db2.gz JWXVEYQWCNOBHF-GOSISDBHSA-N 2 2 324.403 3.956 20 0 DHADLP CCc1cc(N2CCC(n3cc[nH+]c3)CC2)c2ccccc2[nH+]1 ZINC000124358429 523793341 /nfs/dbraw/zinc/79/33/41/523793341.db2.gz MPZWCDQWUQJGHE-UHFFFAOYSA-N 2 2 306.413 3.835 20 0 DHADLP CCc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)o1 ZINC000131123669 523940976 /nfs/dbraw/zinc/94/09/76/523940976.db2.gz FDTLDHOVSYIYEW-OAHLLOKOSA-N 2 2 313.445 3.552 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156560845 524510546 /nfs/dbraw/zinc/51/05/46/524510546.db2.gz MMKCVIRUPSHXGY-WBMJQRKESA-N 2 2 307.800 3.759 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156560845 524510551 /nfs/dbraw/zinc/51/05/51/524510551.db2.gz MMKCVIRUPSHXGY-WBMJQRKESA-N 2 2 307.800 3.759 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)o1 ZINC000265168719 524960089 /nfs/dbraw/zinc/96/00/89/524960089.db2.gz IHAWCMWCUFONRN-AWEZNQCLSA-N 2 2 313.376 3.769 20 0 DHADLP Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c2cccc(F)c2[nH+]1 ZINC000369312663 525065496 /nfs/dbraw/zinc/06/54/96/525065496.db2.gz QZLKHNNQZVFHOV-CQSZACIVSA-N 2 2 301.409 3.603 20 0 DHADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(SCC(F)F)cc1 ZINC000155640242 525375477 /nfs/dbraw/zinc/37/54/77/525375477.db2.gz UIIJTJXZBKKCKQ-LBPRGKRZSA-N 2 2 311.401 3.591 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(SCC(F)F)cc1 ZINC000154519000 525387675 /nfs/dbraw/zinc/38/76/75/525387675.db2.gz OHVKKNPOMKCRJA-JSGCOSHPSA-N 2 2 314.445 3.789 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(SCC(F)F)cc1 ZINC000154519000 525387684 /nfs/dbraw/zinc/38/76/84/525387684.db2.gz OHVKKNPOMKCRJA-JSGCOSHPSA-N 2 2 314.445 3.789 20 0 DHADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1cncs1 ZINC000156205938 525457768 /nfs/dbraw/zinc/45/77/68/525457768.db2.gz FSNLRYSMRPRYNG-LSDHHAIUSA-N 2 2 303.475 3.704 20 0 DHADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cncs1 ZINC000156205938 525457774 /nfs/dbraw/zinc/45/77/74/525457774.db2.gz FSNLRYSMRPRYNG-LSDHHAIUSA-N 2 2 303.475 3.704 20 0 DHADLP Cc1cccnc1C(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353156240 525492394 /nfs/dbraw/zinc/49/23/94/525492394.db2.gz RKELXPKHYIDIIB-UHFFFAOYSA-N 2 2 320.440 3.643 20 0 DHADLP Cc1ccc(-c2cc(C[N@H+](C)CCC[NH+]3CCCC3)on2)cc1 ZINC000337278129 525731278 /nfs/dbraw/zinc/73/12/78/525731278.db2.gz SIIFBZMRIXAVBL-UHFFFAOYSA-N 2 2 313.445 3.568 20 0 DHADLP Cc1ccc(-c2cc(C[N@@H+](C)CCC[NH+]3CCCC3)on2)cc1 ZINC000337278129 525731287 /nfs/dbraw/zinc/73/12/87/525731287.db2.gz SIIFBZMRIXAVBL-UHFFFAOYSA-N 2 2 313.445 3.568 20 0 DHADLP CSCc1cnc(C[NH2+]CCC[NH+](C(C)C)C(C)C)s1 ZINC000339291056 525749689 /nfs/dbraw/zinc/74/96/89/525749689.db2.gz UCNSMHSDGKADKV-UHFFFAOYSA-N 2 2 315.552 3.605 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000158182361 525944965 /nfs/dbraw/zinc/94/49/65/525944965.db2.gz FYYBSVJWWLMYIS-ZVZYQTTQSA-N 2 2 313.445 3.544 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000158182361 525944973 /nfs/dbraw/zinc/94/49/73/525944973.db2.gz FYYBSVJWWLMYIS-ZVZYQTTQSA-N 2 2 313.445 3.544 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)COC(C)C)c(C)c1 ZINC000337257175 525961814 /nfs/dbraw/zinc/96/18/14/525961814.db2.gz NUATZRYDGNFNHN-HKUYNNGSSA-N 2 2 315.461 3.644 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)COC(C)C)c(C)c1 ZINC000337257177 525961995 /nfs/dbraw/zinc/96/19/95/525961995.db2.gz NUATZRYDGNFNHN-MJGOQNOKSA-N 2 2 315.461 3.644 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(F)nc2)CC1 ZINC000189113938 526097438 /nfs/dbraw/zinc/09/74/38/526097438.db2.gz JBJCLTARZAIWHV-OAHLLOKOSA-N 2 2 313.420 3.536 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000156402485 526335304 /nfs/dbraw/zinc/33/53/04/526335304.db2.gz GFENLCOGYSIICM-OAHLLOKOSA-N 2 2 306.768 3.527 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000156402485 526335312 /nfs/dbraw/zinc/33/53/12/526335312.db2.gz GFENLCOGYSIICM-OAHLLOKOSA-N 2 2 306.768 3.527 20 0 DHADLP c1ccc2c(c1)OC1(CCCCC1)C[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000338205692 526510188 /nfs/dbraw/zinc/51/01/88/526510188.db2.gz IVAWIDZDMDKBAW-SFHVURJKSA-N 2 2 314.473 3.899 20 0 DHADLP c1cn(CC[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)c[nH+]1 ZINC000129603793 526532392 /nfs/dbraw/zinc/53/23/92/526532392.db2.gz RGCDNLXISWDFPC-KRWDZBQOSA-N 2 2 311.429 3.699 20 0 DHADLP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152153083 526532799 /nfs/dbraw/zinc/53/27/99/526532799.db2.gz NYQTUWBRNHQBNL-ZIAGYGMSSA-N 2 2 324.428 3.759 20 0 DHADLP c1cncc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC34CCCC4)C2)c1 ZINC000365064448 526545654 /nfs/dbraw/zinc/54/56/54/526545654.db2.gz CPMRFJLEBWNRSW-RTBURBONSA-N 2 2 313.489 3.606 20 0 DHADLP c1cncc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC34CCCC4)C2)c1 ZINC000365064448 526545662 /nfs/dbraw/zinc/54/56/62/526545662.db2.gz CPMRFJLEBWNRSW-RTBURBONSA-N 2 2 313.489 3.606 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)c1 ZINC000337299748 526548788 /nfs/dbraw/zinc/54/87/88/526548788.db2.gz PGVBKQRLQPMNIF-IMFGXOCKSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)c1 ZINC000337299748 526548790 /nfs/dbraw/zinc/54/87/90/526548790.db2.gz PGVBKQRLQPMNIF-IMFGXOCKSA-N 2 2 313.489 3.714 20 0 DHADLP c1coc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cs2)c1 ZINC000267386633 526562261 /nfs/dbraw/zinc/56/22/61/526562261.db2.gz BVJCQUUNTIULDC-LBPRGKRZSA-N 2 2 314.414 3.506 20 0 DHADLP c1coc(-c2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cs2)c1 ZINC000267386633 526562265 /nfs/dbraw/zinc/56/22/65/526562265.db2.gz BVJCQUUNTIULDC-LBPRGKRZSA-N 2 2 314.414 3.506 20 0 DHADLP c1csc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)co2)c1 ZINC000266695617 526574322 /nfs/dbraw/zinc/57/43/22/526574322.db2.gz BLQFYCVDLACENL-UHFFFAOYSA-N 2 2 314.414 3.506 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000040592096 536465580 /nfs/dbraw/zinc/46/55/80/536465580.db2.gz WIARFMQZKJOJBD-VXGBXAGGSA-N 2 2 301.261 3.986 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000040592096 536465582 /nfs/dbraw/zinc/46/55/82/536465582.db2.gz WIARFMQZKJOJBD-VXGBXAGGSA-N 2 2 301.261 3.986 20 0 DHADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCSC(C)C ZINC000338285864 527172165 /nfs/dbraw/zinc/17/21/65/527172165.db2.gz LUMGNORVBDIGCF-INIZCTEOSA-N 2 2 317.502 3.951 20 0 DHADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCSC(C)C ZINC000338285864 527172167 /nfs/dbraw/zinc/17/21/67/527172167.db2.gz LUMGNORVBDIGCF-INIZCTEOSA-N 2 2 317.502 3.951 20 0 DHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cc(C)on2)c1 ZINC000284018961 535609126 /nfs/dbraw/zinc/60/91/26/535609126.db2.gz IRZSDPSZZWMXJN-HNNXBMFYSA-N 2 2 301.434 3.676 20 0 DHADLP C[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000283794096 536344797 /nfs/dbraw/zinc/34/47/97/536344797.db2.gz APQUJSBQLRNBPN-UHFFFAOYSA-N 2 2 321.877 3.647 20 0 DHADLP Cc1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)cc(C(C)C)[nH+]1 ZINC001165047515 721966013 /nfs/dbraw/zinc/96/60/13/721966013.db2.gz USBBJOKQPBCFJD-QGZVFWFLSA-N 2 2 316.493 3.753 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000180156157 1013055085 /nfs/dbraw/zinc/05/50/85/1013055085.db2.gz BTEGQKYHGPZFQA-UHFFFAOYSA-N 2 2 304.400 3.883 20 0 DHADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000293263942 1013089214 /nfs/dbraw/zinc/08/92/14/1013089214.db2.gz XQEMIFRTQDGZCR-UHFFFAOYSA-N 2 2 303.494 3.818 20 0 DHADLP Cc1nc(C(C)C)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000293263942 1013089229 /nfs/dbraw/zinc/08/92/29/1013089229.db2.gz XQEMIFRTQDGZCR-UHFFFAOYSA-N 2 2 303.494 3.818 20 0 DHADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000294889981 1013154491 /nfs/dbraw/zinc/15/44/91/1013154491.db2.gz YIXHLSSUQBNKEJ-RBUKOAKNSA-N 2 2 314.473 3.515 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CCC1CCOCC1)c1ccccc1 ZINC000638601127 1013199682 /nfs/dbraw/zinc/19/96/82/1013199682.db2.gz KGJANTQZWWFCTP-INIZCTEOSA-N 2 2 304.478 3.522 20 0 DHADLP C[C@@H]1CC(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC001209397946 1013215826 /nfs/dbraw/zinc/21/58/26/1013215826.db2.gz LZESLYPBLLOJLG-HZPDHXFCSA-N 2 2 313.445 3.508 20 0 DHADLP C[C@@H]1CC(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC001209397946 1013215836 /nfs/dbraw/zinc/21/58/36/1013215836.db2.gz LZESLYPBLLOJLG-HZPDHXFCSA-N 2 2 313.445 3.508 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)sn1 ZINC000638671447 1013290460 /nfs/dbraw/zinc/29/04/60/1013290460.db2.gz QJMHNDCGVRGFPI-BBRMVZONSA-N 2 2 321.515 3.686 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)sn1 ZINC000638671447 1013290466 /nfs/dbraw/zinc/29/04/66/1013290466.db2.gz QJMHNDCGVRGFPI-BBRMVZONSA-N 2 2 321.515 3.686 20 0 DHADLP Fc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167971532 1013394695 /nfs/dbraw/zinc/39/46/95/1013394695.db2.gz XKCTZVGVAHARHG-ALOPSCKCSA-N 2 2 314.448 3.810 20 0 DHADLP Fc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167971532 1013394705 /nfs/dbraw/zinc/39/47/05/1013394705.db2.gz XKCTZVGVAHARHG-ALOPSCKCSA-N 2 2 314.448 3.810 20 0 DHADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1OC(F)(F)F ZINC000340373616 1013525575 /nfs/dbraw/zinc/52/55/75/1013525575.db2.gz VJHZLNWOEMWBCW-CQSZACIVSA-N 2 2 316.367 3.501 20 0 DHADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1OC(F)(F)F ZINC000340373616 1013525582 /nfs/dbraw/zinc/52/55/82/1013525582.db2.gz VJHZLNWOEMWBCW-CQSZACIVSA-N 2 2 316.367 3.501 20 0 DHADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1OC(F)(F)F ZINC000340373616 1013525590 /nfs/dbraw/zinc/52/55/90/1013525590.db2.gz VJHZLNWOEMWBCW-CQSZACIVSA-N 2 2 316.367 3.501 20 0 DHADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1OC(F)(F)F ZINC000340373616 1013525600 /nfs/dbraw/zinc/52/56/00/1013525600.db2.gz VJHZLNWOEMWBCW-CQSZACIVSA-N 2 2 316.367 3.501 20 0 DHADLP C[NH+](C)c1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237148035 1013550700 /nfs/dbraw/zinc/55/07/00/1013550700.db2.gz IZTWYNVJNYEDBK-LJQANCHMSA-N 2 2 309.457 3.829 20 0 DHADLP C[NH+](C)c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237148035 1013550708 /nfs/dbraw/zinc/55/07/08/1013550708.db2.gz IZTWYNVJNYEDBK-LJQANCHMSA-N 2 2 309.457 3.829 20 0 DHADLP CC[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(F)cn1 ZINC000317230640 1013567432 /nfs/dbraw/zinc/56/74/32/1013567432.db2.gz HGZHPFJORRKCMP-KRWDZBQOSA-N 2 2 307.457 3.916 20 0 DHADLP CC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(F)cn1 ZINC000317230640 1013567441 /nfs/dbraw/zinc/56/74/41/1013567441.db2.gz HGZHPFJORRKCMP-KRWDZBQOSA-N 2 2 307.457 3.916 20 0 DHADLP CC(C)c1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655681083 1013635619 /nfs/dbraw/zinc/63/56/19/1013635619.db2.gz ZLHAZZAWDGFWGU-OXJNMPFZSA-N 2 2 316.489 3.714 20 0 DHADLP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655683889 1013642756 /nfs/dbraw/zinc/64/27/56/1013642756.db2.gz XBIOHGNOBCRPOI-UXHICEINSA-N 2 2 316.489 3.617 20 0 DHADLP c1cn(-c2ccc(C[NH2+]Cc3ccc4ccccc4n3)cc2)c[nH+]1 ZINC000340408734 1013669887 /nfs/dbraw/zinc/66/98/87/1013669887.db2.gz MQIOSOMMFZNQJW-UHFFFAOYSA-N 2 2 314.392 3.710 20 0 DHADLP CCC1(CC)CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655759929 1013691737 /nfs/dbraw/zinc/69/17/37/1013691737.db2.gz IJADYVMYGZKEQP-GOSISDBHSA-N 2 2 308.510 3.578 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1F ZINC000655783340 1013709775 /nfs/dbraw/zinc/70/97/75/1013709775.db2.gz CYNFDBWGOVFZNF-VQIMIIECSA-N 2 2 320.452 3.510 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1F ZINC000655789985 1013715219 /nfs/dbraw/zinc/71/52/19/1013715219.db2.gz CYNFDBWGOVFZNF-LPHOPBHVSA-N 2 2 320.452 3.510 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)cc1 ZINC000655848158 1013773862 /nfs/dbraw/zinc/77/38/62/1013773862.db2.gz GFFUXQXZUCONQI-XKQJLSEDSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)cc1 ZINC000655848158 1013773865 /nfs/dbraw/zinc/77/38/65/1013773865.db2.gz GFFUXQXZUCONQI-XKQJLSEDSA-N 2 2 324.415 3.956 20 0 DHADLP Fc1cccc2c1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167995400 1013782730 /nfs/dbraw/zinc/78/27/30/1013782730.db2.gz DOEDZWUPWHURAQ-SJPCQFCGSA-N 2 2 300.421 3.547 20 0 DHADLP Fc1cccc2c1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167995400 1013782734 /nfs/dbraw/zinc/78/27/34/1013782734.db2.gz DOEDZWUPWHURAQ-SJPCQFCGSA-N 2 2 300.421 3.547 20 0 DHADLP Fc1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167995400 1013782735 /nfs/dbraw/zinc/78/27/35/1013782735.db2.gz DOEDZWUPWHURAQ-SJPCQFCGSA-N 2 2 300.421 3.547 20 0 DHADLP Fc1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167995400 1013782739 /nfs/dbraw/zinc/78/27/39/1013782739.db2.gz DOEDZWUPWHURAQ-SJPCQFCGSA-N 2 2 300.421 3.547 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000655850064 1013777336 /nfs/dbraw/zinc/77/73/36/1013777336.db2.gz CVSDAZUWUMBHSP-FIDHJVLJSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000655850064 1013777342 /nfs/dbraw/zinc/77/73/42/1013777342.db2.gz CVSDAZUWUMBHSP-FIDHJVLJSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000655850067 1013777688 /nfs/dbraw/zinc/77/76/88/1013777688.db2.gz CVSDAZUWUMBHSP-ZOFXXKQRSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1c1cccs1 ZINC000655850067 1013777694 /nfs/dbraw/zinc/77/76/94/1013777694.db2.gz CVSDAZUWUMBHSP-ZOFXXKQRSA-N 2 2 304.503 3.847 20 0 DHADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1C(C)(C)C ZINC000655848812 1013778810 /nfs/dbraw/zinc/77/88/10/1013778810.db2.gz LFVDPTAMCMLEJK-BMGDILEWSA-N 2 2 318.509 3.614 20 0 DHADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cnn1C(C)(C)C ZINC000655848812 1013778815 /nfs/dbraw/zinc/77/88/15/1013778815.db2.gz LFVDPTAMCMLEJK-BMGDILEWSA-N 2 2 318.509 3.614 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1CC(F)(F)F ZINC000639175823 1013813153 /nfs/dbraw/zinc/81/31/53/1013813153.db2.gz ULRGXZXBVNLITH-UHFFFAOYSA-N 2 2 311.351 3.510 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1CC(F)(F)F ZINC000639175823 1013813165 /nfs/dbraw/zinc/81/31/65/1013813165.db2.gz ULRGXZXBVNLITH-UHFFFAOYSA-N 2 2 311.351 3.510 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]Cc2cc3ccccc3[nH]2)c[nH+]1 ZINC000683927632 1014117451 /nfs/dbraw/zinc/11/74/51/1014117451.db2.gz ZDBDGQKIGZOAHT-UHFFFAOYSA-N 2 2 302.381 3.643 20 0 DHADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000580431850 1014131041 /nfs/dbraw/zinc/13/10/41/1014131041.db2.gz MLLRGKGDRFUFBU-CYBMUJFWSA-N 2 2 321.465 3.988 20 0 DHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1Br ZINC000045094608 1032086250 /nfs/dbraw/zinc/08/62/50/1032086250.db2.gz DMPJVZQAUZMDMK-ZDUSSCGKSA-N 2 2 322.250 3.777 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(C)o1 ZINC000580813796 1014370321 /nfs/dbraw/zinc/37/03/21/1014370321.db2.gz DPKLJKACASRAOO-MRXNPFEDSA-N 2 2 312.457 3.995 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(C)o1 ZINC000580813796 1014370336 /nfs/dbraw/zinc/37/03/36/1014370336.db2.gz DPKLJKACASRAOO-MRXNPFEDSA-N 2 2 312.457 3.995 20 0 DHADLP c1ccc2cc(C[NH+]3CCC([N@@H+]4CCCOCC4)CC3)ccc2c1 ZINC000931288822 1032091048 /nfs/dbraw/zinc/09/10/48/1032091048.db2.gz VFDVVTUPCTVVES-UHFFFAOYSA-N 2 2 324.468 3.527 20 0 DHADLP c1ccc2cc(C[NH+]3CCC([N@H+]4CCCOCC4)CC3)ccc2c1 ZINC000931288822 1032091068 /nfs/dbraw/zinc/09/10/68/1032091068.db2.gz VFDVVTUPCTVVES-UHFFFAOYSA-N 2 2 324.468 3.527 20 0 DHADLP C[C@@H](CCc1ccco1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110512 1014435415 /nfs/dbraw/zinc/43/54/15/1014435415.db2.gz ODGZNGVBVONGLC-ULQDDVLXSA-N 2 2 313.445 3.772 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CCC(C(F)F)CC2)CC1 ZINC000895112648 1014445504 /nfs/dbraw/zinc/44/55/04/1014445504.db2.gz QLZMLKQHGHHNQS-DHAXNPMCSA-N 2 2 323.431 3.982 20 0 DHADLP Cc1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC001168010486 1014529742 /nfs/dbraw/zinc/52/97/42/1014529742.db2.gz JSGWMYAVWNIJLB-QZTJIDSGSA-N 2 2 323.484 3.921 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc12 ZINC000427849785 1014534478 /nfs/dbraw/zinc/53/44/78/1014534478.db2.gz GMTZFMDJYAXVEL-CABCVRRESA-N 2 2 321.424 3.711 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427852149 1014537690 /nfs/dbraw/zinc/53/76/90/1014537690.db2.gz DYFYWRJPXSIYJO-IXDOHACOSA-N 2 2 315.848 3.777 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000665256687 1014582480 /nfs/dbraw/zinc/58/24/80/1014582480.db2.gz JJJOKXCIKGHWTP-APHBMKBZSA-N 2 2 304.434 3.684 20 0 DHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276709 1014649489 /nfs/dbraw/zinc/64/94/89/1014649489.db2.gz KTGPSEKDTZBZFL-IZINQKCZSA-N 2 2 322.452 3.765 20 0 DHADLP Clc1ncc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000895154471 1014650688 /nfs/dbraw/zinc/65/06/88/1014650688.db2.gz ZZBRSWKKFUDWGW-UHFFFAOYSA-N 2 2 313.898 3.683 20 0 DHADLP CC(C)CCOc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276907 1014647077 /nfs/dbraw/zinc/64/70/77/1014647077.db2.gz OUFIWFLCWJWDDF-LYGPFTKASA-N 2 2 302.462 3.514 20 0 DHADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442781735 1014729935 /nfs/dbraw/zinc/72/99/35/1014729935.db2.gz PWGGKQSLXHCUAX-GOEBONIOSA-N 2 2 314.395 3.883 20 0 DHADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442781735 1014729943 /nfs/dbraw/zinc/72/99/43/1014729943.db2.gz PWGGKQSLXHCUAX-GOEBONIOSA-N 2 2 314.395 3.883 20 0 DHADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000665293996 1014729985 /nfs/dbraw/zinc/72/99/85/1014729985.db2.gz GMAMXNBXRCLEIK-LSDHHAIUSA-N 2 2 316.420 3.663 20 0 DHADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000665296789 1014747619 /nfs/dbraw/zinc/74/76/19/1014747619.db2.gz XTPDVYQBKSPQKS-MNOVXSKESA-N 2 2 306.397 3.600 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C ZINC000090720734 1014764237 /nfs/dbraw/zinc/76/42/37/1014764237.db2.gz KXIPUESSAHIOJX-MFKMUULPSA-N 2 2 318.795 3.514 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[N@H+]1C ZINC000090720734 1014764245 /nfs/dbraw/zinc/76/42/45/1014764245.db2.gz KXIPUESSAHIOJX-MFKMUULPSA-N 2 2 318.795 3.514 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000123926958 1014782818 /nfs/dbraw/zinc/78/28/18/1014782818.db2.gz CKDBSJKFLGQCRT-XLIONFOSSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000123926958 1014782823 /nfs/dbraw/zinc/78/28/23/1014782823.db2.gz CKDBSJKFLGQCRT-XLIONFOSSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)s1 ZINC000443211070 1014841756 /nfs/dbraw/zinc/84/17/56/1014841756.db2.gz KMTISWSZHLCGOY-MXWKQRLJSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)s1 ZINC000443211070 1014841761 /nfs/dbraw/zinc/84/17/61/1014841761.db2.gz KMTISWSZHLCGOY-MXWKQRLJSA-N 2 2 317.296 3.644 20 0 DHADLP CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000276244377 1014892856 /nfs/dbraw/zinc/89/28/56/1014892856.db2.gz VBQMJHJNDVXULQ-UHFFFAOYSA-N 2 2 311.351 3.513 20 0 DHADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(Cl)cccc1SC ZINC001279494506 1014910578 /nfs/dbraw/zinc/91/05/78/1014910578.db2.gz ILDXNNWGZUBHCP-YHWZYXNKSA-N 2 2 310.894 3.777 20 0 DHADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)cccc1SC ZINC001279494506 1014910587 /nfs/dbraw/zinc/91/05/87/1014910587.db2.gz ILDXNNWGZUBHCP-YHWZYXNKSA-N 2 2 310.894 3.777 20 0 DHADLP Cc1cc(F)cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001143590554 1014933075 /nfs/dbraw/zinc/93/30/75/1014933075.db2.gz YNULYYDVTAEXFE-PMACEKPBSA-N 2 2 324.443 3.698 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]C/C(C)=C/c2ccccc2)CC1 ZINC000341278590 1015127995 /nfs/dbraw/zinc/12/79/95/1015127995.db2.gz FSDGRZKXZWWVAD-SAPNQHFASA-N 2 2 316.489 3.569 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000341480544 1015424642 /nfs/dbraw/zinc/42/46/42/1015424642.db2.gz MSQFALLIQSYCHP-GFCCVEGCSA-N 2 2 315.804 3.950 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000090251135 1015434717 /nfs/dbraw/zinc/43/47/17/1015434717.db2.gz GFOSGHVAKHAWHO-SNVBAGLBSA-N 2 2 319.674 3.532 20 0 DHADLP Cc1cnccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294688851 1032117029 /nfs/dbraw/zinc/11/70/29/1032117029.db2.gz DOBLVCBFURJCAR-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cnccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294688851 1032117035 /nfs/dbraw/zinc/11/70/35/1032117035.db2.gz DOBLVCBFURJCAR-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cnccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000294688851 1032117042 /nfs/dbraw/zinc/11/70/42/1032117042.db2.gz DOBLVCBFURJCAR-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cnccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000294688851 1032117048 /nfs/dbraw/zinc/11/70/48/1032117048.db2.gz DOBLVCBFURJCAR-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)[N@H+](C)C1CC1 ZINC000474706349 1015554973 /nfs/dbraw/zinc/55/49/73/1015554973.db2.gz AOFXVTZNFWTPFN-MHDGFBEUSA-N 2 2 312.910 3.966 20 0 DHADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)[N@@H+](C)C1CC1 ZINC000474706349 1015554978 /nfs/dbraw/zinc/55/49/78/1015554978.db2.gz AOFXVTZNFWTPFN-MHDGFBEUSA-N 2 2 312.910 3.966 20 0 DHADLP C[C@@H]1CC([N@@H+]2Cc3cccnc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041996 1015620020 /nfs/dbraw/zinc/62/00/20/1015620020.db2.gz XLUSRNUJVNSWAD-IAGOWNOFSA-N 2 2 321.468 3.839 20 0 DHADLP C[C@@H]1CC([N@H+]2Cc3cccnc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041996 1015620028 /nfs/dbraw/zinc/62/00/28/1015620028.db2.gz XLUSRNUJVNSWAD-IAGOWNOFSA-N 2 2 321.468 3.839 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474898261 1015696455 /nfs/dbraw/zinc/69/64/55/1015696455.db2.gz WMXAARVPWUDUFX-RWMBFGLXSA-N 2 2 300.899 3.825 20 0 DHADLP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341915647 1015841155 /nfs/dbraw/zinc/84/11/55/1015841155.db2.gz WXNHHFAALARJNW-SXLOBPIMSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341915647 1015841160 /nfs/dbraw/zinc/84/11/60/1015841160.db2.gz WXNHHFAALARJNW-SXLOBPIMSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1CC[C@H](C)[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341915647 1015841168 /nfs/dbraw/zinc/84/11/68/1015841168.db2.gz WXNHHFAALARJNW-SXLOBPIMSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1CC[C@H](C)[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341915647 1015841174 /nfs/dbraw/zinc/84/11/74/1015841174.db2.gz WXNHHFAALARJNW-SXLOBPIMSA-N 2 2 316.489 3.540 20 0 DHADLP Cc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000361865648 1032134196 /nfs/dbraw/zinc/13/41/96/1032134196.db2.gz PHPXMIBBVBQLKY-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP Cc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000361865648 1032134203 /nfs/dbraw/zinc/13/42/03/1032134203.db2.gz PHPXMIBBVBQLKY-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)c1ccc(OC)cc1 ZINC000150961639 1016001803 /nfs/dbraw/zinc/00/18/03/1016001803.db2.gz XFHCBUOVEGVKSV-SJLPKXTDSA-N 2 2 313.445 3.646 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1sc(C(C)C)nc1C)C2 ZINC000150967067 1016003507 /nfs/dbraw/zinc/00/35/07/1016003507.db2.gz KBHFSOGBSHLJDS-GXTWGEPZSA-N 2 2 318.490 3.745 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](Cc1ccc(F)cc1)C(C)C)C2 ZINC000151001187 1016009778 /nfs/dbraw/zinc/00/97/78/1016009778.db2.gz IGSLLYVQYKUQNG-ZWKOTPCHSA-N 2 2 315.436 3.502 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000151036398 1016016086 /nfs/dbraw/zinc/01/60/86/1016016086.db2.gz HJXSMLVEEFCZIY-GXTWGEPZSA-N 2 2 319.836 3.519 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000277321617 1016197274 /nfs/dbraw/zinc/19/72/74/1016197274.db2.gz CCVRPXLEKJCXNY-GFCCVEGCSA-N 2 2 318.433 3.652 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000277321617 1016197281 /nfs/dbraw/zinc/19/72/81/1016197281.db2.gz CCVRPXLEKJCXNY-GFCCVEGCSA-N 2 2 318.433 3.652 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000387244077 1016409961 /nfs/dbraw/zinc/40/99/61/1016409961.db2.gz RAXRZFBPLJQVDO-QZTJIDSGSA-N 2 2 304.478 3.617 20 0 DHADLP Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001279571876 1016413900 /nfs/dbraw/zinc/41/39/00/1016413900.db2.gz BLUNKKWPXODUTL-LJQANCHMSA-N 2 2 317.477 3.522 20 0 DHADLP Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CC[NH+](C3CCCC3)C2)C1 ZINC001279571876 1016413910 /nfs/dbraw/zinc/41/39/10/1016413910.db2.gz BLUNKKWPXODUTL-LJQANCHMSA-N 2 2 317.477 3.522 20 0 DHADLP Cc1noc(C)c1C[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001279571876 1016413915 /nfs/dbraw/zinc/41/39/15/1016413915.db2.gz BLUNKKWPXODUTL-LJQANCHMSA-N 2 2 317.477 3.522 20 0 DHADLP Cc1noc(C)c1C[NH+]1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001279571876 1016413922 /nfs/dbraw/zinc/41/39/22/1016413922.db2.gz BLUNKKWPXODUTL-LJQANCHMSA-N 2 2 317.477 3.522 20 0 DHADLP Cc1cncc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001279574503 1016489024 /nfs/dbraw/zinc/48/90/24/1016489024.db2.gz VNESSHJJDJRDOU-HXUWFJFHSA-N 2 2 313.489 3.621 20 0 DHADLP Cc1cncc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCCC4)C3)C2)c1 ZINC001279574503 1016489026 /nfs/dbraw/zinc/48/90/26/1016489026.db2.gz VNESSHJJDJRDOU-HXUWFJFHSA-N 2 2 313.489 3.621 20 0 DHADLP Cc1cncc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC001279574503 1016489033 /nfs/dbraw/zinc/48/90/33/1016489033.db2.gz VNESSHJJDJRDOU-HXUWFJFHSA-N 2 2 313.489 3.621 20 0 DHADLP Cc1cncc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)c1 ZINC001279574503 1016489037 /nfs/dbraw/zinc/48/90/37/1016489037.db2.gz VNESSHJJDJRDOU-HXUWFJFHSA-N 2 2 313.489 3.621 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000346627602 1016488049 /nfs/dbraw/zinc/48/80/49/1016488049.db2.gz AAQFMUABUPVTIZ-GXSJLCMTSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000346627602 1016488053 /nfs/dbraw/zinc/48/80/53/1016488053.db2.gz AAQFMUABUPVTIZ-GXSJLCMTSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000281360966 1016488400 /nfs/dbraw/zinc/48/84/00/1016488400.db2.gz WBUGIAIQZCNIQV-QWHCGFSZSA-N 2 2 311.351 3.511 20 0 DHADLP CC[C@@H](C)C[N@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001167562293 1016576880 /nfs/dbraw/zinc/57/68/80/1016576880.db2.gz JGKKIMVAOXJQBG-QUCCMNQESA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@@H](C)C[N@@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001167562293 1016576886 /nfs/dbraw/zinc/57/68/86/1016576886.db2.gz JGKKIMVAOXJQBG-QUCCMNQESA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@@H](C)C[NH+](CC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001167562293 1016576896 /nfs/dbraw/zinc/57/68/96/1016576896.db2.gz JGKKIMVAOXJQBG-QUCCMNQESA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@@H](C)C[NH+](CC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001167562293 1016576906 /nfs/dbraw/zinc/57/69/06/1016576906.db2.gz JGKKIMVAOXJQBG-QUCCMNQESA-N 2 2 318.505 3.646 20 0 DHADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347094179 1016725137 /nfs/dbraw/zinc/72/51/37/1016725137.db2.gz QNCYIMJCGUBTFA-DZGCQCFKSA-N 2 2 302.805 3.949 20 0 DHADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347094179 1016725152 /nfs/dbraw/zinc/72/51/52/1016725152.db2.gz QNCYIMJCGUBTFA-DZGCQCFKSA-N 2 2 302.805 3.949 20 0 DHADLP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000342609294 1016847018 /nfs/dbraw/zinc/84/70/18/1016847018.db2.gz UZUDUDPEFUJUPG-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000342609294 1016847033 /nfs/dbraw/zinc/84/70/33/1016847033.db2.gz UZUDUDPEFUJUPG-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000342609294 1016847048 /nfs/dbraw/zinc/84/70/48/1016847048.db2.gz UZUDUDPEFUJUPG-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000342609294 1016847060 /nfs/dbraw/zinc/84/70/60/1016847060.db2.gz UZUDUDPEFUJUPG-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168053097 1016915193 /nfs/dbraw/zinc/91/51/93/1016915193.db2.gz MSVBCHWZPHQNJB-UKBAYJJMSA-N 2 2 304.453 3.862 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053097 1016915205 /nfs/dbraw/zinc/91/52/05/1016915205.db2.gz MSVBCHWZPHQNJB-UKBAYJJMSA-N 2 2 304.453 3.862 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053097 1016915217 /nfs/dbraw/zinc/91/52/17/1016915217.db2.gz MSVBCHWZPHQNJB-UKBAYJJMSA-N 2 2 304.453 3.862 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053097 1016915230 /nfs/dbraw/zinc/91/52/30/1016915230.db2.gz MSVBCHWZPHQNJB-UKBAYJJMSA-N 2 2 304.453 3.862 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC1(C)C ZINC000623344566 1016974468 /nfs/dbraw/zinc/97/44/68/1016974468.db2.gz TUYNDXZXOIUDEQ-CYBMUJFWSA-N 2 2 316.367 3.548 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)CC1(C)C ZINC000623344566 1016974482 /nfs/dbraw/zinc/97/44/82/1016974482.db2.gz TUYNDXZXOIUDEQ-CYBMUJFWSA-N 2 2 316.367 3.548 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623353025 1016977592 /nfs/dbraw/zinc/97/75/92/1016977592.db2.gz YXMKDVBFMIOMPZ-UHFFFAOYSA-N 2 2 320.424 3.977 20 0 DHADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2[nH]1 ZINC000623356955 1016985964 /nfs/dbraw/zinc/98/59/64/1016985964.db2.gz QIARTXXZXBSPJH-WMLDXEAASA-N 2 2 314.477 3.722 20 0 DHADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2[nH]1 ZINC000623356955 1016985972 /nfs/dbraw/zinc/98/59/72/1016985972.db2.gz QIARTXXZXBSPJH-WMLDXEAASA-N 2 2 314.477 3.722 20 0 DHADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cs1 ZINC000623363421 1016994323 /nfs/dbraw/zinc/99/43/23/1016994323.db2.gz TVRKJRJOSOAKJU-UHFFFAOYSA-N 2 2 318.408 3.731 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(C)CCCC3)CC2)cc1 ZINC000772968625 1032204721 /nfs/dbraw/zinc/20/47/21/1032204721.db2.gz XJTKFSKLOWNXRR-UHFFFAOYSA-N 2 2 315.505 3.891 20 0 DHADLP C[NH2+]CC[C@H](C)[N@@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001246823678 1032205957 /nfs/dbraw/zinc/20/59/57/1032205957.db2.gz QKFQTKSPCYDEOC-NWDGAFQWSA-N 2 2 301.261 3.781 20 0 DHADLP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001246823678 1032205977 /nfs/dbraw/zinc/20/59/77/1032205977.db2.gz QKFQTKSPCYDEOC-NWDGAFQWSA-N 2 2 301.261 3.781 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1sccc1Br ZINC000221917767 1032252136 /nfs/dbraw/zinc/25/21/36/1032252136.db2.gz HRFHEWDYZXDDLF-LLVKDONJSA-N 2 2 319.312 3.892 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1sccc1Br ZINC000221917767 1032252148 /nfs/dbraw/zinc/25/21/48/1032252148.db2.gz HRFHEWDYZXDDLF-LLVKDONJSA-N 2 2 319.312 3.892 20 0 DHADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001204783065 1017073103 /nfs/dbraw/zinc/07/31/03/1017073103.db2.gz NXFBPHCWXXWASI-INIZCTEOSA-N 2 2 319.246 3.525 20 0 DHADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001204783065 1017073111 /nfs/dbraw/zinc/07/31/11/1017073111.db2.gz NXFBPHCWXXWASI-INIZCTEOSA-N 2 2 319.246 3.525 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000475198140 1017076055 /nfs/dbraw/zinc/07/60/55/1017076055.db2.gz WCBPHBSKQYMZIY-GPMSIDNRSA-N 2 2 316.489 3.794 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000475198140 1017076062 /nfs/dbraw/zinc/07/60/62/1017076062.db2.gz WCBPHBSKQYMZIY-GPMSIDNRSA-N 2 2 316.489 3.794 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246905814 1032268981 /nfs/dbraw/zinc/26/89/81/1032268981.db2.gz AADQQZKQSBWAGJ-CJNGLKHVSA-N 2 2 312.910 3.895 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246905814 1032268989 /nfs/dbraw/zinc/26/89/89/1032268989.db2.gz AADQQZKQSBWAGJ-CJNGLKHVSA-N 2 2 312.910 3.895 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1ccccn1 ZINC000152364372 1032334823 /nfs/dbraw/zinc/33/48/23/1032334823.db2.gz VXYJHQZFMBGECL-BQFCYCMXSA-N 2 2 301.478 3.775 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccsc1C(F)(F)F ZINC000631188369 1032432216 /nfs/dbraw/zinc/43/22/16/1032432216.db2.gz DGXRWYNAYNRQAX-UHFFFAOYSA-N 2 2 315.364 3.518 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C ZINC000537636084 1032440311 /nfs/dbraw/zinc/44/03/11/1032440311.db2.gz KKLGXOILEVXAKU-MAUKXSAKSA-N 2 2 316.489 3.705 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C ZINC000537636084 1032440315 /nfs/dbraw/zinc/44/03/15/1032440315.db2.gz KKLGXOILEVXAKU-MAUKXSAKSA-N 2 2 316.489 3.705 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C ZINC000537636084 1032440322 /nfs/dbraw/zinc/44/03/22/1032440322.db2.gz KKLGXOILEVXAKU-MAUKXSAKSA-N 2 2 316.489 3.705 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C ZINC000537636084 1032440326 /nfs/dbraw/zinc/44/03/26/1032440326.db2.gz KKLGXOILEVXAKU-MAUKXSAKSA-N 2 2 316.489 3.705 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1nc2c(s1)CCCC2 ZINC000091733571 1032452231 /nfs/dbraw/zinc/45/22/31/1032452231.db2.gz WRVUQUUJGAPBLR-RDBSUJKOSA-N 2 2 307.507 3.545 20 0 DHADLP C[N@@H+](Cc1cnc(-c2cccs2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000092253735 1032485552 /nfs/dbraw/zinc/48/55/52/1032485552.db2.gz FPOHZCHPZIGEGU-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP C[N@H+](Cc1cnc(-c2cccs2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000092253735 1032485560 /nfs/dbraw/zinc/48/55/60/1032485560.db2.gz FPOHZCHPZIGEGU-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP C[NH+](Cc1cnc(-c2cccs2)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253735 1032485564 /nfs/dbraw/zinc/48/55/64/1032485564.db2.gz FPOHZCHPZIGEGU-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP C[NH+](Cc1cnc(-c2cccs2)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253735 1032485568 /nfs/dbraw/zinc/48/55/68/1032485568.db2.gz FPOHZCHPZIGEGU-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1sccc1Br ZINC000643496473 1032487728 /nfs/dbraw/zinc/48/77/28/1032487728.db2.gz ARTCVSUHGBAJAU-JTQLQIEISA-N 2 2 317.296 3.823 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Br)ccc1F ZINC000424374780 1012013970 /nfs/dbraw/zinc/01/39/70/1012013970.db2.gz LQSDXSHQPHLSME-CUOATXAZSA-N 2 2 315.230 3.509 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1Br ZINC000643546009 1012091267 /nfs/dbraw/zinc/09/12/67/1012091267.db2.gz HAJUQYIBZOJHGZ-OLZOCXBDSA-N 2 2 323.278 3.774 20 0 DHADLP Cc1[nH]c(CNc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)[nH+]c1C ZINC000514873627 1012479534 /nfs/dbraw/zinc/47/95/34/1012479534.db2.gz PTZASNIWSCRJTQ-CQSZACIVSA-N 2 2 312.461 3.871 20 0 DHADLP Cc1[nH]c(CNc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)[nH+]c1C ZINC000514873627 1012479545 /nfs/dbraw/zinc/47/95/45/1012479545.db2.gz PTZASNIWSCRJTQ-CQSZACIVSA-N 2 2 312.461 3.871 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000514947880 1012512137 /nfs/dbraw/zinc/51/21/37/1012512137.db2.gz NQTXMGOBFXJVMG-IBGZPJMESA-N 2 2 318.424 3.565 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000514947880 1012512148 /nfs/dbraw/zinc/51/21/48/1012512148.db2.gz NQTXMGOBFXJVMG-IBGZPJMESA-N 2 2 318.424 3.565 20 0 DHADLP Cc1cc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)nc(C(C)C)[nH+]1 ZINC001167089967 1012844021 /nfs/dbraw/zinc/84/40/21/1012844021.db2.gz ZPRPXCGMOPBPFA-UHFFFAOYSA-N 2 2 324.403 3.637 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCS2 ZINC000037249391 1012922916 /nfs/dbraw/zinc/92/29/16/1012922916.db2.gz CRNVJVALMGVNGJ-CQSZACIVSA-N 2 2 307.850 3.753 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037320436 1013006756 /nfs/dbraw/zinc/00/67/56/1013006756.db2.gz AJMNYFAPLTXMKM-NWDGAFQWSA-N 2 2 306.479 3.685 20 0 DHADLP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000897229494 1017178347 /nfs/dbraw/zinc/17/83/47/1017178347.db2.gz UDLQZDCZGKIOPR-IEBWSBKVSA-N 2 2 308.510 3.602 20 0 DHADLP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000897229494 1017178360 /nfs/dbraw/zinc/17/83/60/1017178360.db2.gz UDLQZDCZGKIOPR-IEBWSBKVSA-N 2 2 308.510 3.602 20 0 DHADLP CC(C)=CCC[C@H](C)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000897229496 1017179123 /nfs/dbraw/zinc/17/91/23/1017179123.db2.gz UDLQZDCZGKIOPR-PKOBYXMFSA-N 2 2 308.510 3.602 20 0 DHADLP CC(C)=CCC[C@H](C)CC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000897229496 1017179137 /nfs/dbraw/zinc/17/91/37/1017179137.db2.gz UDLQZDCZGKIOPR-PKOBYXMFSA-N 2 2 308.510 3.602 20 0 DHADLP C[C@H](CCC1CCCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655715146 1017223449 /nfs/dbraw/zinc/22/34/49/1017223449.db2.gz HZPWDQOZCRGRPQ-VQIMIIECSA-N 2 2 308.510 3.578 20 0 DHADLP CSc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000075758068 1017362883 /nfs/dbraw/zinc/36/28/83/1017362883.db2.gz SWTAINDFNYQKCV-UHFFFAOYSA-N 2 2 323.465 3.943 20 0 DHADLP CCC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(C)ccn1 ZINC000631565647 1017392648 /nfs/dbraw/zinc/39/26/48/1017392648.db2.gz HTEZQMCVVGZOMR-KRWDZBQOSA-N 2 2 312.461 3.596 20 0 DHADLP Cc1cc(C[N@@H+]2CCC[NH2+]CC2)ccc1Oc1ccc(F)cc1 ZINC001204685016 1017495128 /nfs/dbraw/zinc/49/51/28/1017495128.db2.gz RSIRYLKGCIPQOX-UHFFFAOYSA-N 2 2 314.404 3.722 20 0 DHADLP Cc1cc(C[N@H+]2CCC[NH2+]CC2)ccc1Oc1ccc(F)cc1 ZINC001204685016 1017495136 /nfs/dbraw/zinc/49/51/36/1017495136.db2.gz RSIRYLKGCIPQOX-UHFFFAOYSA-N 2 2 314.404 3.722 20 0 DHADLP Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000623860689 1017534456 /nfs/dbraw/zinc/53/44/56/1017534456.db2.gz BPYXQYBJDRKJHS-CHWSQXEVSA-N 2 2 322.250 3.693 20 0 DHADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000623974394 1017618100 /nfs/dbraw/zinc/61/81/00/1017618100.db2.gz DFLFNHFWDCXKDD-WBVHZDCISA-N 2 2 315.486 3.624 20 0 DHADLP Cc1csc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623974394 1017618109 /nfs/dbraw/zinc/61/81/09/1017618109.db2.gz DFLFNHFWDCXKDD-WBVHZDCISA-N 2 2 315.486 3.624 20 0 DHADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC001143448329 1017802717 /nfs/dbraw/zinc/80/27/17/1017802717.db2.gz OKDIXCIFHXWSCQ-UHFFFAOYSA-N 2 2 300.368 3.540 20 0 DHADLP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC001143448329 1017802738 /nfs/dbraw/zinc/80/27/38/1017802738.db2.gz OKDIXCIFHXWSCQ-UHFFFAOYSA-N 2 2 300.368 3.540 20 0 DHADLP CCOc1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000078887962 1017866247 /nfs/dbraw/zinc/86/62/47/1017866247.db2.gz FWACBXPIMYPKPT-UHFFFAOYSA-N 2 2 321.424 3.620 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)o1 ZINC000278196837 1018326295 /nfs/dbraw/zinc/32/62/95/1018326295.db2.gz FZGZASKMFWVZLA-OAHLLOKOSA-N 2 2 309.413 3.992 20 0 DHADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001205190425 1018357554 /nfs/dbraw/zinc/35/75/54/1018357554.db2.gz OSXYQORZHPVQQS-FZKQIMNGSA-N 2 2 300.833 3.929 20 0 DHADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2Cl)cc1 ZINC001205190425 1018357565 /nfs/dbraw/zinc/35/75/65/1018357565.db2.gz OSXYQORZHPVQQS-FZKQIMNGSA-N 2 2 300.833 3.929 20 0 DHADLP CC(C)[C@H](C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766109805 1018374382 /nfs/dbraw/zinc/37/43/82/1018374382.db2.gz RNDHMEKUQZCTCL-MRXNPFEDSA-N 2 2 303.494 3.603 20 0 DHADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000536022650 1018454489 /nfs/dbraw/zinc/45/44/89/1018454489.db2.gz UEJRPMBICKHRPT-OAHLLOKOSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000536022650 1018454496 /nfs/dbraw/zinc/45/44/96/1018454496.db2.gz UEJRPMBICKHRPT-OAHLLOKOSA-N 2 2 322.412 3.753 20 0 DHADLP CO[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000658317794 1018459671 /nfs/dbraw/zinc/45/96/71/1018459671.db2.gz XAHZWGZERHPIRF-BEFAXECRSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)[C@H]1CC[NH3+] ZINC000650711328 1018538617 /nfs/dbraw/zinc/53/86/17/1018538617.db2.gz PTCOCTARZIQPFJ-OCCSQVGLSA-N 2 2 321.515 3.821 20 0 DHADLP C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)[C@H]1CC[NH3+] ZINC000650711328 1018538624 /nfs/dbraw/zinc/53/86/24/1018538624.db2.gz PTCOCTARZIQPFJ-OCCSQVGLSA-N 2 2 321.515 3.821 20 0 DHADLP Cc1occc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000675779344 1018580966 /nfs/dbraw/zinc/58/09/66/1018580966.db2.gz LWHVEIUKDQEDLG-UHFFFAOYSA-N 2 2 316.420 3.524 20 0 DHADLP Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c2cc(F)ccc2[nH+]1 ZINC000675790778 1018593386 /nfs/dbraw/zinc/59/33/86/1018593386.db2.gz FZLMURZYUWRHQH-OAHLLOKOSA-N 2 2 310.376 3.720 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c2ccccc12 ZINC000675834507 1018608244 /nfs/dbraw/zinc/60/82/44/1018608244.db2.gz VBIWRXWXYAHGIB-RDJZCZTQSA-N 2 2 324.468 3.983 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc12 ZINC000675834507 1018608246 /nfs/dbraw/zinc/60/82/46/1018608246.db2.gz VBIWRXWXYAHGIB-RDJZCZTQSA-N 2 2 324.468 3.983 20 0 DHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccco3)s2)CC1 ZINC000278429929 1018686389 /nfs/dbraw/zinc/68/63/89/1018686389.db2.gz JSXRPDNBZWARMG-UHFFFAOYSA-N 2 2 319.474 3.708 20 0 DHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccco3)s2)CC1 ZINC000278429929 1018686394 /nfs/dbraw/zinc/68/63/94/1018686394.db2.gz JSXRPDNBZWARMG-UHFFFAOYSA-N 2 2 319.474 3.708 20 0 DHADLP Cc1cccc2c1CC[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001171557178 1032778748 /nfs/dbraw/zinc/77/87/48/1032778748.db2.gz RCABMYOKQXUAKG-IBGZPJMESA-N 2 2 321.468 3.506 20 0 DHADLP Cc1nc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(C)s1 ZINC000676489147 1018749772 /nfs/dbraw/zinc/74/97/72/1018749772.db2.gz IBRLWJVNICIOLX-NSHDSACASA-N 2 2 321.465 3.811 20 0 DHADLP Cc1cccc2c1CC[C@@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001171566354 1032787022 /nfs/dbraw/zinc/78/70/22/1032787022.db2.gz VTCNCQRNWZSKBO-GOSISDBHSA-N 2 2 322.452 3.791 20 0 DHADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903905670 1018867041 /nfs/dbraw/zinc/86/70/41/1018867041.db2.gz LIJMBOZFSIPAIR-WPRPVWTQSA-N 2 2 311.203 3.969 20 0 DHADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000903905670 1018867027 /nfs/dbraw/zinc/86/70/27/1018867027.db2.gz LIJMBOZFSIPAIR-WPRPVWTQSA-N 2 2 311.203 3.969 20 0 DHADLP FC1(F)CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000711179592 1018913657 /nfs/dbraw/zinc/91/36/57/1018913657.db2.gz FWIWRWFXLIZRAI-KRWDZBQOSA-N 2 2 308.416 3.819 20 0 DHADLP FC1(F)CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000711179592 1018913675 /nfs/dbraw/zinc/91/36/75/1018913675.db2.gz FWIWRWFXLIZRAI-KRWDZBQOSA-N 2 2 308.416 3.819 20 0 DHADLP C[NH+]1C(C)(C)CC([NH2+][C@H](c2ncccc2F)C2CC2)CC1(C)C ZINC001171630628 1032794135 /nfs/dbraw/zinc/79/41/35/1032794135.db2.gz QZPCJVYZYSZISX-INIZCTEOSA-N 2 2 319.468 3.913 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000450710681 1018931959 /nfs/dbraw/zinc/93/19/59/1018931959.db2.gz NSNNLAXZFFNUCM-HIFRSBDPSA-N 2 2 305.372 3.958 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000261863685 1019013458 /nfs/dbraw/zinc/01/34/58/1019013458.db2.gz GHGYHRAYOWMPHP-JSGCOSHPSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000261863685 1019013473 /nfs/dbraw/zinc/01/34/73/1019013473.db2.gz GHGYHRAYOWMPHP-JSGCOSHPSA-N 2 2 319.836 3.554 20 0 DHADLP CC(C)(C)Oc1cc[nH+]c(N2C[C@H](CC[NH3+])c3ccccc32)c1 ZINC001168555684 1019127640 /nfs/dbraw/zinc/12/76/40/1019127640.db2.gz QTKCGACWORYNDA-AWEZNQCLSA-N 2 2 311.429 3.843 20 0 DHADLP Cc1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cs1 ZINC000076719831 1019163356 /nfs/dbraw/zinc/16/33/56/1019163356.db2.gz MDILKTUOGLFPEM-UHFFFAOYSA-N 2 2 307.507 3.540 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](CCC(C)C)C2CC2)CC1 ZINC000338776376 1019178632 /nfs/dbraw/zinc/17/86/32/1019178632.db2.gz JPHDGEFRZJQTCU-SFHVURJKSA-N 2 2 310.526 3.680 20 0 DHADLP c1nc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)sc1-c1ccccc1 ZINC000666997103 1032812510 /nfs/dbraw/zinc/81/25/10/1032812510.db2.gz XAKNMEDGPKHYNZ-OAHLLOKOSA-N 2 2 313.470 3.574 20 0 DHADLP Cc1ccc(CC[C@@H](C)[N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001171664965 1032819549 /nfs/dbraw/zinc/81/95/49/1032819549.db2.gz ILSRQVIPMRAFMB-DYESRHJHSA-N 2 2 308.469 3.702 20 0 DHADLP Cc1ccc(CC[C@@H](C)[N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001171664965 1032819567 /nfs/dbraw/zinc/81/95/67/1032819567.db2.gz ILSRQVIPMRAFMB-DYESRHJHSA-N 2 2 308.469 3.702 20 0 DHADLP Cc1ccc([C@@H](C[NH2+]C2CC(CF)(CF)C2)[NH+]2CCCC2)cc1 ZINC000657860242 1019398892 /nfs/dbraw/zinc/39/88/92/1019398892.db2.gz DGLNZXAQPZPFMA-GOSISDBHSA-N 2 2 322.443 3.809 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(-c2ccncc2)c1 ZINC000091892674 1019492342 /nfs/dbraw/zinc/49/23/42/1019492342.db2.gz FPXZTCAEKGMYPW-RTWAWAEBSA-N 2 2 321.468 3.807 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(-c2ccncc2)c1 ZINC000091892674 1019492352 /nfs/dbraw/zinc/49/23/52/1019492352.db2.gz FPXZTCAEKGMYPW-RTWAWAEBSA-N 2 2 321.468 3.807 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2ccncc2)c1 ZINC000091892674 1019492363 /nfs/dbraw/zinc/49/23/63/1019492363.db2.gz FPXZTCAEKGMYPW-RTWAWAEBSA-N 2 2 321.468 3.807 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2ccncc2)c1 ZINC000091892674 1019492375 /nfs/dbraw/zinc/49/23/75/1019492375.db2.gz FPXZTCAEKGMYPW-RTWAWAEBSA-N 2 2 321.468 3.807 20 0 DHADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000093942429 1019593830 /nfs/dbraw/zinc/59/38/30/1019593830.db2.gz MDMRAVKGVYWJJW-NUJGCVRESA-N 2 2 301.478 3.855 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000858320803 1032847556 /nfs/dbraw/zinc/84/75/56/1032847556.db2.gz JGOYCPLHLDOHOV-MRXNPFEDSA-N 2 2 301.821 3.578 20 0 DHADLP COC1([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000657882699 1019738972 /nfs/dbraw/zinc/73/89/72/1019738972.db2.gz UXFHKQLQBNMUPJ-JKSUJKDBSA-N 2 2 304.478 3.663 20 0 DHADLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347604865 1019766817 /nfs/dbraw/zinc/76/68/17/1019766817.db2.gz FGQXPIROZJEYEJ-KRWDZBQOSA-N 2 2 315.486 3.850 20 0 DHADLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347604865 1019766831 /nfs/dbraw/zinc/76/68/31/1019766831.db2.gz FGQXPIROZJEYEJ-KRWDZBQOSA-N 2 2 315.486 3.850 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C(F)F)nc1 ZINC000657899145 1019899244 /nfs/dbraw/zinc/89/92/44/1019899244.db2.gz ALPIOYJDXYMATM-LBPRGKRZSA-N 2 2 306.360 3.567 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000685621378 1019981322 /nfs/dbraw/zinc/98/13/22/1019981322.db2.gz BYOJMPJZICOIHG-SDNWHVSQSA-N 2 2 324.415 3.765 20 0 DHADLP CS[C@@H]1CCC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000922335280 1020012160 /nfs/dbraw/zinc/01/21/60/1020012160.db2.gz JZQXNBCDIMHEDB-KZNAEPCWSA-N 2 2 315.486 3.888 20 0 DHADLP c1csc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000101549715 1020054746 /nfs/dbraw/zinc/05/47/46/1020054746.db2.gz UJUQDFSRANDOFR-MRXNPFEDSA-N 2 2 324.453 3.708 20 0 DHADLP c1csc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000101549715 1020054762 /nfs/dbraw/zinc/05/47/62/1020054762.db2.gz UJUQDFSRANDOFR-MRXNPFEDSA-N 2 2 324.453 3.708 20 0 DHADLP c1ccc(-c2ccccc2C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000731041689 1020060246 /nfs/dbraw/zinc/06/02/46/1020060246.db2.gz PCJJOXHORBFZHJ-FQEVSTJZSA-N 2 2 306.453 3.928 20 0 DHADLP c1ccc(-c2ccccc2C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000731041689 1020060251 /nfs/dbraw/zinc/06/02/51/1020060251.db2.gz PCJJOXHORBFZHJ-FQEVSTJZSA-N 2 2 306.453 3.928 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCSCC1)C1CC1 ZINC000657981938 1020062999 /nfs/dbraw/zinc/06/29/99/1020062999.db2.gz WTNXSZCHYHKKOU-RBUKOAKNSA-N 2 2 318.530 3.772 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCSCC1)C1CC1 ZINC000657981938 1020063006 /nfs/dbraw/zinc/06/30/06/1020063006.db2.gz WTNXSZCHYHKKOU-RBUKOAKNSA-N 2 2 318.530 3.772 20 0 DHADLP CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658091738 1020137397 /nfs/dbraw/zinc/13/73/97/1020137397.db2.gz VGOIOURBMIUOPN-YJBOKZPZSA-N 2 2 313.445 3.728 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC[NH+]1CCCC1 ZINC000673599556 1020174792 /nfs/dbraw/zinc/17/47/92/1020174792.db2.gz GQBAASLPNJDCDM-SDNWHVSQSA-N 2 2 312.379 3.794 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000673601522 1020179270 /nfs/dbraw/zinc/17/92/70/1020179270.db2.gz WPVNICDVDBGWQP-YQCJOKCJSA-N 2 2 300.368 3.648 20 0 DHADLP C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658225964 1020236076 /nfs/dbraw/zinc/23/60/76/1020236076.db2.gz XDERWWKWNHJVOU-XJKSGUPXSA-N 2 2 305.372 3.958 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658242555 1020253565 /nfs/dbraw/zinc/25/35/65/1020253565.db2.gz ZWVZJRPIMJAVJQ-XOBRGWDASA-N 2 2 319.408 3.916 20 0 DHADLP CO[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000658317795 1020299408 /nfs/dbraw/zinc/29/94/08/1020299408.db2.gz XAHZWGZERHPIRF-DNVCBOLYSA-N 2 2 313.445 3.728 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)sn1 ZINC000404428649 1020418998 /nfs/dbraw/zinc/41/89/98/1020418998.db2.gz KBQHERCNICCOLH-RDJZCZTQSA-N 2 2 315.486 3.594 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)sn1 ZINC000404428649 1020419005 /nfs/dbraw/zinc/41/90/05/1020419005.db2.gz KBQHERCNICCOLH-RDJZCZTQSA-N 2 2 315.486 3.594 20 0 DHADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655847907 1020421124 /nfs/dbraw/zinc/42/11/24/1020421124.db2.gz FRMJLDHBKRRSAJ-ULQDDVLXSA-N 2 2 302.487 3.830 20 0 DHADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655847907 1020421129 /nfs/dbraw/zinc/42/11/29/1020421129.db2.gz FRMJLDHBKRRSAJ-ULQDDVLXSA-N 2 2 302.487 3.830 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(OC(F)F)c1 ZINC000655848884 1020422195 /nfs/dbraw/zinc/42/21/95/1020422195.db2.gz LAGPGKUOPSOTBK-IAOVAPTHSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(OC(F)F)c1 ZINC000655848884 1020422202 /nfs/dbraw/zinc/42/22/02/1020422202.db2.gz LAGPGKUOPSOTBK-IAOVAPTHSA-N 2 2 324.415 3.956 20 0 DHADLP c1cncc(-c2cccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)c2)c1 ZINC000655857302 1020431540 /nfs/dbraw/zinc/43/15/40/1020431540.db2.gz RZPWKWOQTVMFTD-LEWJYISDSA-N 2 2 321.468 3.855 20 0 DHADLP c1cncc(-c2cccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)c2)c1 ZINC000655857302 1020431544 /nfs/dbraw/zinc/43/15/44/1020431544.db2.gz RZPWKWOQTVMFTD-LEWJYISDSA-N 2 2 321.468 3.855 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168745816 1020526294 /nfs/dbraw/zinc/52/62/94/1020526294.db2.gz YUFPVIYVAFAEDH-INIZCTEOSA-N 2 2 318.892 3.758 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc2ccccc2o1 ZINC000278795805 1020548460 /nfs/dbraw/zinc/54/84/60/1020548460.db2.gz YXXQQMJSBUSZQJ-HOTGVXAUSA-N 2 2 316.445 3.584 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc2ccccc2o1 ZINC000278795805 1020548462 /nfs/dbraw/zinc/54/84/62/1020548462.db2.gz YXXQQMJSBUSZQJ-HOTGVXAUSA-N 2 2 316.445 3.584 20 0 DHADLP c1cn(Cc2ccc(C[NH2+]C(C3CCC3)C3CCC3)cc2)c[nH+]1 ZINC000338696929 1020560053 /nfs/dbraw/zinc/56/00/53/1020560053.db2.gz USQGWGDHCAUXNA-UHFFFAOYSA-N 2 2 309.457 3.990 20 0 DHADLP Clc1ccc2cccnc2c1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482505 1020586209 /nfs/dbraw/zinc/58/62/09/1020586209.db2.gz KNAJUFSOVSLJHW-UHFFFAOYSA-N 2 2 315.848 3.605 20 0 DHADLP Clc1ccc2cccnc2c1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482505 1020586211 /nfs/dbraw/zinc/58/62/11/1020586211.db2.gz KNAJUFSOVSLJHW-UHFFFAOYSA-N 2 2 315.848 3.605 20 0 DHADLP CC(C)C[C@H]1CCCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347855722 1020599399 /nfs/dbraw/zinc/59/93/99/1020599399.db2.gz NTOKKLFMVOBXJT-OAHLLOKOSA-N 2 2 309.523 3.995 20 0 DHADLP CC(C)C[C@H]1CCCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347855722 1020599400 /nfs/dbraw/zinc/59/94/00/1020599400.db2.gz NTOKKLFMVOBXJT-OAHLLOKOSA-N 2 2 309.523 3.995 20 0 DHADLP O=C(CCC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000294798678 1020605041 /nfs/dbraw/zinc/60/50/41/1020605041.db2.gz BZVHTGHXMFQBNK-UHFFFAOYSA-N 2 2 314.473 3.600 20 0 DHADLP CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347860234 1020605051 /nfs/dbraw/zinc/60/50/51/1020605051.db2.gz SCZYAIZXNMMMRZ-MRXNPFEDSA-N 2 2 317.502 3.658 20 0 DHADLP CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347860234 1020605054 /nfs/dbraw/zinc/60/50/54/1020605054.db2.gz SCZYAIZXNMMMRZ-MRXNPFEDSA-N 2 2 317.502 3.658 20 0 DHADLP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000735324553 1020718843 /nfs/dbraw/zinc/71/88/43/1020718843.db2.gz QZVWFOGDOHFPMD-HUUCEWRRSA-N 2 2 319.449 3.775 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCC([NH+](C)C)CC1 ZINC000685834052 1020783846 /nfs/dbraw/zinc/78/38/46/1020783846.db2.gz SVBOGARYSJPGPP-WYMLVPIESA-N 2 2 324.415 3.717 20 0 DHADLP Clc1cccc([C@H]2CC[C@H]([NH2+]CCCn3cc[nH+]c3)C2)c1 ZINC000414051325 1020817471 /nfs/dbraw/zinc/81/74/71/1020817471.db2.gz JFZWORBBNSWJAF-RDJZCZTQSA-N 2 2 303.837 3.853 20 0 DHADLP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000858531796 1032936294 /nfs/dbraw/zinc/93/62/94/1032936294.db2.gz AZHQWZYPLSLNHY-CRAIPNDOSA-N 2 2 302.462 3.753 20 0 DHADLP CCOc1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000858531796 1032936308 /nfs/dbraw/zinc/93/63/08/1032936308.db2.gz AZHQWZYPLSLNHY-CRAIPNDOSA-N 2 2 302.462 3.753 20 0 DHADLP C[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000742378568 1021115627 /nfs/dbraw/zinc/11/56/27/1021115627.db2.gz VAHGQPJBDNARTH-FUHWJXTLSA-N 2 2 315.505 3.890 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cncnc1 ZINC001171973067 1032958248 /nfs/dbraw/zinc/95/82/48/1032958248.db2.gz VQRFULIODORVFD-VQIMIIECSA-N 2 2 324.472 3.570 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cncnc1 ZINC001171973067 1032958260 /nfs/dbraw/zinc/95/82/60/1032958260.db2.gz VQRFULIODORVFD-VQIMIIECSA-N 2 2 324.472 3.570 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)oc1C ZINC000337393842 1032963500 /nfs/dbraw/zinc/96/35/00/1032963500.db2.gz MJBYEMCOILEHLK-HNNXBMFYSA-N 2 2 309.413 3.992 20 0 DHADLP CC1(C)C[C@@H]([NH2+][C@H]2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001171983932 1032964539 /nfs/dbraw/zinc/96/45/39/1032964539.db2.gz QSSNGBDLMBSTKZ-ROUUACIJSA-N 2 2 314.473 3.531 20 0 DHADLP CC1(C)C[C@@H]([NH2+][C@H]2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001171983932 1032964555 /nfs/dbraw/zinc/96/45/55/1032964555.db2.gz QSSNGBDLMBSTKZ-ROUUACIJSA-N 2 2 314.473 3.531 20 0 DHADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccccc2n1C ZINC000091341543 1021276857 /nfs/dbraw/zinc/27/68/57/1021276857.db2.gz MHNGQNIPDJXULH-YOEHRIQHSA-N 2 2 316.493 3.590 20 0 DHADLP Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000337394857 1032965078 /nfs/dbraw/zinc/96/50/78/1032965078.db2.gz OZVQEDKBVDFOQB-GOSISDBHSA-N 2 2 309.457 3.907 20 0 DHADLP Cc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000337394857 1032965081 /nfs/dbraw/zinc/96/50/81/1032965081.db2.gz OZVQEDKBVDFOQB-GOSISDBHSA-N 2 2 309.457 3.907 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000252426897 1021285581 /nfs/dbraw/zinc/28/55/81/1021285581.db2.gz WOQAXCIWOOXHJR-HIFRSBDPSA-N 2 2 310.894 3.951 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000252426897 1021285584 /nfs/dbraw/zinc/28/55/84/1021285584.db2.gz WOQAXCIWOOXHJR-HIFRSBDPSA-N 2 2 310.894 3.951 20 0 DHADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043130 1021328967 /nfs/dbraw/zinc/32/89/67/1021328967.db2.gz KBYLXZRJIWXBJU-XLIONFOSSA-N 2 2 324.468 3.765 20 0 DHADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043130 1021328984 /nfs/dbraw/zinc/32/89/84/1021328984.db2.gz KBYLXZRJIWXBJU-XLIONFOSSA-N 2 2 324.468 3.765 20 0 DHADLP COc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043130 1021329002 /nfs/dbraw/zinc/32/90/02/1021329002.db2.gz KBYLXZRJIWXBJU-XLIONFOSSA-N 2 2 324.468 3.765 20 0 DHADLP COc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043130 1021329018 /nfs/dbraw/zinc/32/90/18/1021329018.db2.gz KBYLXZRJIWXBJU-XLIONFOSSA-N 2 2 324.468 3.765 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(F)c1F ZINC000850060799 1021407089 /nfs/dbraw/zinc/40/70/89/1021407089.db2.gz UNYSUAGRECNHQB-ZDUSSCGKSA-N 2 2 311.351 3.505 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(SC(F)F)cc1 ZINC000154633670 1021438659 /nfs/dbraw/zinc/43/86/59/1021438659.db2.gz UVEXXIJSKXLTNB-WCQYABFASA-N 2 2 300.418 3.746 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(SC(F)F)cc1 ZINC000154633670 1021438665 /nfs/dbraw/zinc/43/86/65/1021438665.db2.gz UVEXXIJSKXLTNB-WCQYABFASA-N 2 2 300.418 3.746 20 0 DHADLP Fc1ccc([C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000538099854 1032986195 /nfs/dbraw/zinc/98/61/95/1032986195.db2.gz DOOKIAAVPGNUMA-MJGOQNOKSA-N 2 2 302.437 3.883 20 0 DHADLP Fc1ccc([C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000538099854 1032986206 /nfs/dbraw/zinc/98/62/06/1032986206.db2.gz DOOKIAAVPGNUMA-MJGOQNOKSA-N 2 2 302.437 3.883 20 0 DHADLP COc1ccccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336959 1021563965 /nfs/dbraw/zinc/56/39/65/1021563965.db2.gz XMDRZDGOTJKVPC-LJQANCHMSA-N 2 2 324.468 3.649 20 0 DHADLP COc1ccccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336959 1021563976 /nfs/dbraw/zinc/56/39/76/1021563976.db2.gz XMDRZDGOTJKVPC-LJQANCHMSA-N 2 2 324.468 3.649 20 0 DHADLP COc1ccccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336959 1021563983 /nfs/dbraw/zinc/56/39/83/1021563983.db2.gz XMDRZDGOTJKVPC-LJQANCHMSA-N 2 2 324.468 3.649 20 0 DHADLP COc1ccccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336959 1021563994 /nfs/dbraw/zinc/56/39/94/1021563994.db2.gz XMDRZDGOTJKVPC-LJQANCHMSA-N 2 2 324.468 3.649 20 0 DHADLP CCCCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850557456 1021603635 /nfs/dbraw/zinc/60/36/35/1021603635.db2.gz OJBWORJEPOJMPC-YZGWKJHDSA-N 2 2 322.537 3.968 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000093693601 1021653696 /nfs/dbraw/zinc/65/36/96/1021653696.db2.gz QNPXOYBOLOLRSK-SFHVURJKSA-N 2 2 316.489 3.639 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000093693601 1021653700 /nfs/dbraw/zinc/65/37/00/1021653700.db2.gz QNPXOYBOLOLRSK-SFHVURJKSA-N 2 2 316.489 3.639 20 0 DHADLP C[C@@H](CC[NH2+][C@H]1CCc2cccnc21)[N@H+](C)Cc1ccccc1 ZINC000379646892 1021658037 /nfs/dbraw/zinc/65/80/37/1021658037.db2.gz JQQCKXJBJNUISN-LPHOPBHVSA-N 2 2 309.457 3.569 20 0 DHADLP C[C@@H](CC[NH2+][C@H]1CCc2cccnc21)[N@@H+](C)Cc1ccccc1 ZINC000379646892 1021658058 /nfs/dbraw/zinc/65/80/58/1021658058.db2.gz JQQCKXJBJNUISN-LPHOPBHVSA-N 2 2 309.457 3.569 20 0 DHADLP Cc1cc[nH+]c(N2CCN(c3[nH+]ccc4c(C)cccc43)CC2)c1 ZINC000564892405 1021665193 /nfs/dbraw/zinc/66/51/93/1021665193.db2.gz XMVDCECMJQENBW-UHFFFAOYSA-N 2 2 318.424 3.573 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC2CCCC2)C1 ZINC000093770020 1021675956 /nfs/dbraw/zinc/67/59/56/1021675956.db2.gz STUNUHCJLISALV-QGZVFWFLSA-N 2 2 316.489 3.782 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OC2CCCC2)C1 ZINC000093770020 1021675982 /nfs/dbraw/zinc/67/59/82/1021675982.db2.gz STUNUHCJLISALV-QGZVFWFLSA-N 2 2 316.489 3.782 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000093770020 1021675985 /nfs/dbraw/zinc/67/59/85/1021675985.db2.gz STUNUHCJLISALV-QGZVFWFLSA-N 2 2 316.489 3.782 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000093770020 1021675988 /nfs/dbraw/zinc/67/59/88/1021675988.db2.gz STUNUHCJLISALV-QGZVFWFLSA-N 2 2 316.489 3.782 20 0 DHADLP COc1ccc2[nH+]ccc(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000892911003 1021677578 /nfs/dbraw/zinc/67/75/78/1021677578.db2.gz HSIXGWUWHWQDJC-KUHUBIRLSA-N 2 2 322.412 3.527 20 0 DHADLP COc1ccccc1[C@@H](C)[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129340 1032998031 /nfs/dbraw/zinc/99/80/31/1032998031.db2.gz YJWATSQUBVMMMF-NCOADZHNSA-N 2 2 302.462 3.703 20 0 DHADLP COc1ccccc1[C@@H](C)[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129340 1032998052 /nfs/dbraw/zinc/99/80/52/1032998052.db2.gz YJWATSQUBVMMMF-NCOADZHNSA-N 2 2 302.462 3.703 20 0 DHADLP COc1ccccc1[C@@H](C)[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129340 1032998071 /nfs/dbraw/zinc/99/80/71/1032998071.db2.gz YJWATSQUBVMMMF-NCOADZHNSA-N 2 2 302.462 3.703 20 0 DHADLP COc1ccccc1[C@@H](C)[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129340 1032998087 /nfs/dbraw/zinc/99/80/87/1032998087.db2.gz YJWATSQUBVMMMF-NCOADZHNSA-N 2 2 302.462 3.703 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)C2 ZINC001172106020 1033005428 /nfs/dbraw/zinc/00/54/28/1033005428.db2.gz MJMQUBMNNZYQAA-WERVVEIQSA-N 2 2 321.468 3.776 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)C2 ZINC001172106020 1033005437 /nfs/dbraw/zinc/00/54/37/1033005437.db2.gz MJMQUBMNNZYQAA-WERVVEIQSA-N 2 2 321.468 3.776 20 0 DHADLP CCCSC[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000893080131 1021884487 /nfs/dbraw/zinc/88/44/87/1021884487.db2.gz NCSNIQKFFCNLHZ-NVXWUHKLSA-N 2 2 317.502 3.825 20 0 DHADLP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000178587212 1021975600 /nfs/dbraw/zinc/97/56/00/1021975600.db2.gz UVIVPZJESPDWFE-LBPRGKRZSA-N 2 2 312.442 3.796 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[N@@H+]1C ZINC000179590400 1022067332 /nfs/dbraw/zinc/06/73/32/1022067332.db2.gz LDQYJZZHPCKUFA-CQDKDKBSSA-N 2 2 318.358 3.892 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[N@H+]1C ZINC000179590400 1022067350 /nfs/dbraw/zinc/06/73/50/1022067350.db2.gz LDQYJZZHPCKUFA-CQDKDKBSSA-N 2 2 318.358 3.892 20 0 DHADLP Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000390252634 1022069604 /nfs/dbraw/zinc/06/96/04/1022069604.db2.gz MMJBGGNVMBYZNI-STQMWFEESA-N 2 2 310.401 3.889 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc1C ZINC000414166778 1022174810 /nfs/dbraw/zinc/17/48/10/1022174810.db2.gz ODJAGOWNKJEIPG-QUCCMNQESA-N 2 2 309.457 3.624 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)nc1C ZINC000414166778 1022174812 /nfs/dbraw/zinc/17/48/12/1022174812.db2.gz ODJAGOWNKJEIPG-QUCCMNQESA-N 2 2 309.457 3.624 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(C(C)C)c2)cn1 ZINC000853084036 1022216335 /nfs/dbraw/zinc/21/63/35/1022216335.db2.gz BUKIWBMTOKCDRE-UHFFFAOYSA-N 2 2 320.440 3.989 20 0 DHADLP Cc1cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c2cc[nH]c21 ZINC001169151441 1022282315 /nfs/dbraw/zinc/28/23/15/1022282315.db2.gz JSGQINJVZZBDKC-SCLBCKFNSA-N 2 2 300.450 3.827 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000154628005 1022314888 /nfs/dbraw/zinc/31/48/88/1022314888.db2.gz XGXYUSJGBBZPFA-WBVHZDCISA-N 2 2 320.477 3.619 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000154628005 1022314896 /nfs/dbraw/zinc/31/48/96/1022314896.db2.gz XGXYUSJGBBZPFA-WBVHZDCISA-N 2 2 320.477 3.619 20 0 DHADLP CC[NH+]1CCC([N@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC001169245459 1022322400 /nfs/dbraw/zinc/32/24/00/1022322400.db2.gz DZPDYGGHIMVNNR-UHFFFAOYSA-N 2 2 304.865 3.913 20 0 DHADLP CC[NH+]1CCC([N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC001169245459 1022322412 /nfs/dbraw/zinc/32/24/12/1022322412.db2.gz DZPDYGGHIMVNNR-UHFFFAOYSA-N 2 2 304.865 3.913 20 0 DHADLP Fc1ccc(SCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000659999112 1022328299 /nfs/dbraw/zinc/32/82/99/1022328299.db2.gz NQKKGHAMZSOSCG-UHFFFAOYSA-N 2 2 323.412 3.660 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000268796700 1022380740 /nfs/dbraw/zinc/38/07/40/1022380740.db2.gz GFCLSHCZBFJRDH-RYUDHWBXSA-N 2 2 313.323 3.521 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000155978571 1022429057 /nfs/dbraw/zinc/42/90/57/1022429057.db2.gz IILMNRNSFIEUBA-YLJYHZDGSA-N 2 2 309.457 3.787 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000155978571 1022429060 /nfs/dbraw/zinc/42/90/60/1022429060.db2.gz IILMNRNSFIEUBA-YLJYHZDGSA-N 2 2 309.457 3.787 20 0 DHADLP Fc1ccc(SCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000660075633 1022433506 /nfs/dbraw/zinc/43/35/06/1022433506.db2.gz BYBLEQBFAFMIMB-GFCCVEGCSA-N 2 2 323.412 3.660 20 0 DHADLP Fc1ccc(SCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000660075633 1022433513 /nfs/dbraw/zinc/43/35/13/1022433513.db2.gz BYBLEQBFAFMIMB-GFCCVEGCSA-N 2 2 323.412 3.660 20 0 DHADLP CSc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000660149311 1022577720 /nfs/dbraw/zinc/57/77/20/1022577720.db2.gz WWJPFBDMYIBQIZ-UHFFFAOYSA-N 2 2 313.470 3.880 20 0 DHADLP Fc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1Cl ZINC001168358902 1033066251 /nfs/dbraw/zinc/06/62/51/1033066251.db2.gz WYJDOSVDZVRIPJ-UHFFFAOYSA-N 2 2 314.807 3.582 20 0 DHADLP CCC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccn1 ZINC000158601067 1022647924 /nfs/dbraw/zinc/64/79/24/1022647924.db2.gz FFGYFWPBMBGVMN-LJQANCHMSA-N 2 2 320.440 3.957 20 0 DHADLP c1cn(CCC[NH+]2CCC(c3ccnc4ccccc43)CC2)c[nH+]1 ZINC000584847331 1022807978 /nfs/dbraw/zinc/80/79/78/1022807978.db2.gz KLTJVXCSWAEHQG-UHFFFAOYSA-N 2 2 320.440 3.701 20 0 DHADLP CCn1c[nH+]cc1CNc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000417821772 1022863256 /nfs/dbraw/zinc/86/32/56/1022863256.db2.gz WCVVNRCBUVKVRA-MRXNPFEDSA-N 2 2 312.461 3.747 20 0 DHADLP CCn1c[nH+]cc1CNc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000417821772 1022863271 /nfs/dbraw/zinc/86/32/71/1022863271.db2.gz WCVVNRCBUVKVRA-MRXNPFEDSA-N 2 2 312.461 3.747 20 0 DHADLP ClC1(Cl)C[C@H]1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000856805913 1022871583 /nfs/dbraw/zinc/87/15/83/1022871583.db2.gz YXZXDMPVGSTJAJ-SNVBAGLBSA-N 2 2 316.257 3.607 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc2c(c1)CCCO2 ZINC000768087306 1022879557 /nfs/dbraw/zinc/87/95/57/1022879557.db2.gz NJQDINKTQZYQRA-ZWKOTPCHSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc2c(c1)CCCO2 ZINC000768087306 1022879571 /nfs/dbraw/zinc/87/95/71/1022879571.db2.gz NJQDINKTQZYQRA-ZWKOTPCHSA-N 2 2 302.462 3.537 20 0 DHADLP FC(F)(F)[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925641754 1022927146 /nfs/dbraw/zinc/92/71/46/1022927146.db2.gz APSWGDVPMNCDOO-CABCVRRESA-N 2 2 312.379 3.597 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319232921 1022936815 /nfs/dbraw/zinc/93/68/15/1022936815.db2.gz OXFKPPSPJZFZKI-WMLDXEAASA-N 2 2 303.425 3.658 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000768518115 1022988517 /nfs/dbraw/zinc/98/85/17/1022988517.db2.gz RPSSHWPRYWTQGK-DJIMGWMZSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000768518115 1022988528 /nfs/dbraw/zinc/98/85/28/1022988528.db2.gz RPSSHWPRYWTQGK-DJIMGWMZSA-N 2 2 308.416 3.674 20 0 DHADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2sccc2Br)C1 ZINC000250210258 1023072327 /nfs/dbraw/zinc/07/23/27/1023072327.db2.gz CMMNYTXBTCBONU-GHMZBOCLSA-N 2 2 317.296 3.503 20 0 DHADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2sccc2Br)C1 ZINC000250210258 1023072320 /nfs/dbraw/zinc/07/23/20/1023072320.db2.gz CMMNYTXBTCBONU-GHMZBOCLSA-N 2 2 317.296 3.503 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000364353952 1023076727 /nfs/dbraw/zinc/07/67/27/1023076727.db2.gz NWCDINOLMBZLMF-MSOLQXFVSA-N 2 2 319.493 3.585 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000364353952 1023076735 /nfs/dbraw/zinc/07/67/35/1023076735.db2.gz NWCDINOLMBZLMF-MSOLQXFVSA-N 2 2 319.493 3.585 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2N2CCCCC2)CC[N@@H+]1C ZINC000769484209 1023153074 /nfs/dbraw/zinc/15/30/74/1023153074.db2.gz GIWHXAZKEKGQSA-MJGOQNOKSA-N 2 2 315.505 3.591 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2N2CCCCC2)CC[N@H+]1C ZINC000769484209 1023153076 /nfs/dbraw/zinc/15/30/76/1023153076.db2.gz GIWHXAZKEKGQSA-MJGOQNOKSA-N 2 2 315.505 3.591 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2N2CCCCC2)CC[NH+]1C ZINC000769484209 1023153083 /nfs/dbraw/zinc/15/30/83/1023153083.db2.gz GIWHXAZKEKGQSA-MJGOQNOKSA-N 2 2 315.505 3.591 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2N2CCCCC2)CC[NH+]1C ZINC000769484209 1023153084 /nfs/dbraw/zinc/15/30/84/1023153084.db2.gz GIWHXAZKEKGQSA-MJGOQNOKSA-N 2 2 315.505 3.591 20 0 DHADLP Cc1ccc2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2n1 ZINC000322763500 1023161202 /nfs/dbraw/zinc/16/12/02/1023161202.db2.gz GXPYRCMRMROYLD-PMACEKPBSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1ccc2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2n1 ZINC000322763500 1023161211 /nfs/dbraw/zinc/16/12/11/1023161211.db2.gz GXPYRCMRMROYLD-PMACEKPBSA-N 2 2 309.457 3.650 20 0 DHADLP C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000769520784 1023173383 /nfs/dbraw/zinc/17/33/83/1023173383.db2.gz ZMSFLRKJAQXTKQ-HZPDHXFCSA-N 2 2 306.413 3.549 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1N(C)C ZINC000769684362 1023188546 /nfs/dbraw/zinc/18/85/46/1023188546.db2.gz LVVXHXBWRMSIAZ-MAUKXSAKSA-N 2 2 314.477 3.715 20 0 DHADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000769871069 1023235080 /nfs/dbraw/zinc/23/50/80/1023235080.db2.gz XMEWZEUWENZJID-CQSZACIVSA-N 2 2 307.482 3.851 20 0 DHADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000769871069 1023235087 /nfs/dbraw/zinc/23/50/87/1023235087.db2.gz XMEWZEUWENZJID-CQSZACIVSA-N 2 2 307.482 3.851 20 0 DHADLP COc1ccsc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000769964088 1023247304 /nfs/dbraw/zinc/24/73/04/1023247304.db2.gz WVPOPPLVOCKGRQ-TZMCWYRMSA-N 2 2 307.463 3.719 20 0 DHADLP C(=C/c1ccccc1)\C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675022 1023376857 /nfs/dbraw/zinc/37/68/57/1023376857.db2.gz WFJJKXHYCCUDFR-KPKJPENVSA-N 2 2 306.453 3.954 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC4C[C@@H]5CC3C[C@H](C4)C5)cc2)c[nH+]1 ZINC000337674675 1033131162 /nfs/dbraw/zinc/13/11/62/1033131162.db2.gz WXNHLBGIJHJPHV-ZVBHREPYSA-N 2 2 307.441 3.883 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC4C[C@@H]5CC3C[C@H](C4)C5)cc2)c[nH+]1 ZINC000337674675 1033131172 /nfs/dbraw/zinc/13/11/72/1033131172.db2.gz WXNHLBGIJHJPHV-ZVBHREPYSA-N 2 2 307.441 3.883 20 0 DHADLP CC(C)OCCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651759669 1023523475 /nfs/dbraw/zinc/52/34/75/1023523475.db2.gz ZFKJZLLGNXTWFW-LJQANCHMSA-N 2 2 318.505 3.834 20 0 DHADLP CC(C)OCCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000651759669 1023523478 /nfs/dbraw/zinc/52/34/78/1023523478.db2.gz ZFKJZLLGNXTWFW-LJQANCHMSA-N 2 2 318.505 3.834 20 0 DHADLP CC[C@H](C)OCC[C@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001172362556 1033142474 /nfs/dbraw/zinc/14/24/74/1033142474.db2.gz UHBAVFQRSMPOND-IRXDYDNUSA-N 2 2 319.493 3.542 20 0 DHADLP CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000746599875 1023720552 /nfs/dbraw/zinc/72/05/52/1023720552.db2.gz DXUUJBKMBRRIHD-DKSSEZFCSA-N 2 2 313.445 3.727 20 0 DHADLP Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787283881 1023780194 /nfs/dbraw/zinc/78/01/94/1023780194.db2.gz GBMHMIWFTVXOKF-UZLBHIALSA-N 2 2 321.424 3.565 20 0 DHADLP Cc1[nH+]c2ccc(NCc3ccc(N)[nH+]c3C)cc2n1C(C)C ZINC001167786553 1023871459 /nfs/dbraw/zinc/87/14/59/1023871459.db2.gz UUSIBTKVIBXEJB-UHFFFAOYSA-N 2 2 309.417 3.823 20 0 DHADLP C[C@@H]1CC[C@@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2sccc21 ZINC000925750662 1023872135 /nfs/dbraw/zinc/87/21/35/1023872135.db2.gz UGVSHZQDJFGDSM-ZWNOBZJWSA-N 2 2 319.499 3.660 20 0 DHADLP C[C@@H]1CC[C@@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2sccc21 ZINC000925750662 1023872143 /nfs/dbraw/zinc/87/21/43/1023872143.db2.gz UGVSHZQDJFGDSM-ZWNOBZJWSA-N 2 2 319.499 3.660 20 0 DHADLP CC1([NH+]2CCCCC2)CC[NH+](CCSc2ccncc2)CC1 ZINC000931610792 1023875998 /nfs/dbraw/zinc/87/59/98/1023875998.db2.gz HSWKNXVVLZXTLI-UHFFFAOYSA-N 2 2 319.518 3.514 20 0 DHADLP c1[nH+]c2n(c1CNc1cc(CCc3ccccc3)cc[nH+]1)CCC2 ZINC000663256968 1023977259 /nfs/dbraw/zinc/97/72/59/1023977259.db2.gz MQEDFEDZQZXGLM-UHFFFAOYSA-N 2 2 318.424 3.622 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194416059 1024002215 /nfs/dbraw/zinc/00/22/15/1024002215.db2.gz AISOTRSFHZDNIG-AWEZNQCLSA-N 2 2 319.474 3.567 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194416059 1024002230 /nfs/dbraw/zinc/00/22/30/1024002230.db2.gz AISOTRSFHZDNIG-AWEZNQCLSA-N 2 2 319.474 3.567 20 0 DHADLP Cc1ccoc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000266170621 1024036106 /nfs/dbraw/zinc/03/61/06/1024036106.db2.gz CAPCAICGPNSTKO-HNNXBMFYSA-N 2 2 304.459 3.651 20 0 DHADLP Cc1ccoc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000266170621 1024036123 /nfs/dbraw/zinc/03/61/23/1024036123.db2.gz CAPCAICGPNSTKO-HNNXBMFYSA-N 2 2 304.459 3.651 20 0 DHADLP CC(C)COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172469698 1033186141 /nfs/dbraw/zinc/18/61/41/1033186141.db2.gz VUHPLCCKMUHFOY-ICSRJNTNSA-N 2 2 318.505 3.692 20 0 DHADLP CC(C)COCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172469698 1033186150 /nfs/dbraw/zinc/18/61/50/1033186150.db2.gz VUHPLCCKMUHFOY-ICSRJNTNSA-N 2 2 318.505 3.692 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H]2CCC=CO2)CCCC1)c1ccccc1 ZINC000789743440 1024161115 /nfs/dbraw/zinc/16/11/15/1024161115.db2.gz ANLNRCNNOFJEAU-MJGOQNOKSA-N 2 2 314.473 3.932 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)COC2 ZINC000268800185 1024163476 /nfs/dbraw/zinc/16/34/76/1024163476.db2.gz AWSOCLAUEJDVJB-HNNXBMFYSA-N 2 2 319.408 3.753 20 0 DHADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000268851729 1024180330 /nfs/dbraw/zinc/18/03/30/1024180330.db2.gz WMPUGFLJUHWMGA-OCCSQVGLSA-N 2 2 309.360 3.614 20 0 DHADLP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000268861209 1024182210 /nfs/dbraw/zinc/18/22/10/1024182210.db2.gz SBCMQXFKXLCZRK-GOSISDBHSA-N 2 2 319.408 3.658 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000531535152 1024200963 /nfs/dbraw/zinc/20/09/63/1024200963.db2.gz BPAVCBWSPQUQEP-UHFFFAOYSA-N 2 2 310.441 3.546 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1OC(F)F ZINC000268976513 1024209859 /nfs/dbraw/zinc/20/98/59/1024209859.db2.gz HAUNWYNMGGORRW-ZDUSSCGKSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccnc1Cl ZINC000269068158 1024234639 /nfs/dbraw/zinc/23/46/39/1024234639.db2.gz MCHXJFBHJVCHFW-CYBMUJFWSA-N 2 2 307.869 3.793 20 0 DHADLP CCSc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000883236307 1024308397 /nfs/dbraw/zinc/30/83/97/1024308397.db2.gz YKAMARFKXANAJO-UHFFFAOYSA-N 2 2 321.515 3.607 20 0 DHADLP C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883255231 1024322345 /nfs/dbraw/zinc/32/23/45/1024322345.db2.gz PBZADTCIPVBZDZ-CYBMUJFWSA-N 2 2 305.372 3.958 20 0 DHADLP c1c[nH+]c(C2CC[NH+](Cc3cccc(-c4cccnc4)c3)CC2)[nH]1 ZINC000271198703 1024471410 /nfs/dbraw/zinc/47/14/10/1024471410.db2.gz PPKOSZPWHUITLC-UHFFFAOYSA-N 2 2 318.424 3.851 20 0 DHADLP c1ccc2ncc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000271253182 1024477307 /nfs/dbraw/zinc/47/73/07/1024477307.db2.gz FEDJYTBVAWCDOC-RXVVDRJESA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2ncc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000271253182 1024477313 /nfs/dbraw/zinc/47/73/13/1024477313.db2.gz FEDJYTBVAWCDOC-RXVVDRJESA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2c1 ZINC000271253182 1024477316 /nfs/dbraw/zinc/47/73/16/1024477316.db2.gz FEDJYTBVAWCDOC-RXVVDRJESA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2c1 ZINC000271253182 1024477317 /nfs/dbraw/zinc/47/73/17/1024477317.db2.gz FEDJYTBVAWCDOC-RXVVDRJESA-N 2 2 321.468 3.684 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000315336106 1024556830 /nfs/dbraw/zinc/55/68/30/1024556830.db2.gz DZHDENNXOVJGQB-OCCSQVGLSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000315336106 1024556835 /nfs/dbraw/zinc/55/68/35/1024556835.db2.gz DZHDENNXOVJGQB-OCCSQVGLSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC001170181615 1024683071 /nfs/dbraw/zinc/68/30/71/1024683071.db2.gz JSYYNJRCZPQJFF-MXEMCNAFSA-N 2 2 324.468 3.975 20 0 DHADLP CCc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000349359179 1024705088 /nfs/dbraw/zinc/70/50/88/1024705088.db2.gz ZDOIDAJDVNZSNW-UHFFFAOYSA-N 2 2 301.434 3.731 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000340353624 1024716908 /nfs/dbraw/zinc/71/69/08/1024716908.db2.gz ZTZQIUBTIYOYEB-GDIGMMSISA-N 2 2 313.420 3.707 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000340353624 1024716919 /nfs/dbraw/zinc/71/69/19/1024716919.db2.gz ZTZQIUBTIYOYEB-GDIGMMSISA-N 2 2 313.420 3.707 20 0 DHADLP CCc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000349406422 1024717133 /nfs/dbraw/zinc/71/71/33/1024717133.db2.gz LIIBHBXOUIKPFY-UHFFFAOYSA-N 2 2 312.461 3.533 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1C1CCCCC1 ZINC000349416725 1024717442 /nfs/dbraw/zinc/71/74/42/1024717442.db2.gz LIUDOGWQXSPZKW-UHFFFAOYSA-N 2 2 320.525 3.632 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1C1CCCCC1 ZINC000349416725 1024717449 /nfs/dbraw/zinc/71/74/49/1024717449.db2.gz LIUDOGWQXSPZKW-UHFFFAOYSA-N 2 2 320.525 3.632 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)CC2 ZINC000321261749 1024730831 /nfs/dbraw/zinc/73/08/31/1024730831.db2.gz ZDFZYYAHBUMKJE-ROUUACIJSA-N 2 2 313.445 3.584 20 0 DHADLP CC[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001170281207 1024734863 /nfs/dbraw/zinc/73/48/63/1024734863.db2.gz YBWSHFIOSWXJGR-ZWKOTPCHSA-N 2 2 316.489 3.529 20 0 DHADLP CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001170281207 1024734873 /nfs/dbraw/zinc/73/48/73/1024734873.db2.gz YBWSHFIOSWXJGR-ZWKOTPCHSA-N 2 2 316.489 3.529 20 0 DHADLP C[C@H](Cc1ccccc1Cl)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001170283965 1024735920 /nfs/dbraw/zinc/73/59/20/1024735920.db2.gz CIDUTAJMMNNLFV-UKRRQHHQSA-N 2 2 303.837 3.807 20 0 DHADLP Clc1cccc(OCCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111244334 1024749621 /nfs/dbraw/zinc/74/96/21/1024749621.db2.gz FSHNGZWXZXCYEK-UHFFFAOYSA-N 2 2 319.836 3.643 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C12CCCC2 ZINC000321335974 1024821356 /nfs/dbraw/zinc/82/13/56/1024821356.db2.gz QLFAXVSPBNUUEX-GVDBMIGSSA-N 2 2 319.493 3.625 20 0 DHADLP Cc1cccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1F ZINC000648462555 1024850470 /nfs/dbraw/zinc/85/04/70/1024850470.db2.gz JOUICTAUGBMMRP-GOSISDBHSA-N 2 2 323.415 3.941 20 0 DHADLP Cc1cccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1F ZINC000648462556 1024851314 /nfs/dbraw/zinc/85/13/14/1024851314.db2.gz JOUICTAUGBMMRP-SFHVURJKSA-N 2 2 323.415 3.941 20 0 DHADLP Cc1occc1C[NH+](C)[C@@H](C)CC[N@H+](C)Cc1ccoc1C ZINC000434715573 1024938461 /nfs/dbraw/zinc/93/84/61/1024938461.db2.gz ZYMXOIAGTVJYMI-AWEZNQCLSA-N 2 2 304.434 3.832 20 0 DHADLP Cc1occc1C[NH+](C)[C@@H](C)CC[N@@H+](C)Cc1ccoc1C ZINC000434715573 1024938466 /nfs/dbraw/zinc/93/84/66/1024938466.db2.gz ZYMXOIAGTVJYMI-AWEZNQCLSA-N 2 2 304.434 3.832 20 0 DHADLP Cc1occc1C[NH+](C)CC[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000434715573 1024938472 /nfs/dbraw/zinc/93/84/72/1024938472.db2.gz ZYMXOIAGTVJYMI-AWEZNQCLSA-N 2 2 304.434 3.832 20 0 DHADLP Cc1occc1C[NH+](C)CC[C@H](C)[N@@H+](C)Cc1ccoc1C ZINC000434715573 1024938482 /nfs/dbraw/zinc/93/84/82/1024938482.db2.gz ZYMXOIAGTVJYMI-AWEZNQCLSA-N 2 2 304.434 3.832 20 0 DHADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119661600 1024986969 /nfs/dbraw/zinc/98/69/69/1024986969.db2.gz QLUMVYPRCXAUAC-KRWDZBQOSA-N 2 2 320.864 3.770 20 0 DHADLP Cc1sccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000353355101 1025037762 /nfs/dbraw/zinc/03/77/62/1025037762.db2.gz SFYLVNFVXWPUCN-INIZCTEOSA-N 2 2 315.486 3.969 20 0 DHADLP Cc1sccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000353355101 1025037773 /nfs/dbraw/zinc/03/77/73/1025037773.db2.gz SFYLVNFVXWPUCN-INIZCTEOSA-N 2 2 315.486 3.969 20 0 DHADLP FCC[C@@H]1CCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000353443992 1025070439 /nfs/dbraw/zinc/07/04/39/1025070439.db2.gz FDQITWYTJCUCOE-ROUUACIJSA-N 2 2 315.436 3.592 20 0 DHADLP c1coc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000353529621 1025111324 /nfs/dbraw/zinc/11/13/24/1025111324.db2.gz JPDXOWCJGLWHMN-FQEVSTJZSA-N 2 2 310.441 3.768 20 0 DHADLP c1coc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000353529621 1025111326 /nfs/dbraw/zinc/11/13/26/1025111326.db2.gz JPDXOWCJGLWHMN-FQEVSTJZSA-N 2 2 310.441 3.768 20 0 DHADLP c1coc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000353529621 1025111330 /nfs/dbraw/zinc/11/13/30/1025111330.db2.gz JPDXOWCJGLWHMN-FQEVSTJZSA-N 2 2 310.441 3.768 20 0 DHADLP c1coc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000353529621 1025111332 /nfs/dbraw/zinc/11/13/32/1025111332.db2.gz JPDXOWCJGLWHMN-FQEVSTJZSA-N 2 2 310.441 3.768 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000353594080 1025146264 /nfs/dbraw/zinc/14/62/64/1025146264.db2.gz FQCRXTXFSYOEAT-OAHLLOKOSA-N 2 2 309.388 3.921 20 0 DHADLP Clc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353607006 1025149420 /nfs/dbraw/zinc/14/94/20/1025149420.db2.gz FZFCIVUJWKRYJV-XHDPSFHLSA-N 2 2 301.821 3.588 20 0 DHADLP CCC1([NH+]2CCC2)CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000884717230 1025237530 /nfs/dbraw/zinc/23/75/30/1025237530.db2.gz WCAITFSJGNMDGO-UHFFFAOYSA-N 2 2 313.420 3.829 20 0 DHADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)nc2ccccc12 ZINC000228179660 1025255963 /nfs/dbraw/zinc/25/59/63/1025255963.db2.gz KFNKCZFRUFNLQR-DGCLKSJQSA-N 2 2 303.837 3.508 20 0 DHADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)nc2ccccc12 ZINC000228179660 1025255975 /nfs/dbraw/zinc/25/59/75/1025255975.db2.gz KFNKCZFRUFNLQR-DGCLKSJQSA-N 2 2 303.837 3.508 20 0 DHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(C3CCC3)s2)C1 ZINC000354101831 1025349934 /nfs/dbraw/zinc/34/99/34/1025349934.db2.gz WRYOUTBPPINZTQ-HNNXBMFYSA-N 2 2 319.518 3.574 20 0 DHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(C3CCC3)s2)C1 ZINC000354101831 1025349949 /nfs/dbraw/zinc/34/99/49/1025349949.db2.gz WRYOUTBPPINZTQ-HNNXBMFYSA-N 2 2 319.518 3.574 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000354101831 1025349965 /nfs/dbraw/zinc/34/99/65/1025349965.db2.gz WRYOUTBPPINZTQ-HNNXBMFYSA-N 2 2 319.518 3.574 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000354101831 1025349978 /nfs/dbraw/zinc/34/99/78/1025349978.db2.gz WRYOUTBPPINZTQ-HNNXBMFYSA-N 2 2 319.518 3.574 20 0 DHADLP CC[N@H+](C/C(Cl)=C/Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997747 1033280743 /nfs/dbraw/zinc/28/07/43/1033280743.db2.gz WMNOXFBPBMPODR-DHDCSXOGSA-N 2 2 301.261 3.889 20 0 DHADLP CC[N@@H+](C/C(Cl)=C/Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997747 1033280748 /nfs/dbraw/zinc/28/07/48/1033280748.db2.gz WMNOXFBPBMPODR-DHDCSXOGSA-N 2 2 301.261 3.889 20 0 DHADLP C[C@H](C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1)C(F)(F)F ZINC000539117915 1033280731 /nfs/dbraw/zinc/28/07/31/1033280731.db2.gz VVNZCTCDQMSRRM-CYBMUJFWSA-N 2 2 302.384 3.685 20 0 DHADLP C[C@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1)C(F)(F)F ZINC000539117915 1033280740 /nfs/dbraw/zinc/28/07/40/1033280740.db2.gz VVNZCTCDQMSRRM-CYBMUJFWSA-N 2 2 302.384 3.685 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000123779179 1025397338 /nfs/dbraw/zinc/39/73/38/1025397338.db2.gz GNOLQLXJMMRUMT-OAHLLOKOSA-N 2 2 303.837 3.528 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000123779179 1025397351 /nfs/dbraw/zinc/39/73/51/1025397351.db2.gz GNOLQLXJMMRUMT-OAHLLOKOSA-N 2 2 303.837 3.528 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885935914 1025412346 /nfs/dbraw/zinc/41/23/46/1025412346.db2.gz VUSSGZVKWXAILN-SJORKVTESA-N 2 2 319.493 3.769 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886502795 1025658778 /nfs/dbraw/zinc/65/87/78/1025658778.db2.gz OKWZBUYDUCSENY-YVEFUNNKSA-N 2 2 312.392 3.559 20 0 DHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000886528248 1025681351 /nfs/dbraw/zinc/68/13/51/1025681351.db2.gz JDWPBZHBJLTGKP-OXJNMPFZSA-N 2 2 321.468 3.884 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3cc(F)ccc3F)CC2)[nH+]c1C ZINC000886664805 1025769552 /nfs/dbraw/zinc/76/95/52/1025769552.db2.gz YATHJUOQYUUWLL-UHFFFAOYSA-N 2 2 305.372 3.684 20 0 DHADLP CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000806151630 1025809667 /nfs/dbraw/zinc/80/96/67/1025809667.db2.gz OHKWZQYOVQONMQ-BEFAXECRSA-N 2 2 301.478 3.818 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000886710979 1025822914 /nfs/dbraw/zinc/82/29/14/1025822914.db2.gz KPIQQVROCGIOCQ-UHFFFAOYSA-N 2 2 324.415 3.738 20 0 DHADLP c1cn(-c2csc(C[N@H+](CC3CC3)CC3CCC3)c2)c[nH+]1 ZINC000355731543 1025824340 /nfs/dbraw/zinc/82/43/40/1025824340.db2.gz OKWAKUIXSIRKBW-UHFFFAOYSA-N 2 2 301.459 3.946 20 0 DHADLP c1cn(-c2csc(C[N@@H+](CC3CC3)CC3CCC3)c2)c[nH+]1 ZINC000355731543 1025824355 /nfs/dbraw/zinc/82/43/55/1025824355.db2.gz OKWAKUIXSIRKBW-UHFFFAOYSA-N 2 2 301.459 3.946 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000886717885 1025825944 /nfs/dbraw/zinc/82/59/44/1025825944.db2.gz LETHYWPSMNIAQH-UHFFFAOYSA-N 2 2 314.473 3.600 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000886718328 1025831137 /nfs/dbraw/zinc/83/11/37/1025831137.db2.gz XEUZNSNVBMPXAU-UHFFFAOYSA-N 2 2 309.457 3.685 20 0 DHADLP CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000177371898 1025945503 /nfs/dbraw/zinc/94/55/03/1025945503.db2.gz XUTJURZXYDDZFJ-LJQANCHMSA-N 2 2 313.445 3.509 20 0 DHADLP CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000177371898 1025945515 /nfs/dbraw/zinc/94/55/15/1025945515.db2.gz XUTJURZXYDDZFJ-LJQANCHMSA-N 2 2 313.445 3.509 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cscc2C(F)(F)F)[C@@H](C)C1 ZINC000356109401 1025947616 /nfs/dbraw/zinc/94/76/16/1025947616.db2.gz KLYNDXTUQXGVFO-SMDDNHRTSA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cscc2C(F)(F)F)[C@@H](C)C1 ZINC000356109401 1025947623 /nfs/dbraw/zinc/94/76/23/1025947623.db2.gz KLYNDXTUQXGVFO-SMDDNHRTSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cscc2C(F)(F)F)[C@@H](C)C1 ZINC000356109401 1025947639 /nfs/dbraw/zinc/94/76/39/1025947639.db2.gz KLYNDXTUQXGVFO-SMDDNHRTSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cscc2C(F)(F)F)[C@@H](C)C1 ZINC000356109401 1025947646 /nfs/dbraw/zinc/94/76/46/1025947646.db2.gz KLYNDXTUQXGVFO-SMDDNHRTSA-N 2 2 320.424 3.929 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000194472380 1025963722 /nfs/dbraw/zinc/96/37/22/1025963722.db2.gz XGTJQJJJPWATFY-GFCCVEGCSA-N 2 2 309.866 3.590 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2sccc2Cl)C1 ZINC000194472380 1025963733 /nfs/dbraw/zinc/96/37/33/1025963733.db2.gz XGTJQJJJPWATFY-GFCCVEGCSA-N 2 2 309.866 3.590 20 0 DHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncs1 ZINC000283047774 1025999542 /nfs/dbraw/zinc/99/95/42/1025999542.db2.gz RXCGEMVJDOZRGT-KRWDZBQOSA-N 2 2 315.486 3.533 20 0 DHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncs1 ZINC000283047774 1025999556 /nfs/dbraw/zinc/99/95/56/1025999556.db2.gz RXCGEMVJDOZRGT-KRWDZBQOSA-N 2 2 315.486 3.533 20 0 DHADLP FC(F)(F)c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000051925339 1026051108 /nfs/dbraw/zinc/05/11/08/1026051108.db2.gz VGNDNOFWYZYUGF-UHFFFAOYSA-N 2 2 312.379 3.766 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000356826780 1026185518 /nfs/dbraw/zinc/18/55/18/1026185518.db2.gz BNWWNAZALHCORI-INIZCTEOSA-N 2 2 320.440 3.740 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000356866076 1026199835 /nfs/dbraw/zinc/19/98/35/1026199835.db2.gz LPXWMCQBBQAQFC-HNNXBMFYSA-N 2 2 306.413 3.681 20 0 DHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000289974127 1026258929 /nfs/dbraw/zinc/25/89/29/1026258929.db2.gz JHFFLOLRZGUSFS-ZDUSSCGKSA-N 2 2 306.479 3.544 20 0 DHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000289974127 1026258947 /nfs/dbraw/zinc/25/89/47/1026258947.db2.gz JHFFLOLRZGUSFS-ZDUSSCGKSA-N 2 2 306.479 3.544 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]C2CC(c3ccccc3)C2)c[nH+]1 ZINC000290100490 1026316187 /nfs/dbraw/zinc/31/61/87/1026316187.db2.gz HRJJJPLKDCAJQP-UHFFFAOYSA-N 2 2 317.436 3.967 20 0 DHADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000513544180 1026537905 /nfs/dbraw/zinc/53/79/05/1026537905.db2.gz DZIVCRQLMGHQNX-IDKBZEPQSA-N 2 2 324.921 3.770 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccccc1-c1ccccc1)C2 ZINC000810171053 1026691828 /nfs/dbraw/zinc/69/18/28/1026691828.db2.gz DVLFFQJGLDMPFC-KRWDZBQOSA-N 2 2 303.409 3.724 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421336566 1026960870 /nfs/dbraw/zinc/96/08/70/1026960870.db2.gz AMEZILGUJFKTKW-KRWDZBQOSA-N 2 2 309.457 3.752 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421336566 1026960876 /nfs/dbraw/zinc/96/08/76/1026960876.db2.gz AMEZILGUJFKTKW-KRWDZBQOSA-N 2 2 309.457 3.752 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccncc1Cl ZINC000421822012 1027057464 /nfs/dbraw/zinc/05/74/64/1027057464.db2.gz VIRZEIAUFGMYCC-OAHLLOKOSA-N 2 2 317.864 3.908 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccncc1Cl ZINC000421822012 1027057469 /nfs/dbraw/zinc/05/74/69/1027057469.db2.gz VIRZEIAUFGMYCC-OAHLLOKOSA-N 2 2 317.864 3.908 20 0 DHADLP Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(C)n1 ZINC000421896434 1027083587 /nfs/dbraw/zinc/08/35/87/1027083587.db2.gz ZMYNNXCSHCXVLT-INIZCTEOSA-N 2 2 306.413 3.735 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCC[C@H]1CCc1ccccc1)C2 ZINC000571572737 1027133810 /nfs/dbraw/zinc/13/38/10/1027133810.db2.gz GWFTUKOFXJTBSM-KSZLIROESA-N 2 2 309.457 3.658 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)c2ccccc21 ZINC000573197603 1027271074 /nfs/dbraw/zinc/27/10/74/1027271074.db2.gz LOFFOPDXQOOPCP-RTBURBONSA-N 2 2 323.440 3.637 20 0 DHADLP Cc1sc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)nc1C(C)C ZINC000422718053 1027301561 /nfs/dbraw/zinc/30/15/61/1027301561.db2.gz WKPZFPNTBVGLHU-UKRRQHHQSA-N 2 2 309.523 3.975 20 0 DHADLP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000422743005 1027309137 /nfs/dbraw/zinc/30/91/37/1027309137.db2.gz SSCODFHTILUPKR-QUCCMNQESA-N 3 2 317.521 3.567 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+][C@H](C)[C@H]3CCC[NH2+]3)cc2)cs1 ZINC000422808018 1027331721 /nfs/dbraw/zinc/33/17/21/1027331721.db2.gz PRINSDFRSUNLIG-OGHNNQOOSA-N 2 2 315.486 3.910 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1COCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422867710 1027343218 /nfs/dbraw/zinc/34/32/18/1027343218.db2.gz SZLJHLGOSXNPCI-UWJYYQICSA-N 2 2 324.468 3.634 20 0 DHADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422884282 1027349447 /nfs/dbraw/zinc/34/94/47/1027349447.db2.gz DRBNGEMHSRHIKT-OGHNNQOOSA-N 2 2 303.837 3.540 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnoc2C2CC2)C1 ZINC000362752282 1027371232 /nfs/dbraw/zinc/37/12/32/1027371232.db2.gz FNHRMLCUTLZQSK-HOTGVXAUSA-N 2 2 317.477 3.638 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnoc2C2CC2)C1 ZINC000362752282 1027371240 /nfs/dbraw/zinc/37/12/40/1027371240.db2.gz FNHRMLCUTLZQSK-HOTGVXAUSA-N 2 2 317.477 3.638 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnoc2C2CC2)C1 ZINC000362752282 1027371249 /nfs/dbraw/zinc/37/12/49/1027371249.db2.gz FNHRMLCUTLZQSK-HOTGVXAUSA-N 2 2 317.477 3.638 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnoc2C2CC2)C1 ZINC000362752282 1027371266 /nfs/dbraw/zinc/37/12/66/1027371266.db2.gz FNHRMLCUTLZQSK-HOTGVXAUSA-N 2 2 317.477 3.638 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000812716709 1027374050 /nfs/dbraw/zinc/37/40/50/1027374050.db2.gz DTAYFPHKSDVFDB-WMZOPIPTSA-N 2 2 313.445 3.671 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000422982274 1027386812 /nfs/dbraw/zinc/38/68/12/1027386812.db2.gz QDMCPRCAZULNJT-PVAVHDDUSA-N 2 2 300.471 3.762 20 0 DHADLP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000423079448 1027411579 /nfs/dbraw/zinc/41/15/79/1027411579.db2.gz ABYGFLWEWFQWJA-BZSNNMDCSA-N 2 2 316.832 3.762 20 0 DHADLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423123078 1027421400 /nfs/dbraw/zinc/42/14/00/1027421400.db2.gz LYWNWGDLOUKSEK-BPUTZDHNSA-N 2 2 314.395 3.528 20 0 DHADLP COc1ccc([C@@H]([NH2+]CCCC(C)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000423147770 1027430757 /nfs/dbraw/zinc/43/07/57/1027430757.db2.gz STTJTOUNGUVTDC-HZPDHXFCSA-N 2 2 312.404 3.513 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000295821885 1027446285 /nfs/dbraw/zinc/44/62/85/1027446285.db2.gz DIZMIENHEJDKMF-HOTGVXAUSA-N 2 2 322.412 3.810 20 0 DHADLP Fc1ccc2cc(C[NH2+]CCCCNc3cccc[nH+]3)[nH]c2c1 ZINC000362929153 1027449032 /nfs/dbraw/zinc/44/90/32/1027449032.db2.gz ADAUUQFZMJBJJH-UHFFFAOYSA-N 2 2 312.392 3.684 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362929266 1027449308 /nfs/dbraw/zinc/44/93/08/1027449308.db2.gz BQQIXNZTDWFPEX-INIZCTEOSA-N 2 2 313.489 3.919 20 0 DHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423193374 1027453484 /nfs/dbraw/zinc/45/34/84/1027453484.db2.gz QMFRPJKGGKAIKR-NHYWBVRUSA-N 2 2 319.449 3.660 20 0 DHADLP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000423232399 1027469274 /nfs/dbraw/zinc/46/92/74/1027469274.db2.gz CCRIXEUHNGTECD-QZTJIDSGSA-N 2 2 304.384 3.952 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(SCC(F)(F)F)cc1 ZINC000423246620 1027473244 /nfs/dbraw/zinc/47/32/44/1027473244.db2.gz ZNLYNIYCONBNHT-WCQYABFASA-N 2 2 318.408 3.744 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)c2cccc(CO)c2)cc1 ZINC000423254024 1027479503 /nfs/dbraw/zinc/47/95/03/1027479503.db2.gz ZPDIVVYFCWDEBL-FOIQADDNSA-N 2 2 312.457 3.653 20 0 DHADLP [NH3+][C@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)c1ccccc1 ZINC000423254609 1027479628 /nfs/dbraw/zinc/47/96/28/1027479628.db2.gz YRKJBPBAMHIBKA-IEBWSBKVSA-N 2 2 305.425 3.835 20 0 DHADLP COc1ccc2oc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)c2c1 ZINC000423272958 1027490519 /nfs/dbraw/zinc/49/05/19/1027490519.db2.gz ZRVNWYOKJBIKRH-ZIAGYGMSSA-N 2 2 304.434 3.774 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423302303 1027504150 /nfs/dbraw/zinc/50/41/50/1027504150.db2.gz VKAYCIHQZYZHQK-CMPLNLGQSA-N 2 2 304.356 3.595 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1csc(-c2ccccc2)n1 ZINC000423358504 1027521365 /nfs/dbraw/zinc/52/13/65/1027521365.db2.gz NPSUIHXZLWPAST-DZGCQCFKSA-N 2 2 301.459 3.603 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000423371579 1027524098 /nfs/dbraw/zinc/52/40/98/1027524098.db2.gz ALPWCJWEFIFGNF-BXUZGUMPSA-N 2 2 304.356 3.624 20 0 DHADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423454652 1027565165 /nfs/dbraw/zinc/56/51/65/1027565165.db2.gz ZHTLVASGWIDQOJ-DCGLDWPTSA-N 2 2 320.383 3.703 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423495658 1027573196 /nfs/dbraw/zinc/57/31/96/1027573196.db2.gz CIFCHKLTVHTQKA-AZUAARDMSA-N 2 2 309.457 3.785 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423515961 1027577662 /nfs/dbraw/zinc/57/76/62/1027577662.db2.gz XRQHHDJKPAARKI-WOJBJXKFSA-N 2 2 309.457 3.775 20 0 DHADLP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576197437 1027581540 /nfs/dbraw/zinc/58/15/40/1027581540.db2.gz DTIPMTCFHNQGDJ-DUVNUKRYSA-N 2 2 315.848 3.846 20 0 DHADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576554784 1027631982 /nfs/dbraw/zinc/63/19/82/1027631982.db2.gz BWXIDNIXPWNYSF-GHMZBOCLSA-N 2 2 309.866 3.593 20 0 DHADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCc1c(Cl)cccc1Cl ZINC000576766527 1027658125 /nfs/dbraw/zinc/65/81/25/1027658125.db2.gz YUOPPHLQHXLVCN-NEPJUHHUSA-N 2 2 301.261 3.738 20 0 DHADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1c(Cl)cccc1Cl ZINC000576766527 1027658133 /nfs/dbraw/zinc/65/81/33/1027658133.db2.gz YUOPPHLQHXLVCN-NEPJUHHUSA-N 2 2 301.261 3.738 20 0 DHADLP FC(F)(F)c1sccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000527641955 1027802142 /nfs/dbraw/zinc/80/21/42/1027802142.db2.gz QMBYQXIMWFWVFV-UHFFFAOYSA-N 2 2 318.408 3.731 20 0 DHADLP c1ccc2c(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)ccnc2c1 ZINC000527753311 1027878968 /nfs/dbraw/zinc/87/89/68/1027878968.db2.gz UFTMQXBDIJOFLS-SFHVURJKSA-N 2 2 309.457 3.731 20 0 DHADLP c1ccc2c(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)ccnc2c1 ZINC000527753311 1027878987 /nfs/dbraw/zinc/87/89/87/1027878987.db2.gz UFTMQXBDIJOFLS-SFHVURJKSA-N 2 2 309.457 3.731 20 0 DHADLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc2cccnc12 ZINC000527813652 1027897486 /nfs/dbraw/zinc/89/74/86/1027897486.db2.gz ZAQJXMRZDXCIKB-LJQANCHMSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc2cccnc12 ZINC000527813652 1027897510 /nfs/dbraw/zinc/89/75/10/1027897510.db2.gz ZAQJXMRZDXCIKB-LJQANCHMSA-N 2 2 309.457 3.650 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527812630 1027899087 /nfs/dbraw/zinc/89/90/87/1027899087.db2.gz VOTHERBEPDRTCM-XUJLQICISA-N 2 2 318.427 3.962 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527812630 1027899108 /nfs/dbraw/zinc/89/91/08/1027899108.db2.gz VOTHERBEPDRTCM-XUJLQICISA-N 2 2 318.427 3.962 20 0 DHADLP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1Cl ZINC000365307118 1027920624 /nfs/dbraw/zinc/92/06/24/1027920624.db2.gz ARBXKUCTTYPCBB-RYUDHWBXSA-N 2 2 317.235 3.849 20 0 DHADLP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1Cl ZINC000365307118 1027920629 /nfs/dbraw/zinc/92/06/29/1027920629.db2.gz ARBXKUCTTYPCBB-RYUDHWBXSA-N 2 2 317.235 3.849 20 0 DHADLP CCC[N@H+](Cc1cccnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189475 1027923342 /nfs/dbraw/zinc/92/33/42/1027923342.db2.gz HHWYXBMWVORRRC-UHFFFAOYSA-N 2 2 323.484 3.958 20 0 DHADLP CCC[N@@H+](Cc1cccnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189475 1027923353 /nfs/dbraw/zinc/92/33/53/1027923353.db2.gz HHWYXBMWVORRRC-UHFFFAOYSA-N 2 2 323.484 3.958 20 0 DHADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000527899491 1027947487 /nfs/dbraw/zinc/94/74/87/1027947487.db2.gz DIBNYBRJKKVDRE-OCCSQVGLSA-N 2 2 301.821 3.804 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc2c(c1)COC2 ZINC000527946579 1027978160 /nfs/dbraw/zinc/97/81/60/1027978160.db2.gz HQJPJRDGJVKRLN-MGPUTAFESA-N 2 2 314.473 3.774 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc2c(c1)COC2 ZINC000527946579 1027978170 /nfs/dbraw/zinc/97/81/70/1027978170.db2.gz HQJPJRDGJVKRLN-MGPUTAFESA-N 2 2 314.473 3.774 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528008546 1028037812 /nfs/dbraw/zinc/03/78/12/1028037812.db2.gz FLIPRJOZWPGZNK-LPHOPBHVSA-N 2 2 316.489 3.623 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528008546 1028037832 /nfs/dbraw/zinc/03/78/32/1028037832.db2.gz FLIPRJOZWPGZNK-LPHOPBHVSA-N 2 2 316.489 3.623 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(OC)c1 ZINC000528010916 1028039414 /nfs/dbraw/zinc/03/94/14/1028039414.db2.gz KOKIJBXWNCCMIB-HKUYNNGSSA-N 2 2 302.462 3.753 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(OC)c1 ZINC000528010916 1028039425 /nfs/dbraw/zinc/03/94/25/1028039425.db2.gz KOKIJBXWNCCMIB-HKUYNNGSSA-N 2 2 302.462 3.753 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCSc3ccccc31)CCC2 ZINC000366212197 1028060638 /nfs/dbraw/zinc/06/06/38/1028060638.db2.gz VQJWDZGTWVQQCL-GDBMZVCRSA-N 2 2 313.470 3.896 20 0 DHADLP Cc1ccc(CC[C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000366227702 1028065449 /nfs/dbraw/zinc/06/54/49/1028065449.db2.gz DOBMENGZSJENKD-OAHLLOKOSA-N 2 2 313.445 3.563 20 0 DHADLP Cc1ccncc1C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000366452750 1028080991 /nfs/dbraw/zinc/08/09/91/1028080991.db2.gz VJLKSMAIEJVNIN-UHFFFAOYSA-N 2 2 315.505 3.865 20 0 DHADLP Cc1ccncc1C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000366452750 1028081012 /nfs/dbraw/zinc/08/10/12/1028081012.db2.gz VJLKSMAIEJVNIN-UHFFFAOYSA-N 2 2 315.505 3.865 20 0 DHADLP c1ccc(NCCCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)[nH+]c1 ZINC000367067219 1028133660 /nfs/dbraw/zinc/13/36/60/1028133660.db2.gz QUZHOMHVLIFPJX-HKUYNNGSSA-N 2 2 324.472 3.985 20 0 DHADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000563700398 1028172038 /nfs/dbraw/zinc/17/20/38/1028172038.db2.gz IMSJOKHDSSLXQY-KBPBESRZSA-N 2 2 319.474 3.804 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc12 ZINC000367999523 1028270850 /nfs/dbraw/zinc/27/08/50/1028270850.db2.gz WKSMULYWFNVALG-UONOGXRCSA-N 2 2 321.424 3.780 20 0 DHADLP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000449061467 1028296906 /nfs/dbraw/zinc/29/69/06/1028296906.db2.gz GFYBMADIBXAUAM-WMZOPIPTSA-N 2 2 317.864 3.928 20 0 DHADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368097882 1028297708 /nfs/dbraw/zinc/29/77/08/1028297708.db2.gz ACNRSOZQSVLCMJ-GDBMZVCRSA-N 2 2 313.445 3.653 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(SC(F)F)cc1 ZINC000368101982 1028298038 /nfs/dbraw/zinc/29/80/38/1028298038.db2.gz MDKWQLDZMCGFIW-JQWIXIFHSA-N 2 2 323.412 3.933 20 0 DHADLP Clc1ccc(C2=CC[C@@H]([NH2+]CCn3cc[nH+]c3)CC2)cc1 ZINC000449061406 1028299172 /nfs/dbraw/zinc/29/91/72/1028299172.db2.gz INJZQJQOJRGCJK-QGZVFWFLSA-N 2 2 301.821 3.762 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1OC(F)F ZINC000368101928 1028299229 /nfs/dbraw/zinc/29/92/29/1028299229.db2.gz LSQSUPAMMKEFNH-WCQYABFASA-N 2 2 321.371 3.609 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000368101766 1028300734 /nfs/dbraw/zinc/30/07/34/1028300734.db2.gz LEMNZPUJZHWSPO-TYNCELHUSA-N 2 2 303.837 3.702 20 0 DHADLP COCC1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000449065316 1028301214 /nfs/dbraw/zinc/30/12/14/1028301214.db2.gz YTLQOZOOFHWYJH-KLHKWILBSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103922 1028304699 /nfs/dbraw/zinc/30/46/99/1028304699.db2.gz ZHCBZWYGQLUXPB-RISCZKNCSA-N 2 2 323.362 3.507 20 0 DHADLP Cc1ncccc1C[NH2+][C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000368143384 1028312078 /nfs/dbraw/zinc/31/20/78/1028312078.db2.gz RVCVNZNBHJEYTG-UXHICEINSA-N 2 2 318.424 3.605 20 0 DHADLP Cn1cc([C@@H]2[C@@H](C[NH2+]C3CCCCCCC3)CCC[N@@H+]2C)cn1 ZINC000368401732 1028349349 /nfs/dbraw/zinc/34/93/49/1028349349.db2.gz GARVLXHQFFMLKS-APWZRJJASA-N 2 2 318.509 3.506 20 0 DHADLP Cn1cc([C@@H]2[C@@H](C[NH2+]C3CCCCCCC3)CCC[N@H+]2C)cn1 ZINC000368401732 1028349367 /nfs/dbraw/zinc/34/93/67/1028349367.db2.gz GARVLXHQFFMLKS-APWZRJJASA-N 2 2 318.509 3.506 20 0 DHADLP COc1c(Cl)cc(C[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC001138473336 1028365223 /nfs/dbraw/zinc/36/52/23/1028365223.db2.gz VQTZWARMDFHCEP-UHFFFAOYSA-N 2 2 317.260 3.528 20 0 DHADLP COc1c(Cl)cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC001138473336 1028365241 /nfs/dbraw/zinc/36/52/41/1028365241.db2.gz VQTZWARMDFHCEP-UHFFFAOYSA-N 2 2 317.260 3.528 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]4CCC[C@H]43)sc2C1 ZINC000368617820 1028383220 /nfs/dbraw/zinc/38/32/20/1028383220.db2.gz SOAYTQJUDIPXPN-GOEBONIOSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]4CCC[C@H]43)sc2C1 ZINC000368617820 1028383241 /nfs/dbraw/zinc/38/32/41/1028383241.db2.gz SOAYTQJUDIPXPN-GOEBONIOSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)sc2C1 ZINC000368617820 1028383271 /nfs/dbraw/zinc/38/32/71/1028383271.db2.gz SOAYTQJUDIPXPN-GOEBONIOSA-N 2 2 319.518 3.674 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000449152482 1028405965 /nfs/dbraw/zinc/40/59/65/1028405965.db2.gz FXOULAUDBPZYBP-JFIYKMOQSA-N 2 2 310.526 3.680 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CSC[C@H]2C)c(C)c1 ZINC000449193936 1028432601 /nfs/dbraw/zinc/43/26/01/1028432601.db2.gz RWICOGICZJXISK-BPQIPLTHSA-N 2 2 315.486 3.582 20 0 DHADLP CCC[C@H]([NH2+]C[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccsc1 ZINC000369112230 1028446261 /nfs/dbraw/zinc/44/62/61/1028446261.db2.gz KQVMDHFBJTWQAL-BPQIPLTHSA-N 2 2 322.518 3.680 20 0 DHADLP Cc1cccc(CC[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000449261920 1028513910 /nfs/dbraw/zinc/51/39/10/1028513910.db2.gz FRXPAUXWKMXEHP-SFHVURJKSA-N 2 2 309.457 3.560 20 0 DHADLP Cc1cccc(CC[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000449261920 1028513921 /nfs/dbraw/zinc/51/39/21/1028513921.db2.gz FRXPAUXWKMXEHP-SFHVURJKSA-N 2 2 309.457 3.560 20 0 DHADLP Cc1cccc(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000449305915 1028528708 /nfs/dbraw/zinc/52/87/08/1028528708.db2.gz ILTDQJOBLBZZTR-IBGZPJMESA-N 2 2 323.484 3.950 20 0 DHADLP Cc1cccc(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000449305915 1028528718 /nfs/dbraw/zinc/52/87/18/1028528718.db2.gz ILTDQJOBLBZZTR-IBGZPJMESA-N 2 2 323.484 3.950 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccs1 ZINC000370630761 1028625309 /nfs/dbraw/zinc/62/53/09/1028625309.db2.gz XMCCOJMOFCYQED-RDJZCZTQSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccs1 ZINC000370630761 1028625317 /nfs/dbraw/zinc/62/53/17/1028625317.db2.gz XMCCOJMOFCYQED-RDJZCZTQSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCC[C@H]1C ZINC000449434908 1028639006 /nfs/dbraw/zinc/63/90/06/1028639006.db2.gz TZODSIFNABYYOO-NUJGCVRESA-N 2 2 301.478 3.855 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1nccc2ccccc21 ZINC000370750199 1028645745 /nfs/dbraw/zinc/64/57/45/1028645745.db2.gz OTSMWKDDPCODFL-ZLPCBKJTSA-N 2 2 309.457 3.902 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000371177572 1028675017 /nfs/dbraw/zinc/67/50/17/1028675017.db2.gz OOWLFWDDJWBQFA-HNNXBMFYSA-N 2 2 314.433 3.537 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000371177572 1028675021 /nfs/dbraw/zinc/67/50/21/1028675021.db2.gz OOWLFWDDJWBQFA-HNNXBMFYSA-N 2 2 314.433 3.537 20 0 DHADLP C[C@@H]1Oc2c(cccc2F)[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000371978614 1028784937 /nfs/dbraw/zinc/78/49/37/1028784937.db2.gz ITQZURRMVSKXDQ-SCLBCKFNSA-N 2 2 323.371 3.623 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(Cl)c1 ZINC000566821451 1028786900 /nfs/dbraw/zinc/78/69/00/1028786900.db2.gz REXWFWGHTCJUGG-SFHVURJKSA-N 2 2 324.896 3.738 20 0 DHADLP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000372047337 1028798990 /nfs/dbraw/zinc/79/89/90/1028798990.db2.gz XRUUQBXVTWVBMT-ZVZYQTTQSA-N 2 2 324.896 3.738 20 0 DHADLP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000372047337 1028798995 /nfs/dbraw/zinc/79/89/95/1028798995.db2.gz XRUUQBXVTWVBMT-ZVZYQTTQSA-N 2 2 324.896 3.738 20 0 DHADLP CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449565357 1028811154 /nfs/dbraw/zinc/81/11/54/1028811154.db2.gz IKRFAOXIZRMKPB-CABCVRRESA-N 2 2 323.444 3.809 20 0 DHADLP CCc1cccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000567358561 1028878467 /nfs/dbraw/zinc/87/84/67/1028878467.db2.gz WNPFLSNHUVZUKG-UHFFFAOYSA-N 2 2 319.452 3.826 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@]4(CCSC4)C3)cc2)c[nH+]1 ZINC000449730557 1028938692 /nfs/dbraw/zinc/93/86/92/1028938692.db2.gz FJRXLQJPDXXWSV-GOSISDBHSA-N 2 2 313.470 3.591 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@]4(CCSC4)C3)cc2)c[nH+]1 ZINC000449730557 1028938705 /nfs/dbraw/zinc/93/87/05/1028938705.db2.gz FJRXLQJPDXXWSV-GOSISDBHSA-N 2 2 313.470 3.591 20 0 DHADLP C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000373412726 1029037563 /nfs/dbraw/zinc/03/75/63/1029037563.db2.gz MXUIYGLOBYCEPK-JXFKEZNVSA-N 2 2 318.424 3.850 20 0 DHADLP C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000373412726 1029037574 /nfs/dbraw/zinc/03/75/74/1029037574.db2.gz MXUIYGLOBYCEPK-JXFKEZNVSA-N 2 2 318.424 3.850 20 0 DHADLP CC(C)C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccn1 ZINC000373517954 1029067274 /nfs/dbraw/zinc/06/72/74/1029067274.db2.gz BXLZHSYWOPMOLW-TVPLGVNVSA-N 2 2 301.478 3.775 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000568452742 1029074152 /nfs/dbraw/zinc/07/41/52/1029074152.db2.gz MJYXJMWGUWCTMZ-GOEBONIOSA-N 2 2 313.445 3.797 20 0 DHADLP c1c[nH]c([C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000411429486 1029129182 /nfs/dbraw/zinc/12/91/82/1029129182.db2.gz MOGIJDYZZBCVBH-IBGZPJMESA-N 2 2 324.472 3.733 20 0 DHADLP c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000411429486 1029129186 /nfs/dbraw/zinc/12/91/86/1029129186.db2.gz MOGIJDYZZBCVBH-IBGZPJMESA-N 2 2 324.472 3.733 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)(C)C ZINC000163310216 1029158468 /nfs/dbraw/zinc/15/84/68/1029158468.db2.gz TTYYTENTMQKNBQ-OAHLLOKOSA-N 2 2 303.494 3.746 20 0 DHADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817953204 1029294363 /nfs/dbraw/zinc/29/43/63/1029294363.db2.gz XCHHKMSJJCVAOO-CQSZACIVSA-N 2 2 300.418 3.578 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000817955176 1029295150 /nfs/dbraw/zinc/29/51/50/1029295150.db2.gz RSVGWCMJMFKUGD-RTBURBONSA-N 2 2 310.441 3.752 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccnc1Cl ZINC000817984305 1029319629 /nfs/dbraw/zinc/31/96/29/1029319629.db2.gz PYWBMGSGVLMIMB-NSVFZLEXSA-N 2 2 319.880 3.539 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000629514614 1029355548 /nfs/dbraw/zinc/35/55/48/1029355548.db2.gz MGIPQZOYFUDIOH-UHFFFAOYSA-N 2 2 315.505 3.731 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(SCC(F)(F)F)cc1 ZINC000629549767 1029364055 /nfs/dbraw/zinc/36/40/55/1029364055.db2.gz ZQVIKVABADHOPT-UHIISALHSA-N 2 2 318.408 3.742 20 0 DHADLP C[C@H]1C[C@@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)CC[N@@H+]1C ZINC000450351880 1029407036 /nfs/dbraw/zinc/40/70/36/1029407036.db2.gz AJTOCPKSKRPTNW-QWRGUYRKSA-N 2 2 307.800 3.922 20 0 DHADLP C[C@H]1C[C@@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)CC[N@H+]1C ZINC000450351880 1029407044 /nfs/dbraw/zinc/40/70/44/1029407044.db2.gz AJTOCPKSKRPTNW-QWRGUYRKSA-N 2 2 307.800 3.922 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000629657402 1029410065 /nfs/dbraw/zinc/41/00/65/1029410065.db2.gz XMSQMCMFTQWNNG-QWHCGFSZSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000629657402 1029410071 /nfs/dbraw/zinc/41/00/71/1029410071.db2.gz XMSQMCMFTQWNNG-QWHCGFSZSA-N 2 2 320.786 3.608 20 0 DHADLP Clc1cccc2c1C[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001170931879 1029593311 /nfs/dbraw/zinc/59/33/11/1029593311.db2.gz BKKHWRZNXRYGKQ-GJZGRUSLSA-N 2 2 315.848 3.734 20 0 DHADLP Fc1cccc2c1C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001170950754 1029748153 /nfs/dbraw/zinc/74/81/53/1029748153.db2.gz SODAVUCWGYSSAR-KRWDZBQOSA-N 2 2 321.399 3.659 20 0 DHADLP Clc1ccccc1C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccoc1 ZINC000820806000 1029768226 /nfs/dbraw/zinc/76/82/26/1029768226.db2.gz XEPHIWHIWUPNIN-KRWDZBQOSA-N 2 2 315.804 3.703 20 0 DHADLP C[N@@H+]1CC[C@]2(CC[NH+](CCc3c(Cl)cccc3Cl)C2)C1 ZINC000451061489 1029780844 /nfs/dbraw/zinc/78/08/44/1029780844.db2.gz LIGBZIPPIOLGCZ-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP C[N@H+]1CC[C@]2(CC[NH+](CCc3c(Cl)cccc3Cl)C2)C1 ZINC000451061489 1029780848 /nfs/dbraw/zinc/78/08/48/1029780848.db2.gz LIGBZIPPIOLGCZ-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@H+](CCc3c(Cl)cccc3Cl)C2)C1 ZINC000451061489 1029780855 /nfs/dbraw/zinc/78/08/55/1029780855.db2.gz LIGBZIPPIOLGCZ-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@@H+](CCc3c(Cl)cccc3Cl)C2)C1 ZINC000451061489 1029780858 /nfs/dbraw/zinc/78/08/58/1029780858.db2.gz LIGBZIPPIOLGCZ-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000121768379 1029837994 /nfs/dbraw/zinc/83/79/94/1029837994.db2.gz TZQWXXPXOFJMPQ-UHFFFAOYSA-N 2 2 321.827 3.667 20 0 DHADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCc3cccc(F)c3C2)cc1 ZINC001170978105 1029945638 /nfs/dbraw/zinc/94/56/38/1029945638.db2.gz SUVBZDWMEVZFQB-KRWDZBQOSA-N 2 2 321.399 3.878 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccccc1 ZINC000290496532 1030076729 /nfs/dbraw/zinc/07/67/29/1030076729.db2.gz YALUMIOZLUPHKE-RZQQEMMASA-N 2 2 321.424 3.645 20 0 DHADLP Brc1ccc(C2([NH2+][C@@H]3CCCC[NH2+]C3)CCC2)cc1 ZINC001246202708 1030099574 /nfs/dbraw/zinc/09/95/74/1030099574.db2.gz QIJNVCZXHFEFFU-OAHLLOKOSA-N 2 2 323.278 3.560 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cccnc2)c1 ZINC000924533419 1030116494 /nfs/dbraw/zinc/11/64/94/1030116494.db2.gz KEVXCLXSCCWGKO-HXUWFJFHSA-N 2 2 320.440 3.664 20 0 DHADLP ClC1(Cl)C[C@@H]1CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000822790198 1030121925 /nfs/dbraw/zinc/12/19/25/1030121925.db2.gz FECMEPGIUMAUCJ-LBPRGKRZSA-N 2 2 314.260 3.542 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656163 1030140368 /nfs/dbraw/zinc/14/03/68/1030140368.db2.gz ZIQUSZDPLNRSMY-RHSMWYFYSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656163 1030140379 /nfs/dbraw/zinc/14/03/79/1030140379.db2.gz ZIQUSZDPLNRSMY-RHSMWYFYSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656163 1030140386 /nfs/dbraw/zinc/14/03/86/1030140386.db2.gz ZIQUSZDPLNRSMY-RHSMWYFYSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656163 1030140392 /nfs/dbraw/zinc/14/03/92/1030140392.db2.gz ZIQUSZDPLNRSMY-RHSMWYFYSA-N 2 2 315.486 3.582 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000924618374 1030141554 /nfs/dbraw/zinc/14/15/54/1030141554.db2.gz YVBFIAXNWGAUBH-OAHLLOKOSA-N 2 2 301.434 3.723 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000924618374 1030141560 /nfs/dbraw/zinc/14/15/60/1030141560.db2.gz YVBFIAXNWGAUBH-OAHLLOKOSA-N 2 2 301.434 3.723 20 0 DHADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000866212177 1030162768 /nfs/dbraw/zinc/16/27/68/1030162768.db2.gz DUNQVZCWWFMRCZ-RXVVDRJESA-N 2 2 323.484 3.829 20 0 DHADLP C[C@@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000866262538 1030185878 /nfs/dbraw/zinc/18/58/78/1030185878.db2.gz BMHWBJLRVYADJM-OXJNMPFZSA-N 2 2 323.484 3.630 20 0 DHADLP C[C@@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000866262538 1030185889 /nfs/dbraw/zinc/18/58/89/1030185889.db2.gz BMHWBJLRVYADJM-OXJNMPFZSA-N 2 2 323.484 3.630 20 0 DHADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000924948895 1030234274 /nfs/dbraw/zinc/23/42/74/1030234274.db2.gz FFZSIHHCKAUFML-UONOGXRCSA-N 2 2 307.388 3.598 20 0 DHADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccns1 ZINC000925202195 1030300563 /nfs/dbraw/zinc/30/05/63/1030300563.db2.gz HAXPIWXJNRWRGH-LSDHHAIUSA-N 2 2 303.475 3.704 20 0 DHADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccns1 ZINC000925202195 1030300581 /nfs/dbraw/zinc/30/05/81/1030300581.db2.gz HAXPIWXJNRWRGH-LSDHHAIUSA-N 2 2 303.475 3.704 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c2ccccn2)cc1 ZINC000925222013 1030309101 /nfs/dbraw/zinc/30/91/01/1030309101.db2.gz PZSCUNRSNKOHOW-ZJOUEHCJSA-N 2 2 323.484 3.942 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)c2cccnc2)cc1 ZINC000925302489 1030339173 /nfs/dbraw/zinc/33/91/73/1030339173.db2.gz DNQJHFSJCGVUFP-OAQYLSRUSA-N 2 2 323.484 3.942 20 0 DHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1C ZINC000291165600 1030374068 /nfs/dbraw/zinc/37/40/68/1030374068.db2.gz DAJCVLSJHDODPZ-IEBWSBKVSA-N 2 2 310.445 3.528 20 0 DHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1C ZINC000291165600 1030374084 /nfs/dbraw/zinc/37/40/84/1030374084.db2.gz DAJCVLSJHDODPZ-IEBWSBKVSA-N 2 2 310.445 3.528 20 0 DHADLP COc1cc2cc[nH+]c(NC[C@H]3CC[N@@H+](C(C)C)C3)c2cc1F ZINC000558009861 1030375498 /nfs/dbraw/zinc/37/54/98/1030375498.db2.gz CJCPZUYEEKWHIM-CYBMUJFWSA-N 2 2 317.408 3.525 20 0 DHADLP COc1cc2cc[nH+]c(NC[C@H]3CC[N@H+](C(C)C)C3)c2cc1F ZINC000558009861 1030375511 /nfs/dbraw/zinc/37/55/11/1030375511.db2.gz CJCPZUYEEKWHIM-CYBMUJFWSA-N 2 2 317.408 3.525 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccnc2)c(C)c1 ZINC000358348721 1030449920 /nfs/dbraw/zinc/44/99/20/1030449920.db2.gz WDCFSKXXTGPBKI-XLIONFOSSA-N 2 2 320.440 3.987 20 0 DHADLP C[C@@H]([NH3+])[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1ccccc1 ZINC000925718353 1030463493 /nfs/dbraw/zinc/46/34/93/1030463493.db2.gz LGFPKIMBQIDRBJ-OCCSQVGLSA-N 2 2 300.368 3.787 20 0 DHADLP CC(C)([NH3+])CC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000925739733 1030471859 /nfs/dbraw/zinc/47/18/59/1030471859.db2.gz DSBUCSGOTRKSFE-GOSISDBHSA-N 2 2 309.413 3.634 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1Cl ZINC000925779082 1030491895 /nfs/dbraw/zinc/49/18/95/1030491895.db2.gz LJQYJUAFNQEUNB-NXEZZACHSA-N 2 2 323.214 3.889 20 0 DHADLP CCC[C@@H](c1ccccc1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752458 1030479082 /nfs/dbraw/zinc/47/90/82/1030479082.db2.gz VTAWPBUQOHQCTQ-HNNXBMFYSA-N 2 2 301.459 3.501 20 0 DHADLP CCC[C@@H](c1ccccc1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925752458 1030479086 /nfs/dbraw/zinc/47/90/86/1030479086.db2.gz VTAWPBUQOHQCTQ-HNNXBMFYSA-N 2 2 301.459 3.501 20 0 DHADLP Clc1cccc2c1CC[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001171048632 1030485664 /nfs/dbraw/zinc/48/56/64/1030485664.db2.gz CBXAYSFEZJEGDE-GJZGRUSLSA-N 2 2 315.848 3.734 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(-c2ccccc2)o1 ZINC000925785639 1030499093 /nfs/dbraw/zinc/49/90/93/1030499093.db2.gz VCGRQZDMBSSEIW-UKRRQHHQSA-N 2 2 320.383 3.842 20 0 DHADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000358475871 1030502950 /nfs/dbraw/zinc/50/29/50/1030502950.db2.gz WRLWAUQNJKMZJV-IPYPFGDCSA-N 2 2 307.507 3.755 20 0 DHADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000358475871 1030502960 /nfs/dbraw/zinc/50/29/60/1030502960.db2.gz WRLWAUQNJKMZJV-IPYPFGDCSA-N 2 2 307.507 3.755 20 0 DHADLP CCc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000558413706 1030565950 /nfs/dbraw/zinc/56/59/50/1030565950.db2.gz ONOYDHMUKHIXLQ-OAQYLSRUSA-N 2 2 324.468 3.940 20 0 DHADLP CCc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000558413706 1030565960 /nfs/dbraw/zinc/56/59/60/1030565960.db2.gz ONOYDHMUKHIXLQ-OAQYLSRUSA-N 2 2 324.468 3.940 20 0 DHADLP CCc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000558413706 1030565967 /nfs/dbraw/zinc/56/59/67/1030565967.db2.gz ONOYDHMUKHIXLQ-OAQYLSRUSA-N 2 2 324.468 3.940 20 0 DHADLP CCc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000558413706 1030565977 /nfs/dbraw/zinc/56/59/77/1030565977.db2.gz ONOYDHMUKHIXLQ-OAQYLSRUSA-N 2 2 324.468 3.940 20 0 DHADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+]CC[NH+]1CCCC1)C2 ZINC001171058047 1030569337 /nfs/dbraw/zinc/56/93/37/1030569337.db2.gz IDEFKLGUJSPDFE-CQSZACIVSA-N 2 2 313.272 3.536 20 0 DHADLP Cc1ncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000072966207 1030588483 /nfs/dbraw/zinc/58/84/83/1030588483.db2.gz URXWYTNSJNMMKG-HOCLYGCPSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000072966207 1030588499 /nfs/dbraw/zinc/58/84/99/1030588499.db2.gz URXWYTNSJNMMKG-HOCLYGCPSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000072966207 1030588509 /nfs/dbraw/zinc/58/85/09/1030588509.db2.gz URXWYTNSJNMMKG-HOCLYGCPSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000072966207 1030588516 /nfs/dbraw/zinc/58/85/16/1030588516.db2.gz URXWYTNSJNMMKG-HOCLYGCPSA-N 2 2 307.507 3.538 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063644 1030625082 /nfs/dbraw/zinc/62/50/82/1030625082.db2.gz NIIVASQJSNUCKW-KGLIPLIRSA-N 2 2 313.272 3.535 20 0 DHADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063644 1030625092 /nfs/dbraw/zinc/62/50/92/1030625092.db2.gz NIIVASQJSNUCKW-KGLIPLIRSA-N 2 2 313.272 3.535 20 0 DHADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]CCn3cc[nH+]c3)cc2)cs1 ZINC000358828964 1030641395 /nfs/dbraw/zinc/64/13/95/1030641395.db2.gz XKRROIBDPWTMQK-CYBMUJFWSA-N 2 2 312.442 3.666 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc2ccccc21 ZINC000926230799 1030666855 /nfs/dbraw/zinc/66/68/55/1030666855.db2.gz XYRVPTVFRWWIDQ-PBHICJAKSA-N 2 2 321.424 3.711 20 0 DHADLP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247148269 1030680411 /nfs/dbraw/zinc/68/04/11/1030680411.db2.gz WSFINGIRNKLWBQ-MTNOOBJLSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247148269 1030680419 /nfs/dbraw/zinc/68/04/19/1030680419.db2.gz WSFINGIRNKLWBQ-MTNOOBJLSA-N 2 2 315.505 3.706 20 0 DHADLP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](Cc4cccnc4)CC[C@H]32)cc1 ZINC000248060704 1030716520 /nfs/dbraw/zinc/71/65/20/1030716520.db2.gz LVOHIZFOKBONNH-LEWJYISDSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](Cc4cccnc4)CC[C@H]32)cc1 ZINC000248060704 1030716539 /nfs/dbraw/zinc/71/65/39/1030716539.db2.gz LVOHIZFOKBONNH-LEWJYISDSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](Cc4cccnc4)CC[C@H]32)cc1 ZINC000248060704 1030716552 /nfs/dbraw/zinc/71/65/52/1030716552.db2.gz LVOHIZFOKBONNH-LEWJYISDSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](Cc4cccnc4)CC[C@H]32)cc1 ZINC000248060704 1030716565 /nfs/dbraw/zinc/71/65/65/1030716565.db2.gz LVOHIZFOKBONNH-LEWJYISDSA-N 2 2 321.468 3.568 20 0 DHADLP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ncccc1Cl ZINC000926752406 1030901925 /nfs/dbraw/zinc/90/19/25/1030901925.db2.gz GKOSPVDKVYPSPD-GDBMZVCRSA-N 2 2 309.885 3.898 20 0 DHADLP CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ncccc1Cl ZINC000926752406 1030901942 /nfs/dbraw/zinc/90/19/42/1030901942.db2.gz GKOSPVDKVYPSPD-GDBMZVCRSA-N 2 2 309.885 3.898 20 0 DHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(Cl)c3Cl)C[C@H]21 ZINC000261770380 1031060406 /nfs/dbraw/zinc/06/04/06/1031060406.db2.gz DQRUBGAALHJVIM-FBIMIBRVSA-N 2 2 305.274 3.614 20 0 DHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(Cl)c3Cl)C[C@H]21 ZINC000261770380 1031060420 /nfs/dbraw/zinc/06/04/20/1031060420.db2.gz DQRUBGAALHJVIM-FBIMIBRVSA-N 2 2 305.274 3.614 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(OC(F)F)cc1 ZINC000359578808 1031043130 /nfs/dbraw/zinc/04/31/30/1031043130.db2.gz CFSPRZHSEIAYRW-GDBMZVCRSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(OC(F)F)cc1 ZINC000359578808 1031043149 /nfs/dbraw/zinc/04/31/49/1031043149.db2.gz CFSPRZHSEIAYRW-GDBMZVCRSA-N 2 2 312.404 3.813 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262037118 1031092018 /nfs/dbraw/zinc/09/20/18/1031092018.db2.gz XWCJFMYTJSBAJD-GXSJLCMTSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262037118 1031092037 /nfs/dbraw/zinc/09/20/37/1031092037.db2.gz XWCJFMYTJSBAJD-GXSJLCMTSA-N 2 2 306.759 3.528 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442334 1031145876 /nfs/dbraw/zinc/14/58/76/1031145876.db2.gz XEQFPYUUHCCWIA-KRWDZBQOSA-N 2 2 317.383 3.802 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442334 1031145884 /nfs/dbraw/zinc/14/58/84/1031145884.db2.gz XEQFPYUUHCCWIA-KRWDZBQOSA-N 2 2 317.383 3.802 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1F)CCC2 ZINC000359952565 1031217088 /nfs/dbraw/zinc/21/70/88/1031217088.db2.gz NSFGTHMRVKJDKK-QWHCGFSZSA-N 2 2 305.372 3.698 20 0 DHADLP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282069453 1031218953 /nfs/dbraw/zinc/21/89/53/1031218953.db2.gz NCTLUMYDVHADFE-RDJZCZTQSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@@H](c1cccnc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282069453 1031218962 /nfs/dbraw/zinc/21/89/62/1031218962.db2.gz NCTLUMYDVHADFE-RDJZCZTQSA-N 2 2 310.445 3.555 20 0 DHADLP Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)n1 ZINC000360242826 1031341009 /nfs/dbraw/zinc/34/10/09/1031341009.db2.gz RMRJMVFHDNBWGW-UHFFFAOYSA-N 2 2 312.461 3.587 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2S1 ZINC000872017053 1031397408 /nfs/dbraw/zinc/39/74/08/1031397408.db2.gz RXQKKYYJSYBWKX-OAHLLOKOSA-N 2 2 301.459 3.879 20 0 DHADLP CC1(C)C[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2S1 ZINC000872017051 1031398651 /nfs/dbraw/zinc/39/86/51/1031398651.db2.gz RXQKKYYJSYBWKX-HNNXBMFYSA-N 2 2 301.459 3.879 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCOC1 ZINC000872017598 1031400856 /nfs/dbraw/zinc/40/08/56/1031400856.db2.gz CRIFOKCJEQJMCM-WDYCEAGBSA-N 2 2 313.445 3.728 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccn2CCC(C)C)C1 ZINC000536695951 1031404877 /nfs/dbraw/zinc/40/48/77/1031404877.db2.gz ONYMVUZGWZJOKK-SFHVURJKSA-N 2 2 305.510 3.698 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccn2CCC(C)C)C1 ZINC000536695951 1031404887 /nfs/dbraw/zinc/40/48/87/1031404887.db2.gz ONYMVUZGWZJOKK-SFHVURJKSA-N 2 2 305.510 3.698 20 0 DHADLP Clc1ccc(-c2nc(C[NH2+][C@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000666855537 1031409453 /nfs/dbraw/zinc/40/94/53/1031409453.db2.gz YTLGQVPJRYAMHK-AWEZNQCLSA-N 2 2 321.877 3.695 20 0 DHADLP c1cn(-c2cccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)c2)c[nH+]1 ZINC000360655814 1031505063 /nfs/dbraw/zinc/50/50/63/1031505063.db2.gz DVYNNDAYXLXBBE-HXUWFJFHSA-N 2 2 318.424 3.898 20 0 DHADLP CC(C)[N@H+](Cc1c[nH]c2c1cccc2F)C1CC[NH+](C)CC1 ZINC001137059912 1031613427 /nfs/dbraw/zinc/61/34/27/1031613427.db2.gz FKBOERMEJKFCHW-UHFFFAOYSA-N 2 2 303.425 3.612 20 0 DHADLP CC(C)[N@@H+](Cc1c[nH]c2c1cccc2F)C1CC[NH+](C)CC1 ZINC001137059912 1031613431 /nfs/dbraw/zinc/61/34/31/1031613431.db2.gz FKBOERMEJKFCHW-UHFFFAOYSA-N 2 2 303.425 3.612 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]2[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000777843494 1031636762 /nfs/dbraw/zinc/63/67/62/1031636762.db2.gz TZMJTMCWYPIZFT-CJNGLKHVSA-N 2 2 301.821 3.930 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]2[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000777843494 1031636769 /nfs/dbraw/zinc/63/67/69/1031636769.db2.gz TZMJTMCWYPIZFT-CJNGLKHVSA-N 2 2 301.821 3.930 20 0 DHADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000360985319 1031658238 /nfs/dbraw/zinc/65/82/38/1031658238.db2.gz UUJPPUOMRNOZNF-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000360985319 1031658246 /nfs/dbraw/zinc/65/82/46/1031658246.db2.gz UUJPPUOMRNOZNF-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000360985319 1031658250 /nfs/dbraw/zinc/65/82/50/1031658250.db2.gz UUJPPUOMRNOZNF-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000360985319 1031658253 /nfs/dbraw/zinc/65/82/53/1031658253.db2.gz UUJPPUOMRNOZNF-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000293864213 1031662744 /nfs/dbraw/zinc/66/27/44/1031662744.db2.gz SDQIZOQQIULRCD-INIZCTEOSA-N 2 2 312.461 3.870 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000293864213 1031662758 /nfs/dbraw/zinc/66/27/58/1031662758.db2.gz SDQIZOQQIULRCD-INIZCTEOSA-N 2 2 312.461 3.870 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000873163328 1031734207 /nfs/dbraw/zinc/73/42/07/1031734207.db2.gz OPLOQUMWKJNFJG-UHFFFAOYSA-N 2 2 313.445 3.615 20 0 DHADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873283385 1031787911 /nfs/dbraw/zinc/78/79/11/1031787911.db2.gz RUWLLYHRXPLBSZ-VXGBXAGGSA-N 2 2 321.774 3.503 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296655 1031792910 /nfs/dbraw/zinc/79/29/10/1031792910.db2.gz KTSLWTRJEHUUEZ-NZVBXONLSA-N 2 2 321.346 3.896 20 0 DHADLP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1(C)C ZINC000361240017 1031808022 /nfs/dbraw/zinc/80/80/22/1031808022.db2.gz ZNERXNRMHJQELY-ROUUACIJSA-N 2 2 313.445 3.554 20 0 DHADLP CC1(C)C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000897795461 1031837120 /nfs/dbraw/zinc/83/71/20/1031837120.db2.gz QGWIKKWOWNXQLM-GFCCVEGCSA-N 2 2 307.488 3.698 20 0 DHADLP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CC[C@H](C)C1 ZINC000361629599 1032024014 /nfs/dbraw/zinc/02/40/14/1032024014.db2.gz LGPCBPOCGSDVNI-GJZGRUSLSA-N 2 2 319.474 3.571 20 0 DHADLP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CC[C@H](C)C1 ZINC000361629599 1032024027 /nfs/dbraw/zinc/02/40/27/1032024027.db2.gz LGPCBPOCGSDVNI-GJZGRUSLSA-N 2 2 319.474 3.571 20 0 DHADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000361654345 1032037528 /nfs/dbraw/zinc/03/75/28/1032037528.db2.gz KTKOEKIJJSVNOT-HOTGVXAUSA-N 2 2 313.445 3.818 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1Cl ZINC000044535429 1032054924 /nfs/dbraw/zinc/05/49/24/1032054924.db2.gz DQPBPMJBEDEFKJ-VXGBXAGGSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1Cl ZINC000044535429 1032054936 /nfs/dbraw/zinc/05/49/36/1032054936.db2.gz DQPBPMJBEDEFKJ-VXGBXAGGSA-N 2 2 301.261 3.986 20 0 DHADLP CC(C)[N@H+]([C@@H]1Cc2ccc(Cl)cc2C1)C1CC[NH+](C)CC1 ZINC001172723977 1033330654 /nfs/dbraw/zinc/33/06/54/1033330654.db2.gz YSNBOZLXYZGOFW-GOSISDBHSA-N 2 2 306.881 3.612 20 0 DHADLP CC(C)[N@@H+]([C@@H]1Cc2ccc(Cl)cc2C1)C1CC[NH+](C)CC1 ZINC001172723977 1033330658 /nfs/dbraw/zinc/33/06/58/1033330658.db2.gz YSNBOZLXYZGOFW-GOSISDBHSA-N 2 2 306.881 3.612 20 0 DHADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001172818333 1033380621 /nfs/dbraw/zinc/38/06/21/1033380621.db2.gz KATMAOCWPFMONE-MHJFOBGBSA-N 2 2 300.490 3.860 20 0 DHADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001172818333 1033380635 /nfs/dbraw/zinc/38/06/35/1033380635.db2.gz KATMAOCWPFMONE-MHJFOBGBSA-N 2 2 300.490 3.860 20 0 DHADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818842 1033382020 /nfs/dbraw/zinc/38/20/20/1033382020.db2.gz UQXYCIGEXKYERH-KKXNLOMOSA-N 2 2 300.490 3.862 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@H]21 ZINC001172824951 1033387473 /nfs/dbraw/zinc/38/74/73/1033387473.db2.gz LUVOTKQQBBAWBP-KWJLTHHISA-N 2 2 312.501 3.814 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@H]21 ZINC001172824951 1033387482 /nfs/dbraw/zinc/38/74/82/1033387482.db2.gz LUVOTKQQBBAWBP-KWJLTHHISA-N 2 2 312.501 3.814 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(Cc4ccccc4)CC3)C[C@H]21 ZINC001172824951 1033387493 /nfs/dbraw/zinc/38/74/93/1033387493.db2.gz LUVOTKQQBBAWBP-KWJLTHHISA-N 2 2 312.501 3.814 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@H]21 ZINC001172824951 1033387505 /nfs/dbraw/zinc/38/75/05/1033387505.db2.gz LUVOTKQQBBAWBP-KWJLTHHISA-N 2 2 312.501 3.814 20 0 DHADLP CCC1([NH+](C)C)CC[NH+](Cc2cnc3c(F)cccc3c2)CC1 ZINC000877689491 1033413248 /nfs/dbraw/zinc/41/32/48/1033413248.db2.gz HCYQLEZTYYCFEA-UHFFFAOYSA-N 2 2 315.436 3.680 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c2ccccc12 ZINC000151121712 1033418226 /nfs/dbraw/zinc/41/82/26/1033418226.db2.gz CVBXNIZFDHJQKH-HNNXBMFYSA-N 2 2 309.413 3.786 20 0 DHADLP C[C@H](Cc1c(F)cccc1Cl)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172855018 1033423908 /nfs/dbraw/zinc/42/39/08/1033423908.db2.gz BMITUJFBPNRKOO-CYBMUJFWSA-N 2 2 321.827 3.944 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(-c2ccncc2)c1 ZINC000151162031 1033424387 /nfs/dbraw/zinc/42/43/87/1033424387.db2.gz RWPYJJVKEFGYDO-MRXNPFEDSA-N 2 2 306.413 3.686 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172869645 1033440886 /nfs/dbraw/zinc/44/08/86/1033440886.db2.gz QTECTYDQROCEBA-ZDUSSCGKSA-N 2 2 321.827 3.944 20 0 DHADLP C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000877813786 1033466901 /nfs/dbraw/zinc/46/69/01/1033466901.db2.gz KLQGVRLEROVDNA-HNNXBMFYSA-N 2 2 309.335 3.647 20 0 DHADLP C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000877813786 1033466908 /nfs/dbraw/zinc/46/69/08/1033466908.db2.gz KLQGVRLEROVDNA-HNNXBMFYSA-N 2 2 309.335 3.647 20 0 DHADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)C1 ZINC001172927377 1033472030 /nfs/dbraw/zinc/47/20/30/1033472030.db2.gz XDMNFMGVZNIUGO-MXEMCNAFSA-N 2 2 324.468 3.975 20 0 DHADLP CO[C@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)C1 ZINC001172927382 1033472245 /nfs/dbraw/zinc/47/22/45/1033472245.db2.gz XDMNFMGVZNIUGO-XSDIEEQYSA-N 2 2 324.468 3.975 20 0 DHADLP C/C(=C/c1ccccc1)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000588619494 1033505820 /nfs/dbraw/zinc/50/58/20/1033505820.db2.gz VQUCDSYZVIZLCT-ICFOKQHNSA-N 2 2 307.441 3.744 20 0 DHADLP CCCOC1CCC(n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001173096432 1033526904 /nfs/dbraw/zinc/52/69/04/1033526904.db2.gz PCNXRFQELRKLSG-UHFFFAOYSA-N 2 2 313.445 3.919 20 0 DHADLP C([C@@H]1C[N@@H+](C2CCC3(CCCCC3)CC2)CCO1)[NH+]1CCCC1 ZINC001173120147 1033554314 /nfs/dbraw/zinc/55/43/14/1033554314.db2.gz DRYVLQJWLVLHQA-LJQANCHMSA-N 2 2 320.521 3.676 20 0 DHADLP C([C@@H]1C[N@H+](C2CCC3(CCCCC3)CC2)CCO1)[NH+]1CCCC1 ZINC001173120147 1033554328 /nfs/dbraw/zinc/55/43/28/1033554328.db2.gz DRYVLQJWLVLHQA-LJQANCHMSA-N 2 2 320.521 3.676 20 0 DHADLP Cc1cc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)ccc1F ZINC000553093932 1033594232 /nfs/dbraw/zinc/59/42/32/1033594232.db2.gz QCLGVDFJTMURDY-SFHVURJKSA-N 2 2 301.409 3.852 20 0 DHADLP CC[N@H+](C)c1ccc(Nc2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001212717882 1033631999 /nfs/dbraw/zinc/63/19/99/1033631999.db2.gz RQZIPAHLDIFRSV-UHFFFAOYSA-N 2 2 324.472 3.638 20 0 DHADLP CC[N@@H+](C)c1ccc(Nc2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001212717882 1033632010 /nfs/dbraw/zinc/63/20/10/1033632010.db2.gz RQZIPAHLDIFRSV-UHFFFAOYSA-N 2 2 324.472 3.638 20 0 DHADLP CCSC[C@H](C)[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001173293653 1033651126 /nfs/dbraw/zinc/65/11/26/1033651126.db2.gz BXUSNZFBVHOTHC-HNNXBMFYSA-N 2 2 324.509 3.830 20 0 DHADLP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001173278353 1033667574 /nfs/dbraw/zinc/66/75/74/1033667574.db2.gz LVXWFOGRZUNLPJ-QZWWFDLISA-N 2 2 319.518 3.618 20 0 DHADLP CC[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001173278353 1033667584 /nfs/dbraw/zinc/66/75/84/1033667584.db2.gz LVXWFOGRZUNLPJ-QZWWFDLISA-N 2 2 319.518 3.618 20 0 DHADLP CC[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)C1 ZINC001173278353 1033667594 /nfs/dbraw/zinc/66/75/94/1033667594.db2.gz LVXWFOGRZUNLPJ-QZWWFDLISA-N 2 2 319.518 3.618 20 0 DHADLP CC[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)C1 ZINC001173278353 1033667601 /nfs/dbraw/zinc/66/76/01/1033667601.db2.gz LVXWFOGRZUNLPJ-QZWWFDLISA-N 2 2 319.518 3.618 20 0 DHADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)ccc1F ZINC000479352311 1033725449 /nfs/dbraw/zinc/72/54/49/1033725449.db2.gz QKNDNQZDSNGPRX-GOSISDBHSA-N 2 2 308.416 3.878 20 0 DHADLP CC[NH+](CC)CC[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173683842 1033818904 /nfs/dbraw/zinc/81/89/04/1033818904.db2.gz IHYDDHVAHNKXEM-UHFFFAOYSA-N 2 2 300.490 3.745 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cnn(C2CCC2)c1 ZINC000924729665 1033932384 /nfs/dbraw/zinc/93/23/84/1033932384.db2.gz NIYQWNUWBRQXRV-WMLDXEAASA-N 2 2 315.465 3.570 20 0 DHADLP Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000879750463 1034113154 /nfs/dbraw/zinc/11/31/54/1034113154.db2.gz RCIKGHAMQVRLOB-FQEVSTJZSA-N 2 2 318.424 3.913 20 0 DHADLP Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000879750463 1034113160 /nfs/dbraw/zinc/11/31/60/1034113160.db2.gz RCIKGHAMQVRLOB-FQEVSTJZSA-N 2 2 318.424 3.913 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000480292710 1034183835 /nfs/dbraw/zinc/18/38/35/1034183835.db2.gz VNAYFYWXXCJRCG-ZDUSSCGKSA-N 2 2 300.899 3.859 20 0 DHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000480292710 1034183844 /nfs/dbraw/zinc/18/38/44/1034183844.db2.gz VNAYFYWXXCJRCG-ZDUSSCGKSA-N 2 2 300.899 3.859 20 0 DHADLP Cc1nc(C)c([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000178551973 1034246323 /nfs/dbraw/zinc/24/63/23/1034246323.db2.gz BNCSZSGVUZBVKH-LBPRGKRZSA-N 2 2 304.463 3.698 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000880257084 1034266880 /nfs/dbraw/zinc/26/68/80/1034266880.db2.gz SBQHGQAVHBQDQB-QGZVFWFLSA-N 2 2 301.478 3.873 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180582301 1034343756 /nfs/dbraw/zinc/34/37/56/1034343756.db2.gz CUBJYTQYUWCFIA-CABCVRRESA-N 2 2 318.358 3.893 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180582301 1034343768 /nfs/dbraw/zinc/34/37/68/1034343768.db2.gz CUBJYTQYUWCFIA-CABCVRRESA-N 2 2 318.358 3.893 20 0 DHADLP CC(C)(C)SCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570222 1034362008 /nfs/dbraw/zinc/36/20/08/1034362008.db2.gz UYEMYKDHVJQHEG-INIZCTEOSA-N 2 2 303.475 3.746 20 0 DHADLP c1cc2c([nH]1)[nH+]ccc2Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001174411603 1034399297 /nfs/dbraw/zinc/39/92/97/1034399297.db2.gz FKZHHGNNAUQKGB-UHFFFAOYSA-N 2 2 322.412 3.733 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000567484904 1034425453 /nfs/dbraw/zinc/42/54/53/1034425453.db2.gz GJVHXHRHTIBSTO-NOOOWODRSA-N 2 2 321.877 3.764 20 0 DHADLP Clc1cnccc1[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168364790 1034483679 /nfs/dbraw/zinc/48/36/79/1034483679.db2.gz HWNNGRRLXFZHSL-GOSISDBHSA-N 2 2 319.880 3.650 20 0 DHADLP C[C@@H]([NH2+]Cc1c(F)cccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769273 1034570859 /nfs/dbraw/zinc/57/08/59/1034570859.db2.gz TWQCQJZEYYKTBG-ZIAGYGMSSA-N 2 2 308.416 3.707 20 0 DHADLP C[C@@H]([NH2+]Cc1c(F)cccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185769273 1034570864 /nfs/dbraw/zinc/57/08/64/1034570864.db2.gz TWQCQJZEYYKTBG-ZIAGYGMSSA-N 2 2 308.416 3.707 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cnn(-c2ccccc2)c1 ZINC000794837518 1034603297 /nfs/dbraw/zinc/60/32/97/1034603297.db2.gz SXKPNCRBTDJKDO-VQSBYGRUSA-N 2 2 324.472 3.540 20 0 DHADLP CC(C)c1nc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cs1 ZINC000186376291 1034625805 /nfs/dbraw/zinc/62/58/05/1034625805.db2.gz VHNKFHYNSJRIMQ-CYBMUJFWSA-N 2 2 304.463 3.814 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1cccc(F)c1 ZINC000187803886 1034734667 /nfs/dbraw/zinc/73/46/67/1034734667.db2.gz XYLGDJGKODOOMO-SFHVURJKSA-N 2 2 324.403 3.956 20 0 DHADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001175155700 1034817934 /nfs/dbraw/zinc/81/79/34/1034817934.db2.gz CTHVUTGKJAUPSV-UHFFFAOYSA-N 2 2 302.462 3.536 20 0 DHADLP Clc1ccccc1O[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000162029604 1034995485 /nfs/dbraw/zinc/99/54/85/1034995485.db2.gz CMFIPZKQFHBGSC-INIZCTEOSA-N 2 2 322.880 3.669 20 0 DHADLP Clc1ccccc1O[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000162029604 1034995490 /nfs/dbraw/zinc/99/54/90/1034995490.db2.gz CMFIPZKQFHBGSC-INIZCTEOSA-N 2 2 322.880 3.669 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000481955570 1035038103 /nfs/dbraw/zinc/03/81/03/1035038103.db2.gz HHWLVKYHZUVXLU-MNOVXSKESA-N 2 2 320.811 3.932 20 0 DHADLP C[C@H](C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1 ZINC000482011919 1035044818 /nfs/dbraw/zinc/04/48/18/1035044818.db2.gz CLIZJOVGOBODHM-KRWDZBQOSA-N 2 2 305.425 3.841 20 0 DHADLP Cc1cc2[nH]c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2c(C)c1 ZINC000482012533 1035044911 /nfs/dbraw/zinc/04/49/11/1035044911.db2.gz ZQUQTYACHGZNDC-OXQOHEQNSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2c(C)c1 ZINC000482012533 1035044919 /nfs/dbraw/zinc/04/49/19/1035044919.db2.gz ZQUQTYACHGZNDC-OXQOHEQNSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2c(C)c1 ZINC000482012533 1035044922 /nfs/dbraw/zinc/04/49/22/1035044922.db2.gz ZQUQTYACHGZNDC-OXQOHEQNSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2c(C)c1 ZINC000482012533 1035044927 /nfs/dbraw/zinc/04/49/27/1035044927.db2.gz ZQUQTYACHGZNDC-OXQOHEQNSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2c(C)c1 ZINC000482012519 1035046039 /nfs/dbraw/zinc/04/60/39/1035046039.db2.gz ZQUQTYACHGZNDC-JXFKEZNVSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2c(C)c1 ZINC000482012519 1035046046 /nfs/dbraw/zinc/04/60/46/1035046046.db2.gz ZQUQTYACHGZNDC-JXFKEZNVSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2c(C)c1 ZINC000482012519 1035046052 /nfs/dbraw/zinc/04/60/52/1035046052.db2.gz ZQUQTYACHGZNDC-JXFKEZNVSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2c(C)c1 ZINC000482012519 1035046059 /nfs/dbraw/zinc/04/60/59/1035046059.db2.gz ZQUQTYACHGZNDC-JXFKEZNVSA-N 2 2 311.473 3.701 20 0 DHADLP CC[NH+]1CCN(c2ccc(Nc3c(C)cc[nH+]c3C)cc2)CC1 ZINC001175783281 1035121360 /nfs/dbraw/zinc/12/13/60/1035121360.db2.gz IFLFLMBXKKAOPJ-UHFFFAOYSA-N 2 2 310.445 3.584 20 0 DHADLP Cc1ccc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)[nH+]c1 ZINC001175796385 1035124984 /nfs/dbraw/zinc/12/49/84/1035124984.db2.gz BVCXILMUWQYVTQ-UHFFFAOYSA-N 2 2 311.429 3.998 20 0 DHADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCSc1ccccc1Cl ZINC001175883021 1035137908 /nfs/dbraw/zinc/13/79/08/1035137908.db2.gz OHBCYHSHWIDYIG-HOTGVXAUSA-N 2 2 324.921 3.991 20 0 DHADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCSc1ccccc1Cl ZINC001175883021 1035137911 /nfs/dbraw/zinc/13/79/11/1035137911.db2.gz OHBCYHSHWIDYIG-HOTGVXAUSA-N 2 2 324.921 3.991 20 0 DHADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCSc1ccccc1Cl ZINC001175883021 1035137913 /nfs/dbraw/zinc/13/79/13/1035137913.db2.gz OHBCYHSHWIDYIG-HOTGVXAUSA-N 2 2 324.921 3.991 20 0 DHADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCSc1ccccc1Cl ZINC001175883021 1035137916 /nfs/dbraw/zinc/13/79/16/1035137916.db2.gz OHBCYHSHWIDYIG-HOTGVXAUSA-N 2 2 324.921 3.991 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1F ZINC001168366766 1035151134 /nfs/dbraw/zinc/15/11/34/1035151134.db2.gz ZKRVGMRLGZUBIO-ZDUSSCGKSA-N 2 2 308.416 3.798 20 0 DHADLP C[NH+](C)CCOc1ccc(Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC001176226316 1035227213 /nfs/dbraw/zinc/22/72/13/1035227213.db2.gz BAABZBLDMVXNHK-UHFFFAOYSA-N 2 2 322.412 3.556 20 0 DHADLP CCCCCCOc1ccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206269516 1035237779 /nfs/dbraw/zinc/23/77/79/1035237779.db2.gz PKPFFHCXAOXCGO-KRWDZBQOSA-N 2 2 304.478 3.687 20 0 DHADLP CCCCCCOc1ccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC001206269516 1035237781 /nfs/dbraw/zinc/23/77/81/1035237781.db2.gz PKPFFHCXAOXCGO-KRWDZBQOSA-N 2 2 304.478 3.687 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483513304 1035276173 /nfs/dbraw/zinc/27/61/73/1035276173.db2.gz ZIMONEJAXHVGIS-HACGYAERSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483513304 1035276179 /nfs/dbraw/zinc/27/61/79/1035276179.db2.gz ZIMONEJAXHVGIS-HACGYAERSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483513304 1035276185 /nfs/dbraw/zinc/27/61/85/1035276185.db2.gz ZIMONEJAXHVGIS-HACGYAERSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483513304 1035276189 /nfs/dbraw/zinc/27/61/89/1035276189.db2.gz ZIMONEJAXHVGIS-HACGYAERSA-N 2 2 310.844 3.956 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000483750569 1035296242 /nfs/dbraw/zinc/29/62/42/1035296242.db2.gz YPMVNCRYQYXUFI-IPYPFGDCSA-N 2 2 310.869 3.872 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000483750569 1035296245 /nfs/dbraw/zinc/29/62/45/1035296245.db2.gz YPMVNCRYQYXUFI-IPYPFGDCSA-N 2 2 310.869 3.872 20 0 DHADLP CO[C@H](C)[C@@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000484139644 1035320690 /nfs/dbraw/zinc/32/06/90/1035320690.db2.gz UDGLHZWWQWIXJQ-IXDOHACOSA-N 2 2 304.478 3.663 20 0 DHADLP Cc1cccc(C[C@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)c1 ZINC000484312218 1035329459 /nfs/dbraw/zinc/32/94/59/1035329459.db2.gz SLMDSYCCHPNODS-IBGZPJMESA-N 2 2 309.457 3.803 20 0 DHADLP CO[C@H](CC(C)C)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176992132 1035341810 /nfs/dbraw/zinc/34/18/10/1035341810.db2.gz YACLUJJBOXXMBZ-DLBZAZTESA-N 2 2 321.509 3.879 20 0 DHADLP CO[C@H](CC(C)C)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176992132 1035341815 /nfs/dbraw/zinc/34/18/15/1035341815.db2.gz YACLUJJBOXXMBZ-DLBZAZTESA-N 2 2 321.509 3.879 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC001177061915 1035346517 /nfs/dbraw/zinc/34/65/17/1035346517.db2.gz WEBSHPHPUTUPQL-UFYCRDLUSA-N 2 2 316.489 3.617 20 0 DHADLP CCc1ccccc1C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC001177250600 1035360368 /nfs/dbraw/zinc/36/03/68/1035360368.db2.gz NRLUDWGTZXTQRN-UHFFFAOYSA-N 2 2 318.530 3.700 20 0 DHADLP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000484655610 1035384222 /nfs/dbraw/zinc/38/42/22/1035384222.db2.gz RDRSTTSBBDPBJX-HKUYNNGSSA-N 2 2 313.445 3.561 20 0 DHADLP Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000484652586 1035384745 /nfs/dbraw/zinc/38/47/45/1035384745.db2.gz PIEGYSUMIFQNBK-OALUTQOASA-N 2 2 313.445 3.561 20 0 DHADLP c1ccc(NCCCC[NH2+]Cc2cccc3cnccc32)[nH+]c1 ZINC001177655331 1035387442 /nfs/dbraw/zinc/38/74/42/1035387442.db2.gz DSYFSXOGHSWCMU-UHFFFAOYSA-N 2 2 306.413 3.612 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)C(C)(C)C ZINC001177823269 1035392186 /nfs/dbraw/zinc/39/21/86/1035392186.db2.gz SMYJUWKFYQYJEP-QGZVFWFLSA-N 2 2 314.477 3.533 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001179147700 1035466543 /nfs/dbraw/zinc/46/65/43/1035466543.db2.gz JEKWAGWXYUQORN-SXLOBPIMSA-N 2 2 322.537 3.682 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC001179173805 1035468530 /nfs/dbraw/zinc/46/85/30/1035468530.db2.gz ZTBWCPKEUAXXMU-SHCNBLLESA-N 2 2 320.427 3.975 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c(F)c1 ZINC001179173805 1035468532 /nfs/dbraw/zinc/46/85/32/1035468532.db2.gz ZTBWCPKEUAXXMU-SHCNBLLESA-N 2 2 320.427 3.975 20 0 DHADLP C([NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001179314821 1035473542 /nfs/dbraw/zinc/47/35/42/1035473542.db2.gz GANCOIUNMFOTTP-WSTZPKSXSA-N 2 2 320.521 3.578 20 0 DHADLP C([NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC001179314821 1035473544 /nfs/dbraw/zinc/47/35/44/1035473544.db2.gz GANCOIUNMFOTTP-WSTZPKSXSA-N 2 2 320.521 3.578 20 0 DHADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001192974839 1035533093 /nfs/dbraw/zinc/53/30/93/1035533093.db2.gz AUVBTFWWUAGNQB-VQTJNVASSA-N 2 2 318.505 3.650 20 0 DHADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001192974839 1035533100 /nfs/dbraw/zinc/53/31/00/1035533100.db2.gz AUVBTFWWUAGNQB-VQTJNVASSA-N 2 2 318.505 3.650 20 0 DHADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001192974839 1035533116 /nfs/dbraw/zinc/53/31/16/1035533116.db2.gz AUVBTFWWUAGNQB-VQTJNVASSA-N 2 2 318.505 3.650 20 0 DHADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001192974839 1035533124 /nfs/dbraw/zinc/53/31/24/1035533124.db2.gz AUVBTFWWUAGNQB-VQTJNVASSA-N 2 2 318.505 3.650 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cncc(F)c2)c(C)c1 ZINC000494579045 1035566933 /nfs/dbraw/zinc/56/69/33/1035566933.db2.gz NNNIZJWDSWJDSH-LJQANCHMSA-N 2 2 324.403 3.565 20 0 DHADLP CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001180786232 1035759205 /nfs/dbraw/zinc/75/92/05/1035759205.db2.gz CSRHWVKMEGJHNJ-KURKYZTESA-N 2 2 303.494 3.891 20 0 DHADLP CC[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001180786232 1035759218 /nfs/dbraw/zinc/75/92/18/1035759218.db2.gz CSRHWVKMEGJHNJ-KURKYZTESA-N 2 2 303.494 3.891 20 0 DHADLP CCSCCC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001181135754 1035847583 /nfs/dbraw/zinc/84/75/83/1035847583.db2.gz VHXXZEWYAWMEQC-WMZOPIPTSA-N 2 2 306.519 3.630 20 0 DHADLP CCSCCC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001181135754 1035847599 /nfs/dbraw/zinc/84/75/99/1035847599.db2.gz VHXXZEWYAWMEQC-WMZOPIPTSA-N 2 2 306.519 3.630 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC001181436390 1035922979 /nfs/dbraw/zinc/92/29/79/1035922979.db2.gz QVASGHNMFVGSJN-YESZJQIVSA-N 2 2 322.537 3.823 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC001181436390 1035922988 /nfs/dbraw/zinc/92/29/88/1035922988.db2.gz QVASGHNMFVGSJN-YESZJQIVSA-N 2 2 322.537 3.823 20 0 DHADLP CC[C@@H](C)[C@@H](C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC001181536120 1035934100 /nfs/dbraw/zinc/93/41/00/1035934100.db2.gz XQPSKLGCLSIJHE-YLJYHZDGSA-N 2 2 318.505 3.644 20 0 DHADLP CC[C@@H](C)[C@@H](C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC001181536120 1035934102 /nfs/dbraw/zinc/93/41/02/1035934102.db2.gz XQPSKLGCLSIJHE-YLJYHZDGSA-N 2 2 318.505 3.644 20 0 DHADLP CC[C@@H](C)[C@H](C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC001181536119 1035936684 /nfs/dbraw/zinc/93/66/84/1035936684.db2.gz XQPSKLGCLSIJHE-XLIONFOSSA-N 2 2 318.505 3.644 20 0 DHADLP CC[C@@H](C)[C@H](C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC001181536119 1035936695 /nfs/dbraw/zinc/93/66/95/1035936695.db2.gz XQPSKLGCLSIJHE-XLIONFOSSA-N 2 2 318.505 3.644 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(F)F)cc1F ZINC001181515733 1035939143 /nfs/dbraw/zinc/93/91/43/1035939143.db2.gz WZBCHVITDJYLGL-UHFFFAOYSA-N 2 2 318.383 3.591 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(F)F)cc1F ZINC001181515733 1035939157 /nfs/dbraw/zinc/93/91/57/1035939157.db2.gz WZBCHVITDJYLGL-UHFFFAOYSA-N 2 2 318.383 3.591 20 0 DHADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435681 1035947744 /nfs/dbraw/zinc/94/77/44/1035947744.db2.gz JHAFTPHLUXMIMQ-VXGBXAGGSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435681 1035947747 /nfs/dbraw/zinc/94/77/47/1035947747.db2.gz JHAFTPHLUXMIMQ-VXGBXAGGSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@H](CSCCF)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001181914068 1036047456 /nfs/dbraw/zinc/04/74/56/1036047456.db2.gz UQVWEWOGGVRAMA-MRXNPFEDSA-N 2 2 324.509 3.722 20 0 DHADLP C[C@H](CSCCF)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001181914068 1036047464 /nfs/dbraw/zinc/04/74/64/1036047464.db2.gz UQVWEWOGGVRAMA-MRXNPFEDSA-N 2 2 324.509 3.722 20 0 DHADLP CCc1ccc([C@@H](C[NH2+]C[C@H]2CCC=CO2)[NH+](CC)CC)cc1 ZINC001182109888 1036096937 /nfs/dbraw/zinc/09/69/37/1036096937.db2.gz UQVWKIOGEOZJSB-WOJBJXKFSA-N 2 2 316.489 3.914 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C/C=C/c2ccncc2)C1 ZINC000494995238 1036179116 /nfs/dbraw/zinc/17/91/16/1036179116.db2.gz LTCYUJDOTNRWGE-WESDXNOOSA-N 2 2 313.489 3.681 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C/C=C/c2ccncc2)C1 ZINC000494995238 1036179123 /nfs/dbraw/zinc/17/91/23/1036179123.db2.gz LTCYUJDOTNRWGE-WESDXNOOSA-N 2 2 313.489 3.681 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C/C=C/c2ccncc2)C1 ZINC000494995238 1036179128 /nfs/dbraw/zinc/17/91/28/1036179128.db2.gz LTCYUJDOTNRWGE-WESDXNOOSA-N 2 2 313.489 3.681 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C/C=C/c2ccncc2)C1 ZINC000494995238 1036179139 /nfs/dbraw/zinc/17/91/39/1036179139.db2.gz LTCYUJDOTNRWGE-WESDXNOOSA-N 2 2 313.489 3.681 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000540982637 1036207614 /nfs/dbraw/zinc/20/76/14/1036207614.db2.gz NEMFOGWVHCSUPM-CQSZACIVSA-N 2 2 307.507 3.574 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000540982637 1036207630 /nfs/dbraw/zinc/20/76/30/1036207630.db2.gz NEMFOGWVHCSUPM-CQSZACIVSA-N 2 2 307.507 3.574 20 0 DHADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc(-c4ccccc4)cs3)[C@@H]2C1 ZINC000495092596 1036238845 /nfs/dbraw/zinc/23/88/45/1036238845.db2.gz XGFQDDWQEHXDRP-QFBILLFUSA-N 2 2 312.482 3.941 20 0 DHADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc(-c4ccccc4)cs3)[C@@H]2C1 ZINC000495092596 1036238864 /nfs/dbraw/zinc/23/88/64/1036238864.db2.gz XGFQDDWQEHXDRP-QFBILLFUSA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)cs3)[C@@H]2C1 ZINC000495092596 1036238883 /nfs/dbraw/zinc/23/88/83/1036238883.db2.gz XGFQDDWQEHXDRP-QFBILLFUSA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)cs3)[C@@H]2C1 ZINC000495092596 1036238900 /nfs/dbraw/zinc/23/89/00/1036238900.db2.gz XGFQDDWQEHXDRP-QFBILLFUSA-N 2 2 312.482 3.941 20 0 DHADLP CC[N@H+](CCc1ccccc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541536201 1036355810 /nfs/dbraw/zinc/35/58/10/1036355810.db2.gz DVZLAVDWOHHBBR-UHFFFAOYSA-N 2 2 311.454 3.998 20 0 DHADLP CC[N@@H+](CCc1ccccc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541536201 1036355829 /nfs/dbraw/zinc/35/58/29/1036355829.db2.gz DVZLAVDWOHHBBR-UHFFFAOYSA-N 2 2 311.454 3.998 20 0 DHADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000541771107 1036428434 /nfs/dbraw/zinc/42/84/34/1036428434.db2.gz MKGCOEUGBVYSMD-AJNOYIKESA-N 2 2 320.427 3.928 20 0 DHADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000541771107 1036428440 /nfs/dbraw/zinc/42/84/40/1036428440.db2.gz MKGCOEUGBVYSMD-AJNOYIKESA-N 2 2 320.427 3.928 20 0 DHADLP C(=C/c1ccncc1)\C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000486969645 1036479811 /nfs/dbraw/zinc/47/98/11/1036479811.db2.gz PYJPJTUJXDBFSO-VHTFYLNKSA-N 2 2 321.468 3.739 20 0 DHADLP C(=C/c1ccncc1)\C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000486969645 1036479821 /nfs/dbraw/zinc/47/98/21/1036479821.db2.gz PYJPJTUJXDBFSO-VHTFYLNKSA-N 2 2 321.468 3.739 20 0 DHADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cscc1Cl ZINC001183065469 1036515943 /nfs/dbraw/zinc/51/59/43/1036515943.db2.gz LRWCEWSIJOLBHT-SWLSCSKDSA-N 2 2 300.899 3.954 20 0 DHADLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cscc1Cl ZINC001183065469 1036515959 /nfs/dbraw/zinc/51/59/59/1036515959.db2.gz LRWCEWSIJOLBHT-SWLSCSKDSA-N 2 2 300.899 3.954 20 0 DHADLP C[C@@]1([NH3+])CCC[N@H+](C/C(Br)=C/c2ccccc2)CC1 ZINC001205254763 1036520605 /nfs/dbraw/zinc/52/06/05/1036520605.db2.gz AXPHGUZQXXVFAJ-RTYFKUQISA-N 2 2 323.278 3.626 20 0 DHADLP C[C@@]1([NH3+])CCC[N@@H+](C/C(Br)=C/c2ccccc2)CC1 ZINC001205254763 1036520609 /nfs/dbraw/zinc/52/06/09/1036520609.db2.gz AXPHGUZQXXVFAJ-RTYFKUQISA-N 2 2 323.278 3.626 20 0 DHADLP CSCC[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477729 1036786425 /nfs/dbraw/zinc/78/64/25/1036786425.db2.gz WJPCXVLROVWLPI-WBVHZDCISA-N 2 2 306.519 3.771 20 0 DHADLP CSCC[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477729 1036786433 /nfs/dbraw/zinc/78/64/33/1036786433.db2.gz WJPCXVLROVWLPI-WBVHZDCISA-N 2 2 306.519 3.771 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)CCc1cc(Cl)ccc1Cl ZINC000488121783 1036867234 /nfs/dbraw/zinc/86/72/34/1036867234.db2.gz FTTMNEUEKBGPBU-UHFFFAOYSA-N 2 2 312.244 3.755 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1cc(Cl)ccc1Cl ZINC000488121783 1036867257 /nfs/dbraw/zinc/86/72/57/1036867257.db2.gz FTTMNEUEKBGPBU-UHFFFAOYSA-N 2 2 312.244 3.755 20 0 DHADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001168494312 1036954752 /nfs/dbraw/zinc/95/47/52/1036954752.db2.gz BAKVOBNUMONGFW-HNNXBMFYSA-N 2 2 322.443 3.655 20 0 DHADLP Fc1ccc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)[nH]c2c1 ZINC000488350410 1036975328 /nfs/dbraw/zinc/97/53/28/1036975328.db2.gz LGGHRABPEXFBCV-HNNXBMFYSA-N 2 2 315.436 3.615 20 0 DHADLP Fc1ccc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)[nH]c2c1 ZINC000488350410 1036975348 /nfs/dbraw/zinc/97/53/48/1036975348.db2.gz LGGHRABPEXFBCV-HNNXBMFYSA-N 2 2 315.436 3.615 20 0 DHADLP CC[NH+](CC)Cc1cccc(NCc2cccc3[nH+]ccn32)c1 ZINC001199464853 1037264313 /nfs/dbraw/zinc/26/43/13/1037264313.db2.gz QHEDHZRPZPWQSA-UHFFFAOYSA-N 2 2 308.429 3.788 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H]2CCC=CO2)c(C)c1 ZINC000775031079 1037439229 /nfs/dbraw/zinc/43/92/29/1037439229.db2.gz AOTJKGGBCQERCY-PKOBYXMFSA-N 2 2 311.429 3.524 20 0 DHADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@]2([NH+](C)C)CCSC2)c(C)c1 ZINC001200871989 1037453513 /nfs/dbraw/zinc/45/35/13/1037453513.db2.gz HAMRKWAUMFAKRH-OVKVCFKUSA-N 2 2 318.530 3.652 20 0 DHADLP C[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C(C)(C)C ZINC000670262991 1037457327 /nfs/dbraw/zinc/45/73/27/1037457327.db2.gz QSQXZFFYRYVVQG-QGZVFWFLSA-N 2 2 317.521 3.703 20 0 DHADLP C[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C(C)(C)C ZINC000670262991 1037457334 /nfs/dbraw/zinc/45/73/34/1037457334.db2.gz QSQXZFFYRYVVQG-QGZVFWFLSA-N 2 2 317.521 3.703 20 0 DHADLP CCSc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929803225 1037466732 /nfs/dbraw/zinc/46/67/32/1037466732.db2.gz FLEVNDURQRFJPO-UHFFFAOYSA-N 2 2 301.459 3.832 20 0 DHADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000493889394 1037582621 /nfs/dbraw/zinc/58/26/21/1037582621.db2.gz VBGDYDYPWVHWBS-OXJNMPFZSA-N 2 2 321.424 3.738 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000183727893 1037706828 /nfs/dbraw/zinc/70/68/28/1037706828.db2.gz MADZJPSOBPVEKQ-UHFFFAOYSA-N 2 2 315.383 3.842 20 0 DHADLP CCCc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000187124385 1037947881 /nfs/dbraw/zinc/94/78/81/1037947881.db2.gz VOFVSYXULNFXIQ-UHFFFAOYSA-N 2 2 309.457 3.793 20 0 DHADLP COc1ccc(F)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000187597137 1037978974 /nfs/dbraw/zinc/97/89/74/1037978974.db2.gz CUUJWJCGUQQBBH-UHFFFAOYSA-N 2 2 320.452 3.721 20 0 DHADLP CC[C@]1(C)CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001191216066 1038464301 /nfs/dbraw/zinc/46/43/01/1038464301.db2.gz YLFJANXHIKPLDK-HXUWFJFHSA-N 2 2 316.489 3.531 20 0 DHADLP CC[C@]1(C)CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001191216066 1038464307 /nfs/dbraw/zinc/46/43/07/1038464307.db2.gz YLFJANXHIKPLDK-HXUWFJFHSA-N 2 2 316.489 3.531 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc(F)cc2Cl)C1 ZINC000572807967 1038502598 /nfs/dbraw/zinc/50/25/98/1038502598.db2.gz RYFWDQXHHHRXRR-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc(F)cc2Cl)C1 ZINC000572807967 1038502605 /nfs/dbraw/zinc/50/26/05/1038502605.db2.gz RYFWDQXHHHRXRR-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000572807967 1038502613 /nfs/dbraw/zinc/50/26/13/1038502613.db2.gz RYFWDQXHHHRXRR-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000572807967 1038502618 /nfs/dbraw/zinc/50/26/18/1038502618.db2.gz RYFWDQXHHHRXRR-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cn1 ZINC000775489725 1038563537 /nfs/dbraw/zinc/56/35/37/1038563537.db2.gz QUYRCZOIHJSWOS-CYBMUJFWSA-N 2 2 312.804 3.772 20 0 DHADLP Nc1[nH+]cccc1CS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000603342629 1038933273 /nfs/dbraw/zinc/93/32/73/1038933273.db2.gz KKYPDGXLCJOAIH-KRWDZBQOSA-N 2 2 313.470 3.562 20 0 DHADLP Nc1[nH+]cccc1CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000603342629 1038933279 /nfs/dbraw/zinc/93/32/79/1038933279.db2.gz KKYPDGXLCJOAIH-KRWDZBQOSA-N 2 2 313.470 3.562 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000574080922 1039388264 /nfs/dbraw/zinc/38/82/64/1039388264.db2.gz ASQPTPCYYYRPMV-UHFFFAOYSA-N 2 2 317.502 3.892 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000574080922 1039388312 /nfs/dbraw/zinc/38/83/12/1039388312.db2.gz ASQPTPCYYYRPMV-UHFFFAOYSA-N 2 2 317.502 3.892 20 0 DHADLP CC[N@H+](CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000498443940 1039908189 /nfs/dbraw/zinc/90/81/89/1039908189.db2.gz NDVUUFLUVRMUJG-GOSISDBHSA-N 2 2 302.437 3.836 20 0 DHADLP CC[N@@H+](CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000498443940 1039908208 /nfs/dbraw/zinc/90/82/08/1039908208.db2.gz NDVUUFLUVRMUJG-GOSISDBHSA-N 2 2 302.437 3.836 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000076902571 1040142276 /nfs/dbraw/zinc/14/22/76/1040142276.db2.gz AAHAYBDIGCBZJY-LJQANCHMSA-N 2 2 306.413 3.754 20 0 DHADLP Clc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608082571 1040368772 /nfs/dbraw/zinc/36/87/72/1040368772.db2.gz GHWZVOHNZQYJAC-AWEZNQCLSA-N 2 2 312.804 3.926 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCO[C@@H]3c3ccccc3)n2c1 ZINC000328628915 231261132 /nfs/dbraw/zinc/26/11/32/231261132.db2.gz OEHKCPZGZOTMTE-YLJYHZDGSA-N 2 2 321.424 3.510 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000090667216 185308534 /nfs/dbraw/zinc/30/85/34/185308534.db2.gz LCTDZZPRGWTEMB-IIBYNOLFSA-N 2 2 321.468 3.884 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccccc3)n2)C1 ZINC000081533021 192284940 /nfs/dbraw/zinc/28/49/40/192284940.db2.gz VUWIBKMOVNBZNP-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccccc3)n2)C1 ZINC000081533021 192284944 /nfs/dbraw/zinc/28/49/44/192284944.db2.gz VUWIBKMOVNBZNP-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000081533021 192284947 /nfs/dbraw/zinc/28/49/47/192284947.db2.gz VUWIBKMOVNBZNP-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000081533021 192284950 /nfs/dbraw/zinc/28/49/50/192284950.db2.gz VUWIBKMOVNBZNP-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000091961213 193132336 /nfs/dbraw/zinc/13/23/36/193132336.db2.gz QEDMKLXEDIPEGT-HOCLYGCPSA-N 2 2 318.490 3.621 20 0 DHADLP CC(C)Cc1ncc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000091961213 193132337 /nfs/dbraw/zinc/13/23/37/193132337.db2.gz QEDMKLXEDIPEGT-HOCLYGCPSA-N 2 2 318.490 3.621 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000093318628 193231953 /nfs/dbraw/zinc/23/19/53/193231953.db2.gz OIERJDPXRLIINV-HKUYNNGSSA-N 2 2 311.473 3.510 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccn2C)CC[N@H+]1Cc1ccccc1 ZINC000093318628 193231955 /nfs/dbraw/zinc/23/19/55/193231955.db2.gz OIERJDPXRLIINV-HKUYNNGSSA-N 2 2 311.473 3.510 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccn2C)CC[NH+]1Cc1ccccc1 ZINC000093318628 193231957 /nfs/dbraw/zinc/23/19/57/193231957.db2.gz OIERJDPXRLIINV-HKUYNNGSSA-N 2 2 311.473 3.510 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccn2C)CC[NH+]1Cc1ccccc1 ZINC000093318628 193231958 /nfs/dbraw/zinc/23/19/58/193231958.db2.gz OIERJDPXRLIINV-HKUYNNGSSA-N 2 2 311.473 3.510 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000093300490 193226130 /nfs/dbraw/zinc/22/61/30/193226130.db2.gz LXIKMNCTRXFILF-UHFFFAOYSA-N 2 2 324.428 3.732 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000019232630 182109953 /nfs/dbraw/zinc/10/99/53/182109953.db2.gz KDTJJOMETYSHTE-GOSISDBHSA-N 2 2 300.471 3.983 20 0 DHADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000020126905 182189707 /nfs/dbraw/zinc/18/97/07/182189707.db2.gz IGLKDNNPBGJJBZ-OAHLLOKOSA-N 2 2 311.267 3.586 20 0 DHADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000020506205 182225650 /nfs/dbraw/zinc/22/56/50/182225650.db2.gz IIADPGJCURNLCM-HNNXBMFYSA-N 2 2 322.250 3.777 20 0 DHADLP CCc1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000563840394 335040189 /nfs/dbraw/zinc/04/01/89/335040189.db2.gz DFEUSGBAMIDSII-UHFFFAOYSA-N 2 2 312.457 3.938 20 0 DHADLP CCc1ccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000563840394 335040191 /nfs/dbraw/zinc/04/01/91/335040191.db2.gz DFEUSGBAMIDSII-UHFFFAOYSA-N 2 2 312.457 3.938 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000273015692 130082776 /nfs/dbraw/zinc/08/27/76/130082776.db2.gz YKJPOORKBHPQBS-GDBMZVCRSA-N 2 2 301.409 3.750 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000273015692 130082777 /nfs/dbraw/zinc/08/27/77/130082777.db2.gz YKJPOORKBHPQBS-GDBMZVCRSA-N 2 2 301.409 3.750 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000273336851 130107859 /nfs/dbraw/zinc/10/78/59/130107859.db2.gz VIPIFJMBVJWEIR-GOEBONIOSA-N 2 2 315.486 3.945 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000273336851 130107861 /nfs/dbraw/zinc/10/78/61/130107861.db2.gz VIPIFJMBVJWEIR-GOEBONIOSA-N 2 2 315.486 3.945 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000281360947 130855553 /nfs/dbraw/zinc/85/55/53/130855553.db2.gz WBUGIAIQZCNIQV-OLZOCXBDSA-N 2 2 311.351 3.511 20 0 DHADLP c1cc2cccc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)c2[nH]1 ZINC000340201603 131149011 /nfs/dbraw/zinc/14/90/11/131149011.db2.gz UUQCQDKJOBREBK-UHFFFAOYSA-N 2 2 316.408 3.703 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCCCF)CC1 ZINC000285516459 131176726 /nfs/dbraw/zinc/17/67/26/131176726.db2.gz GARGLFZPPAUCFQ-UHFFFAOYSA-N 2 2 303.425 3.985 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000286270198 131227517 /nfs/dbraw/zinc/22/75/17/131227517.db2.gz VIBNQDRINIGFHK-HOTGVXAUSA-N 2 2 306.413 3.988 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000287421254 131279518 /nfs/dbraw/zinc/27/95/18/131279518.db2.gz SGSBLWYUHISWKL-SQGPQFPESA-N 2 2 309.457 3.704 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287421254 131279520 /nfs/dbraw/zinc/27/95/20/131279520.db2.gz SGSBLWYUHISWKL-SQGPQFPESA-N 2 2 309.457 3.704 20 0 DHADLP Cc1cccc2[nH]cc(CC[NH2+]CCCc3c[nH+]ccc3C)c21 ZINC000289053740 131354695 /nfs/dbraw/zinc/35/46/95/131354695.db2.gz BODCQENBCSUKGK-UHFFFAOYSA-N 2 2 307.441 3.945 20 0 DHADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000289233678 131368089 /nfs/dbraw/zinc/36/80/89/131368089.db2.gz YVTBCXOUMXHHKA-XYHHVPKHSA-N 2 2 303.356 3.581 20 0 DHADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000289233678 131368091 /nfs/dbraw/zinc/36/80/91/131368091.db2.gz YVTBCXOUMXHHKA-XYHHVPKHSA-N 2 2 303.356 3.581 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289336143 131375204 /nfs/dbraw/zinc/37/52/04/131375204.db2.gz VPRTZCPJYTVJTM-CHWSQXEVSA-N 2 2 311.351 3.684 20 0 DHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccnc1Cl ZINC000289538104 131394791 /nfs/dbraw/zinc/39/47/91/131394791.db2.gz WOXXJRFBJNWXAU-UHFFFAOYSA-N 2 2 317.864 3.819 20 0 DHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccnc1Cl ZINC000289538104 131394792 /nfs/dbraw/zinc/39/47/92/131394792.db2.gz WOXXJRFBJNWXAU-UHFFFAOYSA-N 2 2 317.864 3.819 20 0 DHADLP C[C@H]([NH2+]C(C)(C)CN[C@H]1C[C@@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000297592447 132024466 /nfs/dbraw/zinc/02/44/66/132024466.db2.gz HPXMPTCIMIODQW-VYDXJSESSA-N 2 2 312.461 3.608 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCc3ccccc3C2)c[nH+]1 ZINC000298397510 132060713 /nfs/dbraw/zinc/06/07/13/132060713.db2.gz IQUWOOVFIMJZAJ-NRFANRHFSA-N 2 2 317.436 3.579 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298434497 132063096 /nfs/dbraw/zinc/06/30/96/132063096.db2.gz NDLLKZPLCFMIFQ-CYBMUJFWSA-N 2 2 303.837 3.842 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298434497 132063099 /nfs/dbraw/zinc/06/30/99/132063099.db2.gz NDLLKZPLCFMIFQ-CYBMUJFWSA-N 2 2 303.837 3.842 20 0 DHADLP COCc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119575788 132134512 /nfs/dbraw/zinc/13/45/12/132134512.db2.gz KUOOGEHRSMJCAC-MRXNPFEDSA-N 2 2 321.424 3.870 20 0 DHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000353646712 132159652 /nfs/dbraw/zinc/15/96/52/132159652.db2.gz JBBWLCFXZZVUBK-KRWDZBQOSA-N 2 2 320.525 3.561 20 0 DHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000353646712 132159654 /nfs/dbraw/zinc/15/96/54/132159654.db2.gz JBBWLCFXZZVUBK-KRWDZBQOSA-N 2 2 320.525 3.561 20 0 DHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000353646712 132159655 /nfs/dbraw/zinc/15/96/55/132159655.db2.gz JBBWLCFXZZVUBK-KRWDZBQOSA-N 2 2 320.525 3.561 20 0 DHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000353646712 132159657 /nfs/dbraw/zinc/15/96/57/132159657.db2.gz JBBWLCFXZZVUBK-KRWDZBQOSA-N 2 2 320.525 3.561 20 0 DHADLP Cc1cccc(CC[C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000128956263 196007696 /nfs/dbraw/zinc/00/76/96/196007696.db2.gz DLSPMIVHZPWPBX-GOSISDBHSA-N 2 2 323.484 3.970 20 0 DHADLP C[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000525870156 335071378 /nfs/dbraw/zinc/07/13/78/335071378.db2.gz TYINMLBREKUMGW-OAHLLOKOSA-N 2 2 309.388 3.905 20 0 DHADLP c1cn(CCC[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c[nH+]1 ZINC000343317449 335072181 /nfs/dbraw/zinc/07/21/81/335072181.db2.gz VLUYUDIHUQYBLX-FQEVSTJZSA-N 2 2 309.457 3.643 20 0 DHADLP c1cn(CCC[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c[nH+]1 ZINC000343317449 335072182 /nfs/dbraw/zinc/07/21/82/335072182.db2.gz VLUYUDIHUQYBLX-FQEVSTJZSA-N 2 2 309.457 3.643 20 0 DHADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1Br ZINC000343318919 335075788 /nfs/dbraw/zinc/07/57/88/335075788.db2.gz HLIFXNCXVSLTST-UHFFFAOYSA-N 2 2 322.250 3.558 20 0 DHADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1Br ZINC000343318919 335075790 /nfs/dbraw/zinc/07/57/90/335075790.db2.gz HLIFXNCXVSLTST-UHFFFAOYSA-N 2 2 322.250 3.558 20 0 DHADLP Cn1c2ccccc2[nH+]c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000536501525 435385918 /nfs/dbraw/zinc/38/59/18/435385918.db2.gz HMMGQERUZCMEHT-UHFFFAOYSA-N 2 2 307.401 3.702 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]CCn1c(C)[nH+]c3ccccc31)CC2 ZINC000173228756 332825638 /nfs/dbraw/zinc/82/56/38/332825638.db2.gz GYLXNQZMXSQAPK-GOSISDBHSA-N 2 2 321.424 3.630 20 0 DHADLP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000179392419 331523164 /nfs/dbraw/zinc/52/31/64/331523164.db2.gz CBTSDTTZRRWKRK-STQMWFEESA-N 2 2 311.351 3.684 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000071008783 331665217 /nfs/dbraw/zinc/66/52/17/331665217.db2.gz JIKAZLGFWGUEEU-XJKSGUPXSA-N 2 2 309.413 3.851 20 0 DHADLP Cn1c2ccc(Nc3[nH+]cnc4[nH]ccc43)cc2[nH+]c1C(C)(C)C ZINC000536339097 331698153 /nfs/dbraw/zinc/69/81/53/331698153.db2.gz RNVBHDBQNUMKSA-UHFFFAOYSA-N 2 2 320.400 3.886 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000584228503 331871439 /nfs/dbraw/zinc/87/14/39/331871439.db2.gz AVSUBTYBVBACBK-MAUKXSAKSA-N 2 2 306.413 3.827 20 0 DHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000558258951 331889231 /nfs/dbraw/zinc/88/92/31/331889231.db2.gz TWZVBEWFNGMOAK-OLZOCXBDSA-N 2 2 302.384 3.566 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)n1C ZINC000521069565 332016045 /nfs/dbraw/zinc/01/60/45/332016045.db2.gz NKFKLUVOLJGNRM-INIZCTEOSA-N 2 2 307.800 3.762 20 0 DHADLP c1ccc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc2c1 ZINC000569355556 332028780 /nfs/dbraw/zinc/02/87/80/332028780.db2.gz QLOVERJXBJMLBV-OAQYLSRUSA-N 2 2 324.468 3.527 20 0 DHADLP c1ccc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc2c1 ZINC000569355556 332028782 /nfs/dbraw/zinc/02/87/82/332028782.db2.gz QLOVERJXBJMLBV-OAQYLSRUSA-N 2 2 324.468 3.527 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2Br)c2ccccc21 ZINC000132047709 332089362 /nfs/dbraw/zinc/08/93/62/332089362.db2.gz QFLMPEVGAWGPFH-JKSUJKDBSA-N 2 2 317.230 3.684 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000211903096 332091924 /nfs/dbraw/zinc/09/19/24/332091924.db2.gz BHQSDPMUKLIIFG-GHMZBOCLSA-N 2 2 317.246 3.579 20 0 DHADLP CCC(C)(C)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427005957 332164427 /nfs/dbraw/zinc/16/44/27/332164427.db2.gz WDGNCNBXJCAJQW-UHFFFAOYSA-N 2 2 317.521 3.847 20 0 DHADLP CCC(C)(C)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427005957 332164430 /nfs/dbraw/zinc/16/44/30/332164430.db2.gz WDGNCNBXJCAJQW-UHFFFAOYSA-N 2 2 317.521 3.847 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C[N@@H+]1C1CC1 ZINC000449432697 332175673 /nfs/dbraw/zinc/17/56/73/332175673.db2.gz IRQDXUYVISNVAT-OSFYFWSMSA-N 2 2 304.400 3.712 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C[N@H+]1C1CC1 ZINC000449432697 332175674 /nfs/dbraw/zinc/17/56/74/332175674.db2.gz IRQDXUYVISNVAT-OSFYFWSMSA-N 2 2 304.400 3.712 20 0 DHADLP CCCn1c2ccccc2[nH+]c1NCc1cccc2[nH+]ccn21 ZINC000181479430 332195938 /nfs/dbraw/zinc/19/59/38/332195938.db2.gz JPYJXXOCTMDOGA-UHFFFAOYSA-N 2 2 305.385 3.706 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)C[N@@H+]1C1CC1 ZINC000560266904 332325336 /nfs/dbraw/zinc/32/53/36/332325336.db2.gz AZPRJWVWMWBCBX-XJKSGUPXSA-N 2 2 304.865 3.934 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)C[N@H+]1C1CC1 ZINC000560266904 332325338 /nfs/dbraw/zinc/32/53/38/332325338.db2.gz AZPRJWVWMWBCBX-XJKSGUPXSA-N 2 2 304.865 3.934 20 0 DHADLP C[NH+](CCC[N@@H+](C)CCCc1cccc(F)c1)Cc1ccco1 ZINC000560539348 332355130 /nfs/dbraw/zinc/35/51/30/332355130.db2.gz HIWHZXXCMBOQDP-UHFFFAOYSA-N 2 2 318.436 3.805 20 0 DHADLP C[NH+](CCC[N@H+](C)CCCc1cccc(F)c1)Cc1ccco1 ZINC000560539348 332355132 /nfs/dbraw/zinc/35/51/32/332355132.db2.gz HIWHZXXCMBOQDP-UHFFFAOYSA-N 2 2 318.436 3.805 20 0 DHADLP C[NH+](CCCc1cccc(F)c1)CCC[N@H+](C)Cc1ccco1 ZINC000560539348 332355134 /nfs/dbraw/zinc/35/51/34/332355134.db2.gz HIWHZXXCMBOQDP-UHFFFAOYSA-N 2 2 318.436 3.805 20 0 DHADLP C[NH+](CCCc1cccc(F)c1)CCC[N@@H+](C)Cc1ccco1 ZINC000560539348 332355136 /nfs/dbraw/zinc/35/51/36/332355136.db2.gz HIWHZXXCMBOQDP-UHFFFAOYSA-N 2 2 318.436 3.805 20 0 DHADLP C[C@@H](C[N@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000560541493 332355378 /nfs/dbraw/zinc/35/53/78/332355378.db2.gz OQEUBIMRXLSUGN-KRWDZBQOSA-N 2 2 300.446 3.837 20 0 DHADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000560541493 332355379 /nfs/dbraw/zinc/35/53/79/332355379.db2.gz OQEUBIMRXLSUGN-KRWDZBQOSA-N 2 2 300.446 3.837 20 0 DHADLP C[C@@H](C[NH+](C)CCC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000560541493 332355380 /nfs/dbraw/zinc/35/53/80/332355380.db2.gz OQEUBIMRXLSUGN-KRWDZBQOSA-N 2 2 300.446 3.837 20 0 DHADLP C[C@@H](C[NH+](C)CCC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000560541493 332355381 /nfs/dbraw/zinc/35/53/81/332355381.db2.gz OQEUBIMRXLSUGN-KRWDZBQOSA-N 2 2 300.446 3.837 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1Cl ZINC000427844118 332537206 /nfs/dbraw/zinc/53/72/06/332537206.db2.gz NMIPMAYXKBUATG-JQWIXIFHSA-N 2 2 310.228 3.856 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000427855245 332543689 /nfs/dbraw/zinc/54/36/89/332543689.db2.gz CJYSDUHWINZJRE-CMPLNLGQSA-N 2 2 310.228 3.856 20 0 DHADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427877199 332552742 /nfs/dbraw/zinc/55/27/42/332552742.db2.gz OBHKNWWORWDIOP-VXGBXAGGSA-N 2 2 309.866 3.524 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1F ZINC000427888489 332555578 /nfs/dbraw/zinc/55/55/78/332555578.db2.gz UAAANVQVSQHANN-DYVFJYSZSA-N 2 2 321.827 3.977 20 0 DHADLP C[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000564758173 332636117 /nfs/dbraw/zinc/63/61/17/332636117.db2.gz BLIHGEPTGJGAEU-CYBMUJFWSA-N 2 2 311.351 3.752 20 0 DHADLP CC[NH2+]CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000570320917 332738913 /nfs/dbraw/zinc/73/89/13/332738913.db2.gz MXGLIWIQFRLONM-IBGZPJMESA-N 2 2 316.420 3.513 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000580223229 333024591 /nfs/dbraw/zinc/02/45/91/333024591.db2.gz CQVGAQMCUQYMLP-OAHLLOKOSA-N 2 2 315.486 3.630 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000580223229 333024593 /nfs/dbraw/zinc/02/45/93/333024593.db2.gz CQVGAQMCUQYMLP-OAHLLOKOSA-N 2 2 315.486 3.630 20 0 DHADLP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000366822711 335122312 /nfs/dbraw/zinc/12/23/12/335122312.db2.gz JJCWAUDAYUPLQP-AQNXPRMDSA-N 2 2 315.505 3.852 20 0 DHADLP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000366822711 335122313 /nfs/dbraw/zinc/12/23/13/335122313.db2.gz JJCWAUDAYUPLQP-AQNXPRMDSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1sccc1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000314317410 333101395 /nfs/dbraw/zinc/10/13/95/333101395.db2.gz YFMCOCOSPJPUSQ-SFHVURJKSA-N 2 2 300.471 3.983 20 0 DHADLP Cc1cccc([C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccn2)c1 ZINC000179534281 333152162 /nfs/dbraw/zinc/15/21/62/333152162.db2.gz VPDBRDQZCZSRRZ-IMFGXOCKSA-N 2 2 309.457 3.552 20 0 DHADLP Cc1cccc([C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccn2)c1 ZINC000179534281 333152164 /nfs/dbraw/zinc/15/21/64/333152164.db2.gz VPDBRDQZCZSRRZ-IMFGXOCKSA-N 2 2 309.457 3.552 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000563884461 335123587 /nfs/dbraw/zinc/12/35/87/335123587.db2.gz DRXQMQVSVOFGSX-FQEVSTJZSA-N 2 2 324.468 3.816 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cncc(F)c1 ZINC000119125103 333244879 /nfs/dbraw/zinc/24/48/79/333244879.db2.gz FROJUIMFZFWSCX-BEFAXECRSA-N 2 2 313.420 3.536 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cncc(F)c1 ZINC000119125103 333244881 /nfs/dbraw/zinc/24/48/81/333244881.db2.gz FROJUIMFZFWSCX-BEFAXECRSA-N 2 2 313.420 3.536 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1F ZINC000390637899 333308736 /nfs/dbraw/zinc/30/87/36/333308736.db2.gz KBJJQBBRDQSOCL-MRXNPFEDSA-N 2 2 300.421 3.744 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1F ZINC000390637899 333308737 /nfs/dbraw/zinc/30/87/37/333308737.db2.gz KBJJQBBRDQSOCL-MRXNPFEDSA-N 2 2 300.421 3.744 20 0 DHADLP CCc1nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)cs1 ZINC000531430279 333351855 /nfs/dbraw/zinc/35/18/55/333351855.db2.gz XQFBDCHWYPHNCW-GOEBONIOSA-N 2 2 309.523 3.696 20 0 DHADLP COC1CCC([NH2+][C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000186572516 333375183 /nfs/dbraw/zinc/37/51/83/333375183.db2.gz RMVAFHJPRBMYER-MHJFOBGBSA-N 2 2 318.505 3.690 20 0 DHADLP COC1CCC([NH2+][C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000186572516 333375185 /nfs/dbraw/zinc/37/51/85/333375185.db2.gz RMVAFHJPRBMYER-MHJFOBGBSA-N 2 2 318.505 3.690 20 0 DHADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000186978215 333383193 /nfs/dbraw/zinc/38/31/93/333383193.db2.gz IGEUYTSVVSQLSD-IBGZPJMESA-N 2 2 307.441 3.734 20 0 DHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000121370679 333386088 /nfs/dbraw/zinc/38/60/88/333386088.db2.gz GYFUXPIEUDJALF-SFHVURJKSA-N 2 2 313.420 3.930 20 0 DHADLP CC1(C)C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C(C)(C)O1 ZINC000391297912 333434664 /nfs/dbraw/zinc/43/46/64/333434664.db2.gz SSWBLZBXSGHGLS-ROUUACIJSA-N 2 2 316.489 3.759 20 0 DHADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000531692670 333545968 /nfs/dbraw/zinc/54/59/68/333545968.db2.gz UWNAPEXVRLEPAK-FCEWJHQRSA-N 2 2 304.478 3.856 20 0 DHADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000563571230 333626598 /nfs/dbraw/zinc/62/65/98/333626598.db2.gz MQEUSERBRFNHGX-FOIQADDNSA-N 2 2 314.473 3.895 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)n1C ZINC000571227099 333685843 /nfs/dbraw/zinc/68/58/43/333685843.db2.gz ZYMKVKOMSYSIIZ-GOSISDBHSA-N 2 2 301.409 3.889 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)c1 ZINC000414130738 333899759 /nfs/dbraw/zinc/89/97/59/333899759.db2.gz XVCNGLLLPKLRQR-KRWDZBQOSA-N 2 2 303.837 3.673 20 0 DHADLP Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000414146582 333902784 /nfs/dbraw/zinc/90/27/84/333902784.db2.gz VHRHHDUZEPAQGT-OIISXLGYSA-N 2 2 315.848 3.777 20 0 DHADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000414299444 333935695 /nfs/dbraw/zinc/93/56/95/333935695.db2.gz JSLMLBNIAAUZFN-MOPGFXCFSA-N 2 2 315.505 3.850 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH+]1CCC(c3c[nH]c[nH+]3)CC1)CC2 ZINC000343434941 335164035 /nfs/dbraw/zinc/16/40/35/335164035.db2.gz WWSLVWQJVFSWBZ-QGZVFWFLSA-N 2 2 301.821 3.930 20 0 DHADLP C[N@H+](CCCc1cc(-c2ccccc2)no1)CC[NH2+]C(C)(C)C ZINC000414701306 334070772 /nfs/dbraw/zinc/07/07/72/334070772.db2.gz VSDYHVOFEWJBNF-UHFFFAOYSA-N 2 2 315.461 3.594 20 0 DHADLP C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC[NH2+]C(C)(C)C ZINC000414701306 334070774 /nfs/dbraw/zinc/07/07/74/334070774.db2.gz VSDYHVOFEWJBNF-UHFFFAOYSA-N 2 2 315.461 3.594 20 0 DHADLP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343603019 335176348 /nfs/dbraw/zinc/17/63/48/335176348.db2.gz GAXLHIGEALSZMY-UONOGXRCSA-N 2 2 316.342 3.561 20 0 DHADLP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343603019 335176350 /nfs/dbraw/zinc/17/63/50/335176350.db2.gz GAXLHIGEALSZMY-UONOGXRCSA-N 2 2 316.342 3.561 20 0 DHADLP Clc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000343600310 335176124 /nfs/dbraw/zinc/17/61/24/335176124.db2.gz FSYVXSJMGNLQNB-SJLPKXTDSA-N 2 2 314.816 3.876 20 0 DHADLP Clc1ccc2c(c1)[C@H]([N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000343600310 335176125 /nfs/dbraw/zinc/17/61/25/335176125.db2.gz FSYVXSJMGNLQNB-SJLPKXTDSA-N 2 2 314.816 3.876 20 0 DHADLP Cc1c([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cnn1C(C)(C)C ZINC000276566154 334082042 /nfs/dbraw/zinc/08/20/42/334082042.db2.gz SKZXOWHAQISTHH-AWEZNQCLSA-N 2 2 300.450 3.543 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)[N@@H+]1CCCC[C@H]1C ZINC000438085231 334088506 /nfs/dbraw/zinc/08/85/06/334088506.db2.gz ASPGNWFQDUHWBP-TUVASFSCSA-N 2 2 306.416 3.960 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)[N@H+]1CCCC[C@H]1C ZINC000438085231 334088508 /nfs/dbraw/zinc/08/85/08/334088508.db2.gz ASPGNWFQDUHWBP-TUVASFSCSA-N 2 2 306.416 3.960 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000414813980 334106140 /nfs/dbraw/zinc/10/61/40/334106140.db2.gz NCPUGCRAYRFCAC-OAHLLOKOSA-N 2 2 303.475 3.726 20 0 DHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414837271 334111577 /nfs/dbraw/zinc/11/15/77/334111577.db2.gz JJUHVVYDFDARPT-UXPWSPDFSA-N 3 2 321.553 3.527 20 0 DHADLP [NH3+]C[C@H]([NH2+]Cc1cnc(-c2cccs2)s1)C1CCCCC1 ZINC000414837707 334111852 /nfs/dbraw/zinc/11/18/52/334111852.db2.gz JOCUKCKJEYZEKD-AWEZNQCLSA-N 2 2 321.515 3.869 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000343606896 335176835 /nfs/dbraw/zinc/17/68/35/335176835.db2.gz QUMRUZHUSDFQRO-UHFFFAOYSA-N 2 2 318.358 3.762 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000343606896 335176837 /nfs/dbraw/zinc/17/68/37/335176837.db2.gz QUMRUZHUSDFQRO-UHFFFAOYSA-N 2 2 318.358 3.762 20 0 DHADLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2cccs2)n1)C1CCCCC1 ZINC000414855927 334128898 /nfs/dbraw/zinc/12/88/98/334128898.db2.gz XXRSPYNJCDGJAZ-AWEZNQCLSA-N 2 2 321.515 3.869 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH+]1CCC(c3[nH]cc[nH+]3)CC1)CC2 ZINC000343593135 335180265 /nfs/dbraw/zinc/18/02/65/335180265.db2.gz AGTTZYIWIZBOSQ-INIZCTEOSA-N 2 2 301.821 3.930 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000414932584 334195651 /nfs/dbraw/zinc/19/56/51/334195651.db2.gz CWGQVIHRNXCMEQ-AQNXPRMDSA-N 2 2 312.457 3.633 20 0 DHADLP Cc1nc2ccc(C[NH2+]C[C@@H]3[NH2+]CCc4ccccc43)cc2s1 ZINC000414952436 334207155 /nfs/dbraw/zinc/20/71/55/334207155.db2.gz IGGWOAWQHUDRDE-SFHVURJKSA-N 2 2 323.465 3.581 20 0 DHADLP Cc1ccsc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414959622 334210883 /nfs/dbraw/zinc/21/08/83/334210883.db2.gz XLRAADNHMJQSKH-CJNGLKHVSA-N 2 2 322.424 3.570 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000415048754 334261406 /nfs/dbraw/zinc/26/14/06/334261406.db2.gz XHAOVIYQHYIDPN-IBGZPJMESA-N 2 2 310.441 3.592 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]CCCCOc1ccccc1 ZINC000415064120 334262379 /nfs/dbraw/zinc/26/23/79/334262379.db2.gz JUVSGENXDMBYMD-HXUWFJFHSA-N 2 2 312.457 3.698 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000415072379 334266075 /nfs/dbraw/zinc/26/60/75/334266075.db2.gz YAXBATMUHVZBFC-HXUWFJFHSA-N 2 2 319.452 3.895 20 0 DHADLP CSc1cccc([C@H]([NH2+]CCC[NH3+])c2cc(F)ccc2F)c1 ZINC000415075388 334266881 /nfs/dbraw/zinc/26/68/81/334266881.db2.gz DZTBOXLNTHMPQD-KRWDZBQOSA-N 2 2 322.424 3.715 20 0 DHADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000534525102 334278733 /nfs/dbraw/zinc/27/87/33/334278733.db2.gz SNAWRXDJHWABHQ-NUVSWBFWSA-N 2 2 308.469 3.852 20 0 DHADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000415115002 334283573 /nfs/dbraw/zinc/28/35/73/334283573.db2.gz YDPSYVRQIXHNSF-STQMWFEESA-N 2 2 319.449 3.569 20 0 DHADLP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000531939309 334298653 /nfs/dbraw/zinc/29/86/53/334298653.db2.gz LVGOIXDUNDYMAP-KBXCAEBGSA-N 2 2 301.409 3.716 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000531938977 334299681 /nfs/dbraw/zinc/29/96/81/334299681.db2.gz QMEVNMDUZBDFLQ-CYBMUJFWSA-N 2 2 307.438 3.875 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534973302 334351046 /nfs/dbraw/zinc/35/10/46/334351046.db2.gz ZDPILDCXPIFPOE-NXOUGTEYSA-N 2 2 304.865 3.790 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534973302 334351047 /nfs/dbraw/zinc/35/10/47/334351047.db2.gz ZDPILDCXPIFPOE-NXOUGTEYSA-N 2 2 304.865 3.790 20 0 DHADLP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000443090777 338444221 /nfs/dbraw/zinc/44/42/21/338444221.db2.gz WXQAOKHJSOVXCQ-GOSISDBHSA-N 2 2 301.478 3.604 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000531988597 334362736 /nfs/dbraw/zinc/36/27/36/334362736.db2.gz HEKQANCQEGBHPT-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000531988597 334362737 /nfs/dbraw/zinc/36/27/37/334362737.db2.gz HEKQANCQEGBHPT-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000531988597 334362738 /nfs/dbraw/zinc/36/27/38/334362738.db2.gz HEKQANCQEGBHPT-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000531988597 334362740 /nfs/dbraw/zinc/36/27/40/334362740.db2.gz HEKQANCQEGBHPT-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1F ZINC000531991959 334366274 /nfs/dbraw/zinc/36/62/74/334366274.db2.gz HJKBDALEONEEFI-WQGACYEGSA-N 2 2 308.466 3.681 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1F ZINC000531991959 334366276 /nfs/dbraw/zinc/36/62/76/334366276.db2.gz HJKBDALEONEEFI-WQGACYEGSA-N 2 2 308.466 3.681 20 0 DHADLP Cc1cccc(NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[nH+]1 ZINC000340875067 334392214 /nfs/dbraw/zinc/39/22/14/334392214.db2.gz LHOYZTWJCAOJOI-SFHVURJKSA-N 2 2 313.445 3.892 20 0 DHADLP Cc1c[nH+]c(CNc2ccc(C[NH+]3CCC(C)CC3)cc2)n1C ZINC000341143287 334413024 /nfs/dbraw/zinc/41/30/24/334413024.db2.gz HUBGZMLJFXEDHD-UHFFFAOYSA-N 2 2 312.461 3.573 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000341170651 334415427 /nfs/dbraw/zinc/41/54/27/334415427.db2.gz CYWXRFIPYWDMFM-CQSZACIVSA-N 2 2 301.409 3.750 20 0 DHADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC1(C)C ZINC000417323742 334708543 /nfs/dbraw/zinc/70/85/43/334708543.db2.gz OYTRKAXZZMRRKI-OALUTQOASA-N 2 2 315.505 3.850 20 0 DHADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CC23CC3)CC1 ZINC000417361262 334735533 /nfs/dbraw/zinc/73/55/33/334735533.db2.gz KKYKPKRSTRLIML-HNNXBMFYSA-N 2 2 304.865 3.694 20 0 DHADLP CCC1(CC)[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C[C@H]1OC ZINC000344055324 335213682 /nfs/dbraw/zinc/21/36/82/335213682.db2.gz LDYAGWILDMRQMV-QZTJIDSGSA-N 2 2 313.445 3.556 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C1(CC)CC ZINC000344098371 335218032 /nfs/dbraw/zinc/21/80/32/335218032.db2.gz JYJQVLOPXWIHRI-GVDBMIGSSA-N 2 2 319.493 3.642 20 0 DHADLP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000344154478 335222431 /nfs/dbraw/zinc/22/24/31/335222431.db2.gz WNSDAERXHUCWCY-MRXNPFEDSA-N 2 2 307.507 3.540 20 0 DHADLP Cc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000344154478 335222433 /nfs/dbraw/zinc/22/24/33/335222433.db2.gz WNSDAERXHUCWCY-MRXNPFEDSA-N 2 2 307.507 3.540 20 0 DHADLP COc1ccc(C2(C[NH2+]Cc3cccc4[nH+]ccn43)CCC2)cc1 ZINC000344280181 335235933 /nfs/dbraw/zinc/23/59/33/335235933.db2.gz VQIVDCQURYHHCN-UHFFFAOYSA-N 2 2 321.424 3.554 20 0 DHADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344316412 335240318 /nfs/dbraw/zinc/24/03/18/335240318.db2.gz ZUYUGIZIOLMCHU-PXNSSMCTSA-N 2 2 316.489 3.618 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000344334628 335241919 /nfs/dbraw/zinc/24/19/19/335241919.db2.gz SOTZSBHQXNGNPT-JLZZUVOBSA-N 2 2 320.864 3.626 20 0 DHADLP Cc1ncc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cn1 ZINC000344480672 335252830 /nfs/dbraw/zinc/25/28/30/335252830.db2.gz FTSURIJFARFEHN-INIZCTEOSA-N 2 2 324.472 3.538 20 0 DHADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000344739192 335272447 /nfs/dbraw/zinc/27/24/47/335272447.db2.gz FEIIXVZBTUKKKQ-OPYAIIAOSA-N 2 2 323.484 3.513 20 0 DHADLP C[C@H](Cc1ccncc1)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000344739192 335272448 /nfs/dbraw/zinc/27/24/48/335272448.db2.gz FEIIXVZBTUKKKQ-OPYAIIAOSA-N 2 2 323.484 3.513 20 0 DHADLP CCC[NH+]1CCN(c2ccccc2CNc2ccc(C)[nH+]c2)CC1 ZINC000345008692 335291069 /nfs/dbraw/zinc/29/10/69/335291069.db2.gz ZBRVPFCTSNELDH-UHFFFAOYSA-N 2 2 324.472 3.534 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000125145875 335295051 /nfs/dbraw/zinc/29/50/51/335295051.db2.gz IGXSKELHLDOEBG-CQSZACIVSA-N 2 2 308.441 3.749 20 0 DHADLP C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346176190 335377890 /nfs/dbraw/zinc/37/78/90/335377890.db2.gz OCXWMTSLFJXBNA-CQSZACIVSA-N 2 2 309.438 3.881 20 0 DHADLP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346176190 335377891 /nfs/dbraw/zinc/37/78/91/335377891.db2.gz OCXWMTSLFJXBNA-CQSZACIVSA-N 2 2 309.438 3.881 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)c2)c[nH+]1 ZINC000346180545 335378393 /nfs/dbraw/zinc/37/83/93/335378393.db2.gz TZNXYEWLVAGVOD-JKSUJKDBSA-N 2 2 319.499 3.794 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)c2)c[nH+]1 ZINC000346180545 335378394 /nfs/dbraw/zinc/37/83/94/335378394.db2.gz TZNXYEWLVAGVOD-JKSUJKDBSA-N 2 2 319.499 3.794 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H](C)[C@@H]3C)sc2C1 ZINC000346163693 335383951 /nfs/dbraw/zinc/38/39/51/335383951.db2.gz CASOKWAEWGZLGG-KGLIPLIRSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H](C)[C@@H]3C)sc2C1 ZINC000346163693 335383952 /nfs/dbraw/zinc/38/39/52/335383952.db2.gz CASOKWAEWGZLGG-KGLIPLIRSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H](C)[C@@H]3C)sc2C1 ZINC000346163693 335383953 /nfs/dbraw/zinc/38/39/53/335383953.db2.gz CASOKWAEWGZLGG-KGLIPLIRSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H](C)[C@@H]3C)sc2C1 ZINC000346163693 335383954 /nfs/dbraw/zinc/38/39/54/335383954.db2.gz CASOKWAEWGZLGG-KGLIPLIRSA-N 2 2 307.507 3.530 20 0 DHADLP Fc1ccccc1C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346305378 335398331 /nfs/dbraw/zinc/39/83/31/335398331.db2.gz HXPLVVRGTIWKSN-UHFFFAOYSA-N 2 2 309.388 3.725 20 0 DHADLP Fc1ccccc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346305378 335398333 /nfs/dbraw/zinc/39/83/33/335398333.db2.gz HXPLVVRGTIWKSN-UHFFFAOYSA-N 2 2 309.388 3.725 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348240536 335566373 /nfs/dbraw/zinc/56/63/73/335566373.db2.gz ILABUMHYZVHUOY-MSOLQXFVSA-N 2 2 305.425 3.738 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000348253214 335567982 /nfs/dbraw/zinc/56/79/82/335567982.db2.gz IEBMIXGVRNHEHK-UHFFFAOYSA-N 2 2 308.347 3.572 20 0 DHADLP CSCc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000348787343 335610183 /nfs/dbraw/zinc/61/01/83/335610183.db2.gz WOOGLXBNKXZCRD-UHFFFAOYSA-N 2 2 300.471 3.975 20 0 DHADLP CC1CC[NH+]([C@@H](C[NH2+][C@H]2COC(C)(C)C2)c2cccs2)CC1 ZINC000417836180 335643227 /nfs/dbraw/zinc/64/32/27/335643227.db2.gz HDMOHNJNBANRHI-CVEARBPZSA-N 2 2 322.518 3.678 20 0 DHADLP CCCOc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000536632341 335847557 /nfs/dbraw/zinc/84/75/57/335847557.db2.gz YPONLOHOEIBSLL-UHFFFAOYSA-N 2 2 316.489 3.926 20 0 DHADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000532203435 335915834 /nfs/dbraw/zinc/91/58/34/335915834.db2.gz WNAOCRNQFWEJOI-FRQCXROJSA-N 2 2 304.478 3.856 20 0 DHADLP Fc1ccc2cc(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)[nH]c2c1 ZINC000351546116 336042090 /nfs/dbraw/zinc/04/20/90/336042090.db2.gz OGDHEIDARZZJQF-UHFFFAOYSA-N 2 2 321.359 3.559 20 0 DHADLP c1cn(Cc2ccc(NCc3coc4ccccc34)[nH+]c2)c[nH+]1 ZINC000351564567 336044321 /nfs/dbraw/zinc/04/43/21/336044321.db2.gz GCOBGYAQGONAOJ-UHFFFAOYSA-N 2 2 304.353 3.685 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000351847540 336073264 /nfs/dbraw/zinc/07/32/64/336073264.db2.gz AILITVAHJMHXNN-BBRMVZONSA-N 2 2 315.486 3.542 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000351847540 336073265 /nfs/dbraw/zinc/07/32/65/336073265.db2.gz AILITVAHJMHXNN-BBRMVZONSA-N 2 2 315.486 3.542 20 0 DHADLP C[C@@H](C[NH2+]C[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000526113781 336173758 /nfs/dbraw/zinc/17/37/58/336173758.db2.gz IEMAJNVJYODVQW-HNAYVOBHSA-N 2 2 300.421 3.822 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CCC1 ZINC000352487946 336221654 /nfs/dbraw/zinc/22/16/54/336221654.db2.gz KILVKQKZXJZBOC-SCTDSRPQSA-N 2 2 316.489 3.587 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CCC1 ZINC000352487946 336221655 /nfs/dbraw/zinc/22/16/55/336221655.db2.gz KILVKQKZXJZBOC-SCTDSRPQSA-N 2 2 316.489 3.587 20 0 DHADLP [NH3+]CCC[N@@H+](Cc1ncc(C(F)(F)F)s1)CC1CCCC1 ZINC000352545279 336223771 /nfs/dbraw/zinc/22/37/71/336223771.db2.gz HZEDHHAOQPNJJL-UHFFFAOYSA-N 2 2 321.412 3.503 20 0 DHADLP [NH3+]CCC[N@H+](Cc1ncc(C(F)(F)F)s1)CC1CCCC1 ZINC000352545279 336223772 /nfs/dbraw/zinc/22/37/72/336223772.db2.gz HZEDHHAOQPNJJL-UHFFFAOYSA-N 2 2 321.412 3.503 20 0 DHADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352685957 336230336 /nfs/dbraw/zinc/23/03/36/336230336.db2.gz WODCIJQKHINUNS-OAUYIBNBSA-N 2 2 302.462 3.674 20 0 DHADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352685957 336230337 /nfs/dbraw/zinc/23/03/37/336230337.db2.gz WODCIJQKHINUNS-OAUYIBNBSA-N 2 2 302.462 3.674 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cn1 ZINC000352702496 336231412 /nfs/dbraw/zinc/23/14/12/336231412.db2.gz XWRSNQYLGVEZOD-GOSISDBHSA-N 2 2 324.403 3.706 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)s1 ZINC000352772401 336235486 /nfs/dbraw/zinc/23/54/86/336235486.db2.gz QKZKSQUUOKZSNT-HNNXBMFYSA-N 2 2 321.877 3.635 20 0 DHADLP c1csc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCCC2)c1 ZINC000301059567 336287810 /nfs/dbraw/zinc/28/78/10/336287810.db2.gz DBDNEQVWAJPXJZ-HNNXBMFYSA-N 2 2 312.442 3.873 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)nc[nH+]1 ZINC000301227291 336295649 /nfs/dbraw/zinc/29/56/49/336295649.db2.gz FPCCXUFBPPSPBI-HNNXBMFYSA-N 2 2 310.445 3.629 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nc[nH+]1 ZINC000301227291 336295650 /nfs/dbraw/zinc/29/56/50/336295650.db2.gz FPCCXUFBPPSPBI-HNNXBMFYSA-N 2 2 310.445 3.629 20 0 DHADLP Fc1ccc2c(NC3CCN(c4cccc[nH+]4)CC3)cc[nH+]c2c1 ZINC000301229889 336295790 /nfs/dbraw/zinc/29/57/90/336295790.db2.gz AFAJTSGITYGCAG-UHFFFAOYSA-N 2 2 322.387 3.850 20 0 DHADLP c1csc(C[NH+]2CCN(c3cc[nH+]c4ccsc43)CC2)c1 ZINC000301360356 336302395 /nfs/dbraw/zinc/30/23/95/336302395.db2.gz NQPNUQVIXSTPRJ-UHFFFAOYSA-N 2 2 315.467 3.680 20 0 DHADLP CCc1cc(NCCCn2c(C)[nH+]c3ccccc32)nc(C)[nH+]1 ZINC000301362101 336302592 /nfs/dbraw/zinc/30/25/92/336302592.db2.gz QQZZJSHZZSIVFZ-UHFFFAOYSA-N 2 2 309.417 3.508 20 0 DHADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000301452553 336307676 /nfs/dbraw/zinc/30/76/76/336307676.db2.gz AMOQGBLUPPZLOP-HNNXBMFYSA-N 2 2 316.836 3.722 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301500967 336310683 /nfs/dbraw/zinc/31/06/83/336310683.db2.gz ATLCVDGNGBREGQ-CRAIPNDOSA-N 2 2 322.456 3.677 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301500967 336310684 /nfs/dbraw/zinc/31/06/84/336310684.db2.gz ATLCVDGNGBREGQ-CRAIPNDOSA-N 2 2 322.456 3.677 20 0 DHADLP C[C@H]1CCN(c2cc[nH+]cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000301516467 336311918 /nfs/dbraw/zinc/31/19/18/336311918.db2.gz BZCBEJPHFGJMHZ-HNNXBMFYSA-N 2 2 315.848 3.836 20 0 DHADLP C[C@H]1CCN(c2cc[nH+]cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000301516467 336311919 /nfs/dbraw/zinc/31/19/19/336311919.db2.gz BZCBEJPHFGJMHZ-HNNXBMFYSA-N 2 2 315.848 3.836 20 0 DHADLP Cc1cc[nH+]c(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000301634116 336319690 /nfs/dbraw/zinc/31/96/90/336319690.db2.gz KJCUNJACWGQTEH-UHFFFAOYSA-N 2 2 317.383 3.745 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000301709118 336324751 /nfs/dbraw/zinc/32/47/51/336324751.db2.gz JOBZTPBWSRAOIP-CQSZACIVSA-N 2 2 324.403 3.567 20 0 DHADLP CC(C)c1nc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc[nH+]1 ZINC000302050082 336345463 /nfs/dbraw/zinc/34/54/63/336345463.db2.gz NJZRRUOUMMSBPW-CABCVRRESA-N 2 2 302.466 3.665 20 0 DHADLP CC(C)c1nc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc[nH+]1 ZINC000302050082 336345464 /nfs/dbraw/zinc/34/54/64/336345464.db2.gz NJZRRUOUMMSBPW-CABCVRRESA-N 2 2 302.466 3.665 20 0 DHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](Nc4cccc[nH+]4)[C@@H]3C2)cc1 ZINC000302067697 336346669 /nfs/dbraw/zinc/34/66/69/336346669.db2.gz WTFFKXUBRXTMDM-OTWHNJEPSA-N 2 2 307.441 3.794 20 0 DHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](Nc4cccc[nH+]4)[C@@H]3C2)cc1 ZINC000302067697 336346670 /nfs/dbraw/zinc/34/66/70/336346670.db2.gz WTFFKXUBRXTMDM-OTWHNJEPSA-N 2 2 307.441 3.794 20 0 DHADLP Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302102939 336348596 /nfs/dbraw/zinc/34/85/96/336348596.db2.gz QQKGEEWMWNQTAB-OALUTQOASA-N 2 2 322.456 3.521 20 0 DHADLP COc1cccc2c(NC[C@@H](c3ccco3)[NH+](C)C)cc[nH+]c12 ZINC000302467696 336359337 /nfs/dbraw/zinc/35/93/37/336359337.db2.gz SVSKXVNHWOOCDP-HNNXBMFYSA-N 2 2 311.385 3.551 20 0 DHADLP Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000302800185 336369729 /nfs/dbraw/zinc/36/97/29/336369729.db2.gz BWUSDLDXOVMLSG-WBVHZDCISA-N 2 2 303.356 3.526 20 0 DHADLP Cc1cccc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000302800185 336369730 /nfs/dbraw/zinc/36/97/30/336369730.db2.gz BWUSDLDXOVMLSG-WBVHZDCISA-N 2 2 303.356 3.526 20 0 DHADLP C[N@@H+]1CC[C@H](Nc2cc[nH+]cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000302802388 336369821 /nfs/dbraw/zinc/36/98/21/336369821.db2.gz DACPTYZTCCQVGM-JKSUJKDBSA-N 2 2 323.774 3.871 20 0 DHADLP C[N@H+]1CC[C@H](Nc2cc[nH+]cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000302802388 336369822 /nfs/dbraw/zinc/36/98/22/336369822.db2.gz DACPTYZTCCQVGM-JKSUJKDBSA-N 2 2 323.774 3.871 20 0 DHADLP Fc1ccc(C2=CC[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000352969623 336380180 /nfs/dbraw/zinc/38/01/80/336380180.db2.gz SIDHXFVPHQIUTK-QZTJIDSGSA-N 2 2 300.421 3.588 20 0 DHADLP Fc1ccc(C2=CC[C@@H]([NH2+][C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000352969623 336380181 /nfs/dbraw/zinc/38/01/81/336380181.db2.gz SIDHXFVPHQIUTK-QZTJIDSGSA-N 2 2 300.421 3.588 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000563933796 336385652 /nfs/dbraw/zinc/38/56/52/336385652.db2.gz VPNLQBNGRNUIGK-APWZRJJASA-N 2 2 316.489 3.623 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000563933796 336385653 /nfs/dbraw/zinc/38/56/53/336385653.db2.gz VPNLQBNGRNUIGK-APWZRJJASA-N 2 2 316.489 3.623 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000353050010 336391561 /nfs/dbraw/zinc/39/15/61/336391561.db2.gz UPQUPGYLJMAUGE-UKRRQHHQSA-N 2 2 312.379 3.582 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000353050010 336391562 /nfs/dbraw/zinc/39/15/62/336391562.db2.gz UPQUPGYLJMAUGE-UKRRQHHQSA-N 2 2 312.379 3.582 20 0 DHADLP Cc1ccccc1C[NH+]1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000110226545 336395951 /nfs/dbraw/zinc/39/59/51/336395951.db2.gz OEGKPPFGFOAMOM-UHFFFAOYSA-N 2 2 322.456 3.739 20 0 DHADLP Cc1ccc(CCC[NH2+]C2CCN(c3ccccc3)CC2)c[nH+]1 ZINC000354157181 336461756 /nfs/dbraw/zinc/46/17/56/336461756.db2.gz GQMMNEZNKJBZFR-UHFFFAOYSA-N 2 2 309.457 3.581 20 0 DHADLP Cc1sc(C[NH2+]Cc2cccc3[nH+]ccn32)nc1C(C)C ZINC000354283213 336465486 /nfs/dbraw/zinc/46/54/86/336465486.db2.gz QSLBQYTXPPBKFA-UHFFFAOYSA-N 2 2 300.431 3.512 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)c[nH+]1 ZINC000354517427 336473491 /nfs/dbraw/zinc/47/34/91/336473491.db2.gz XULYYSQLQNASTR-OAQYLSRUSA-N 2 2 323.484 3.577 20 0 DHADLP Cc1ccc2[nH+]ccc(NCc3cccc(-n4cc[nH+]c4)c3)c2c1 ZINC000354611742 336476645 /nfs/dbraw/zinc/47/66/45/336476645.db2.gz YQTJRXPIFXVWTD-UHFFFAOYSA-N 2 2 314.392 3.763 20 0 DHADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1cccc(C)[nH+]1 ZINC000354868469 336485568 /nfs/dbraw/zinc/48/55/68/336485568.db2.gz ZSSYDZMPCOLWSI-MRXNPFEDSA-N 2 2 306.413 3.717 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000367298846 336612912 /nfs/dbraw/zinc/61/29/12/336612912.db2.gz CYIRFGVLTAKNFH-UHFFFAOYSA-N 3 2 323.484 3.577 20 0 DHADLP CCC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000359691783 336683720 /nfs/dbraw/zinc/68/37/20/336683720.db2.gz WTMTZEJTZJZXEI-LMMKCTJWSA-N 2 2 304.478 3.617 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)CCC2 ZINC000359951783 336695075 /nfs/dbraw/zinc/69/50/75/336695075.db2.gz DRAOOQMTOVASQD-QWHCGFSZSA-N 2 2 305.372 3.698 20 0 DHADLP c1cn(CCCC2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)c[nH+]1 ZINC000361349128 336752908 /nfs/dbraw/zinc/75/29/08/336752908.db2.gz RTABRXRLUOZEAB-WOJBJXKFSA-N 2 2 309.457 3.931 20 0 DHADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1 ZINC000361967600 336780342 /nfs/dbraw/zinc/78/03/42/336780342.db2.gz MKLQDHXSNAYMLA-HZPDHXFCSA-N 2 2 312.910 3.818 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](Cc1ccccc1C)C1CC1)CCC2 ZINC000367436258 336822662 /nfs/dbraw/zinc/82/26/62/336822662.db2.gz FAYBJQFYDIGJQP-WOJBJXKFSA-N 2 2 323.484 3.988 20 0 DHADLP Cc1cc[nH+]cc1CCCN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000368024731 336835190 /nfs/dbraw/zinc/83/51/90/336835190.db2.gz UTHIHYZIIUGRHQ-FQEVSTJZSA-N 2 2 315.505 3.663 20 0 DHADLP CC(C)SCC[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000368574096 336848263 /nfs/dbraw/zinc/84/82/63/336848263.db2.gz JBXYUGUNJDXJMK-UHFFFAOYSA-N 2 2 310.482 3.521 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000369881018 336873542 /nfs/dbraw/zinc/87/35/42/336873542.db2.gz DLUCKPNFHBCPTN-DZGCQCFKSA-N 2 2 301.459 3.579 20 0 DHADLP FC(F)(F)c1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000370110674 336877694 /nfs/dbraw/zinc/87/76/94/336877694.db2.gz HMUCKHBIYFQUFE-UHFFFAOYSA-N 2 2 312.379 3.812 20 0 DHADLP C[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1cc2ccccc2o1 ZINC000370652844 336889683 /nfs/dbraw/zinc/88/96/83/336889683.db2.gz PYAJVNRXNYKSOO-CQSZACIVSA-N 2 2 318.380 3.864 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000582442828 337000284 /nfs/dbraw/zinc/00/02/84/337000284.db2.gz NRUMRCWTITWRIT-WQMJKPAKSA-N 2 2 324.390 3.935 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000582442828 337000285 /nfs/dbraw/zinc/00/02/85/337000285.db2.gz NRUMRCWTITWRIT-WQMJKPAKSA-N 2 2 324.390 3.935 20 0 DHADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000375063234 337002308 /nfs/dbraw/zinc/00/23/08/337002308.db2.gz VYUMDQHSPBULAY-JENIJYKNSA-N 2 2 320.525 3.607 20 0 DHADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000375063234 337002309 /nfs/dbraw/zinc/00/23/09/337002309.db2.gz VYUMDQHSPBULAY-JENIJYKNSA-N 2 2 320.525 3.607 20 0 DHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCC(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000375276308 337007007 /nfs/dbraw/zinc/00/70/07/337007007.db2.gz SQGRBBUJMAMUJR-FUHWJXTLSA-N 2 2 320.525 3.561 20 0 DHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCC(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000375276308 337007008 /nfs/dbraw/zinc/00/70/08/337007008.db2.gz SQGRBBUJMAMUJR-FUHWJXTLSA-N 2 2 320.525 3.561 20 0 DHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCC(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000375276308 337007009 /nfs/dbraw/zinc/00/70/09/337007009.db2.gz SQGRBBUJMAMUJR-FUHWJXTLSA-N 2 2 320.525 3.561 20 0 DHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCC(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000375276308 337007010 /nfs/dbraw/zinc/00/70/10/337007010.db2.gz SQGRBBUJMAMUJR-FUHWJXTLSA-N 2 2 320.525 3.561 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1ccccc1)C(C)C)CCC2 ZINC000375278726 337007125 /nfs/dbraw/zinc/00/71/25/337007125.db2.gz IARCITUPWKROQJ-RBUKOAKNSA-N 2 2 311.473 3.926 20 0 DHADLP Fc1ccccc1[C@@H](F)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000375631263 337015109 /nfs/dbraw/zinc/01/51/09/337015109.db2.gz PAOXFDUXMJRGDG-SFHVURJKSA-N 2 2 319.399 3.835 20 0 DHADLP CCOc1ccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1F ZINC000375763497 337018996 /nfs/dbraw/zinc/01/89/96/337018996.db2.gz YDFFDUMRZYGRSL-UHFFFAOYSA-N 2 2 320.452 3.721 20 0 DHADLP COC1(C[NH2+]C2CC[NH+](Cc3cccs3)CC2)CCCCC1 ZINC000376317658 337031303 /nfs/dbraw/zinc/03/13/03/337031303.db2.gz AGRYGAJYQAWAHZ-UHFFFAOYSA-N 2 2 322.518 3.651 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000376425569 337033147 /nfs/dbraw/zinc/03/31/47/337033147.db2.gz IMRDCAYWVOUWPM-GFCCVEGCSA-N 2 2 307.800 3.592 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000376425569 337033148 /nfs/dbraw/zinc/03/31/48/337033148.db2.gz IMRDCAYWVOUWPM-GFCCVEGCSA-N 2 2 307.800 3.592 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000376425571 337033167 /nfs/dbraw/zinc/03/31/67/337033167.db2.gz IMRDCAYWVOUWPM-LBPRGKRZSA-N 2 2 307.800 3.592 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000376425571 337033168 /nfs/dbraw/zinc/03/31/68/337033168.db2.gz IMRDCAYWVOUWPM-LBPRGKRZSA-N 2 2 307.800 3.592 20 0 DHADLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c2ccccc12 ZINC000376758647 337040579 /nfs/dbraw/zinc/04/05/79/337040579.db2.gz QKLONOXWHMLWCK-UHFFFAOYSA-N 2 2 321.424 3.671 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000376840379 337042546 /nfs/dbraw/zinc/04/25/46/337042546.db2.gz DCBPWAJERDKWAH-HOTGVXAUSA-N 2 2 318.427 3.962 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000377629256 337056846 /nfs/dbraw/zinc/05/68/46/337056846.db2.gz SGQHUNIFAXYRLI-NHCUHLMSSA-N 3 2 323.484 3.605 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000377629256 337056847 /nfs/dbraw/zinc/05/68/47/337056847.db2.gz SGQHUNIFAXYRLI-NHCUHLMSSA-N 3 2 323.484 3.605 20 0 DHADLP Cc1ccc(C2CC[NH+](CCCc3c[nH+]ccc3C)CC2)cn1 ZINC000377706164 337059276 /nfs/dbraw/zinc/05/92/76/337059276.db2.gz USHTVLJNVLVEEO-UHFFFAOYSA-N 2 2 309.457 3.906 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1nccc2ccccc21 ZINC000377741389 337059969 /nfs/dbraw/zinc/05/99/69/337059969.db2.gz FGAHITRRUFAIAJ-HNNXBMFYSA-N 2 2 320.440 3.661 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1nccc3ccccc31)CCC2 ZINC000377817157 337061942 /nfs/dbraw/zinc/06/19/42/337061942.db2.gz PTCPEHNFDYJVPK-RDJZCZTQSA-N 2 2 320.440 3.968 20 0 DHADLP C[N@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377866045 337062861 /nfs/dbraw/zinc/06/28/61/337062861.db2.gz VWDLPDPFEHQFLU-IBGZPJMESA-N 2 2 315.505 3.599 20 0 DHADLP C[N@@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377866045 337062862 /nfs/dbraw/zinc/06/28/62/337062862.db2.gz VWDLPDPFEHQFLU-IBGZPJMESA-N 2 2 315.505 3.599 20 0 DHADLP CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000378147079 337067161 /nfs/dbraw/zinc/06/71/61/337067161.db2.gz HQERHUIBAMATEK-JYBIWHBTSA-N 2 2 315.505 3.850 20 0 DHADLP CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000378147079 337067162 /nfs/dbraw/zinc/06/71/62/337067162.db2.gz HQERHUIBAMATEK-JYBIWHBTSA-N 2 2 315.505 3.850 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCc1ccccc1F)CCC2 ZINC000378185971 337067863 /nfs/dbraw/zinc/06/78/63/337067863.db2.gz VEIQZCXAZXNOKV-RHSMWYFYSA-N 2 2 315.436 3.819 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CC=CCC3)[C@@H](C)C2)s1 ZINC000378245137 337068672 /nfs/dbraw/zinc/06/86/72/337068672.db2.gz SFDYLNCZHBBYJF-ZVZYQTTQSA-N 2 2 319.518 3.608 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CC=CCC3)[C@@H](C)C2)s1 ZINC000378245137 337068673 /nfs/dbraw/zinc/06/86/73/337068673.db2.gz SFDYLNCZHBBYJF-ZVZYQTTQSA-N 2 2 319.518 3.608 20 0 DHADLP CC(C)CSCCC[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000378251799 337068863 /nfs/dbraw/zinc/06/88/63/337068863.db2.gz NCRHKHUMIKJSEY-UHFFFAOYSA-N 2 2 321.534 3.762 20 0 DHADLP CC(C)CSCCC[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000378251799 337068864 /nfs/dbraw/zinc/06/88/64/337068864.db2.gz NCRHKHUMIKJSEY-UHFFFAOYSA-N 2 2 321.534 3.762 20 0 DHADLP c1cn(CCC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)c[nH+]1 ZINC000378441142 337072753 /nfs/dbraw/zinc/07/27/53/337072753.db2.gz GZAJSUXKRYZRED-IBGZPJMESA-N 2 2 323.465 3.982 20 0 DHADLP c1cn(CCC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)c[nH+]1 ZINC000378441142 337072754 /nfs/dbraw/zinc/07/27/54/337072754.db2.gz GZAJSUXKRYZRED-IBGZPJMESA-N 2 2 323.465 3.982 20 0 DHADLP Cc1ccc(F)cc1C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000378496412 337074303 /nfs/dbraw/zinc/07/43/03/337074303.db2.gz NOAQYAKDEHNMBM-UHFFFAOYSA-N 2 2 313.420 3.630 20 0 DHADLP Cc1ccc(F)cc1C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000378496412 337074304 /nfs/dbraw/zinc/07/43/04/337074304.db2.gz NOAQYAKDEHNMBM-UHFFFAOYSA-N 2 2 313.420 3.630 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cs1 ZINC000378513562 337074823 /nfs/dbraw/zinc/07/48/23/337074823.db2.gz BUIOZXWEFATREF-XCRHUMRWSA-N 2 2 315.486 3.795 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cs1 ZINC000378513562 337074824 /nfs/dbraw/zinc/07/48/24/337074824.db2.gz BUIOZXWEFATREF-XCRHUMRWSA-N 2 2 315.486 3.795 20 0 DHADLP C[C@H]1Oc2c(cccc2F)[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000360063478 337084930 /nfs/dbraw/zinc/08/49/30/337084930.db2.gz ZLUPRRGYUQIUMK-MLGOLLRUSA-N 2 2 306.425 3.500 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+]CCCc2c[nH+]ccc2C)C12CCCC2 ZINC000582513678 337099666 /nfs/dbraw/zinc/09/96/66/337099666.db2.gz NXMXUAIXERJZKQ-QZTJIDSGSA-N 2 2 302.462 3.650 20 0 DHADLP Cc1cc(OCc2c[nH+]cn2Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000582616039 337115246 /nfs/dbraw/zinc/11/52/46/337115246.db2.gz ITNJVRDJTDERQP-UHFFFAOYSA-N 2 2 307.397 3.831 20 0 DHADLP CC(C)Sc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000582674452 337119462 /nfs/dbraw/zinc/11/94/62/337119462.db2.gz KOCGPVKLYMLOOA-DLBZAZTESA-N 2 2 304.503 3.856 20 0 DHADLP CC(C)Sc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000582674452 337119463 /nfs/dbraw/zinc/11/94/63/337119463.db2.gz KOCGPVKLYMLOOA-DLBZAZTESA-N 2 2 304.503 3.856 20 0 DHADLP CC(C)Sc1ccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC000582674452 337119464 /nfs/dbraw/zinc/11/94/64/337119464.db2.gz KOCGPVKLYMLOOA-DLBZAZTESA-N 2 2 304.503 3.856 20 0 DHADLP CC(C)Sc1ccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1 ZINC000582674452 337119465 /nfs/dbraw/zinc/11/94/65/337119465.db2.gz KOCGPVKLYMLOOA-DLBZAZTESA-N 2 2 304.503 3.856 20 0 DHADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(SCC(F)F)cc1 ZINC000178307367 337162230 /nfs/dbraw/zinc/16/22/30/337162230.db2.gz JSGGOIGUPDWLBF-CYBMUJFWSA-N 2 2 314.445 3.790 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000178501059 337163222 /nfs/dbraw/zinc/16/32/22/337163222.db2.gz ZHGKJSWBSBDLAC-XLIONFOSSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC000178501059 337163223 /nfs/dbraw/zinc/16/32/23/337163223.db2.gz ZHGKJSWBSBDLAC-XLIONFOSSA-N 2 2 315.505 3.852 20 0 DHADLP COc1ccc(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000180677612 337177315 /nfs/dbraw/zinc/17/73/15/337177315.db2.gz FHRLFLHNPMHUMQ-MRXNPFEDSA-N 2 2 321.424 3.774 20 0 DHADLP Cc1cc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC000182816987 337188516 /nfs/dbraw/zinc/18/85/16/337188516.db2.gz MBAABAFTHYZQMH-ZBFHGGJFSA-N 2 2 314.477 3.727 20 0 DHADLP Cc1cc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC000182816987 337188517 /nfs/dbraw/zinc/18/85/17/337188517.db2.gz MBAABAFTHYZQMH-ZBFHGGJFSA-N 2 2 314.477 3.727 20 0 DHADLP Cc1cncc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000184419607 337197143 /nfs/dbraw/zinc/19/71/43/337197143.db2.gz RMHRUDULQXZLRV-IRXDYDNUSA-N 2 2 324.472 3.661 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc(C(F)F)cc3)n2c1 ZINC000185177424 337202524 /nfs/dbraw/zinc/20/25/24/337202524.db2.gz BQQLGUKNNFLDKF-UHFFFAOYSA-N 2 2 301.340 3.870 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1sccc1Br ZINC000582839286 337207573 /nfs/dbraw/zinc/20/75/73/337207573.db2.gz OUOXVQINZXESHU-NXEZZACHSA-N 2 2 305.285 3.679 20 0 DHADLP COCCC1(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000187462310 337266126 /nfs/dbraw/zinc/26/61/26/337266126.db2.gz YGAUXYFGBOSLLR-MSOLQXFVSA-N 2 2 319.493 3.753 20 0 DHADLP COCCC1(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000187462310 337266127 /nfs/dbraw/zinc/26/61/27/337266127.db2.gz YGAUXYFGBOSLLR-MSOLQXFVSA-N 2 2 319.493 3.753 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000189126290 337277734 /nfs/dbraw/zinc/27/77/34/337277734.db2.gz ZXBXQGOJSWMAMD-NZSAHSFTSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000189126290 337277735 /nfs/dbraw/zinc/27/77/35/337277735.db2.gz ZXBXQGOJSWMAMD-NZSAHSFTSA-N 2 2 313.489 3.604 20 0 DHADLP COCCC1(C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)CCCCC1 ZINC000189808760 337283101 /nfs/dbraw/zinc/28/31/01/337283101.db2.gz HMNGUFYPOTWUMJ-SFHVURJKSA-N 2 2 308.510 3.534 20 0 DHADLP COCCC1(C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)CCCCC1 ZINC000189808760 337283102 /nfs/dbraw/zinc/28/31/02/337283102.db2.gz HMNGUFYPOTWUMJ-SFHVURJKSA-N 2 2 308.510 3.534 20 0 DHADLP C[C@@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000583257105 337291127 /nfs/dbraw/zinc/29/11/27/337291127.db2.gz GDCFHVPBOPYBOJ-PVUWLOKVSA-N 2 2 304.434 3.707 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCc2c1cccc2F ZINC000321977175 337308912 /nfs/dbraw/zinc/30/89/12/337308912.db2.gz BYEVBHRAXMITBV-KRWDZBQOSA-N 2 2 309.388 3.761 20 0 DHADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)c1cccc(-c2ccncc2)c1 ZINC000128286631 337424739 /nfs/dbraw/zinc/42/47/39/337424739.db2.gz JMVRAPVJWHBWTA-KRWDZBQOSA-N 2 2 309.457 3.885 20 0 DHADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CC2CCC2)c2ccccc2)n1C ZINC000419691551 337491567 /nfs/dbraw/zinc/49/15/67/337491567.db2.gz MLOJDQVKRFLYMR-GOSISDBHSA-N 2 2 312.461 3.507 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])C3CCCCC3)cs2)o1 ZINC000420376553 337500153 /nfs/dbraw/zinc/50/01/53/337500153.db2.gz VFGLWOOVUXTGKF-OAHLLOKOSA-N 2 2 319.474 3.709 20 0 DHADLP Cc1sc([C@H](C)[NH2+]C[C@@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000420407694 337500752 /nfs/dbraw/zinc/50/07/52/337500752.db2.gz ONFPCUHRPIOFBW-ZJUUUORDSA-N 2 2 309.866 3.770 20 0 DHADLP CC(C)[C@H]1CC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000571904406 337581721 /nfs/dbraw/zinc/58/17/21/337581721.db2.gz DFMGEYNKJBZBAZ-QDIHITRGSA-N 2 2 318.427 3.816 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H](c1ccccc1)[NH+](C)C ZINC000572292147 337606438 /nfs/dbraw/zinc/60/64/38/337606438.db2.gz SPNJIRWRLBAKBO-IWMITWMQSA-N 2 2 319.452 3.827 20 0 DHADLP Fc1cc(-c2ccccc2)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422561584 337682871 /nfs/dbraw/zinc/68/28/71/337682871.db2.gz MGEPDGNXSVMDSH-UHFFFAOYSA-N 2 2 310.416 3.821 20 0 DHADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)oc21 ZINC000422795033 337686999 /nfs/dbraw/zinc/68/69/99/337686999.db2.gz ZLVVDBYFZLEUJY-NFAWXSAZSA-N 2 2 302.418 3.623 20 0 DHADLP COc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422888371 337690262 /nfs/dbraw/zinc/69/02/62/337690262.db2.gz MYYFVKKHMOZLMX-HOTGVXAUSA-N 2 2 302.805 3.583 20 0 DHADLP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1Cl ZINC000422925713 337691798 /nfs/dbraw/zinc/69/17/98/337691798.db2.gz BLVVQEVZUULCFW-HZPDHXFCSA-N 2 2 302.805 3.583 20 0 DHADLP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423029385 337696454 /nfs/dbraw/zinc/69/64/54/337696454.db2.gz UWKMRIANYLTYSB-IZGVIRRGSA-N 2 2 316.342 3.692 20 0 DHADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423059495 337697693 /nfs/dbraw/zinc/69/76/93/337697693.db2.gz MCKZAIMZGMEBDU-RBUKOAKNSA-N 2 2 309.457 3.766 20 0 DHADLP COc1c2ccccc2oc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423071808 337698349 /nfs/dbraw/zinc/69/83/49/337698349.db2.gz OWYOFKNXCUGDFJ-HOTGVXAUSA-N 2 2 308.381 3.676 20 0 DHADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423091478 337699058 /nfs/dbraw/zinc/69/90/58/337699058.db2.gz XEIOYJAUSQNRFX-BPLDGKMQSA-N 2 2 300.368 3.719 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423128652 337700780 /nfs/dbraw/zinc/70/07/80/337700780.db2.gz WBYMOSRNFTWASJ-OAGGEKHMSA-N 2 2 314.395 3.528 20 0 DHADLP Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000423137289 337701243 /nfs/dbraw/zinc/70/12/43/337701243.db2.gz QOOMBKGNFBLBPG-JCURWCKSSA-N 2 2 312.379 3.504 20 0 DHADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423250080 337707243 /nfs/dbraw/zinc/70/72/43/337707243.db2.gz UNJWBGXCMGVQFI-GBESFXJTSA-N 2 2 304.478 3.605 20 0 DHADLP [NH3+][C@@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)c1ccccc1 ZINC000423254608 337707590 /nfs/dbraw/zinc/70/75/90/337707590.db2.gz YRKJBPBAMHIBKA-HKUYNNGSSA-N 2 2 305.425 3.835 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423297088 337710847 /nfs/dbraw/zinc/71/08/47/337710847.db2.gz IQZHYHPZHPEYTQ-ZFWWWQNUSA-N 2 2 303.475 3.978 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(Oc2ccccc2)cn1 ZINC000423373921 337715176 /nfs/dbraw/zinc/71/51/76/337715176.db2.gz WSEMOSLUVCBWMV-ZRGWGRIASA-N 2 2 311.429 3.523 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CCC(F)(F)CC1 ZINC000423416257 337716626 /nfs/dbraw/zinc/71/66/26/337716626.db2.gz FPQKRTQZAZDZGF-DYVFJYSZSA-N 2 2 308.416 3.677 20 0 DHADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423452720 337720168 /nfs/dbraw/zinc/72/01/68/337720168.db2.gz WSCPGBFCFUMFNU-YRVVQQKDSA-N 2 2 323.415 3.789 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCC(CSC)CC1 ZINC000423497183 337723059 /nfs/dbraw/zinc/72/30/59/337723059.db2.gz GELAYVZRAYCOPR-PVARCSIZSA-N 2 2 306.519 3.760 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc2c(s1)CCC2 ZINC000423506591 337723753 /nfs/dbraw/zinc/72/37/53/337723753.db2.gz IBRXVGUAPCTQKD-RRQGHBQHSA-N 2 2 312.482 3.643 20 0 DHADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCCC[NH2+]C3)oc21 ZINC000423545813 337725299 /nfs/dbraw/zinc/72/52/99/337725299.db2.gz DSZSMFBXWKLYEL-UKRRQHHQSA-N 2 2 302.418 3.624 20 0 DHADLP CCc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000428252366 338044575 /nfs/dbraw/zinc/04/45/75/338044575.db2.gz HIFYTTXXVITKKK-QGZVFWFLSA-N 2 2 319.493 3.633 20 0 DHADLP CCc1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000428252366 338044576 /nfs/dbraw/zinc/04/45/76/338044576.db2.gz HIFYTTXXVITKKK-QGZVFWFLSA-N 2 2 319.493 3.633 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428855816 338062606 /nfs/dbraw/zinc/06/26/06/338062606.db2.gz IHCFIVOLJHHSOT-ZDUSSCGKSA-N 2 2 321.465 3.790 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428855816 338062607 /nfs/dbraw/zinc/06/26/07/338062607.db2.gz IHCFIVOLJHHSOT-ZDUSSCGKSA-N 2 2 321.465 3.790 20 0 DHADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000429021350 338069020 /nfs/dbraw/zinc/06/90/20/338069020.db2.gz QEFRHWJLGHOKJR-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[N@H+]1CC[C@@]2(CC[NH+](CCc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000429021350 338069021 /nfs/dbraw/zinc/06/90/21/338069021.db2.gz QEFRHWJLGHOKJR-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@H+](CCc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000429021350 338069022 /nfs/dbraw/zinc/06/90/22/338069022.db2.gz QEFRHWJLGHOKJR-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000429021350 338069023 /nfs/dbraw/zinc/06/90/23/338069023.db2.gz QEFRHWJLGHOKJR-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP Cc1ccoc1C[NH+](C)[C@H](C)CC[N@H+](C)Cc1occc1C ZINC000429359234 338078378 /nfs/dbraw/zinc/07/83/78/338078378.db2.gz BXJJJXKXCWYMOP-MRXNPFEDSA-N 2 2 304.434 3.832 20 0 DHADLP Cc1ccoc1C[NH+](C)[C@H](C)CC[N@@H+](C)Cc1occc1C ZINC000429359234 338078379 /nfs/dbraw/zinc/07/83/79/338078379.db2.gz BXJJJXKXCWYMOP-MRXNPFEDSA-N 2 2 304.434 3.832 20 0 DHADLP Cc1ccoc1C[NH+](C)CC[C@@H](C)[N@H+](C)Cc1occc1C ZINC000429359234 338078380 /nfs/dbraw/zinc/07/83/80/338078380.db2.gz BXJJJXKXCWYMOP-MRXNPFEDSA-N 2 2 304.434 3.832 20 0 DHADLP Cc1ccoc1C[NH+](C)CC[C@@H](C)[N@@H+](C)Cc1occc1C ZINC000429359234 338078381 /nfs/dbraw/zinc/07/83/81/338078381.db2.gz BXJJJXKXCWYMOP-MRXNPFEDSA-N 2 2 304.434 3.832 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CCC1 ZINC000429454267 338081676 /nfs/dbraw/zinc/08/16/76/338081676.db2.gz ONPSBQJSDWIQKK-YQVWRLOYSA-N 2 2 318.505 3.924 20 0 DHADLP CC[C@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429708202 338087973 /nfs/dbraw/zinc/08/79/73/338087973.db2.gz LMKXZSBBRSRASL-VQTJNVASSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429708202 338087974 /nfs/dbraw/zinc/08/79/74/338087974.db2.gz LMKXZSBBRSRASL-VQTJNVASSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429708202 338087975 /nfs/dbraw/zinc/08/79/75/338087975.db2.gz LMKXZSBBRSRASL-VQTJNVASSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429708202 338087976 /nfs/dbraw/zinc/08/79/76/338087976.db2.gz LMKXZSBBRSRASL-VQTJNVASSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429708200 338087993 /nfs/dbraw/zinc/08/79/93/338087993.db2.gz LMKXZSBBRSRASL-PMACEKPBSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429708200 338087994 /nfs/dbraw/zinc/08/79/94/338087994.db2.gz LMKXZSBBRSRASL-PMACEKPBSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429708200 338087995 /nfs/dbraw/zinc/08/79/95/338087995.db2.gz LMKXZSBBRSRASL-PMACEKPBSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429708200 338087996 /nfs/dbraw/zinc/08/79/96/338087996.db2.gz LMKXZSBBRSRASL-PMACEKPBSA-N 2 2 316.489 3.542 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000429858682 338091099 /nfs/dbraw/zinc/09/10/99/338091099.db2.gz JTAWPZMUFRSOON-UHFFFAOYSA-N 2 2 302.368 3.659 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000429858682 338091100 /nfs/dbraw/zinc/09/11/00/338091100.db2.gz JTAWPZMUFRSOON-UHFFFAOYSA-N 2 2 302.368 3.659 20 0 DHADLP Clc1ccc(OCC2CC2)c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000430001942 338093116 /nfs/dbraw/zinc/09/31/16/338093116.db2.gz UBMJEYXGTGBQOV-UHFFFAOYSA-N 2 2 322.880 3.704 20 0 DHADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000430123705 338097996 /nfs/dbraw/zinc/09/79/96/338097996.db2.gz JZLADSBHTNYBET-HXUWFJFHSA-N 2 2 314.473 3.536 20 0 DHADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000430123705 338097997 /nfs/dbraw/zinc/09/79/97/338097997.db2.gz JZLADSBHTNYBET-HXUWFJFHSA-N 2 2 314.473 3.536 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000430123705 338097998 /nfs/dbraw/zinc/09/79/98/338097998.db2.gz JZLADSBHTNYBET-HXUWFJFHSA-N 2 2 314.473 3.536 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000430123705 338097999 /nfs/dbraw/zinc/09/79/99/338097999.db2.gz JZLADSBHTNYBET-HXUWFJFHSA-N 2 2 314.473 3.536 20 0 DHADLP Cc1nc(C[N@@H+](C)CC(C)(C)C[NH3+])oc1-c1ccc(Cl)cc1 ZINC000430538969 338108272 /nfs/dbraw/zinc/10/82/72/338108272.db2.gz CUAAYZSIHUASRU-UHFFFAOYSA-N 2 2 321.852 3.720 20 0 DHADLP Cc1nc(C[N@H+](C)CC(C)(C)C[NH3+])oc1-c1ccc(Cl)cc1 ZINC000430538969 338108273 /nfs/dbraw/zinc/10/82/73/338108273.db2.gz CUAAYZSIHUASRU-UHFFFAOYSA-N 2 2 321.852 3.720 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000430576805 338108929 /nfs/dbraw/zinc/10/89/29/338108929.db2.gz XXSQHAPXTHMPQY-GOEBONIOSA-N 2 2 301.434 3.708 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000430576805 338108930 /nfs/dbraw/zinc/10/89/30/338108930.db2.gz XXSQHAPXTHMPQY-GOEBONIOSA-N 2 2 301.434 3.708 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000430576806 338108949 /nfs/dbraw/zinc/10/89/49/338108949.db2.gz XXSQHAPXTHMPQY-HOCLYGCPSA-N 2 2 301.434 3.708 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000430576806 338108950 /nfs/dbraw/zinc/10/89/50/338108950.db2.gz XXSQHAPXTHMPQY-HOCLYGCPSA-N 2 2 301.434 3.708 20 0 DHADLP c1ccc2cc(CC[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC000431161139 338124516 /nfs/dbraw/zinc/12/45/16/338124516.db2.gz NBBBUMUYYJHBFN-NRFANRHFSA-N 2 2 318.420 3.931 20 0 DHADLP c1ccc2cc(CC[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2c1 ZINC000431161139 338124517 /nfs/dbraw/zinc/12/45/17/338124517.db2.gz NBBBUMUYYJHBFN-NRFANRHFSA-N 2 2 318.420 3.931 20 0 DHADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432228485 338149135 /nfs/dbraw/zinc/14/91/35/338149135.db2.gz JSUNMTWGDQOBHN-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432228485 338149136 /nfs/dbraw/zinc/14/91/36/338149136.db2.gz JSUNMTWGDQOBHN-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP Fc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1Cl ZINC000432249331 338150803 /nfs/dbraw/zinc/15/08/03/338150803.db2.gz DSWWZZVNMWZBQU-UHFFFAOYSA-N 2 2 317.235 3.849 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1csc(Cl)c1 ZINC000432409007 338155196 /nfs/dbraw/zinc/15/51/96/338155196.db2.gz DXGPQGAAVNCQEK-CHWSQXEVSA-N 2 2 316.898 3.553 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1csc(Cl)c1 ZINC000432409007 338155197 /nfs/dbraw/zinc/15/51/97/338155197.db2.gz DXGPQGAAVNCQEK-CHWSQXEVSA-N 2 2 316.898 3.553 20 0 DHADLP CCSc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000435374886 338238261 /nfs/dbraw/zinc/23/82/61/338238261.db2.gz RZCJTPLOYYTPEC-UHFFFAOYSA-N 2 2 304.503 3.763 20 0 DHADLP CC[N@H+](Cc1ncc(-c2ccc(C)cc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435612751 338243582 /nfs/dbraw/zinc/24/35/82/338243582.db2.gz HHZTUYQWBTVMGP-QGZVFWFLSA-N 2 2 313.445 3.614 20 0 DHADLP CC[N@@H+](Cc1ncc(-c2ccc(C)cc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435612751 338243583 /nfs/dbraw/zinc/24/35/83/338243583.db2.gz HHZTUYQWBTVMGP-QGZVFWFLSA-N 2 2 313.445 3.614 20 0 DHADLP COCCC1(C[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC000436235669 338262809 /nfs/dbraw/zinc/26/28/09/338262809.db2.gz ALSYRDBCKNVMCS-KRWDZBQOSA-N 2 2 308.510 3.580 20 0 DHADLP COCCC1(C[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CCCCC1 ZINC000436235669 338262810 /nfs/dbraw/zinc/26/28/10/338262810.db2.gz ALSYRDBCKNVMCS-KRWDZBQOSA-N 2 2 308.510 3.580 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H](c3ccccc3)C1)CCC2 ZINC000436238251 338262850 /nfs/dbraw/zinc/26/28/50/338262850.db2.gz FSVKTIAXWYLOQK-CEXWTWQISA-N 2 2 309.457 3.995 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@H](c3ccccc3)C1)CCC2 ZINC000436238252 338262874 /nfs/dbraw/zinc/26/28/74/338262874.db2.gz FSVKTIAXWYLOQK-FHWLQOOXSA-N 2 2 309.457 3.995 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436281765 338265603 /nfs/dbraw/zinc/26/56/03/338265603.db2.gz PFLMWMVMNYFDOX-SNVBAGLBSA-N 2 2 317.742 3.734 20 0 DHADLP COCCC1(C[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC000436281620 338265681 /nfs/dbraw/zinc/26/56/81/338265681.db2.gz QHZHFSIKWNMPDN-IBGZPJMESA-N 2 2 318.505 3.866 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437098114 338300792 /nfs/dbraw/zinc/30/07/92/338300792.db2.gz PLSOXUNUCDJFQM-LBPRGKRZSA-N 2 2 300.899 3.797 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000438077778 338330136 /nfs/dbraw/zinc/33/01/36/338330136.db2.gz MIBLIUDXZZQQTH-QFBILLFUSA-N 2 2 314.448 3.519 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156577792 338371561 /nfs/dbraw/zinc/37/15/61/338371561.db2.gz VHEDDCQCOSILBX-MBNYWOFBSA-N 2 2 309.523 3.882 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156577792 338371562 /nfs/dbraw/zinc/37/15/62/338371562.db2.gz VHEDDCQCOSILBX-MBNYWOFBSA-N 2 2 309.523 3.882 20 0 DHADLP CC(C)CCOCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440452967 338387670 /nfs/dbraw/zinc/38/76/70/338387670.db2.gz MNPXYMUKDRJAMM-UHFFFAOYSA-N 2 2 318.505 3.646 20 0 DHADLP CC(C)CCOCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440452967 338387671 /nfs/dbraw/zinc/38/76/71/338387671.db2.gz MNPXYMUKDRJAMM-UHFFFAOYSA-N 2 2 318.505 3.646 20 0 DHADLP Fc1cccc(Cl)c1CCC[NH2+]CCCNc1cccc[nH+]1 ZINC000446820181 338536664 /nfs/dbraw/zinc/53/66/64/338536664.db2.gz ZKFYQZNRILEXMV-UHFFFAOYSA-N 2 2 321.827 3.899 20 0 DHADLP C[C@@H](C[NH2+]Cc1ncc(C(C)(C)C)s1)C[NH+]1CCCCC1 ZINC000447945209 338572510 /nfs/dbraw/zinc/57/25/10/338572510.db2.gz VPYMEQYGCYXYPE-AWEZNQCLSA-N 2 2 309.523 3.652 20 0 DHADLP Cc1cccc(CC[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1 ZINC000449113928 338594678 /nfs/dbraw/zinc/59/46/78/338594678.db2.gz HLLGSZKRNKOCSO-QGZVFWFLSA-N 2 2 311.473 3.636 20 0 DHADLP C[C@H](Cc1ccoc1)[NH2+][C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000449329262 338613679 /nfs/dbraw/zinc/61/36/79/338613679.db2.gz IBEMHQJTLGRCST-UIAACRFSSA-N 2 2 321.424 3.926 20 0 DHADLP CCCc1ncc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)o1 ZINC000449613723 338641222 /nfs/dbraw/zinc/64/12/22/338641222.db2.gz SSEHPCPKNNLODX-QAPCUYQASA-N 2 2 319.493 3.760 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C1CCCC1 ZINC000449666011 338644991 /nfs/dbraw/zinc/64/49/91/338644991.db2.gz GFHFCVCNOQYWRO-LJQANCHMSA-N 2 2 301.478 3.604 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000449768798 338651251 /nfs/dbraw/zinc/65/12/51/338651251.db2.gz TZHHTDFUUYLDEY-ZIFCJYIRSA-N 2 2 315.505 3.850 20 0 DHADLP FC1(F)CC[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000450720346 338701065 /nfs/dbraw/zinc/70/10/65/338701065.db2.gz YJWZDJIDGQMWCP-MRXNPFEDSA-N 2 2 311.420 3.811 20 0 DHADLP c1ccc(NCCCC[NH2+]C2CCc3ccccc3CC2)[nH+]c1 ZINC000453084370 338791887 /nfs/dbraw/zinc/79/18/87/338791887.db2.gz DXPJRFNTJSJEPN-UHFFFAOYSA-N 2 2 309.457 3.811 20 0 DHADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000459329186 339022223 /nfs/dbraw/zinc/02/22/23/339022223.db2.gz REWGPLGVKCZAEO-UHFFFAOYSA-N 2 2 319.452 3.995 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459478446 339031613 /nfs/dbraw/zinc/03/16/13/339031613.db2.gz INHBPLXRIQHINS-KRWDZBQOSA-N 2 2 309.457 3.752 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459478446 339031614 /nfs/dbraw/zinc/03/16/14/339031614.db2.gz INHBPLXRIQHINS-KRWDZBQOSA-N 2 2 309.457 3.752 20 0 DHADLP Cc1cccc2c(NCc3cn4ccccc4[nH+]3)c(C)c[nH+]c12 ZINC000462431069 339078778 /nfs/dbraw/zinc/07/87/78/339078778.db2.gz WSKPKBRRQVPWEK-UHFFFAOYSA-N 2 2 302.381 3.533 20 0 DHADLP C[C@H]([NH2+]CCC[NH+](C)C)c1csc(-c2ccccc2F)n1 ZINC000462892493 339096486 /nfs/dbraw/zinc/09/64/86/339096486.db2.gz JEXNFPCQOJOTML-LBPRGKRZSA-N 2 2 307.438 3.552 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C[N@@H+]1C1CC1 ZINC000466471463 339206412 /nfs/dbraw/zinc/20/64/12/339206412.db2.gz CPOPSHQOOWYUMI-VYESFELBSA-N 2 2 322.855 3.940 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C[N@H+]1C1CC1 ZINC000466471463 339206413 /nfs/dbraw/zinc/20/64/13/339206413.db2.gz CPOPSHQOOWYUMI-VYESFELBSA-N 2 2 322.855 3.940 20 0 DHADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000466477441 339206703 /nfs/dbraw/zinc/20/67/03/339206703.db2.gz LWWGUKJVMRGAGC-RKOGSIPDSA-N 2 2 313.272 3.779 20 0 DHADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000466477441 339206704 /nfs/dbraw/zinc/20/67/04/339206704.db2.gz LWWGUKJVMRGAGC-RKOGSIPDSA-N 2 2 313.272 3.779 20 0 DHADLP COc1cccc(CCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)c1 ZINC000466928065 339221841 /nfs/dbraw/zinc/22/18/41/339221841.db2.gz YLYKAYYUSBBGGR-MOPGFXCFSA-N 2 2 316.489 3.575 20 0 DHADLP COc1cccc(CCC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)c1 ZINC000466928065 339221842 /nfs/dbraw/zinc/22/18/42/339221842.db2.gz YLYKAYYUSBBGGR-MOPGFXCFSA-N 2 2 316.489 3.575 20 0 DHADLP COc1cccc(CCC[NH+]2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000466928065 339221843 /nfs/dbraw/zinc/22/18/43/339221843.db2.gz YLYKAYYUSBBGGR-MOPGFXCFSA-N 2 2 316.489 3.575 20 0 DHADLP COc1cccc(CCC[NH+]2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000466928065 339221844 /nfs/dbraw/zinc/22/18/44/339221844.db2.gz YLYKAYYUSBBGGR-MOPGFXCFSA-N 2 2 316.489 3.575 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000468050824 339252959 /nfs/dbraw/zinc/25/29/59/339252959.db2.gz NECUNTOGHJHIHX-SFHVURJKSA-N 2 2 318.436 3.646 20 0 DHADLP CCCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000468553658 339266069 /nfs/dbraw/zinc/26/60/69/339266069.db2.gz KZYFVWPGQLSUFR-WMZOPIPTSA-N 2 2 310.526 3.824 20 0 DHADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000468553655 339266165 /nfs/dbraw/zinc/26/61/65/339266165.db2.gz KZYFVWPGQLSUFR-AEFFLSMTSA-N 2 2 310.526 3.824 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCCC(F)(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000468555726 339266294 /nfs/dbraw/zinc/26/62/94/339266294.db2.gz RRPPIIJAAPZCNW-GDBMZVCRSA-N 2 2 314.395 3.829 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCCC(F)(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000468555726 339266295 /nfs/dbraw/zinc/26/62/95/339266295.db2.gz RRPPIIJAAPZCNW-GDBMZVCRSA-N 2 2 314.395 3.829 20 0 DHADLP C[NH2+]C1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000469993425 339307328 /nfs/dbraw/zinc/30/73/28/339307328.db2.gz VJRXIEDJXGENDG-UHFFFAOYSA-N 2 2 304.434 3.738 20 0 DHADLP CCCCOc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000470018249 339308726 /nfs/dbraw/zinc/30/87/26/339308726.db2.gz OAZPGWYATZNPBK-UHFFFAOYSA-N 2 2 316.489 3.830 20 0 DHADLP CCC1(c2ccc(Cl)cc2)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000470866660 339329447 /nfs/dbraw/zinc/32/94/47/339329447.db2.gz OFPVWKQSTJNASS-UHFFFAOYSA-N 2 2 317.864 3.980 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000471622113 339349856 /nfs/dbraw/zinc/34/98/56/339349856.db2.gz XWKVOASNOSHPOF-IPHXSNPTSA-N 2 2 324.468 3.964 20 0 DHADLP C[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@@H](c1ccccc1)[NH+](C)C ZINC000472036696 339359887 /nfs/dbraw/zinc/35/98/87/339359887.db2.gz FFBFXCSPBZSJGD-YWZLYKJASA-N 2 2 307.441 3.949 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000474055799 339399680 /nfs/dbraw/zinc/39/96/80/339399680.db2.gz SUBCJSGMKPBJNI-QYZOEREBSA-N 2 2 314.473 3.634 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000474055799 339399681 /nfs/dbraw/zinc/39/96/81/339399681.db2.gz SUBCJSGMKPBJNI-QYZOEREBSA-N 2 2 314.473 3.634 20 0 DHADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)C2CCSCC2)[NH+](C)C)cc1 ZINC000474479811 339416813 /nfs/dbraw/zinc/41/68/13/339416813.db2.gz SJBJRUSDYUMZBY-HNAYVOBHSA-N 2 2 320.546 3.973 20 0 DHADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000474483591 339417241 /nfs/dbraw/zinc/41/72/41/339417241.db2.gz XHLGFGPJEVADAX-ZCNNSNEGSA-N 2 2 316.489 3.618 20 0 DHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000474796799 339426390 /nfs/dbraw/zinc/42/63/90/339426390.db2.gz BWRDHTDLKQQFIY-VQTJNVASSA-N 3 2 317.521 3.813 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000474798178 339426531 /nfs/dbraw/zinc/42/65/31/339426531.db2.gz WWGKPEQJYYEAIT-IRXDYDNUSA-N 2 2 310.526 3.680 20 0 DHADLP C[C@@H](C[NH2+]CCCCc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000474895150 339430290 /nfs/dbraw/zinc/43/02/90/339430290.db2.gz VHHAIKDLTKHMLU-ZDUSSCGKSA-N 2 2 302.384 3.568 20 0 DHADLP C[C@@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475359108 339449182 /nfs/dbraw/zinc/44/91/82/339449182.db2.gz UQNSXCABCBGOHE-WPPJOMGTSA-N 2 2 304.400 3.570 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc3c(c2)COC3)[NH+](C)C)cc1 ZINC000481968225 339618235 /nfs/dbraw/zinc/61/82/35/339618235.db2.gz ZLUYCBYDCPDECX-IERDGZPVSA-N 2 2 324.468 3.979 20 0 DHADLP COc1ccc(OC)c([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000483855477 339676584 /nfs/dbraw/zinc/67/65/84/339676584.db2.gz DTOQRSQPBWFCGZ-INIZCTEOSA-N 2 2 322.493 3.863 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CCOCC1)c1ccccc1 ZINC000495058158 339971843 /nfs/dbraw/zinc/97/18/43/339971843.db2.gz IFGVYDGBIBCPFA-VUHPKUFZSA-N 2 2 316.489 3.521 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCSC2CCCCC2)C1 ZINC000501006963 340072183 /nfs/dbraw/zinc/07/21/83/340072183.db2.gz JXPZWPPYTAAXOP-INIZCTEOSA-N 2 2 321.534 3.741 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCSC2CCCCC2)C1 ZINC000501006963 340072184 /nfs/dbraw/zinc/07/21/84/340072184.db2.gz JXPZWPPYTAAXOP-INIZCTEOSA-N 2 2 321.534 3.741 20 0 DHADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Cl)c1Cl ZINC000502717162 340111856 /nfs/dbraw/zinc/11/18/56/340111856.db2.gz WYUKRIXQQPVHGI-CYBMUJFWSA-N 2 2 301.261 3.910 20 0 DHADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(Cl)c1Cl ZINC000502717162 340111857 /nfs/dbraw/zinc/11/18/57/340111857.db2.gz WYUKRIXQQPVHGI-CYBMUJFWSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(Cl)c1Cl ZINC000502717162 340111858 /nfs/dbraw/zinc/11/18/58/340111858.db2.gz WYUKRIXQQPVHGI-CYBMUJFWSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc(Cl)c1Cl ZINC000502717162 340111859 /nfs/dbraw/zinc/11/18/59/340111859.db2.gz WYUKRIXQQPVHGI-CYBMUJFWSA-N 2 2 301.261 3.910 20 0 DHADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Cl)c1Cl ZINC000502717163 340111886 /nfs/dbraw/zinc/11/18/86/340111886.db2.gz WYUKRIXQQPVHGI-ZDUSSCGKSA-N 2 2 301.261 3.910 20 0 DHADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(Cl)c1Cl ZINC000502717163 340111887 /nfs/dbraw/zinc/11/18/87/340111887.db2.gz WYUKRIXQQPVHGI-ZDUSSCGKSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(Cl)c1Cl ZINC000502717163 340111888 /nfs/dbraw/zinc/11/18/88/340111888.db2.gz WYUKRIXQQPVHGI-ZDUSSCGKSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(Cl)c1Cl ZINC000502717163 340111889 /nfs/dbraw/zinc/11/18/89/340111889.db2.gz WYUKRIXQQPVHGI-ZDUSSCGKSA-N 2 2 301.261 3.910 20 0 DHADLP Cc1cc(Nc2[nH+]cnc3[nH]ccc32)c[nH+]c1N1CCCC[C@@H]1C ZINC000503296345 340124900 /nfs/dbraw/zinc/12/49/00/340124900.db2.gz QQXJLTLCCTZLSB-ZDUSSCGKSA-N 2 2 322.416 3.784 20 0 DHADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000503572721 340131127 /nfs/dbraw/zinc/13/11/27/340131127.db2.gz HEZCXIAWMBNXHR-INIZCTEOSA-N 2 2 314.429 3.893 20 0 DHADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000503572721 340131128 /nfs/dbraw/zinc/13/11/28/340131128.db2.gz HEZCXIAWMBNXHR-INIZCTEOSA-N 2 2 314.429 3.893 20 0 DHADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@H](c2ccccc2)[NH+](CC)CC)CCO1 ZINC000503576342 340131375 /nfs/dbraw/zinc/13/13/75/340131375.db2.gz OKFKVBHVUWHKTR-DFQSSKMNSA-N 2 2 318.505 3.864 20 0 DHADLP CC[C@H]1C[C@H](C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000503580981 340131484 /nfs/dbraw/zinc/13/14/84/340131484.db2.gz HXIOLZFVAVYATR-MOPGFXCFSA-N 2 2 318.505 3.692 20 0 DHADLP CC[C@H]1C[C@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000503580981 340131485 /nfs/dbraw/zinc/13/14/85/340131485.db2.gz HXIOLZFVAVYATR-MOPGFXCFSA-N 2 2 318.505 3.692 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000503912441 340136605 /nfs/dbraw/zinc/13/66/05/340136605.db2.gz SBRMIHKXSMCXIG-XLNGHYISSA-N 2 2 324.415 3.572 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000503912441 340136606 /nfs/dbraw/zinc/13/66/06/340136606.db2.gz SBRMIHKXSMCXIG-XLNGHYISSA-N 2 2 324.415 3.572 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC000507446392 340220017 /nfs/dbraw/zinc/22/00/17/340220017.db2.gz TYCJMTPMVACQMH-DAXSKMNVSA-N 2 2 312.379 3.706 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@@H]1C ZINC000507465570 340221084 /nfs/dbraw/zinc/22/10/84/340221084.db2.gz BHKHDXBLPOOVLX-UMVBOHGHSA-N 2 2 306.416 3.818 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC000507506216 340223164 /nfs/dbraw/zinc/22/31/64/340223164.db2.gz FPNDYOPVXLITLO-SQWLQELKSA-N 2 2 318.427 3.962 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000507506210 340223242 /nfs/dbraw/zinc/22/32/42/340223242.db2.gz FPNDYOPVXLITLO-IIAWOOMASA-N 2 2 318.427 3.962 20 0 DHADLP C[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000507522852 340224384 /nfs/dbraw/zinc/22/43/84/340224384.db2.gz HSQULVMRXWZXKJ-UONOGXRCSA-N 2 2 306.416 3.819 20 0 DHADLP C[C@@H](F)CC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509133597 340261908 /nfs/dbraw/zinc/26/19/08/340261908.db2.gz AOPMFIYSLUBJKD-QAPCUYQASA-N 2 2 306.469 3.797 20 0 DHADLP C[C@@H](F)CC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509133597 340261909 /nfs/dbraw/zinc/26/19/09/340261909.db2.gz AOPMFIYSLUBJKD-QAPCUYQASA-N 2 2 306.469 3.797 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000509824832 340280639 /nfs/dbraw/zinc/28/06/39/340280639.db2.gz AHIRUNOLQMVBTI-PGNDWZGLSA-N 2 2 318.505 3.802 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000510330885 340296211 /nfs/dbraw/zinc/29/62/11/340296211.db2.gz HZHWXEJLALEUMM-OXQOHEQNSA-N 2 2 312.457 3.524 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)sc1Br ZINC000512129996 340349359 /nfs/dbraw/zinc/34/93/59/340349359.db2.gz MEAVRAKAOUFWEP-WDEREUQCSA-N 2 2 317.296 3.564 20 0 DHADLP CC(C)[N@@H+]1C[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000510729244 340308384 /nfs/dbraw/zinc/30/83/84/340308384.db2.gz CRKTXPAHHHITOY-IYOUNJFTSA-N 2 2 310.432 3.604 20 0 DHADLP CC(C)[N@H+]1C[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)[C@@H](C)C1 ZINC000510729244 340308385 /nfs/dbraw/zinc/30/83/85/340308385.db2.gz CRKTXPAHHHITOY-IYOUNJFTSA-N 2 2 310.432 3.604 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)sc1Br ZINC000512129996 340349360 /nfs/dbraw/zinc/34/93/60/340349360.db2.gz MEAVRAKAOUFWEP-WDEREUQCSA-N 2 2 317.296 3.564 20 0 DHADLP COCC[C@H]([NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(C)(C)C ZINC000510979606 340316958 /nfs/dbraw/zinc/31/69/58/340316958.db2.gz VTMQAKSCQSUXAG-NEWSRXKRSA-N 2 2 318.505 3.863 20 0 DHADLP COCC[C@H]([NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)(C)C ZINC000510979606 340316959 /nfs/dbraw/zinc/31/69/59/340316959.db2.gz VTMQAKSCQSUXAG-NEWSRXKRSA-N 2 2 318.505 3.863 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000303374949 340323990 /nfs/dbraw/zinc/32/39/90/340323990.db2.gz GTMCOWBGARIKFM-QFBILLFUSA-N 2 2 310.441 3.620 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000303374949 340323991 /nfs/dbraw/zinc/32/39/91/340323991.db2.gz GTMCOWBGARIKFM-QFBILLFUSA-N 2 2 310.441 3.620 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)sc1Br ZINC000512129737 340349478 /nfs/dbraw/zinc/34/94/78/340349478.db2.gz MEAVRAKAOUFWEP-MNOVXSKESA-N 2 2 317.296 3.564 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)sc1Br ZINC000512129737 340349479 /nfs/dbraw/zinc/34/94/79/340349479.db2.gz MEAVRAKAOUFWEP-MNOVXSKESA-N 2 2 317.296 3.564 20 0 DHADLP C[C@H]1CCC[C@H](C)C1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000513050936 340390823 /nfs/dbraw/zinc/39/08/23/340390823.db2.gz IQXJYXPTTTUIHH-STQMWFEESA-N 2 2 306.416 3.818 20 0 DHADLP Cc1nc(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc[nH+]1 ZINC000184351190 340492261 /nfs/dbraw/zinc/49/22/61/340492261.db2.gz IWNINVVUXLCOKW-AWEZNQCLSA-N 2 2 324.350 3.519 20 0 DHADLP Clc1csc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000193039200 340571869 /nfs/dbraw/zinc/57/18/69/340571869.db2.gz XXFUBCUONDIJKJ-UHFFFAOYSA-N 2 2 303.818 3.877 20 0 DHADLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCc3ccc(Cl)cc31)CC2 ZINC000542266516 341002597 /nfs/dbraw/zinc/00/25/97/341002597.db2.gz DMUFTXHUWLGTPJ-QGZVFWFLSA-N 2 2 304.865 3.888 20 0 DHADLP C[N@H+]1CCCC12CC[NH+]([C@@H]1CCc3ccc(Cl)cc31)CC2 ZINC000542266516 341002598 /nfs/dbraw/zinc/00/25/98/341002598.db2.gz DMUFTXHUWLGTPJ-QGZVFWFLSA-N 2 2 304.865 3.888 20 0 DHADLP Fc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccn2)cc1 ZINC000542476632 341009148 /nfs/dbraw/zinc/00/91/48/341009148.db2.gz AAAKTULFVGWFFD-LJQANCHMSA-N 2 2 324.403 3.577 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccsc2S1 ZINC000130391411 341020572 /nfs/dbraw/zinc/02/05/72/341020572.db2.gz LMPXVOODQALVHX-GXTWGEPZSA-N 2 2 307.488 3.940 20 0 DHADLP C[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C[C@@H]1n1cc[nH+]c1 ZINC000542915125 341026095 /nfs/dbraw/zinc/02/60/95/341026095.db2.gz JFWKJHLSUNOKGM-HLIPFELVSA-N 2 2 309.457 3.571 20 0 DHADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@@H]1n1cc[nH+]c1 ZINC000542915125 341026096 /nfs/dbraw/zinc/02/60/96/341026096.db2.gz JFWKJHLSUNOKGM-HLIPFELVSA-N 2 2 309.457 3.571 20 0 DHADLP CS[C@H](C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000543426373 341044012 /nfs/dbraw/zinc/04/40/12/341044012.db2.gz QRHUUBXHVBIOSZ-QZTJIDSGSA-N 2 2 320.546 3.671 20 0 DHADLP CS[C@H](C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000543426373 341044013 /nfs/dbraw/zinc/04/40/13/341044013.db2.gz QRHUUBXHVBIOSZ-QZTJIDSGSA-N 2 2 320.546 3.671 20 0 DHADLP CC(C)[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000543774972 341058173 /nfs/dbraw/zinc/05/81/73/341058173.db2.gz HAUOCIBMPGARKB-KRWDZBQOSA-N 2 2 307.388 3.928 20 0 DHADLP Cc1cc(C)cc([C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000544369988 341078637 /nfs/dbraw/zinc/07/86/37/341078637.db2.gz WQTLPNHKKKLOCY-KRWDZBQOSA-N 2 2 305.425 3.941 20 0 DHADLP Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000544369988 341078638 /nfs/dbraw/zinc/07/86/38/341078638.db2.gz WQTLPNHKKKLOCY-KRWDZBQOSA-N 2 2 305.425 3.941 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000544608883 341088646 /nfs/dbraw/zinc/08/86/46/341088646.db2.gz HDBCSWJUFHICJJ-RGDDUWESSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000544608883 341088647 /nfs/dbraw/zinc/08/86/47/341088647.db2.gz HDBCSWJUFHICJJ-RGDDUWESSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000544608883 341088648 /nfs/dbraw/zinc/08/86/48/341088648.db2.gz HDBCSWJUFHICJJ-RGDDUWESSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000544608883 341088649 /nfs/dbraw/zinc/08/86/49/341088649.db2.gz HDBCSWJUFHICJJ-RGDDUWESSA-N 2 2 308.416 3.642 20 0 DHADLP CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000544831139 341095288 /nfs/dbraw/zinc/09/52/88/341095288.db2.gz VXUXUHCICPIMRF-JKSUJKDBSA-N 2 2 314.395 3.624 20 0 DHADLP CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000544831139 341095289 /nfs/dbraw/zinc/09/52/89/341095289.db2.gz VXUXUHCICPIMRF-JKSUJKDBSA-N 2 2 314.395 3.624 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000545341465 341122496 /nfs/dbraw/zinc/12/24/96/341122496.db2.gz BOHPHTSZUYFKBK-UHFFFAOYSA-N 2 2 310.228 3.744 20 0 DHADLP C[C@@]1([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCc2ccccc21 ZINC000546578971 341173382 /nfs/dbraw/zinc/17/33/82/341173382.db2.gz GORRNUOPDXMXQW-OAQYLSRUSA-N 2 2 321.468 3.892 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccncc3Cl)C2)CC1 ZINC000075677038 341180742 /nfs/dbraw/zinc/18/07/42/341180742.db2.gz WBYQZFLPUKLQPI-INIZCTEOSA-N 2 2 321.896 3.679 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)CC1 ZINC000075677038 341180743 /nfs/dbraw/zinc/18/07/43/341180743.db2.gz WBYQZFLPUKLQPI-INIZCTEOSA-N 2 2 321.896 3.679 20 0 DHADLP CC1=CC[N@H+](CC[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000547278900 341203373 /nfs/dbraw/zinc/20/33/73/341203373.db2.gz UYNWTLGXSQCFPJ-CQSZACIVSA-N 2 2 323.278 3.752 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000547278900 341203374 /nfs/dbraw/zinc/20/33/74/341203374.db2.gz UYNWTLGXSQCFPJ-CQSZACIVSA-N 2 2 323.278 3.752 20 0 DHADLP COc1cccc(Cl)c1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000134779621 341223984 /nfs/dbraw/zinc/22/39/84/341223984.db2.gz VWPBKAGVZCVLNV-AWEZNQCLSA-N 2 2 310.869 3.703 20 0 DHADLP COc1cccc(Cl)c1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000134779621 341223985 /nfs/dbraw/zinc/22/39/85/341223985.db2.gz VWPBKAGVZCVLNV-AWEZNQCLSA-N 2 2 310.869 3.703 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134881314 341225914 /nfs/dbraw/zinc/22/59/14/341225914.db2.gz LMUNNRSSFXLGSG-PJIJBLCYSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134881314 341225915 /nfs/dbraw/zinc/22/59/15/341225915.db2.gz LMUNNRSSFXLGSG-PJIJBLCYSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134881314 341225916 /nfs/dbraw/zinc/22/59/16/341225916.db2.gz LMUNNRSSFXLGSG-PJIJBLCYSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134881314 341225917 /nfs/dbraw/zinc/22/59/17/341225917.db2.gz LMUNNRSSFXLGSG-PJIJBLCYSA-N 2 2 320.427 3.975 20 0 DHADLP CCCCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000136207644 341254999 /nfs/dbraw/zinc/25/49/99/341254999.db2.gz OKNQPTUNXYGBGT-AEFFLSMTSA-N 2 2 304.478 3.780 20 0 DHADLP CCCCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000136207644 341255000 /nfs/dbraw/zinc/25/50/00/341255000.db2.gz OKNQPTUNXYGBGT-AEFFLSMTSA-N 2 2 304.478 3.780 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000136207644 341255001 /nfs/dbraw/zinc/25/50/01/341255001.db2.gz OKNQPTUNXYGBGT-AEFFLSMTSA-N 2 2 304.478 3.780 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000136207644 341255002 /nfs/dbraw/zinc/25/50/02/341255002.db2.gz OKNQPTUNXYGBGT-AEFFLSMTSA-N 2 2 304.478 3.780 20 0 DHADLP Clc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000548442352 341260817 /nfs/dbraw/zinc/26/08/17/341260817.db2.gz MALYHKWNFICOIJ-UHFFFAOYSA-N 2 2 307.850 3.873 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000548635016 341268155 /nfs/dbraw/zinc/26/81/55/341268155.db2.gz FILIBVJILRFXKF-ZBFHGGJFSA-N 2 2 301.821 3.519 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245440955 341294357 /nfs/dbraw/zinc/29/43/57/341294357.db2.gz VBVJIOVPJZYTOK-BBRMVZONSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245440955 341294358 /nfs/dbraw/zinc/29/43/58/341294358.db2.gz VBVJIOVPJZYTOK-BBRMVZONSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245440955 341294359 /nfs/dbraw/zinc/29/43/59/341294359.db2.gz VBVJIOVPJZYTOK-BBRMVZONSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245440955 341294360 /nfs/dbraw/zinc/29/43/60/341294360.db2.gz VBVJIOVPJZYTOK-BBRMVZONSA-N 2 2 310.869 3.511 20 0 DHADLP COc1cc2c(cc1Cl)C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000550113320 341310303 /nfs/dbraw/zinc/31/03/03/341310303.db2.gz SJKLYUCORLYMAD-INIZCTEOSA-N 2 2 322.880 3.581 20 0 DHADLP COc1cc2c(cc1Cl)C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000550113320 341310304 /nfs/dbraw/zinc/31/03/04/341310304.db2.gz SJKLYUCORLYMAD-INIZCTEOSA-N 2 2 322.880 3.581 20 0 DHADLP COc1cc2c(cc1Cl)C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000550113320 341310305 /nfs/dbraw/zinc/31/03/05/341310305.db2.gz SJKLYUCORLYMAD-INIZCTEOSA-N 2 2 322.880 3.581 20 0 DHADLP COc1cc2c(cc1Cl)C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC2 ZINC000550113320 341310306 /nfs/dbraw/zinc/31/03/06/341310306.db2.gz SJKLYUCORLYMAD-INIZCTEOSA-N 2 2 322.880 3.581 20 0 DHADLP CC(C)(C)C1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000550256178 341313648 /nfs/dbraw/zinc/31/36/48/341313648.db2.gz ARRLUWHRABAFPA-UHFFFAOYSA-N 2 2 301.409 3.926 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCOC2)[NH+](CC)CC)cc1 ZINC000550846813 341324239 /nfs/dbraw/zinc/32/42/39/341324239.db2.gz GYIKWJCCOHATSU-UXPWSPDFSA-N 2 2 318.505 3.647 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@]2(C)CCCO2)[NH+]2CCCC2)cc1 ZINC000551030652 341329733 /nfs/dbraw/zinc/32/97/33/341329733.db2.gz YGXCRUZKVXRPBJ-YZGWKJHDSA-N 2 2 316.489 3.679 20 0 DHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(C)CCC1 ZINC000551066298 341330920 /nfs/dbraw/zinc/33/09/20/341330920.db2.gz AIBNERZFLCBFGI-UHFFFAOYSA-N 2 2 301.478 3.810 20 0 DHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(C)CCC1 ZINC000551066298 341330921 /nfs/dbraw/zinc/33/09/21/341330921.db2.gz AIBNERZFLCBFGI-UHFFFAOYSA-N 2 2 301.478 3.810 20 0 DHADLP c1[nH+]c2n(c1C[NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)CCCC2 ZINC000551232968 341334677 /nfs/dbraw/zinc/33/46/77/341334677.db2.gz HIIQPXLWOVYEDC-ROUUACIJSA-N 2 2 309.457 3.720 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246229837 341335827 /nfs/dbraw/zinc/33/58/27/341335827.db2.gz RZVIAZALBRBSSG-KGLIPLIRSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246229837 341335828 /nfs/dbraw/zinc/33/58/28/341335828.db2.gz RZVIAZALBRBSSG-KGLIPLIRSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000551581702 341346344 /nfs/dbraw/zinc/34/63/44/341346344.db2.gz MSXSWLUTTJYRQH-CHWSQXEVSA-N 2 2 312.910 3.939 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc(Cl)s2)C[N@H+]1C1CC1 ZINC000551581702 341346345 /nfs/dbraw/zinc/34/63/45/341346345.db2.gz MSXSWLUTTJYRQH-CHWSQXEVSA-N 2 2 312.910 3.939 20 0 DHADLP CCCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246445039 341349008 /nfs/dbraw/zinc/34/90/08/341349008.db2.gz NMLQECNSZYMKKX-APWZRJJASA-N 2 2 313.445 3.755 20 0 DHADLP CCCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246445039 341349009 /nfs/dbraw/zinc/34/90/09/341349009.db2.gz NMLQECNSZYMKKX-APWZRJJASA-N 2 2 313.445 3.755 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551817586 341352963 /nfs/dbraw/zinc/35/29/63/341352963.db2.gz PWPYFRMQTKUOHB-DYVFJYSZSA-N 2 2 304.865 3.792 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551817586 341352964 /nfs/dbraw/zinc/35/29/64/341352964.db2.gz PWPYFRMQTKUOHB-DYVFJYSZSA-N 2 2 304.865 3.792 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551817588 341353046 /nfs/dbraw/zinc/35/30/46/341353046.db2.gz PWPYFRMQTKUOHB-SUMWQHHRSA-N 2 2 304.865 3.792 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551817588 341353047 /nfs/dbraw/zinc/35/30/47/341353047.db2.gz PWPYFRMQTKUOHB-SUMWQHHRSA-N 2 2 304.865 3.792 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246855726 341357807 /nfs/dbraw/zinc/35/78/07/341357807.db2.gz CSVZOOYMSZTRLZ-XSYGEPLQSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246855726 341357808 /nfs/dbraw/zinc/35/78/08/341357808.db2.gz CSVZOOYMSZTRLZ-XSYGEPLQSA-N 2 2 315.505 3.708 20 0 DHADLP Clc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246877474 341358099 /nfs/dbraw/zinc/35/80/99/341358099.db2.gz QIZJYMHBSMBHES-WFASDCNBSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246877474 341358100 /nfs/dbraw/zinc/35/81/00/341358100.db2.gz QIZJYMHBSMBHES-WFASDCNBSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000246877474 341358101 /nfs/dbraw/zinc/35/81/01/341358101.db2.gz QIZJYMHBSMBHES-WFASDCNBSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000246877474 341358102 /nfs/dbraw/zinc/35/81/02/341358102.db2.gz QIZJYMHBSMBHES-WFASDCNBSA-N 2 2 310.894 3.850 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc(F)c2)CC[N@@H+]1C ZINC000247022638 341360005 /nfs/dbraw/zinc/36/00/05/341360005.db2.gz KVRLSCUFMDDLNQ-CDHQVMDDSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc(F)c2)CC[N@H+]1C ZINC000247022638 341360006 /nfs/dbraw/zinc/36/00/06/341360006.db2.gz KVRLSCUFMDDLNQ-CDHQVMDDSA-N 2 2 312.432 3.987 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000247142151 341361351 /nfs/dbraw/zinc/36/13/51/341361351.db2.gz WFLVCMDMKWHYOI-JZXOWHBKSA-N 2 2 304.478 3.615 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000247142151 341361352 /nfs/dbraw/zinc/36/13/52/341361352.db2.gz WFLVCMDMKWHYOI-JZXOWHBKSA-N 2 2 304.478 3.615 20 0 DHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000552062133 341366161 /nfs/dbraw/zinc/36/61/61/341366161.db2.gz NJNHZQOTWDZFFN-IEBWSBKVSA-N 2 2 301.478 3.593 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)oc21 ZINC000247974811 341371785 /nfs/dbraw/zinc/37/17/85/341371785.db2.gz KKPXYDIWXSXVSC-DZKIICNBSA-N 2 2 316.445 3.965 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)oc21 ZINC000247974811 341371786 /nfs/dbraw/zinc/37/17/86/341371786.db2.gz KKPXYDIWXSXVSC-DZKIICNBSA-N 2 2 316.445 3.965 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)s1 ZINC000248056045 341372767 /nfs/dbraw/zinc/37/27/67/341372767.db2.gz XLGJNKZTTNLGGT-JHJVBQTASA-N 2 2 316.898 3.551 20 0 DHADLP C[NH+](CCC[N@@H+](C)CCCc1ccccc1)Cc1ccco1 ZINC000552268587 341382420 /nfs/dbraw/zinc/38/24/20/341382420.db2.gz RIVQMUSUEHWQRM-UHFFFAOYSA-N 2 2 300.446 3.666 20 0 DHADLP C[NH+](CCC[N@H+](C)CCCc1ccccc1)Cc1ccco1 ZINC000552268587 341382421 /nfs/dbraw/zinc/38/24/21/341382421.db2.gz RIVQMUSUEHWQRM-UHFFFAOYSA-N 2 2 300.446 3.666 20 0 DHADLP C[NH+](CCCc1ccccc1)CCC[N@H+](C)Cc1ccco1 ZINC000552268587 341382422 /nfs/dbraw/zinc/38/24/22/341382422.db2.gz RIVQMUSUEHWQRM-UHFFFAOYSA-N 2 2 300.446 3.666 20 0 DHADLP C[NH+](CCCc1ccccc1)CCC[N@@H+](C)Cc1ccco1 ZINC000552268587 341382423 /nfs/dbraw/zinc/38/24/23/341382423.db2.gz RIVQMUSUEHWQRM-UHFFFAOYSA-N 2 2 300.446 3.666 20 0 DHADLP CCCC[C@@H](COC)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000155883760 341614337 /nfs/dbraw/zinc/61/43/37/341614337.db2.gz HSPKTGSUBVKYQJ-INIZCTEOSA-N 2 2 303.450 3.530 20 0 DHADLP CC(C)c1cc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000567936237 341641579 /nfs/dbraw/zinc/64/15/79/341641579.db2.gz NYICYQNEXSYVTR-RDJZCZTQSA-N 2 2 316.493 3.786 20 0 DHADLP CCc1noc(CC)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000166927809 341721895 /nfs/dbraw/zinc/72/18/95/341721895.db2.gz HDEOCXGENMEEIJ-UHFFFAOYSA-N 2 2 319.493 3.686 20 0 DHADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCCNc2ccccc21)c1ccccc1 ZINC000192605375 341879388 /nfs/dbraw/zinc/87/93/88/341879388.db2.gz KNABZRHSVXCLTG-VQTJNVASSA-N 2 2 309.457 3.826 20 0 DHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180458718 519676381 /nfs/dbraw/zinc/67/63/81/519676381.db2.gz WHQYVULBFBHAIX-RXVVDRJESA-N 2 2 323.484 3.881 20 0 DHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180458718 519676385 /nfs/dbraw/zinc/67/63/85/519676385.db2.gz WHQYVULBFBHAIX-RXVVDRJESA-N 2 2 323.484 3.881 20 0 DHADLP CC1(C)Cc2cccc(C[NH2+]C3CC[NH+](C4CCC4)CC3)c2O1 ZINC000265673405 520582403 /nfs/dbraw/zinc/58/24/03/520582403.db2.gz XLLGAVRKQMGYAA-UHFFFAOYSA-N 2 2 314.473 3.507 20 0 DHADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000182593280 520863426 /nfs/dbraw/zinc/86/34/26/520863426.db2.gz QYFOPVIETKZPLV-FXAWDEMLSA-N 2 2 313.489 3.628 20 0 DHADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000163700085 522651091 /nfs/dbraw/zinc/65/10/91/522651091.db2.gz KGEITPCVTXWHIS-NRFANRHFSA-N 2 2 324.468 3.760 20 0 DHADLP C[N@H+](CCC(F)(F)F)[C@@H]1CCC[NH+](CCC(F)(F)F)CC1 ZINC000156967527 522696415 /nfs/dbraw/zinc/69/64/15/522696415.db2.gz KWCJOMRPZKYWBJ-LLVKDONJSA-N 2 2 320.321 3.678 20 0 DHADLP C[N@@H+](CCC(F)(F)F)[C@@H]1CCC[NH+](CCC(F)(F)F)CC1 ZINC000156967527 522696423 /nfs/dbraw/zinc/69/64/23/522696423.db2.gz KWCJOMRPZKYWBJ-LLVKDONJSA-N 2 2 320.321 3.678 20 0 DHADLP C[NH+](CCC(F)(F)F)[C@@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC000156967527 522696429 /nfs/dbraw/zinc/69/64/29/522696429.db2.gz KWCJOMRPZKYWBJ-LLVKDONJSA-N 2 2 320.321 3.678 20 0 DHADLP C[NH+](CCC(F)(F)F)[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC000156967527 522696433 /nfs/dbraw/zinc/69/64/33/522696433.db2.gz KWCJOMRPZKYWBJ-LLVKDONJSA-N 2 2 320.321 3.678 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1cccc(F)c1 ZINC000364154486 522853905 /nfs/dbraw/zinc/85/39/05/522853905.db2.gz FBTOLKKLSVRPOE-DOTOQJQBSA-N 2 2 301.409 3.949 20 0 DHADLP CC[C@@H](NC[C@H](c1ccccc1)[NH+](CC)CC)c1[nH+]ccn1C ZINC000182184125 522864015 /nfs/dbraw/zinc/86/40/15/522864015.db2.gz HZIJFGMVYCDORC-QZTJIDSGSA-N 2 2 314.477 3.544 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000363835978 522886246 /nfs/dbraw/zinc/88/62/46/522886246.db2.gz ZBAFRYBBBQCLOC-QGZVFWFLSA-N 2 2 310.376 3.647 20 0 DHADLP CCn1c2ccccc2[nH+]c1NCc1c[nH+]c2ccc(C)cn12 ZINC000158899250 523287890 /nfs/dbraw/zinc/28/78/90/523287890.db2.gz LSCLELPAXPWOIK-UHFFFAOYSA-N 2 2 305.385 3.624 20 0 DHADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000237169437 523778297 /nfs/dbraw/zinc/77/82/97/523778297.db2.gz AJNNNHLTOJUVRS-UHFFFAOYSA-N 2 2 304.434 3.738 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000339155176 523926012 /nfs/dbraw/zinc/92/60/12/523926012.db2.gz ILABQGGRJCKTID-KRWDZBQOSA-N 2 2 324.472 3.556 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000339155176 523926016 /nfs/dbraw/zinc/92/60/16/523926016.db2.gz ILABQGGRJCKTID-KRWDZBQOSA-N 2 2 324.472 3.556 20 0 DHADLP COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000129344492 524037504 /nfs/dbraw/zinc/03/75/04/524037504.db2.gz HUWDLCOADAYWTJ-BBRMVZONSA-N 2 2 319.836 3.628 20 0 DHADLP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000129344492 524037506 /nfs/dbraw/zinc/03/75/06/524037506.db2.gz HUWDLCOADAYWTJ-BBRMVZONSA-N 2 2 319.836 3.628 20 0 DHADLP C[NH+](C)CCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000359360673 524057617 /nfs/dbraw/zinc/05/76/17/524057617.db2.gz HMZIGPVBGFZGJL-ZDUSSCGKSA-N 2 2 317.260 3.748 20 0 DHADLP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000188026722 524150501 /nfs/dbraw/zinc/15/05/01/524150501.db2.gz OXIPPADVGOEHHB-DLBZAZTESA-N 2 2 301.478 3.604 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000188913402 524202719 /nfs/dbraw/zinc/20/27/19/524202719.db2.gz PQMBNXIUVJWBFL-UHFFFAOYSA-N 2 2 323.362 3.765 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000337346882 524498606 /nfs/dbraw/zinc/49/86/06/524498606.db2.gz WWRKNBLLPMLUIQ-FTEYMNFISA-N 2 2 315.505 3.818 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000337346882 524498609 /nfs/dbraw/zinc/49/86/09/524498609.db2.gz WWRKNBLLPMLUIQ-FTEYMNFISA-N 2 2 315.505 3.818 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000337338993 524498785 /nfs/dbraw/zinc/49/87/85/524498785.db2.gz OHECXFJSQQJHJX-SOAMZJECSA-N 2 2 315.505 3.960 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)[N@H+]1CCCC[C@H]1C ZINC000337338993 524498790 /nfs/dbraw/zinc/49/87/90/524498790.db2.gz OHECXFJSQQJHJX-SOAMZJECSA-N 2 2 315.505 3.960 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000337338991 524498946 /nfs/dbraw/zinc/49/89/46/524498946.db2.gz OHECXFJSQQJHJX-FTEYMNFISA-N 2 2 315.505 3.960 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)[N@H+]1CCCC[C@H]1C ZINC000337338991 524498951 /nfs/dbraw/zinc/49/89/51/524498951.db2.gz OHECXFJSQQJHJX-FTEYMNFISA-N 2 2 315.505 3.960 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)CCC2 ZINC000152756818 525371658 /nfs/dbraw/zinc/37/16/58/525371658.db2.gz FVBCISICXCVEJE-HNNXBMFYSA-N 2 2 309.457 3.601 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1C[C@@H]1c1cccs1 ZINC000367439632 525516552 /nfs/dbraw/zinc/51/65/52/525516552.db2.gz VZHLSRMKRMMSGN-BMFZPTHFSA-N 2 2 324.453 3.611 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000162853776 525574568 /nfs/dbraw/zinc/57/45/68/525574568.db2.gz GYUXRXIKFCCBQQ-SFHVURJKSA-N 2 2 311.429 3.559 20 0 DHADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)CCC[N@@H+]1C ZINC000338012344 525668133 /nfs/dbraw/zinc/66/81/33/525668133.db2.gz PYWHZTVGGCXGGF-XFBWCDHKSA-N 2 2 323.278 3.509 20 0 DHADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)CCC[N@H+]1C ZINC000338012344 525668136 /nfs/dbraw/zinc/66/81/36/525668136.db2.gz PYWHZTVGGCXGGF-XFBWCDHKSA-N 2 2 323.278 3.509 20 0 DHADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)CCC[N@@H+]1C ZINC000338012342 525669153 /nfs/dbraw/zinc/66/91/53/525669153.db2.gz PYWHZTVGGCXGGF-RLCCDNCMSA-N 2 2 323.278 3.509 20 0 DHADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)CCC[N@H+]1C ZINC000338012342 525669163 /nfs/dbraw/zinc/66/91/63/525669163.db2.gz PYWHZTVGGCXGGF-RLCCDNCMSA-N 2 2 323.278 3.509 20 0 DHADLP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000267388660 525769341 /nfs/dbraw/zinc/76/93/41/525769341.db2.gz CHCGBNPMDHBTFN-MRXNPFEDSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000267388660 525769355 /nfs/dbraw/zinc/76/93/55/525769355.db2.gz CHCGBNPMDHBTFN-MRXNPFEDSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1ccsc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000268789576 525887472 /nfs/dbraw/zinc/88/74/72/525887472.db2.gz UBOHCXVBKYCHRN-HNNXBMFYSA-N 2 2 315.486 3.767 20 0 DHADLP C[C@H](c1ccc(Br)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181092784 526040392 /nfs/dbraw/zinc/04/03/92/526040392.db2.gz WAVCUDNKSMDVEX-CYBMUJFWSA-N 2 2 322.250 3.729 20 0 DHADLP C[C@H](c1ccc(Br)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181092784 526040396 /nfs/dbraw/zinc/04/03/96/526040396.db2.gz WAVCUDNKSMDVEX-CYBMUJFWSA-N 2 2 322.250 3.729 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266716962 526059420 /nfs/dbraw/zinc/05/94/20/526059420.db2.gz GQXXYWCFTOWCRY-LBPRGKRZSA-N 2 2 321.371 3.952 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266891596 526061043 /nfs/dbraw/zinc/06/10/43/526061043.db2.gz DCCUCIKAILTJKD-GXTWGEPZSA-N 2 2 321.371 3.952 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266891596 526061051 /nfs/dbraw/zinc/06/10/51/526061051.db2.gz DCCUCIKAILTJKD-GXTWGEPZSA-N 2 2 321.371 3.952 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181071343 526071239 /nfs/dbraw/zinc/07/12/39/526071239.db2.gz YYCJWWFDNXKQRQ-CYBMUJFWSA-N 2 2 322.250 3.729 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181071343 526071248 /nfs/dbraw/zinc/07/12/48/526071248.db2.gz YYCJWWFDNXKQRQ-CYBMUJFWSA-N 2 2 322.250 3.729 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337989852 526161444 /nfs/dbraw/zinc/16/14/44/526161444.db2.gz RDLOPOWFQLXFGI-YSGRDPCXSA-N 2 2 313.489 3.775 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000156402351 526335682 /nfs/dbraw/zinc/33/56/82/526335682.db2.gz GFENLCOGYSIICM-HNNXBMFYSA-N 2 2 306.768 3.527 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000156402351 526335686 /nfs/dbraw/zinc/33/56/86/526335686.db2.gz GFENLCOGYSIICM-HNNXBMFYSA-N 2 2 306.768 3.527 20 0 DHADLP c1cn(-c2ncccc2C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000130457619 526528042 /nfs/dbraw/zinc/52/80/42/526528042.db2.gz AMEGSOHRRYOODE-IEBWSBKVSA-N 2 2 318.424 3.693 20 0 DHADLP c1cn2c(cccc2C[NH+]2CCC(OCc3ccccc3)CC2)[nH+]1 ZINC000179630553 526536630 /nfs/dbraw/zinc/53/66/30/526536630.db2.gz BTBGMYCOGKYZLY-UHFFFAOYSA-N 2 2 321.424 3.516 20 0 DHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@H]3CCC[N@@H+]3C)cs2)cs1 ZINC000154573812 526562353 /nfs/dbraw/zinc/56/23/53/526562353.db2.gz XXISKBBETLMOMO-RISCZKNCSA-N 2 2 321.515 3.925 20 0 DHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@H]3CCC[N@H+]3C)cs2)cs1 ZINC000154573812 526562356 /nfs/dbraw/zinc/56/23/56/526562356.db2.gz XXISKBBETLMOMO-RISCZKNCSA-N 2 2 321.515 3.925 20 0 DHADLP Clc1ccc2c(c1)[nH+]ccc2N1CCC(n2cc[nH+]c2)CC1 ZINC000264964832 526968294 /nfs/dbraw/zinc/96/82/94/526968294.db2.gz XSDKUWMWQUHMAM-UHFFFAOYSA-N 2 2 312.804 3.926 20 0 DHADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cccnc2C)CC1 ZINC000366281337 527163343 /nfs/dbraw/zinc/16/33/43/527163343.db2.gz JQLHOQBLZKTZNO-UHFFFAOYSA-N 2 2 320.440 3.885 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000159222251 527410052 /nfs/dbraw/zinc/41/00/52/527410052.db2.gz IRXJWPZCPCRMPL-ZDUSSCGKSA-N 2 2 304.438 3.560 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000159222251 527410059 /nfs/dbraw/zinc/41/00/59/527410059.db2.gz IRXJWPZCPCRMPL-ZDUSSCGKSA-N 2 2 304.438 3.560 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338281452 527442042 /nfs/dbraw/zinc/44/20/42/527442042.db2.gz DOTUTNJUMNPBCM-LSDHHAIUSA-N 2 2 311.420 3.500 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338281452 527442044 /nfs/dbraw/zinc/44/20/44/527442044.db2.gz DOTUTNJUMNPBCM-LSDHHAIUSA-N 2 2 311.420 3.500 20 0 DHADLP FC(F)O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337281168 527695335 /nfs/dbraw/zinc/69/53/35/527695335.db2.gz HRDBBJHFPQHIGN-CVEARBPZSA-N 2 2 321.371 3.512 20 0 DHADLP CCC[C@H]([NH2+]CCCc1c[nH+]ccc1C)[C@@H](O)c1ccccc1 ZINC000289757510 535702940 /nfs/dbraw/zinc/70/29/40/535702940.db2.gz QFCQVXSRVNIVAF-PMACEKPBSA-N 2 2 312.457 3.815 20 0 DHADLP Cc1cccc2c(C)cc(N3CC4(C3)CC[N@H+](CC3CC3)C4)[nH+]c12 ZINC001164768980 721280629 /nfs/dbraw/zinc/28/06/29/721280629.db2.gz MSXLNNVYXASMCJ-UHFFFAOYSA-N 2 2 321.468 3.774 20 0 DHADLP Cc1cccc2c(C)cc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)[nH+]c12 ZINC001164768980 721280633 /nfs/dbraw/zinc/28/06/33/721280633.db2.gz MSXLNNVYXASMCJ-UHFFFAOYSA-N 2 2 321.468 3.774 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C[N@@H+]1C1CC1 ZINC000120712868 1013337035 /nfs/dbraw/zinc/33/70/35/1013337035.db2.gz VEECMHCVSYLMSQ-DOMZBBRYSA-N 2 2 317.864 3.579 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C[N@H+]1C1CC1 ZINC000120712868 1013337044 /nfs/dbraw/zinc/33/70/44/1013337044.db2.gz VEECMHCVSYLMSQ-DOMZBBRYSA-N 2 2 317.864 3.579 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]CCCCNc1cccc[nH+]1 ZINC000187940505 1013526250 /nfs/dbraw/zinc/52/62/50/1013526250.db2.gz QBDZLCUCJATOFI-HNNXBMFYSA-N 2 2 301.409 3.634 20 0 DHADLP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccs1 ZINC000655701967 1013654854 /nfs/dbraw/zinc/65/48/54/1013654854.db2.gz YCGNQPQZMZSBFU-SJORKVTESA-N 2 2 322.518 3.678 20 0 DHADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655708989 1013656015 /nfs/dbraw/zinc/65/60/15/1013656015.db2.gz RCMRFTXYARJSDD-RBUKOAKNSA-N 2 2 308.510 3.578 20 0 DHADLP CC(C)CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000655715541 1013659738 /nfs/dbraw/zinc/65/97/38/1013659738.db2.gz LOQBNKMEVMZSSE-QZTJIDSGSA-N 2 2 310.526 3.680 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000655721150 1013664828 /nfs/dbraw/zinc/66/48/28/1013664828.db2.gz LRUAYDATESWTAY-RDTXWAMCSA-N 2 2 321.428 3.563 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cc(Cl)ccc12 ZINC001141590605 1013707301 /nfs/dbraw/zinc/70/73/01/1013707301.db2.gz GTOFTCLNVYURBS-UHFFFAOYSA-N 2 2 302.809 3.540 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cc(Cl)ccc12 ZINC001141590605 1013707304 /nfs/dbraw/zinc/70/73/04/1013707304.db2.gz GTOFTCLNVYURBS-UHFFFAOYSA-N 2 2 302.809 3.540 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000655850509 1013776721 /nfs/dbraw/zinc/77/67/21/1013776721.db2.gz WEZYOEJGRGWOSG-RRQGHBQHSA-N 2 2 306.425 3.502 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000655850509 1013776730 /nfs/dbraw/zinc/77/67/30/1013776730.db2.gz WEZYOEJGRGWOSG-RRQGHBQHSA-N 2 2 306.425 3.502 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCC(F)(F)CC1 ZINC000655848539 1013773546 /nfs/dbraw/zinc/77/35/46/1013773546.db2.gz HMFNVRFDNSPFSK-BPUTZDHNSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCC(F)(F)CC1 ZINC000655848539 1013773553 /nfs/dbraw/zinc/77/35/53/1013773553.db2.gz HMFNVRFDNSPFSK-BPUTZDHNSA-N 2 2 300.437 3.807 20 0 DHADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1SC ZINC000655855990 1013786106 /nfs/dbraw/zinc/78/61/06/1013786106.db2.gz KFESMLNUPFMZKW-HZPDHXFCSA-N 2 2 320.502 3.524 20 0 DHADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1SC ZINC000655855990 1013786112 /nfs/dbraw/zinc/78/61/12/1013786112.db2.gz KFESMLNUPFMZKW-HZPDHXFCSA-N 2 2 320.502 3.524 20 0 DHADLP CCc1noc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000340441397 1013795680 /nfs/dbraw/zinc/79/56/80/1013795680.db2.gz WLHGNNPBKMRMSX-RHSMWYFYSA-N 2 2 319.493 3.678 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000189141474 1013911120 /nfs/dbraw/zinc/91/11/20/1013911120.db2.gz YSIFOFOKBSRQDS-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000189141474 1013911126 /nfs/dbraw/zinc/91/11/26/1013911126.db2.gz YSIFOFOKBSRQDS-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP CCOCC[N@H+](Cc1[nH]c(C)[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000931258449 1032081532 /nfs/dbraw/zinc/08/15/32/1032081532.db2.gz MAEKJSABKYJVDI-IBGZPJMESA-N 2 2 313.445 3.553 20 0 DHADLP CCOCC[N@@H+](Cc1[nH]c(C)[nH+]c1C)[C@H]1CCc2ccccc21 ZINC000931258449 1032081544 /nfs/dbraw/zinc/08/15/44/1032081544.db2.gz MAEKJSABKYJVDI-IBGZPJMESA-N 2 2 313.445 3.553 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCc1ccccc1O ZINC000361751489 1032082716 /nfs/dbraw/zinc/08/27/16/1032082716.db2.gz ROALIZBXNFLCNA-UHFFFAOYSA-N 2 2 321.424 3.561 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCc1ccccc1O ZINC000361751489 1032082728 /nfs/dbraw/zinc/08/27/28/1032082728.db2.gz ROALIZBXNFLCNA-UHFFFAOYSA-N 2 2 321.424 3.561 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000189294562 1014168309 /nfs/dbraw/zinc/16/83/09/1014168309.db2.gz LBNPCSYJCZNFGY-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000189294562 1014168317 /nfs/dbraw/zinc/16/83/17/1014168317.db2.gz LBNPCSYJCZNFGY-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2csc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000628183711 1028920318 /nfs/dbraw/zinc/92/03/18/1028920318.db2.gz KXNGZMLYGBYRML-JQWIXIFHSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2csc(C(F)(F)F)c2)CC[N@H+]1C ZINC000628183711 1028920332 /nfs/dbraw/zinc/92/03/32/1028920332.db2.gz KXNGZMLYGBYRML-JQWIXIFHSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)CC[NH+]1C ZINC000628183711 1028920348 /nfs/dbraw/zinc/92/03/48/1028920348.db2.gz KXNGZMLYGBYRML-JQWIXIFHSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)CC[NH+]1C ZINC000628183711 1028920366 /nfs/dbraw/zinc/92/03/66/1028920366.db2.gz KXNGZMLYGBYRML-JQWIXIFHSA-N 2 2 306.397 3.681 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261587448 1014314402 /nfs/dbraw/zinc/31/44/02/1014314402.db2.gz JKQMPFITILZOLX-NUEKZKHPSA-N 2 2 323.278 3.584 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261587448 1014314436 /nfs/dbraw/zinc/31/44/36/1014314436.db2.gz JKQMPFITILZOLX-NUEKZKHPSA-N 2 2 323.278 3.584 20 0 DHADLP CSc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC000895112823 1014447591 /nfs/dbraw/zinc/44/75/91/1014447591.db2.gz SCBWGXBTJMHYSZ-HDJSIYSDSA-N 2 2 317.458 3.673 20 0 DHADLP c1[nH+]c([C@H]2CCC[N@@H+](CC3CCSCC3)C2)n2c1CCCC2 ZINC000639158419 1014512135 /nfs/dbraw/zinc/51/21/35/1014512135.db2.gz UCCFONDQNUXAGB-INIZCTEOSA-N 2 2 319.518 3.542 20 0 DHADLP c1[nH+]c([C@H]2CCC[N@H+](CC3CCSCC3)C2)n2c1CCCC2 ZINC000639158419 1014512143 /nfs/dbraw/zinc/51/21/43/1014512143.db2.gz UCCFONDQNUXAGB-INIZCTEOSA-N 2 2 319.518 3.542 20 0 DHADLP Clc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000427881578 1014547835 /nfs/dbraw/zinc/54/78/35/1014547835.db2.gz ZTXRTCBLIZVZEO-WBVHZDCISA-N 2 2 301.821 3.592 20 0 DHADLP Clc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000427881575 1014548135 /nfs/dbraw/zinc/54/81/35/1014548135.db2.gz ZTXRTCBLIZVZEO-DOTOQJQBSA-N 2 2 301.821 3.592 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000427890399 1014549749 /nfs/dbraw/zinc/54/97/49/1014549749.db2.gz JCDQPMCYPGXDPD-WDEREUQCSA-N 2 2 310.228 3.856 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000442785361 1014731817 /nfs/dbraw/zinc/73/18/17/1014731817.db2.gz UAAQHJFNNKPOQG-UKRRQHHQSA-N 2 2 315.486 3.542 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000442785361 1014731828 /nfs/dbraw/zinc/73/18/28/1014731828.db2.gz UAAQHJFNNKPOQG-UKRRQHHQSA-N 2 2 315.486 3.542 20 0 DHADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1sccc1Br ZINC000581423326 1014845074 /nfs/dbraw/zinc/84/50/74/1014845074.db2.gz BICWRICKXIMTGD-JTQLQIEISA-N 2 2 305.285 3.549 20 0 DHADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1F ZINC000692314022 1014860903 /nfs/dbraw/zinc/86/09/03/1014860903.db2.gz MBYWHBNEAMCETC-SECBINFHSA-N 2 2 302.180 3.680 20 0 DHADLP Cc1ccc(SCC[N@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000341129793 1014921517 /nfs/dbraw/zinc/92/15/17/1014921517.db2.gz QVTDWIGRZFVDFF-UHFFFAOYSA-N 2 2 303.475 3.614 20 0 DHADLP Cc1ccc(SCC[N@@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000341129793 1014921529 /nfs/dbraw/zinc/92/15/29/1014921529.db2.gz QVTDWIGRZFVDFF-UHFFFAOYSA-N 2 2 303.475 3.614 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc3c2OCC3)C[C@H]1C ZINC000341142967 1014927410 /nfs/dbraw/zinc/92/74/10/1014927410.db2.gz UOVPJMVUVBIBQL-DYVFJYSZSA-N 2 2 322.880 3.580 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc3c2OCC3)C[C@H]1C ZINC000341142967 1014927417 /nfs/dbraw/zinc/92/74/17/1014927417.db2.gz UOVPJMVUVBIBQL-DYVFJYSZSA-N 2 2 322.880 3.580 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc3c2OCC3)C[C@H]1C ZINC000341142967 1014927425 /nfs/dbraw/zinc/92/74/25/1014927425.db2.gz UOVPJMVUVBIBQL-DYVFJYSZSA-N 2 2 322.880 3.580 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc3c2OCC3)C[C@H]1C ZINC000341142967 1014927433 /nfs/dbraw/zinc/92/74/33/1014927433.db2.gz UOVPJMVUVBIBQL-DYVFJYSZSA-N 2 2 322.880 3.580 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccn1 ZINC000647166840 1015039456 /nfs/dbraw/zinc/03/94/56/1015039456.db2.gz GHBPFJLDYARHGC-IEBWSBKVSA-N 2 2 321.468 3.929 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccn1 ZINC000647166840 1015039463 /nfs/dbraw/zinc/03/94/63/1015039463.db2.gz GHBPFJLDYARHGC-IEBWSBKVSA-N 2 2 321.468 3.929 20 0 DHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC2(CC(F)C2)C1 ZINC000656694452 1015079167 /nfs/dbraw/zinc/07/91/67/1015079167.db2.gz QUJKZHXMOQWQOO-UHFFFAOYSA-N 2 2 304.453 3.579 20 0 DHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC2(CC(F)C2)C1 ZINC000656694452 1015079178 /nfs/dbraw/zinc/07/91/78/1015079178.db2.gz QUJKZHXMOQWQOO-UHFFFAOYSA-N 2 2 304.453 3.579 20 0 DHADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000656790183 1015159362 /nfs/dbraw/zinc/15/93/62/1015159362.db2.gz OWTHCMPGXTYCDV-FSPWUOQZSA-N 2 2 318.461 3.554 20 0 DHADLP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000684377886 1015206098 /nfs/dbraw/zinc/20/60/98/1015206098.db2.gz GLPGDWJMVJNFNQ-BPQIPLTHSA-N 2 2 304.478 3.663 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000573387035 1015385329 /nfs/dbraw/zinc/38/53/29/1015385329.db2.gz YJQBGKHBHNWKPO-SOUVJXGZSA-N 2 2 306.416 3.818 20 0 DHADLP c1c2ccccc2[nH]c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896195692 1015497493 /nfs/dbraw/zinc/49/74/93/1015497493.db2.gz NVDPWRPIIWKDSR-UHFFFAOYSA-N 2 2 306.413 3.639 20 0 DHADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000474705629 1015555914 /nfs/dbraw/zinc/55/59/14/1015555914.db2.gz FEYVCRWCGULEFZ-WDSOQIARSA-N 2 2 318.505 3.911 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)[nH]1 ZINC000276733776 1015578289 /nfs/dbraw/zinc/57/82/89/1015578289.db2.gz HQUZJWNLXHIPNT-QGZVFWFLSA-N 2 2 311.429 3.578 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)[nH]1 ZINC000276733776 1015578297 /nfs/dbraw/zinc/57/82/97/1015578297.db2.gz HQUZJWNLXHIPNT-QGZVFWFLSA-N 2 2 311.429 3.578 20 0 DHADLP C[C@H]1CC([N@@H+]2CCOC(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041833 1015605822 /nfs/dbraw/zinc/60/58/22/1015605822.db2.gz VZGDILUZSHMTFH-IRXDYDNUSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@H]1CC([N@H+]2CCOC(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041833 1015605825 /nfs/dbraw/zinc/60/58/25/1015605825.db2.gz VZGDILUZSHMTFH-IRXDYDNUSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168042601 1015628064 /nfs/dbraw/zinc/62/80/64/1015628064.db2.gz ZYLOZTFUHFEPRA-RMFSNUHRSA-N 2 2 323.484 3.955 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168042601 1015628073 /nfs/dbraw/zinc/62/80/73/1015628073.db2.gz ZYLOZTFUHFEPRA-RMFSNUHRSA-N 2 2 323.484 3.955 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042601 1015628080 /nfs/dbraw/zinc/62/80/80/1015628080.db2.gz ZYLOZTFUHFEPRA-RMFSNUHRSA-N 2 2 323.484 3.955 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042601 1015628087 /nfs/dbraw/zinc/62/80/87/1015628087.db2.gz ZYLOZTFUHFEPRA-RMFSNUHRSA-N 2 2 323.484 3.955 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]CCc1cccc(Cl)c1)c1cccnc1 ZINC000896724202 1015714812 /nfs/dbraw/zinc/71/48/12/1015714812.db2.gz VRGQKKJTKFLFND-GOSISDBHSA-N 2 2 317.864 3.560 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000443856158 1015774045 /nfs/dbraw/zinc/77/40/45/1015774045.db2.gz RKLUXFRJUWTSCG-CZUORRHYSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000443856158 1015774049 /nfs/dbraw/zinc/77/40/49/1015774049.db2.gz RKLUXFRJUWTSCG-CZUORRHYSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000443856158 1015774054 /nfs/dbraw/zinc/77/40/54/1015774054.db2.gz RKLUXFRJUWTSCG-CZUORRHYSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000443856158 1015774070 /nfs/dbraw/zinc/77/40/70/1015774070.db2.gz RKLUXFRJUWTSCG-CZUORRHYSA-N 2 2 312.379 3.540 20 0 DHADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000639987093 1015781533 /nfs/dbraw/zinc/78/15/33/1015781533.db2.gz WIYDSTKCUKORLV-UHFFFAOYSA-N 2 2 301.478 3.539 20 0 DHADLP c1cn(-c2ccccc2C[NH2+][C@H](c2cccnc2)C2CCC2)c[nH+]1 ZINC000280917269 1015809258 /nfs/dbraw/zinc/80/92/58/1015809258.db2.gz QVHZAYJTVCYJSD-FQEVSTJZSA-N 2 2 318.424 3.898 20 0 DHADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341915642 1015842272 /nfs/dbraw/zinc/84/22/72/1015842272.db2.gz WXNHHFAALARJNW-MISYRCLQSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341915642 1015842277 /nfs/dbraw/zinc/84/22/77/1015842277.db2.gz WXNHHFAALARJNW-MISYRCLQSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341915642 1015842281 /nfs/dbraw/zinc/84/22/81/1015842281.db2.gz WXNHHFAALARJNW-MISYRCLQSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341915642 1015842287 /nfs/dbraw/zinc/84/22/87/1015842287.db2.gz WXNHHFAALARJNW-MISYRCLQSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000151351819 1016037322 /nfs/dbraw/zinc/03/73/22/1016037322.db2.gz RHLZSXUNLPUBHS-HNNXBMFYSA-N 2 2 309.388 3.921 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000346641299 1016492128 /nfs/dbraw/zinc/49/21/28/1016492128.db2.gz LREKRGQLXCTXET-NXEZZACHSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000346641299 1016492136 /nfs/dbraw/zinc/49/21/36/1016492136.db2.gz LREKRGQLXCTXET-NXEZZACHSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H](CC[NH2+]Cc1cnc(C(F)(F)F)s1)[NH+]1CCCCC1 ZINC000444000222 1016572912 /nfs/dbraw/zinc/57/29/12/1016572912.db2.gz GHAZVMNXWWKVQQ-LLVKDONJSA-N 2 2 321.412 3.516 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346972398 1016664320 /nfs/dbraw/zinc/66/43/20/1016664320.db2.gz HUHCKIIQUHKFRF-FQEVSTJZSA-N 2 2 318.424 3.913 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346972398 1016664324 /nfs/dbraw/zinc/66/43/24/1016664324.db2.gz HUHCKIIQUHKFRF-FQEVSTJZSA-N 2 2 318.424 3.913 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339069620 1016790044 /nfs/dbraw/zinc/79/00/44/1016790044.db2.gz YHNDYKGCUINGMF-RLLQIKCJSA-N 2 2 316.489 3.618 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339069620 1016790058 /nfs/dbraw/zinc/79/00/58/1016790058.db2.gz YHNDYKGCUINGMF-RLLQIKCJSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)s1 ZINC000152743573 1016984662 /nfs/dbraw/zinc/98/46/62/1016984662.db2.gz VHZFEMNBNGGLDR-ZDUSSCGKSA-N 2 2 303.475 3.791 20 0 DHADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(F)ccc1F ZINC000152758139 1016990171 /nfs/dbraw/zinc/99/01/71/1016990171.db2.gz AJDWCVFOXDXXOZ-QGZVFWFLSA-N 2 2 319.399 3.781 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)CCC2 ZINC000152756921 1016990446 /nfs/dbraw/zinc/99/04/46/1016990446.db2.gz FVBCISICXCVEJE-OAHLLOKOSA-N 2 2 309.457 3.601 20 0 DHADLP CCOc1ccccc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152812727 1017023217 /nfs/dbraw/zinc/02/32/17/1017023217.db2.gz SYJRILGVXCZBOR-HNNXBMFYSA-N 2 2 313.445 3.511 20 0 DHADLP c1c(CC[NH2+][C@H]2CCCCc3ccccc32)[nH+]c2n1CCCC2 ZINC000152806097 1017026848 /nfs/dbraw/zinc/02/68/48/1017026848.db2.gz SDLRHULFXFYQRV-IBGZPJMESA-N 2 2 309.457 3.819 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cccc2n[nH]cc21)c1ccccc1 ZINC000623418918 1017034227 /nfs/dbraw/zinc/03/42/27/1017034227.db2.gz LDJKPKKVRSESIK-OAHLLOKOSA-N 2 2 322.456 3.782 20 0 DHADLP COC1CCC(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000361927428 1032158589 /nfs/dbraw/zinc/15/85/89/1032158589.db2.gz MPJCAVDGSAGSAI-MDCZIUGASA-N 2 2 313.445 3.728 20 0 DHADLP Fc1ccc(SCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000361943117 1032164663 /nfs/dbraw/zinc/16/46/63/1032164663.db2.gz JTSBWAVKIIZSTO-ZDUSSCGKSA-N 2 2 305.422 3.521 20 0 DHADLP Fc1ccc(SCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000361943117 1032164667 /nfs/dbraw/zinc/16/46/67/1032164667.db2.gz JTSBWAVKIIZSTO-ZDUSSCGKSA-N 2 2 305.422 3.521 20 0 DHADLP CCC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(OC)cc1 ZINC000361967382 1032175966 /nfs/dbraw/zinc/17/59/66/1032175966.db2.gz SSYBDTFHLQTEAS-MSOLQXFVSA-N 2 2 322.518 3.563 20 0 DHADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000294889976 1032197227 /nfs/dbraw/zinc/19/72/27/1032197227.db2.gz YIXHLSSUQBNKEJ-OALUTQOASA-N 2 2 314.473 3.515 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC(OC(C)(C)C)C1 ZINC001171287063 1032250968 /nfs/dbraw/zinc/25/09/68/1032250968.db2.gz ORFUGUYSEGFTMB-UHFFFAOYSA-N 2 2 313.445 3.650 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC(OC(C)(C)C)C1 ZINC001171287063 1032250984 /nfs/dbraw/zinc/25/09/84/1032250984.db2.gz ORFUGUYSEGFTMB-UHFFFAOYSA-N 2 2 313.445 3.650 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCC2CC2)C[C@@H]1C ZINC000537616639 1032288587 /nfs/dbraw/zinc/28/85/87/1032288587.db2.gz UMDPWVYEXHOCGH-LPHOPBHVSA-N 2 2 316.489 3.780 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCC2CC2)C[C@@H]1C ZINC000537616639 1032288595 /nfs/dbraw/zinc/28/85/95/1032288595.db2.gz UMDPWVYEXHOCGH-LPHOPBHVSA-N 2 2 316.489 3.780 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OCC2CC2)C[C@@H]1C ZINC000537616639 1032288606 /nfs/dbraw/zinc/28/86/06/1032288606.db2.gz UMDPWVYEXHOCGH-LPHOPBHVSA-N 2 2 316.489 3.780 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OCC2CC2)C[C@@H]1C ZINC000537616639 1032288618 /nfs/dbraw/zinc/28/86/18/1032288618.db2.gz UMDPWVYEXHOCGH-LPHOPBHVSA-N 2 2 316.489 3.780 20 0 DHADLP [NH3+]CCc1[nH+]ccn1C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168337995 1032378690 /nfs/dbraw/zinc/37/86/90/1032378690.db2.gz UZWJUIBVDNXILV-UHFFFAOYSA-N 2 2 303.837 3.937 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059699 1017085265 /nfs/dbraw/zinc/08/52/65/1017085265.db2.gz GLBCKCOFBCMNOO-STEXWYFWSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059699 1017085273 /nfs/dbraw/zinc/08/52/73/1017085273.db2.gz GLBCKCOFBCMNOO-STEXWYFWSA-N 2 2 316.489 3.537 20 0 DHADLP C[N@@H+](Cc1cnc(C2CCCC2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253505 1032484510 /nfs/dbraw/zinc/48/45/10/1032484510.db2.gz XLPXZRDYXUGGHL-CQSZACIVSA-N 2 2 307.507 3.574 20 0 DHADLP C[N@H+](Cc1cnc(C2CCCC2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253505 1032484518 /nfs/dbraw/zinc/48/45/18/1032484518.db2.gz XLPXZRDYXUGGHL-CQSZACIVSA-N 2 2 307.507 3.574 20 0 DHADLP C[NH+](Cc1cnc(C2CCCC2)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253505 1032484525 /nfs/dbraw/zinc/48/45/25/1032484525.db2.gz XLPXZRDYXUGGHL-CQSZACIVSA-N 2 2 307.507 3.574 20 0 DHADLP C[NH+](Cc1cnc(C2CCCC2)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253505 1032484529 /nfs/dbraw/zinc/48/45/29/1032484529.db2.gz XLPXZRDYXUGGHL-CQSZACIVSA-N 2 2 307.507 3.574 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2cccnc2)cc1 ZINC000925144567 1017300549 /nfs/dbraw/zinc/30/05/49/1017300549.db2.gz UUVCQSHHENXWBT-VDGAXYAQSA-N 2 2 309.457 3.552 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccnc2)cc1 ZINC000925144567 1017300561 /nfs/dbraw/zinc/30/05/61/1017300561.db2.gz UUVCQSHHENXWBT-VDGAXYAQSA-N 2 2 309.457 3.552 20 0 DHADLP CC(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683405 1032549494 /nfs/dbraw/zinc/54/94/94/1032549494.db2.gz LPZZMESFBZTGJJ-HNNXBMFYSA-N 2 2 307.507 3.574 20 0 DHADLP CC(C)c1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683405 1032549501 /nfs/dbraw/zinc/54/95/01/1032549501.db2.gz LPZZMESFBZTGJJ-HNNXBMFYSA-N 2 2 307.507 3.574 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000093693988 1032551364 /nfs/dbraw/zinc/55/13/64/1032551364.db2.gz KTQHSBLNFZBDFD-OAHLLOKOSA-N 2 2 309.523 3.505 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000093693988 1032551376 /nfs/dbraw/zinc/55/13/76/1032551376.db2.gz KTQHSBLNFZBDFD-OAHLLOKOSA-N 2 2 309.523 3.505 20 0 DHADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001172848030 1033417611 /nfs/dbraw/zinc/41/76/11/1033417611.db2.gz OZXFLUGUZCXGKH-OLZOCXBDSA-N 2 2 310.844 3.627 20 0 DHADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001172848030 1033417621 /nfs/dbraw/zinc/41/76/21/1033417621.db2.gz OZXFLUGUZCXGKH-OLZOCXBDSA-N 2 2 310.844 3.627 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000424299540 1011964591 /nfs/dbraw/zinc/96/45/91/1011964591.db2.gz JFYYCNSFTDOSQJ-ZDUSSCGKSA-N 2 2 310.869 3.872 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1Br ZINC000643546010 1012091452 /nfs/dbraw/zinc/09/14/52/1012091452.db2.gz HAJUQYIBZOJHGZ-QWHCGFSZSA-N 2 2 323.278 3.774 20 0 DHADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001206768000 1012224707 /nfs/dbraw/zinc/22/47/07/1012224707.db2.gz GPQGUGNGSVDHIG-VHSXEESVSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001206768000 1012224722 /nfs/dbraw/zinc/22/47/22/1012224722.db2.gz GPQGUGNGSVDHIG-VHSXEESVSA-N 2 2 322.321 3.543 20 0 DHADLP CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000348041449 1012386403 /nfs/dbraw/zinc/38/64/03/1012386403.db2.gz NJQWQOBVJQQGJU-HZPDHXFCSA-N 2 2 314.477 3.562 20 0 DHADLP Cc1cc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C)CC2)c2ccccc2n1 ZINC000366621268 1012395924 /nfs/dbraw/zinc/39/59/24/1012395924.db2.gz UUHWTVDWROFLCR-KRWDZBQOSA-N 2 2 323.484 3.992 20 0 DHADLP Cc1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C)CC2)c2ccccc2n1 ZINC000366621268 1012395938 /nfs/dbraw/zinc/39/59/38/1012395938.db2.gz UUHWTVDWROFLCR-KRWDZBQOSA-N 2 2 323.484 3.992 20 0 DHADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCc3c(F)cccc3C2)c1 ZINC001171417828 1032625172 /nfs/dbraw/zinc/62/51/72/1032625172.db2.gz FUEWPPZMDKNCDP-QGZVFWFLSA-N 2 2 321.399 3.878 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)s1 ZINC000514817867 1012457208 /nfs/dbraw/zinc/45/72/08/1012457208.db2.gz KGZBIGLKPMLNJJ-UHFFFAOYSA-N 2 2 319.312 3.674 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Br)s1 ZINC000514817867 1012457215 /nfs/dbraw/zinc/45/72/15/1012457215.db2.gz KGZBIGLKPMLNJJ-UHFFFAOYSA-N 2 2 319.312 3.674 20 0 DHADLP CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000515711944 1012705604 /nfs/dbraw/zinc/70/56/04/1012705604.db2.gz HCKPOJPJDOQZGV-KRWDZBQOSA-N 2 2 312.442 3.912 20 0 DHADLP CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000515711944 1012705614 /nfs/dbraw/zinc/70/56/14/1012705614.db2.gz HCKPOJPJDOQZGV-KRWDZBQOSA-N 2 2 312.442 3.912 20 0 DHADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000517202832 1012931501 /nfs/dbraw/zinc/93/15/01/1012931501.db2.gz AITQYWCQDQEFKG-UHFFFAOYSA-N 2 2 308.775 3.742 20 0 DHADLP CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154669419 1012925157 /nfs/dbraw/zinc/92/51/57/1012925157.db2.gz OBHWBBPXYBGPFU-DLBZAZTESA-N 2 2 315.461 3.568 20 0 DHADLP C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000517202832 1012931492 /nfs/dbraw/zinc/93/14/92/1012931492.db2.gz AITQYWCQDQEFKG-UHFFFAOYSA-N 2 2 308.775 3.742 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037320332 1013007492 /nfs/dbraw/zinc/00/74/92/1013007492.db2.gz QOXVMZKMRVFUHP-SMDDNHRTSA-N 2 2 307.850 3.752 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](CCCc2c(F)cccc2Cl)CC1 ZINC000517674664 1013040637 /nfs/dbraw/zinc/04/06/37/1013040637.db2.gz KUTMEXAMGRDAOF-CQSZACIVSA-N 2 2 312.860 3.828 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)CC1 ZINC000517674664 1013040652 /nfs/dbraw/zinc/04/06/52/1013040652.db2.gz KUTMEXAMGRDAOF-CQSZACIVSA-N 2 2 312.860 3.828 20 0 DHADLP CCc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000177742931 1017115975 /nfs/dbraw/zinc/11/59/75/1017115975.db2.gz HSUGIXBRDMEDDN-UHFFFAOYSA-N 2 2 312.457 3.639 20 0 DHADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000623657442 1017155682 /nfs/dbraw/zinc/15/56/82/1017155682.db2.gz QWDGKVTVGZFOCW-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000623657442 1017155690 /nfs/dbraw/zinc/15/56/90/1017155690.db2.gz QWDGKVTVGZFOCW-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000342759904 1017179910 /nfs/dbraw/zinc/17/99/10/1017179910.db2.gz YMKHGIVCMIBTQB-BBRMVZONSA-N 2 2 301.821 3.930 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000342759904 1017179922 /nfs/dbraw/zinc/17/99/22/1017179922.db2.gz YMKHGIVCMIBTQB-BBRMVZONSA-N 2 2 301.821 3.930 20 0 DHADLP CC[C@@H]1COCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063275 1017194006 /nfs/dbraw/zinc/19/40/06/1017194006.db2.gz MOUAUPFXSBCAGT-PIKOESSRSA-N 2 2 316.489 3.539 20 0 DHADLP CC[C@@H]1COCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063275 1017194011 /nfs/dbraw/zinc/19/40/11/1017194011.db2.gz MOUAUPFXSBCAGT-PIKOESSRSA-N 2 2 316.489 3.539 20 0 DHADLP CC[C@@H]1COCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063275 1017194019 /nfs/dbraw/zinc/19/40/19/1017194019.db2.gz MOUAUPFXSBCAGT-PIKOESSRSA-N 2 2 316.489 3.539 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3s2)CC1 ZINC000020553274 1032697700 /nfs/dbraw/zinc/69/77/00/1032697700.db2.gz IKUAGQHRDQDSFX-CYBMUJFWSA-N 2 2 303.475 3.820 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000657563385 1017407138 /nfs/dbraw/zinc/40/71/38/1017407138.db2.gz NTHUMRKQFZMCGR-NJAFHUGGSA-N 2 2 301.478 3.570 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000657563385 1017407147 /nfs/dbraw/zinc/40/71/47/1017407147.db2.gz NTHUMRKQFZMCGR-NJAFHUGGSA-N 2 2 301.478 3.570 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCCCO1 ZINC000623894639 1017560871 /nfs/dbraw/zinc/56/08/71/1017560871.db2.gz ZJYLLAPSVNYERV-LZLYRXPVSA-N 2 2 304.478 3.663 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000857905439 1032710350 /nfs/dbraw/zinc/71/03/50/1032710350.db2.gz GIWZAGZAXXPLEB-CQSZACIVSA-N 2 2 307.869 3.575 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624078084 1017671905 /nfs/dbraw/zinc/67/19/05/1017671905.db2.gz PJTMDQFGLOZPQQ-YLJYHZDGSA-N 2 2 315.505 3.789 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624078084 1017671912 /nfs/dbraw/zinc/67/19/12/1017671912.db2.gz PJTMDQFGLOZPQQ-YLJYHZDGSA-N 2 2 315.505 3.789 20 0 DHADLP CC1(C)CC([NH3+])CC(C)(C)N1c1[nH+]ccc2cc(F)ccc21 ZINC001167625521 1017714113 /nfs/dbraw/zinc/71/41/13/1017714113.db2.gz KPQWWUUQAWNTPA-UHFFFAOYSA-N 2 2 301.409 3.859 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1Oc1cccnc1 ZINC000181078167 1017721912 /nfs/dbraw/zinc/72/19/12/1017721912.db2.gz CNYKPJHOHCDGLC-UHFFFAOYSA-N 2 2 322.412 3.593 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1Oc1cccnc1 ZINC000181078167 1017721922 /nfs/dbraw/zinc/72/19/22/1017721922.db2.gz CNYKPJHOHCDGLC-UHFFFAOYSA-N 2 2 322.412 3.593 20 0 DHADLP CCOc1ccccc1[C@H](CC(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000181260447 1017737082 /nfs/dbraw/zinc/73/70/82/1017737082.db2.gz DNFBWXCHIGQCDH-KRWDZBQOSA-N 2 2 301.434 3.659 20 0 DHADLP CCC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCOCC1 ZINC001203407540 1017741392 /nfs/dbraw/zinc/74/13/92/1017741392.db2.gz BCFMTCTWBCNMAZ-SFHVURJKSA-N 2 2 308.510 3.580 20 0 DHADLP CCC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCOCC1 ZINC001203407540 1017741411 /nfs/dbraw/zinc/74/14/11/1017741411.db2.gz BCFMTCTWBCNMAZ-SFHVURJKSA-N 2 2 308.510 3.580 20 0 DHADLP Cc1ccncc1C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000354599556 1017748341 /nfs/dbraw/zinc/74/83/41/1017748341.db2.gz JVMPCGNOKHZUIT-FQEVSTJZSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1ccncc1C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000354599556 1017748354 /nfs/dbraw/zinc/74/83/54/1017748354.db2.gz JVMPCGNOKHZUIT-FQEVSTJZSA-N 2 2 309.457 3.534 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000658011591 1017911726 /nfs/dbraw/zinc/91/17/26/1017911726.db2.gz GMAQHQBJFLADTO-HIFRSBDPSA-N 2 2 303.475 3.821 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000658011591 1017911738 /nfs/dbraw/zinc/91/17/38/1017911738.db2.gz GMAQHQBJFLADTO-HIFRSBDPSA-N 2 2 303.475 3.821 20 0 DHADLP C[NH+](C)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000171234280 1017913017 /nfs/dbraw/zinc/91/30/17/1017913017.db2.gz BHWPQJNHLDTZAM-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000459379037 1017981937 /nfs/dbraw/zinc/98/19/37/1017981937.db2.gz ORXJAYLUCHZLDW-UHFFFAOYSA-N 2 2 320.440 3.542 20 0 DHADLP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000459379037 1017981941 /nfs/dbraw/zinc/98/19/41/1017981941.db2.gz ORXJAYLUCHZLDW-UHFFFAOYSA-N 2 2 320.440 3.542 20 0 DHADLP CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)OC ZINC000362975561 1017996947 /nfs/dbraw/zinc/99/69/47/1017996947.db2.gz GAHIWXHRACYQMP-MPGHIAIKSA-N 2 2 301.434 3.584 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000123742400 1018112329 /nfs/dbraw/zinc/11/23/29/1018112329.db2.gz CXEKKLCCUDMZRI-TZMCWYRMSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000123742400 1018112333 /nfs/dbraw/zinc/11/23/33/1018112333.db2.gz CXEKKLCCUDMZRI-TZMCWYRMSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123742400 1018112337 /nfs/dbraw/zinc/11/23/37/1018112337.db2.gz CXEKKLCCUDMZRI-TZMCWYRMSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123742400 1018112341 /nfs/dbraw/zinc/11/23/41/1018112341.db2.gz CXEKKLCCUDMZRI-TZMCWYRMSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccns1 ZINC000925180630 1018129534 /nfs/dbraw/zinc/12/95/34/1018129534.db2.gz RBLKPKFYVTVBGB-UKRRQHHQSA-N 2 2 312.442 3.511 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3ccc(Cl)cc31)CCC2 ZINC000343095394 1018159246 /nfs/dbraw/zinc/15/92/46/1018159246.db2.gz JNTYLNBTNSOZPZ-RHSMWYFYSA-N 2 2 315.848 3.999 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COCc3ccccc32)C[C@H]1c1ccccc1 ZINC000417357458 1018168095 /nfs/dbraw/zinc/16/80/95/1018168095.db2.gz GLOSPSKBMTYSER-TYPHKJRUSA-N 2 2 322.452 3.683 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2COCc3ccccc32)C[C@H]1c1ccccc1 ZINC000417357458 1018168100 /nfs/dbraw/zinc/16/81/00/1018168100.db2.gz GLOSPSKBMTYSER-TYPHKJRUSA-N 2 2 322.452 3.683 20 0 DHADLP C[C@@H](C[NH2+]CC(c1ccccc1)c1ccccc1)[N@H+](C)C1CC1 ZINC000323262900 1018183358 /nfs/dbraw/zinc/18/33/58/1018183358.db2.gz IWBNLMKLLYOYRA-KRWDZBQOSA-N 2 2 308.469 3.891 20 0 DHADLP C[C@@H](C[NH2+]CC(c1ccccc1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000323262900 1018183362 /nfs/dbraw/zinc/18/33/62/1018183362.db2.gz IWBNLMKLLYOYRA-KRWDZBQOSA-N 2 2 308.469 3.891 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000446757365 1018245569 /nfs/dbraw/zinc/24/55/69/1018245569.db2.gz SRSIRFQWXMCWJQ-WMLDXEAASA-N 2 2 320.502 3.696 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000446757365 1018245580 /nfs/dbraw/zinc/24/55/80/1018245580.db2.gz SRSIRFQWXMCWJQ-WMLDXEAASA-N 2 2 320.502 3.696 20 0 DHADLP COc1ccc([C@H](CCC(C)C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155642779 1018324551 /nfs/dbraw/zinc/32/45/51/1018324551.db2.gz COYQLYGKOKHDNL-SFHVURJKSA-N 2 2 301.434 3.659 20 0 DHADLP C[C@H]1CC[N@H+](CC[NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000675495613 1018508974 /nfs/dbraw/zinc/50/89/74/1018508974.db2.gz KHNWMANSJPVRMD-LPHOPBHVSA-N 2 2 301.478 3.634 20 0 DHADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000675495613 1018508982 /nfs/dbraw/zinc/50/89/82/1018508982.db2.gz KHNWMANSJPVRMD-LPHOPBHVSA-N 2 2 301.478 3.634 20 0 DHADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1Cl ZINC000858104514 1032770004 /nfs/dbraw/zinc/77/00/04/1032770004.db2.gz NHHZOVAHDUYDPT-MRXNPFEDSA-N 2 2 321.852 3.750 20 0 DHADLP C[C@H]1CCCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000583571956 1018570786 /nfs/dbraw/zinc/57/07/86/1018570786.db2.gz IELDMSYQSSNDLB-AZUAARDMSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@H]1CCCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000583571956 1018570796 /nfs/dbraw/zinc/57/07/96/1018570796.db2.gz IELDMSYQSSNDLB-AZUAARDMSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@H]1CCCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000583571956 1018570802 /nfs/dbraw/zinc/57/08/02/1018570802.db2.gz IELDMSYQSSNDLB-AZUAARDMSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@H]1CCCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000583571956 1018570811 /nfs/dbraw/zinc/57/08/11/1018570811.db2.gz IELDMSYQSSNDLB-AZUAARDMSA-N 2 2 316.489 3.542 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2nc3cc(Cl)ccc3s2)CC1 ZINC000675770999 1018586431 /nfs/dbraw/zinc/58/64/31/1018586431.db2.gz HFJTXLHOEPTEQJ-UHFFFAOYSA-N 2 2 323.893 3.914 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000858138331 1032776364 /nfs/dbraw/zinc/77/63/64/1032776364.db2.gz XCDLOJLSTFYUNA-CHWSQXEVSA-N 2 2 303.475 3.820 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000858138331 1032776376 /nfs/dbraw/zinc/77/63/76/1032776376.db2.gz XCDLOJLSTFYUNA-CHWSQXEVSA-N 2 2 303.475 3.820 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923697 1018625789 /nfs/dbraw/zinc/62/57/89/1018625789.db2.gz TUIWQGOUZSTYPW-VQIMIIECSA-N 2 2 323.440 3.908 20 0 DHADLP Cc1cccc2c1CC[C@H]([NH2+][C@H](C)C[NH+]1CCC(C)CC1)C2 ZINC001171558030 1032777511 /nfs/dbraw/zinc/77/75/11/1032777511.db2.gz ZUXCUVJXOUMLMC-MJGOQNOKSA-N 2 2 300.490 3.562 20 0 DHADLP Clc1cscc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000676414989 1018724704 /nfs/dbraw/zinc/72/47/04/1018724704.db2.gz BYSKIVWZKBHYHR-UHFFFAOYSA-N 2 2 317.845 3.936 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccnc1Cl ZINC000765252102 1018730977 /nfs/dbraw/zinc/73/09/77/1018730977.db2.gz QNXIPRYWZOXGJG-JSGCOSHPSA-N 2 2 306.841 3.697 20 0 DHADLP CSCC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000385889827 1018799081 /nfs/dbraw/zinc/79/90/81/1018799081.db2.gz YXYGESKGIMMISF-UHFFFAOYSA-N 2 2 315.486 3.884 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)ccc1F ZINC000125273880 1032789376 /nfs/dbraw/zinc/78/93/76/1032789376.db2.gz UFRXTIMIBHGMAH-HNNXBMFYSA-N 2 2 309.816 3.880 20 0 DHADLP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000657818231 1018850561 /nfs/dbraw/zinc/85/05/61/1018850561.db2.gz ANTJSTOWDIPGGJ-OAHLLOKOSA-N 2 2 311.351 3.513 20 0 DHADLP COc1ccc2c(c1)[nH+]ccc2N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000765525203 1018860324 /nfs/dbraw/zinc/86/03/24/1018860324.db2.gz KCWSUKDDWLNIJP-LIRRHRJNSA-N 2 2 322.412 3.527 20 0 DHADLP Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001171579033 1032790927 /nfs/dbraw/zinc/79/09/27/1032790927.db2.gz NDVQDYMXBJTXHJ-MOPGFXCFSA-N 2 2 322.452 3.709 20 0 DHADLP Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001171579033 1032790944 /nfs/dbraw/zinc/79/09/44/1032790944.db2.gz NDVQDYMXBJTXHJ-MOPGFXCFSA-N 2 2 322.452 3.709 20 0 DHADLP C[C@H]([NH2+]Cc1ccnn1C1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000921800601 1018867750 /nfs/dbraw/zinc/86/77/50/1018867750.db2.gz YHDFDIYTOVDHEQ-HNNXBMFYSA-N 2 2 321.428 3.645 20 0 DHADLP CC[C@H]1C[N@H+](Cc2nc3ccccc3c(C)c2Cl)CC[C@@H]1[NH3+] ZINC000316825765 1018870177 /nfs/dbraw/zinc/87/01/77/1018870177.db2.gz KXWFSSSCSFESLZ-ZFWWWQNUSA-N 2 2 317.864 3.756 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2nc3ccccc3c(C)c2Cl)CC[C@@H]1[NH3+] ZINC000316825765 1018870192 /nfs/dbraw/zinc/87/01/92/1018870192.db2.gz KXWFSSSCSFESLZ-ZFWWWQNUSA-N 2 2 317.864 3.756 20 0 DHADLP CC[C@H]1C[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@@H]1[NH3+] ZINC000316889705 1018871947 /nfs/dbraw/zinc/87/19/47/1018871947.db2.gz BBTGYSRLGFHYLL-LRDDRELGSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@@H]1[NH3+] ZINC000316889705 1018871963 /nfs/dbraw/zinc/87/19/63/1018871963.db2.gz BBTGYSRLGFHYLL-LRDDRELGSA-N 2 2 319.836 3.554 20 0 DHADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1Cl ZINC000666993750 1032791525 /nfs/dbraw/zinc/79/15/25/1032791525.db2.gz HCWLNMXZENDXKR-NSHDSACASA-N 2 2 317.235 3.897 20 0 DHADLP CC1(C)C[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C(C)(C)O1 ZINC000922949005 1018933266 /nfs/dbraw/zinc/93/32/66/1018933266.db2.gz OWFFTXACGNXENH-CYBMUJFWSA-N 2 2 319.474 3.617 20 0 DHADLP c1ccc(Oc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)nc1 ZINC000921536376 1018949955 /nfs/dbraw/zinc/94/99/55/1018949955.db2.gz FUMSOJHWEDGVLB-OALUTQOASA-N 2 2 323.440 3.590 20 0 DHADLP c1ccc(Oc2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)c2)nc1 ZINC000921536376 1018949966 /nfs/dbraw/zinc/94/99/66/1018949966.db2.gz FUMSOJHWEDGVLB-OALUTQOASA-N 2 2 323.440 3.590 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220672 1019026969 /nfs/dbraw/zinc/02/69/69/1019026969.db2.gz PPYGCOLFFZLQHM-WBMJQRKESA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220672 1019026981 /nfs/dbraw/zinc/02/69/81/1019026981.db2.gz PPYGCOLFFZLQHM-WBMJQRKESA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220672 1019026998 /nfs/dbraw/zinc/02/69/98/1019026998.db2.gz PPYGCOLFFZLQHM-WBMJQRKESA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220672 1019027014 /nfs/dbraw/zinc/02/70/14/1019027014.db2.gz PPYGCOLFFZLQHM-WBMJQRKESA-N 2 2 313.272 3.910 20 0 DHADLP c1csc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)c1 ZINC000386841829 1019027570 /nfs/dbraw/zinc/02/75/70/1019027570.db2.gz TYMVTXOYYJHEHL-SFHVURJKSA-N 2 2 313.470 3.853 20 0 DHADLP Cc1cc(NCc2cccc(C[NH+]3CCCC3)c2)nc(C(C)C)[nH+]1 ZINC000356741270 1019092518 /nfs/dbraw/zinc/09/25/18/1019092518.db2.gz HXHVEJJUNNYJKF-UHFFFAOYSA-N 2 2 324.472 4.116 20 0 DHADLP CC1(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCC1 ZINC000355291122 1019101591 /nfs/dbraw/zinc/10/15/91/1019101591.db2.gz MHDIRZZKIZQQDP-UHFFFAOYSA-N 2 2 304.400 3.572 20 0 DHADLP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000921589747 1019102558 /nfs/dbraw/zinc/10/25/58/1019102558.db2.gz PNKYEFMNXLCCFC-JKSUJKDBSA-N 2 2 301.459 3.636 20 0 DHADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080960599 1019133926 /nfs/dbraw/zinc/13/39/26/1019133926.db2.gz TYANMKNABPROQS-ZDUSSCGKSA-N 2 2 309.335 3.808 20 0 DHADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080960599 1019133936 /nfs/dbraw/zinc/13/39/36/1019133936.db2.gz TYANMKNABPROQS-ZDUSSCGKSA-N 2 2 309.335 3.808 20 0 DHADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2n1 ZINC000080974143 1019138171 /nfs/dbraw/zinc/13/81/71/1019138171.db2.gz GNOVXVWUVXYOPH-HNNXBMFYSA-N 2 2 306.413 3.646 20 0 DHADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2n1 ZINC000080974143 1019138180 /nfs/dbraw/zinc/13/81/80/1019138180.db2.gz GNOVXVWUVXYOPH-HNNXBMFYSA-N 2 2 306.413 3.646 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(F)cccc32)CC1 ZINC000157093588 1019213400 /nfs/dbraw/zinc/21/34/00/1019213400.db2.gz UUGWRXLZLHIGCI-QGZVFWFLSA-N 2 2 306.425 3.503 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081658200 1019216865 /nfs/dbraw/zinc/21/68/65/1019216865.db2.gz MQBZGESLKLYIRJ-DZGCQCFKSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081658200 1019216871 /nfs/dbraw/zinc/21/68/71/1019216871.db2.gz MQBZGESLKLYIRJ-DZGCQCFKSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081658200 1019216881 /nfs/dbraw/zinc/21/68/81/1019216881.db2.gz MQBZGESLKLYIRJ-DZGCQCFKSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081658200 1019216888 /nfs/dbraw/zinc/21/68/88/1019216888.db2.gz MQBZGESLKLYIRJ-DZGCQCFKSA-N 2 2 308.416 3.690 20 0 DHADLP Cc1ccc(CC[C@H](C)[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001171664968 1032819854 /nfs/dbraw/zinc/81/98/54/1032819854.db2.gz ILSRQVIPMRAFMB-UWJYYQICSA-N 2 2 308.469 3.702 20 0 DHADLP Cc1ccc(CC[C@H](C)[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001171664968 1032819870 /nfs/dbraw/zinc/81/98/70/1032819870.db2.gz ILSRQVIPMRAFMB-UWJYYQICSA-N 2 2 308.469 3.702 20 0 DHADLP Fc1ccccc1C1([NH2+]C2CC[NH+](CC3CC3)CC2)CCC1 ZINC000647333516 1019281083 /nfs/dbraw/zinc/28/10/83/1019281083.db2.gz TUIRTSLEEBXCOS-UHFFFAOYSA-N 2 2 302.437 3.669 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000921624287 1019292904 /nfs/dbraw/zinc/29/29/04/1019292904.db2.gz YHDJFFZGMIBEOM-UHFFFAOYSA-N 2 2 321.896 3.788 20 0 DHADLP Cc1ccc(CC[C@@H](C)N(c2cccc[nH+]2)C2CC[NH2+]CC2)cc1 ZINC001171681473 1032832348 /nfs/dbraw/zinc/83/23/48/1032832348.db2.gz JDSJOQGDGZTMFY-GOSISDBHSA-N 2 2 323.484 3.970 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091857294 1019493305 /nfs/dbraw/zinc/49/33/05/1019493305.db2.gz GNBGXBKIOMXNMT-UHFFFAOYSA-N 2 2 301.821 3.634 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091857294 1019493313 /nfs/dbraw/zinc/49/33/13/1019493313.db2.gz GNBGXBKIOMXNMT-UHFFFAOYSA-N 2 2 301.821 3.634 20 0 DHADLP Cc1c(Cl)ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1Cl ZINC000922140610 1019510284 /nfs/dbraw/zinc/51/02/84/1019510284.db2.gz WOOMZRAVMANSBY-LLVKDONJSA-N 2 2 310.228 3.672 20 0 DHADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000685568166 1019956726 /nfs/dbraw/zinc/95/67/26/1019956726.db2.gz HICQBXSTZBMJHJ-KRWDZBQOSA-N 2 2 319.880 3.757 20 0 DHADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000685568166 1019956734 /nfs/dbraw/zinc/95/67/34/1019956734.db2.gz HICQBXSTZBMJHJ-KRWDZBQOSA-N 2 2 319.880 3.757 20 0 DHADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)c1 ZINC000922334504 1020017792 /nfs/dbraw/zinc/01/77/92/1020017792.db2.gz BSAQFZKOYIGIOI-FQEVSTJZSA-N 2 2 321.424 3.731 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(-c2ccccc2)no1 ZINC000924524821 1020054715 /nfs/dbraw/zinc/05/47/15/1020054715.db2.gz CZEYPNGEODOGKQ-AWEZNQCLSA-N 2 2 301.434 3.580 20 0 DHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCSCC2)CCC1 ZINC000658029351 1020092327 /nfs/dbraw/zinc/09/23/27/1020092327.db2.gz ZODSGPJCFNAGQR-GOSISDBHSA-N 2 2 318.530 3.916 20 0 DHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCCSCC2)CCC1 ZINC000658029351 1020092338 /nfs/dbraw/zinc/09/23/38/1020092338.db2.gz ZODSGPJCFNAGQR-GOSISDBHSA-N 2 2 318.530 3.916 20 0 DHADLP COC1([C@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCC1 ZINC000658022944 1020094456 /nfs/dbraw/zinc/09/44/56/1020094456.db2.gz GJAAYICLCNPXOD-ZDUSSCGKSA-N 2 2 319.836 3.573 20 0 DHADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095310 1020141723 /nfs/dbraw/zinc/14/17/23/1020141723.db2.gz GKHNMIBNNXFJKI-YOEHRIQHSA-N 2 2 302.462 3.535 20 0 DHADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095310 1020141728 /nfs/dbraw/zinc/14/17/28/1020141728.db2.gz GKHNMIBNNXFJKI-YOEHRIQHSA-N 2 2 302.462 3.535 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H](c3ccccn3)C3CC3)c2)c[nH+]1 ZINC000922586107 1020146296 /nfs/dbraw/zinc/14/62/96/1020146296.db2.gz VTUPTIHJGRJKIU-QGZVFWFLSA-N 2 2 310.426 3.570 20 0 DHADLP Fc1cccc2c1C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC001171787016 1032884802 /nfs/dbraw/zinc/88/48/02/1032884802.db2.gz GDOZXEOJNYALJP-MOPGFXCFSA-N 2 2 324.443 3.547 20 0 DHADLP Fc1cccc2c1C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC001171787016 1032884821 /nfs/dbraw/zinc/88/48/21/1032884821.db2.gz GDOZXEOJNYALJP-MOPGFXCFSA-N 2 2 324.443 3.547 20 0 DHADLP CC[NH+](CC)C1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168733549 1020237348 /nfs/dbraw/zinc/23/73/48/1020237348.db2.gz BJBMGQBDFWNXQF-INIZCTEOSA-N 2 2 306.881 3.613 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658242550 1020254747 /nfs/dbraw/zinc/25/47/47/1020254747.db2.gz ZWVZJRPIMJAVJQ-VBKZILBWSA-N 2 2 319.408 3.916 20 0 DHADLP C[C@@H](CCC1CC1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000186360844 1020263348 /nfs/dbraw/zinc/26/33/48/1020263348.db2.gz HRSVYVBCNYIBHG-INIZCTEOSA-N 2 2 315.505 3.890 20 0 DHADLP CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000921645364 1020265512 /nfs/dbraw/zinc/26/55/12/1020265512.db2.gz STZTXQSTFTZZGR-QLFBSQMISA-N 2 2 321.534 3.759 20 0 DHADLP C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658282539 1020279558 /nfs/dbraw/zinc/27/95/58/1020279558.db2.gz HQRPOKPWCHJQIA-WFASDCNBSA-N 2 2 305.372 3.814 20 0 DHADLP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429006211 1020306540 /nfs/dbraw/zinc/30/65/40/1020306540.db2.gz NCJPNFHLRMZEEW-CZUORRHYSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429006211 1020306518 /nfs/dbraw/zinc/30/65/18/1020306518.db2.gz NCJPNFHLRMZEEW-CZUORRHYSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429006211 1020306530 /nfs/dbraw/zinc/30/65/30/1020306530.db2.gz NCJPNFHLRMZEEW-CZUORRHYSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429006211 1020306549 /nfs/dbraw/zinc/30/65/49/1020306549.db2.gz NCJPNFHLRMZEEW-CZUORRHYSA-N 2 2 323.278 3.538 20 0 DHADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc(C2CC2)o1 ZINC000628241193 1020365623 /nfs/dbraw/zinc/36/56/23/1020365623.db2.gz LVPKYJDJKAUERS-UHFFFAOYSA-N 2 2 305.466 3.686 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(O)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000625320248 1020474044 /nfs/dbraw/zinc/47/40/44/1020474044.db2.gz XHWGKSXGBZUYGS-KGLIPLIRSA-N 2 2 322.880 3.788 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(O)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000625320248 1020474054 /nfs/dbraw/zinc/47/40/54/1020474054.db2.gz XHWGKSXGBZUYGS-KGLIPLIRSA-N 2 2 322.880 3.788 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)oc1C ZINC000282446082 1020501711 /nfs/dbraw/zinc/50/17/11/1020501711.db2.gz ZQCXOZQJGHCXJY-ZDUSSCGKSA-N 2 2 310.401 3.636 20 0 DHADLP Fc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1F ZINC000673811505 1020501915 /nfs/dbraw/zinc/50/19/15/1020501915.db2.gz FHPXYIHVEBDOQZ-UHFFFAOYSA-N 2 2 308.416 3.852 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(F)cn2)cc1 ZINC000348092398 1020503044 /nfs/dbraw/zinc/50/30/44/1020503044.db2.gz OYIVVSOEBJLYCX-CYBMUJFWSA-N 2 2 310.376 3.566 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000353933965 1020577935 /nfs/dbraw/zinc/57/79/35/1020577935.db2.gz XJIKAHYONPBKSK-KBHBFKLGSA-N 2 2 303.372 3.618 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](C(C)(C)C)CC2)s1 ZINC000347871935 1020622657 /nfs/dbraw/zinc/62/26/57/1020622657.db2.gz TWTCQKVRRKTDNV-AWEZNQCLSA-N 2 2 309.523 3.853 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](C(C)(C)C)CC2)s1 ZINC000347871935 1020622663 /nfs/dbraw/zinc/62/26/63/1020622663.db2.gz TWTCQKVRRKTDNV-AWEZNQCLSA-N 2 2 309.523 3.853 20 0 DHADLP CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000735324395 1020719221 /nfs/dbraw/zinc/71/92/21/1020719221.db2.gz QZVWFOGDOHFPMD-CABCVRRESA-N 2 2 319.449 3.775 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001171958940 1032927704 /nfs/dbraw/zinc/92/77/04/1032927704.db2.gz LTZDOPOHLLMQSY-BBRMVZONSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001171958940 1032927708 /nfs/dbraw/zinc/92/77/08/1032927708.db2.gz LTZDOPOHLLMQSY-BBRMVZONSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001172884257 1033458542 /nfs/dbraw/zinc/45/85/42/1033458542.db2.gz ZVBUZIUFQFJKNC-CKEIUWERSA-N 2 2 324.921 3.847 20 0 DHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000628371417 1020946981 /nfs/dbraw/zinc/94/69/81/1020946981.db2.gz DYFSBDZPXRTHBL-CRAIPNDOSA-N 2 2 301.478 3.978 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000414196439 1020983783 /nfs/dbraw/zinc/98/37/83/1020983783.db2.gz OWOSFWDVPSBXKV-GDBMZVCRSA-N 2 2 318.427 3.819 20 0 DHADLP c1cc2c(s1)CCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000102196311 1021090126 /nfs/dbraw/zinc/09/01/26/1021090126.db2.gz BYVVMUCEVTZTGZ-MRXNPFEDSA-N 2 2 313.470 3.779 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccs3)CC2)cc1 ZINC000742377367 1021115485 /nfs/dbraw/zinc/11/54/85/1021115485.db2.gz BTIDRJWFDHXZJD-UHFFFAOYSA-N 2 2 315.486 3.573 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Br ZINC000250907764 1021195496 /nfs/dbraw/zinc/19/54/96/1021195496.db2.gz STAAGUMGELCJTA-MJBXVCDLSA-N 2 2 323.278 3.727 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Br ZINC000250907764 1021195499 /nfs/dbraw/zinc/19/54/99/1021195499.db2.gz STAAGUMGELCJTA-MJBXVCDLSA-N 2 2 323.278 3.727 20 0 DHADLP CC1(C)CC2(CO1)CCC([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC001202289894 1021204585 /nfs/dbraw/zinc/20/45/85/1021204585.db2.gz WBVYWXSVGQFLEM-KGXSXCIVSA-N 2 2 320.521 3.721 20 0 DHADLP CC1(C)CC2(CO1)CCC([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC2 ZINC001202289894 1021204590 /nfs/dbraw/zinc/20/45/90/1021204590.db2.gz WBVYWXSVGQFLEM-KGXSXCIVSA-N 2 2 320.521 3.721 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000090772330 1021247584 /nfs/dbraw/zinc/24/75/84/1021247584.db2.gz IYULUPQUYCUGAF-CZUORRHYSA-N 2 2 310.869 3.559 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000090772330 1021247587 /nfs/dbraw/zinc/24/75/87/1021247587.db2.gz IYULUPQUYCUGAF-CZUORRHYSA-N 2 2 310.869 3.559 20 0 DHADLP CC1(C)C[C@H]([N@H+]2CCOCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC001171983987 1032965348 /nfs/dbraw/zinc/96/53/48/1032965348.db2.gz HORCBTBLXMLRKU-GOSISDBHSA-N 2 2 316.489 3.540 20 0 DHADLP CC1(C)C[C@H]([N@@H+]2CCOCC2(C)C)CC[NH+]1Cc1ccccc1 ZINC001171983987 1032965359 /nfs/dbraw/zinc/96/53/59/1032965359.db2.gz HORCBTBLXMLRKU-GOSISDBHSA-N 2 2 316.489 3.540 20 0 DHADLP CC1(C)COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983987 1032965367 /nfs/dbraw/zinc/96/53/67/1032965367.db2.gz HORCBTBLXMLRKU-GOSISDBHSA-N 2 2 316.489 3.540 20 0 DHADLP CC1(C)COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983987 1032965382 /nfs/dbraw/zinc/96/53/82/1032965382.db2.gz HORCBTBLXMLRKU-GOSISDBHSA-N 2 2 316.489 3.540 20 0 DHADLP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926799931 1021310908 /nfs/dbraw/zinc/31/09/08/1021310908.db2.gz VVBZSWNHUHIIHP-ZJIFWQFVSA-N 2 2 316.411 3.738 20 0 DHADLP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926799931 1021310923 /nfs/dbraw/zinc/31/09/23/1021310923.db2.gz VVBZSWNHUHIIHP-ZJIFWQFVSA-N 2 2 316.411 3.738 20 0 DHADLP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926799930 1021312476 /nfs/dbraw/zinc/31/24/76/1021312476.db2.gz VVBZSWNHUHIIHP-XUWVNRHRSA-N 2 2 316.411 3.738 20 0 DHADLP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926799930 1021312493 /nfs/dbraw/zinc/31/24/93/1021312493.db2.gz VVBZSWNHUHIIHP-XUWVNRHRSA-N 2 2 316.411 3.738 20 0 DHADLP Fc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000538061639 1032982668 /nfs/dbraw/zinc/98/26/68/1032982668.db2.gz BJWIQWUNOOQKFV-IBGZPJMESA-N 2 2 313.420 3.642 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556061352 1021510970 /nfs/dbraw/zinc/51/09/70/1021510970.db2.gz WCTRHCAHWGMMHU-APWZRJJASA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000556061352 1021510974 /nfs/dbraw/zinc/51/09/74/1021510974.db2.gz WCTRHCAHWGMMHU-APWZRJJASA-N 2 2 316.395 3.890 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2cnccc2o1 ZINC000850425746 1021523677 /nfs/dbraw/zinc/52/36/77/1021523677.db2.gz PHVYHVSHJJWDEU-GUYCJALGSA-N 2 2 312.417 3.790 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCC34CC4)CC2)cc1 ZINC000850438934 1021535526 /nfs/dbraw/zinc/53/55/26/1021535526.db2.gz XLWKCQVCXAKMQP-IBGZPJMESA-N 2 2 313.489 3.644 20 0 DHADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000556118924 1021543526 /nfs/dbraw/zinc/54/35/26/1021543526.db2.gz MLIJIAPSVGDWDO-QHAWAJNXSA-N 2 2 324.468 3.799 20 0 DHADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000556118924 1021543539 /nfs/dbraw/zinc/54/35/39/1021543539.db2.gz MLIJIAPSVGDWDO-QHAWAJNXSA-N 2 2 324.468 3.799 20 0 DHADLP CC[N@H+](Cc1cccc(C[NH3+])c1)Cc1c(F)cccc1Cl ZINC001236103906 1021572151 /nfs/dbraw/zinc/57/21/51/1021572151.db2.gz FOGHUCIZATWELG-UHFFFAOYSA-N 2 2 306.812 3.960 20 0 DHADLP CC[N@@H+](Cc1cccc(C[NH3+])c1)Cc1c(F)cccc1Cl ZINC001236103906 1021572167 /nfs/dbraw/zinc/57/21/67/1021572167.db2.gz FOGHUCIZATWELG-UHFFFAOYSA-N 2 2 306.812 3.960 20 0 DHADLP CC(C)Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000892749578 1021595747 /nfs/dbraw/zinc/59/57/47/1021595747.db2.gz NJQUWHRVPORJSH-UHFFFAOYSA-N 2 2 320.440 3.756 20 0 DHADLP CCc1ccc([C@@H](C[NH2+][C@H]2CCSC2)[NH+](CC)CC)cc1 ZINC000556211353 1021610247 /nfs/dbraw/zinc/61/02/47/1021610247.db2.gz AHCWXFUCFPDQSL-ZWKOTPCHSA-N 2 2 306.519 3.727 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)ccc(F)c1Cl)C2 ZINC001172103908 1033007641 /nfs/dbraw/zinc/00/76/41/1033007641.db2.gz XXFYMEFZJIRJGD-CNDDSTCGSA-N 2 2 314.807 3.723 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)ccc(F)c1Cl)C2 ZINC001172103908 1033007654 /nfs/dbraw/zinc/00/76/54/1033007654.db2.gz XXFYMEFZJIRJGD-CNDDSTCGSA-N 2 2 314.807 3.723 20 0 DHADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000893017912 1021804118 /nfs/dbraw/zinc/80/41/18/1021804118.db2.gz BBUXVTZQCCATBP-DYVFJYSZSA-N 2 2 320.458 3.522 20 0 DHADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000893017912 1021804132 /nfs/dbraw/zinc/80/41/32/1021804132.db2.gz BBUXVTZQCCATBP-DYVFJYSZSA-N 2 2 320.458 3.522 20 0 DHADLP CCc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)s1 ZINC000152829036 1021839241 /nfs/dbraw/zinc/83/92/41/1021839241.db2.gz NYOKYGCIQOAJAA-ZDUSSCGKSA-N 2 2 303.475 3.737 20 0 DHADLP C[N@H+](Cc1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001143499505 1021844966 /nfs/dbraw/zinc/84/49/66/1021844966.db2.gz MYHFWSIYVXOTJK-UHFFFAOYSA-N 2 2 320.786 3.885 20 0 DHADLP C[N@@H+](Cc1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001143499505 1021844981 /nfs/dbraw/zinc/84/49/81/1021844981.db2.gz MYHFWSIYVXOTJK-UHFFFAOYSA-N 2 2 320.786 3.885 20 0 DHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143499553 1021848363 /nfs/dbraw/zinc/84/83/63/1021848363.db2.gz ORHXCSBMXJBSGN-UHFFFAOYSA-N 2 2 308.775 3.742 20 0 DHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143499553 1021848378 /nfs/dbraw/zinc/84/83/78/1021848378.db2.gz ORHXCSBMXJBSGN-UHFFFAOYSA-N 2 2 308.775 3.742 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000379648376 1021965957 /nfs/dbraw/zinc/96/59/57/1021965957.db2.gz MKPLPVZNUXKSBA-PKOBYXMFSA-N 2 2 309.457 3.533 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000379648376 1021965966 /nfs/dbraw/zinc/96/59/66/1021965966.db2.gz MKPLPVZNUXKSBA-PKOBYXMFSA-N 2 2 309.457 3.533 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c(OC)ccc2ccccc21 ZINC000557010322 1022014949 /nfs/dbraw/zinc/01/49/49/1022014949.db2.gz YHTKJDLAWAETRM-MSOLQXFVSA-N 2 2 324.468 3.907 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c(OC)ccc2ccccc21 ZINC000557010322 1022014968 /nfs/dbraw/zinc/01/49/68/1022014968.db2.gz YHTKJDLAWAETRM-MSOLQXFVSA-N 2 2 324.468 3.907 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(OC)ccc2ccccc21 ZINC000557010322 1022014985 /nfs/dbraw/zinc/01/49/85/1022014985.db2.gz YHTKJDLAWAETRM-MSOLQXFVSA-N 2 2 324.468 3.907 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(OC)ccc2ccccc21 ZINC000557010322 1022015002 /nfs/dbraw/zinc/01/50/02/1022015002.db2.gz YHTKJDLAWAETRM-MSOLQXFVSA-N 2 2 324.468 3.907 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000338942119 1022084547 /nfs/dbraw/zinc/08/45/47/1022084547.db2.gz IMWAJVLIVOSZKU-LJQANCHMSA-N 2 2 315.505 3.588 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000338942119 1022084560 /nfs/dbraw/zinc/08/45/60/1022084560.db2.gz IMWAJVLIVOSZKU-LJQANCHMSA-N 2 2 315.505 3.588 20 0 DHADLP Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nn1C ZINC000337495623 1033032261 /nfs/dbraw/zinc/03/22/61/1033032261.db2.gz YDIMUZXESREKRY-CABCVRRESA-N 2 2 323.444 3.634 20 0 DHADLP C[C@H]([NH2+]CCNc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000766515364 1022159226 /nfs/dbraw/zinc/15/92/26/1022159226.db2.gz MTDCEJMCNQIWFM-INIZCTEOSA-N 2 2 306.413 3.635 20 0 DHADLP CC[NH+](CC)c1ccc(C)c(-n2cnc3ccc(C[NH3+])cc32)c1 ZINC001168846605 1022159296 /nfs/dbraw/zinc/15/92/96/1022159296.db2.gz QOWNDTPYVHRXNH-UHFFFAOYSA-N 2 2 308.429 3.639 20 0 DHADLP CC[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000397910178 1022206374 /nfs/dbraw/zinc/20/63/74/1022206374.db2.gz HOGYSVQNPPDMLH-VAMGGRTRSA-N 2 2 316.489 3.588 20 0 DHADLP CC[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000397910178 1022206386 /nfs/dbraw/zinc/20/63/86/1022206386.db2.gz HOGYSVQNPPDMLH-VAMGGRTRSA-N 2 2 316.489 3.588 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001169068779 1022239156 /nfs/dbraw/zinc/23/91/56/1022239156.db2.gz VQJCLUOYROOGKD-RBUKOAKNSA-N 2 2 300.490 3.860 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001169068779 1022239162 /nfs/dbraw/zinc/23/91/62/1022239162.db2.gz VQJCLUOYROOGKD-RBUKOAKNSA-N 2 2 300.490 3.860 20 0 DHADLP Cc1ccccc1[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001169080992 1022250275 /nfs/dbraw/zinc/25/02/75/1022250275.db2.gz OSMGYKFHPOSMTH-HUUJSLGLSA-N 2 2 321.468 3.694 20 0 DHADLP Cc1ccccc1[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001169080992 1022250281 /nfs/dbraw/zinc/25/02/81/1022250281.db2.gz OSMGYKFHPOSMTH-HUUJSLGLSA-N 2 2 321.468 3.694 20 0 DHADLP Cc1cc2cc(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)[nH+]cc2[nH]1 ZINC001169141746 1022271714 /nfs/dbraw/zinc/27/17/14/1022271714.db2.gz KNUKYPHDNOWBAS-KDOFPFPSSA-N 2 2 300.450 3.827 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001169155792 1022284935 /nfs/dbraw/zinc/28/49/35/1022284935.db2.gz VHHCTEPALWZBRT-CFAJVAMVSA-N 2 2 306.400 3.727 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001169155792 1022284949 /nfs/dbraw/zinc/28/49/49/1022284949.db2.gz VHHCTEPALWZBRT-CFAJVAMVSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001169155792 1022284960 /nfs/dbraw/zinc/28/49/60/1022284960.db2.gz VHHCTEPALWZBRT-CFAJVAMVSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001169155792 1022284969 /nfs/dbraw/zinc/28/49/69/1022284969.db2.gz VHHCTEPALWZBRT-CFAJVAMVSA-N 2 2 306.400 3.727 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cc2)C1 ZINC000078704593 1022332733 /nfs/dbraw/zinc/33/27/33/1022332733.db2.gz VLZAKXOBANKQNS-FUHWJXTLSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(F)cc2)C1 ZINC000078704593 1022332752 /nfs/dbraw/zinc/33/27/52/1022332752.db2.gz VLZAKXOBANKQNS-FUHWJXTLSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000078704593 1022332770 /nfs/dbraw/zinc/33/27/70/1022332770.db2.gz VLZAKXOBANKQNS-FUHWJXTLSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000078704593 1022332787 /nfs/dbraw/zinc/33/27/87/1022332787.db2.gz VLZAKXOBANKQNS-FUHWJXTLSA-N 2 2 304.453 3.912 20 0 DHADLP FCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000367626463 1022389070 /nfs/dbraw/zinc/38/90/70/1022389070.db2.gz OFJSUFMQGIPMLO-YOEHRIQHSA-N 2 2 310.482 3.830 20 0 DHADLP Fc1ccc(SCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000660075636 1022431894 /nfs/dbraw/zinc/43/18/94/1022431894.db2.gz BYBLEQBFAFMIMB-LBPRGKRZSA-N 2 2 323.412 3.660 20 0 DHADLP Fc1ccc(SCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000660075636 1022431906 /nfs/dbraw/zinc/43/19/06/1022431906.db2.gz BYBLEQBFAFMIMB-LBPRGKRZSA-N 2 2 323.412 3.660 20 0 DHADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000854233259 1022434700 /nfs/dbraw/zinc/43/47/00/1022434700.db2.gz YKNVAEQYYTWSMQ-HZMBPMFUSA-N 2 2 300.418 3.576 20 0 DHADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cccnc1Cl ZINC000185159097 1022463214 /nfs/dbraw/zinc/46/32/14/1022463214.db2.gz JUDUMOYFWQHGFM-UHFFFAOYSA-N 2 2 309.885 3.869 20 0 DHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](C)[NH+](C)C ZINC000671108697 1022526973 /nfs/dbraw/zinc/52/69/73/1022526973.db2.gz MNAIDVBMCDQJOQ-CABCVRRESA-N 2 2 301.478 3.764 20 0 DHADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000337546630 1033063901 /nfs/dbraw/zinc/06/39/01/1033063901.db2.gz LVQLOAPQGFRRDV-UONOGXRCSA-N 2 2 310.401 3.889 20 0 DHADLP CC(C)[C@H](C)[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000179955696 1022593918 /nfs/dbraw/zinc/59/39/18/1022593918.db2.gz NVCICBVRQVXVQU-INIZCTEOSA-N 2 2 303.494 3.921 20 0 DHADLP FC(F)(F)c1ccc(C2([NH2+]CCCn3cc[nH+]c3)CCC2)cc1 ZINC000621352085 1022708281 /nfs/dbraw/zinc/70/82/81/1022708281.db2.gz MWPDYBPCYGAPOF-UHFFFAOYSA-N 2 2 323.362 3.961 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)CCC2 ZINC000364099546 1022718609 /nfs/dbraw/zinc/71/86/09/1022718609.db2.gz SPDGWLUPJSXGCK-CYBMUJFWSA-N 2 2 307.800 3.651 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000857060204 1022938702 /nfs/dbraw/zinc/93/87/02/1022938702.db2.gz LZFNEQWCSXASLO-DJIMGWMZSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000857060204 1022938707 /nfs/dbraw/zinc/93/87/07/1022938707.db2.gz LZFNEQWCSXASLO-DJIMGWMZSA-N 2 2 308.416 3.532 20 0 DHADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000397921783 1023002171 /nfs/dbraw/zinc/00/21/71/1023002171.db2.gz OLHPPFRJJQAWAO-ZCNNSNEGSA-N 2 2 316.489 3.588 20 0 DHADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000397921783 1023002188 /nfs/dbraw/zinc/00/21/88/1023002188.db2.gz OLHPPFRJJQAWAO-ZCNNSNEGSA-N 2 2 316.489 3.588 20 0 DHADLP CCOc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000337640176 1033112748 /nfs/dbraw/zinc/11/27/48/1033112748.db2.gz XFKYEUDMRSFMOH-UHFFFAOYSA-N 2 2 321.424 3.903 20 0 DHADLP CCOc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000337640176 1033112750 /nfs/dbraw/zinc/11/27/50/1033112750.db2.gz XFKYEUDMRSFMOH-UHFFFAOYSA-N 2 2 321.424 3.903 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000769872041 1023236595 /nfs/dbraw/zinc/23/65/95/1023236595.db2.gz DPGPKYMTQBJUDV-ZDUSSCGKSA-N 2 2 310.401 3.582 20 0 DHADLP CCc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000769873464 1023237499 /nfs/dbraw/zinc/23/74/99/1023237499.db2.gz IJNSHHGIXBHREE-CYBMUJFWSA-N 2 2 305.466 3.603 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652134569 1023344588 /nfs/dbraw/zinc/34/45/88/1023344588.db2.gz YATLBAGLCLIBJO-MOPGFXCFSA-N 2 2 301.478 3.777 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652134569 1023344595 /nfs/dbraw/zinc/34/45/95/1023344595.db2.gz YATLBAGLCLIBJO-MOPGFXCFSA-N 2 2 301.478 3.777 20 0 DHADLP C(=C\c1ccccc1)\C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675021 1023377371 /nfs/dbraw/zinc/37/73/71/1023377371.db2.gz WFJJKXHYCCUDFR-GHXNOFRVSA-N 2 2 306.453 3.954 20 0 DHADLP CC[C@@H](C)OCC[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172352233 1033134107 /nfs/dbraw/zinc/13/41/07/1033134107.db2.gz QUQJLUDICZCZHW-HUUCEWRRSA-N 2 2 301.434 3.775 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651750051 1023515152 /nfs/dbraw/zinc/51/51/52/1023515152.db2.gz UNFUGEFDRYAFCG-HNNXBMFYSA-N 2 2 310.844 3.930 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC000661210369 1023527082 /nfs/dbraw/zinc/52/70/82/1023527082.db2.gz LTOMKONMWPPWFZ-GOSISDBHSA-N 2 2 317.864 3.713 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC000661210369 1023527090 /nfs/dbraw/zinc/52/70/90/1023527090.db2.gz LTOMKONMWPPWFZ-GOSISDBHSA-N 2 2 317.864 3.713 20 0 DHADLP CC[C@@H](C)OCC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172362674 1033142356 /nfs/dbraw/zinc/14/23/56/1033142356.db2.gz VZWWVXITSJBPGE-IAGOWNOFSA-N 2 2 310.526 3.919 20 0 DHADLP CC[C@@H](C)OCC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172362674 1033142361 /nfs/dbraw/zinc/14/23/61/1033142361.db2.gz VZWWVXITSJBPGE-IAGOWNOFSA-N 2 2 310.526 3.919 20 0 DHADLP Clc1ccccc1C1([NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000652217337 1023704451 /nfs/dbraw/zinc/70/44/51/1023704451.db2.gz UYHZGONECQMIRC-UHFFFAOYSA-N 2 2 304.865 3.936 20 0 DHADLP CC(C)C[N@H+](C)CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000652222200 1023707848 /nfs/dbraw/zinc/70/78/48/1023707848.db2.gz HRKUNXYDHSWENB-KRWDZBQOSA-N 2 2 306.498 3.599 20 0 DHADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000652222200 1023707854 /nfs/dbraw/zinc/70/78/54/1023707854.db2.gz HRKUNXYDHSWENB-KRWDZBQOSA-N 2 2 306.498 3.599 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2ccon2)CC1 ZINC000662047854 1023867380 /nfs/dbraw/zinc/86/73/80/1023867380.db2.gz JBMAVLIUHUQYBG-UHFFFAOYSA-N 2 2 322.412 3.548 20 0 DHADLP CC1=CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000788616171 1023913613 /nfs/dbraw/zinc/91/36/13/1023913613.db2.gz XRSGEEILXBIJOM-QGZVFWFLSA-N 2 2 313.489 3.810 20 0 DHADLP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000788638016 1023917270 /nfs/dbraw/zinc/91/72/70/1023917270.db2.gz FODGJGQJPNJQQG-HXUWFJFHSA-N 2 2 319.408 3.745 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC001137178885 1024076960 /nfs/dbraw/zinc/07/69/60/1024076960.db2.gz DNNGOZWRUMMQPM-GOSISDBHSA-N 2 2 319.408 3.592 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC001137178885 1024076978 /nfs/dbraw/zinc/07/69/78/1024076978.db2.gz DNNGOZWRUMMQPM-GOSISDBHSA-N 2 2 319.408 3.592 20 0 DHADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC001170113651 1024138156 /nfs/dbraw/zinc/13/81/56/1024138156.db2.gz SVIQEIHHNQNRJU-AUUYWEPGSA-N 2 2 304.453 3.877 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cncs1 ZINC000268792264 1024161184 /nfs/dbraw/zinc/16/11/84/1024161184.db2.gz DUWGOHNJWMMFEE-OAHLLOKOSA-N 2 2 315.486 3.501 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(OC(F)(F)F)c1 ZINC000268851747 1024180365 /nfs/dbraw/zinc/18/03/65/1024180365.db2.gz WMRBMEOJNLKJOM-NWDGAFQWSA-N 2 2 313.323 3.521 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000268997078 1024215412 /nfs/dbraw/zinc/21/54/12/1024215412.db2.gz KRFPNIITVZAGSM-CYBMUJFWSA-N 2 2 306.425 3.502 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000269003732 1024217562 /nfs/dbraw/zinc/21/75/62/1024217562.db2.gz MCAXGZUAYMUUCW-LLVKDONJSA-N 2 2 312.379 3.771 20 0 DHADLP Clc1nccc2oc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc21 ZINC000876972972 1033194028 /nfs/dbraw/zinc/19/40/28/1033194028.db2.gz UGPZZYLVZSVSCJ-UHFFFAOYSA-N 2 2 319.836 3.588 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269669633 1024302935 /nfs/dbraw/zinc/30/29/35/1024302935.db2.gz ZWKYEQFFUKKOEZ-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269669633 1024302948 /nfs/dbraw/zinc/30/29/48/1024302948.db2.gz ZWKYEQFFUKKOEZ-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000269669633 1024302959 /nfs/dbraw/zinc/30/29/59/1024302959.db2.gz ZWKYEQFFUKKOEZ-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000269669633 1024302978 /nfs/dbraw/zinc/30/29/78/1024302978.db2.gz ZWKYEQFFUKKOEZ-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269669627 1024303348 /nfs/dbraw/zinc/30/33/48/1024303348.db2.gz ZWKYEQFFUKKOEZ-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269669627 1024303364 /nfs/dbraw/zinc/30/33/64/1024303364.db2.gz ZWKYEQFFUKKOEZ-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000269669627 1024303381 /nfs/dbraw/zinc/30/33/81/1024303381.db2.gz ZWKYEQFFUKKOEZ-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000269669627 1024303398 /nfs/dbraw/zinc/30/33/98/1024303398.db2.gz ZWKYEQFFUKKOEZ-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP c1cn(Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCCC3)c2)c[nH+]1 ZINC000453098998 1024314056 /nfs/dbraw/zinc/31/40/56/1024314056.db2.gz XNOUCNKRVOZZJP-HXUWFJFHSA-N 2 2 309.457 3.990 20 0 DHADLP C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883255232 1024322871 /nfs/dbraw/zinc/32/28/71/1024322871.db2.gz PBZADTCIPVBZDZ-ZDUSSCGKSA-N 2 2 305.372 3.958 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453166082 1024378338 /nfs/dbraw/zinc/37/83/38/1024378338.db2.gz HGPVTAMPTKLAJI-FOIQADDNSA-N 2 2 313.489 3.775 20 0 DHADLP CC(C)COCC[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001172456757 1033209017 /nfs/dbraw/zinc/20/90/17/1033209017.db2.gz IHVWILFRZIYWNR-AZUAARDMSA-N 2 2 318.505 3.864 20 0 DHADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387022 1024420991 /nfs/dbraw/zinc/42/09/91/1024420991.db2.gz QOHHQWLPMZEATF-YJBOKZPZSA-N 2 2 311.454 3.907 20 0 DHADLP CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccncc1 ZINC000883387769 1024422967 /nfs/dbraw/zinc/42/29/67/1024422967.db2.gz DXAGBGIKRIYJHT-RTBURBONSA-N 2 2 306.413 3.760 20 0 DHADLP c1cn(C[C@@H]([NH2+][C@H]2CCCc3occc32)c2ccccc2)c[nH+]1 ZINC000883387641 1024423154 /nfs/dbraw/zinc/42/31/54/1024423154.db2.gz AWIMZRYAPPJKSM-ZWKOTPCHSA-N 2 2 307.397 3.885 20 0 DHADLP CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000883463562 1024441258 /nfs/dbraw/zinc/44/12/58/1024441258.db2.gz SQMAPSPJGCYXPW-IBGZPJMESA-N 2 2 318.424 3.907 20 0 DHADLP Cc1cccc([C@H]2CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)c1 ZINC000348226747 1024448459 /nfs/dbraw/zinc/44/84/59/1024448459.db2.gz DDOVLVPYKQDHML-INIZCTEOSA-N 2 2 315.486 3.503 20 0 DHADLP Cc1ccc2c(Nc3cnc4c(c3)C[N@H+](C)CC4)cccc2[nH+]1 ZINC001212795234 1024465992 /nfs/dbraw/zinc/46/59/92/1024465992.db2.gz WJMNTRYTGPKGDM-UHFFFAOYSA-N 2 2 304.397 3.670 20 0 DHADLP Cc1ccc2c(Nc3cnc4c(c3)C[N@@H+](C)CC4)cccc2[nH+]1 ZINC001212795234 1024466002 /nfs/dbraw/zinc/46/60/02/1024466002.db2.gz WJMNTRYTGPKGDM-UHFFFAOYSA-N 2 2 304.397 3.670 20 0 DHADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000453414329 1024507515 /nfs/dbraw/zinc/50/75/15/1024507515.db2.gz YOIPJCUWMZSMTR-IEBWSBKVSA-N 2 2 316.489 3.618 20 0 DHADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000453414329 1024507525 /nfs/dbraw/zinc/50/75/25/1024507525.db2.gz YOIPJCUWMZSMTR-IEBWSBKVSA-N 2 2 316.489 3.618 20 0 DHADLP CC(C)[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000643507280 1024509767 /nfs/dbraw/zinc/50/97/67/1024509767.db2.gz XZQBHYPVIXGNSR-HNNXBMFYSA-N 2 2 300.368 3.744 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348245790 1024551270 /nfs/dbraw/zinc/55/12/70/1024551270.db2.gz PLFGJXLRFPQCGX-CZUORRHYSA-N 2 2 323.362 3.953 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348245790 1024551278 /nfs/dbraw/zinc/55/12/78/1024551278.db2.gz PLFGJXLRFPQCGX-CZUORRHYSA-N 2 2 323.362 3.953 20 0 DHADLP CC(C)C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccs1 ZINC000925792297 1024556937 /nfs/dbraw/zinc/55/69/37/1024556937.db2.gz ATKSXYPDEFPGER-HOTGVXAUSA-N 2 2 322.518 3.584 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000532239041 1024586425 /nfs/dbraw/zinc/58/64/25/1024586425.db2.gz ABMGSUFRDWBGAS-SJORKVTESA-N 2 2 309.457 3.741 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000532239041 1024586429 /nfs/dbraw/zinc/58/64/29/1024586429.db2.gz ABMGSUFRDWBGAS-SJORKVTESA-N 2 2 309.457 3.741 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000221996650 1024612436 /nfs/dbraw/zinc/61/24/36/1024612436.db2.gz PBQSGMBHEGKEQS-IUCAKERBSA-N 2 2 304.246 3.991 20 0 DHADLP CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000166978418 1024668895 /nfs/dbraw/zinc/66/88/95/1024668895.db2.gz BVAAYWISAJOJJQ-CQSZACIVSA-N 2 2 324.428 3.836 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001170259486 1024716128 /nfs/dbraw/zinc/71/61/28/1024716128.db2.gz DBSCMZUAXTVYNV-ZBFHGGJFSA-N 2 2 308.897 3.981 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001170259486 1024716135 /nfs/dbraw/zinc/71/61/35/1024716135.db2.gz DBSCMZUAXTVYNV-ZBFHGGJFSA-N 2 2 308.897 3.981 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001170261854 1024716787 /nfs/dbraw/zinc/71/67/87/1024716787.db2.gz SLAXCGSGSSEMBM-YOEHRIQHSA-N 2 2 306.881 3.735 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001170261854 1024716798 /nfs/dbraw/zinc/71/67/98/1024716798.db2.gz SLAXCGSGSSEMBM-YOEHRIQHSA-N 2 2 306.881 3.735 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)CC2 ZINC000321261751 1024731678 /nfs/dbraw/zinc/73/16/78/1024731678.db2.gz ZDFZYYAHBUMKJE-ZWKOTPCHSA-N 2 2 313.445 3.584 20 0 DHADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172557077 1033253270 /nfs/dbraw/zinc/25/32/70/1033253270.db2.gz PBPPFVZGLKWEGT-HLAWJBBLSA-N 2 2 306.453 3.708 20 0 DHADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172557077 1033253278 /nfs/dbraw/zinc/25/32/78/1033253278.db2.gz PBPPFVZGLKWEGT-HLAWJBBLSA-N 2 2 306.453 3.708 20 0 DHADLP Fc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000063345212 1025059519 /nfs/dbraw/zinc/05/95/19/1025059519.db2.gz FSGKQSQWHCCKIZ-UHFFFAOYSA-N 2 2 319.811 3.633 20 0 DHADLP C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353405605 1025059518 /nfs/dbraw/zinc/05/95/18/1025059518.db2.gz OYMGFTBWNHKLNZ-INIZCTEOSA-N 2 2 303.409 3.992 20 0 DHADLP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353405605 1025059532 /nfs/dbraw/zinc/05/95/32/1025059532.db2.gz OYMGFTBWNHKLNZ-INIZCTEOSA-N 2 2 303.409 3.992 20 0 DHADLP C[C@H]1CC[C@H](C)C1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000777130859 1033268012 /nfs/dbraw/zinc/26/80/12/1033268012.db2.gz XDKAUUNRPGKHCO-HOTGVXAUSA-N 2 2 315.505 3.746 20 0 DHADLP CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000353816844 1025258648 /nfs/dbraw/zinc/25/86/48/1025258648.db2.gz RDIRJBZZDPDEBY-ROUUACIJSA-N 2 2 313.445 3.508 20 0 DHADLP CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000353816844 1025258658 /nfs/dbraw/zinc/25/86/58/1025258658.db2.gz RDIRJBZZDPDEBY-ROUUACIJSA-N 2 2 313.445 3.508 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000353973077 1025308231 /nfs/dbraw/zinc/30/82/31/1025308231.db2.gz PLCWKDRMQCIVRK-RBUKOAKNSA-N 2 2 322.468 3.757 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000353973077 1025308243 /nfs/dbraw/zinc/30/82/43/1025308243.db2.gz PLCWKDRMQCIVRK-RBUKOAKNSA-N 2 2 322.468 3.757 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885935911 1025411124 /nfs/dbraw/zinc/41/11/24/1025411124.db2.gz VUSSGZVKWXAILN-DLBZAZTESA-N 2 2 319.493 3.769 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000354393150 1025420375 /nfs/dbraw/zinc/42/03/75/1025420375.db2.gz DAGIPUQCUIWUHI-CQSZACIVSA-N 2 2 310.526 3.536 20 0 DHADLP Cc1cc(C)cc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000354526476 1025449295 /nfs/dbraw/zinc/44/92/95/1025449295.db2.gz AJAMHSKVLYJZIX-UHFFFAOYSA-N 2 2 305.425 3.821 20 0 DHADLP C[C@H](CCc1c(F)cc(Cl)cc1F)n1cc[nH+]c1CC[NH3+] ZINC001172577828 1033292370 /nfs/dbraw/zinc/29/23/70/1033292370.db2.gz WOLQHJMNLWMGAL-SNVBAGLBSA-N 2 2 313.779 3.510 20 0 DHADLP CC(C)c1c[nH]c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000893940437 1025612421 /nfs/dbraw/zinc/61/24/21/1025612421.db2.gz MDJXGRBRKFCRJN-UHFFFAOYSA-N 2 2 318.509 3.621 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000130976748 1025677489 /nfs/dbraw/zinc/67/74/89/1025677489.db2.gz FMTIHIUIOHSCMA-BFHYXJOUSA-N 2 2 317.502 3.861 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000130976748 1025677498 /nfs/dbraw/zinc/67/74/98/1025677498.db2.gz FMTIHIUIOHSCMA-BFHYXJOUSA-N 2 2 317.502 3.861 20 0 DHADLP Clc1ccc2c(n1)CC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000806137947 1025781762 /nfs/dbraw/zinc/78/17/62/1025781762.db2.gz UXEYWOKJLIYSEW-CQSZACIVSA-N 2 2 316.836 3.599 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)c2ccccc21 ZINC000262332465 1025799109 /nfs/dbraw/zinc/79/91/09/1025799109.db2.gz SOHHUVQNZMPULP-CVEARBPZSA-N 2 2 306.331 3.940 20 0 DHADLP CC[C@H]1CC[C@@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000806154561 1025815462 /nfs/dbraw/zinc/81/54/62/1025815462.db2.gz HSSOAGQVCOEHBI-KXBFYZLASA-N 2 2 301.478 3.818 20 0 DHADLP Fc1ccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000356101215 1025945720 /nfs/dbraw/zinc/94/57/20/1025945720.db2.gz QBSXPDWKPNPQDF-UHFFFAOYSA-N 2 2 307.800 3.624 20 0 DHADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000411378408 1025974161 /nfs/dbraw/zinc/97/41/61/1025974161.db2.gz AIDPJQAVDVSEPL-MRXNPFEDSA-N 2 2 306.413 3.646 20 0 DHADLP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000411378408 1025974171 /nfs/dbraw/zinc/97/41/71/1025974171.db2.gz AIDPJQAVDVSEPL-MRXNPFEDSA-N 2 2 306.413 3.646 20 0 DHADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000236577202 1025976963 /nfs/dbraw/zinc/97/69/63/1025976963.db2.gz XNMPSBDUSHJDKD-ICSRJNTNSA-N 2 2 303.409 3.766 20 0 DHADLP Fc1ccc(CC[NH2+]CCCCNc2cccc[nH+]2)c(Cl)c1 ZINC000356192294 1025979235 /nfs/dbraw/zinc/97/92/35/1025979235.db2.gz KOXHMYATWDAJEK-UHFFFAOYSA-N 2 2 321.827 3.899 20 0 DHADLP c1ccc(COCCCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000924875130 1026048775 /nfs/dbraw/zinc/04/87/75/1026048775.db2.gz AEZOCWCWVZOYSU-WOJBJXKFSA-N 2 2 316.489 3.590 20 0 DHADLP c1ccc(COCCCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000924875130 1026048792 /nfs/dbraw/zinc/04/87/92/1026048792.db2.gz AEZOCWCWVZOYSU-WOJBJXKFSA-N 2 2 316.489 3.590 20 0 DHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261725546 1026105063 /nfs/dbraw/zinc/10/50/63/1026105063.db2.gz RCWIFVKUZBFVOR-LEWJYISDSA-N 3 2 323.484 3.763 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644306 1026118935 /nfs/dbraw/zinc/11/89/35/1026118935.db2.gz UBIQWMBIOBZLTQ-WCQYABFASA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000093644306 1026118941 /nfs/dbraw/zinc/11/89/41/1026118941.db2.gz UBIQWMBIOBZLTQ-WCQYABFASA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644306 1026118945 /nfs/dbraw/zinc/11/89/45/1026118945.db2.gz UBIQWMBIOBZLTQ-WCQYABFASA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644306 1026118951 /nfs/dbraw/zinc/11/89/51/1026118951.db2.gz UBIQWMBIOBZLTQ-WCQYABFASA-N 2 2 318.358 3.759 20 0 DHADLP CCC(=O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000290039597 1026295722 /nfs/dbraw/zinc/29/57/22/1026295722.db2.gz NYFQGMXEXNOTRY-HKUYNNGSSA-N 2 2 316.489 3.731 20 0 DHADLP CCC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000290039597 1026295734 /nfs/dbraw/zinc/29/57/34/1026295734.db2.gz NYFQGMXEXNOTRY-HKUYNNGSSA-N 2 2 316.489 3.731 20 0 DHADLP CCC(=O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000290039597 1026295742 /nfs/dbraw/zinc/29/57/42/1026295742.db2.gz NYFQGMXEXNOTRY-HKUYNNGSSA-N 2 2 316.489 3.731 20 0 DHADLP CCC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000290039597 1026295750 /nfs/dbraw/zinc/29/57/50/1026295750.db2.gz NYFQGMXEXNOTRY-HKUYNNGSSA-N 2 2 316.489 3.731 20 0 DHADLP C[C@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)[NH+]1CCCCC1 ZINC000809608418 1026561367 /nfs/dbraw/zinc/56/13/67/1026561367.db2.gz NMMQDOVZQDHCFD-MJJDPTRDSA-N 2 2 308.416 3.675 20 0 DHADLP C[C@@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)[NH+]1CCCCC1 ZINC000809608654 1026563878 /nfs/dbraw/zinc/56/38/78/1026563878.db2.gz NMMQDOVZQDHCFD-UQHVZDHRSA-N 2 2 308.416 3.675 20 0 DHADLP Fc1cc(-c2ccco2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000280081832 1026591318 /nfs/dbraw/zinc/59/13/18/1026591318.db2.gz MZFFIYBQRMEYEX-IAGOWNOFSA-N 2 2 314.404 3.802 20 0 DHADLP Fc1cc(-c2ccco2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000280081832 1026591319 /nfs/dbraw/zinc/59/13/19/1026591319.db2.gz MZFFIYBQRMEYEX-IAGOWNOFSA-N 2 2 314.404 3.802 20 0 DHADLP Fc1cc(-c2ccco2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000280081828 1026591718 /nfs/dbraw/zinc/59/17/18/1026591718.db2.gz MZFFIYBQRMEYEX-DLBZAZTESA-N 2 2 314.404 3.802 20 0 DHADLP Fc1cc(-c2ccco2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000280081828 1026591726 /nfs/dbraw/zinc/59/17/26/1026591726.db2.gz MZFFIYBQRMEYEX-DLBZAZTESA-N 2 2 314.404 3.802 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280299216 1026627740 /nfs/dbraw/zinc/62/77/40/1026627740.db2.gz VPUVZOLBJVJAPT-UHFFFAOYSA-N 2 2 301.821 3.634 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280299216 1026627745 /nfs/dbraw/zinc/62/77/45/1026627745.db2.gz VPUVZOLBJVJAPT-UHFFFAOYSA-N 2 2 301.821 3.634 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000809994948 1026658221 /nfs/dbraw/zinc/65/82/21/1026658221.db2.gz ISYJJRZPPVJHBY-UHFFFAOYSA-N 2 2 314.404 3.903 20 0 DHADLP CC(C)c1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000420257299 1026793575 /nfs/dbraw/zinc/79/35/75/1026793575.db2.gz JTRXQLZFKTXKEG-MRXNPFEDSA-N 2 2 316.493 3.549 20 0 DHADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000420274437 1026798078 /nfs/dbraw/zinc/79/80/78/1026798078.db2.gz OPGMJNSZRHHOPI-HNNXBMFYSA-N 2 2 310.869 3.559 20 0 DHADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000420274437 1026798086 /nfs/dbraw/zinc/79/80/86/1026798086.db2.gz OPGMJNSZRHHOPI-HNNXBMFYSA-N 2 2 310.869 3.559 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420385176 1026810809 /nfs/dbraw/zinc/81/08/09/1026810809.db2.gz UPUPZJFGJVPIJD-XJKSGUPXSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420385176 1026810817 /nfs/dbraw/zinc/81/08/17/1026810817.db2.gz UPUPZJFGJVPIJD-XJKSGUPXSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811472648 1027015674 /nfs/dbraw/zinc/01/56/74/1027015674.db2.gz LHIOOAZPAUJGTM-LBPRGKRZSA-N 2 2 316.276 3.743 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811472648 1027015682 /nfs/dbraw/zinc/01/56/82/1027015682.db2.gz LHIOOAZPAUJGTM-LBPRGKRZSA-N 2 2 316.276 3.743 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc(F)cc1Cl ZINC000811475550 1027016727 /nfs/dbraw/zinc/01/67/27/1027016727.db2.gz OVOLPFCWGKEVOJ-INIZCTEOSA-N 2 2 323.843 3.923 20 0 DHADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C2CC2)c(F)c1 ZINC000421831649 1027060516 /nfs/dbraw/zinc/06/05/16/1027060516.db2.gz DPBAHLZMWSYKFZ-LJQANCHMSA-N 2 2 320.452 3.748 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000572167178 1027175575 /nfs/dbraw/zinc/17/55/75/1027175575.db2.gz UBZSYYIJNCSKML-SNVBAGLBSA-N 2 2 307.290 3.875 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000572167178 1027175580 /nfs/dbraw/zinc/17/55/80/1027175580.db2.gz UBZSYYIJNCSKML-SNVBAGLBSA-N 2 2 307.290 3.875 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCSC2)C[N@H+](Cc2ccccc2)C1 ZINC000561981891 1027155301 /nfs/dbraw/zinc/15/53/01/1027155301.db2.gz APLXDTSHJLQQGD-NEWSRXKRSA-N 2 2 318.530 3.630 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCSC2)C[N@@H+](Cc2ccccc2)C1 ZINC000561981891 1027155308 /nfs/dbraw/zinc/15/53/08/1027155308.db2.gz APLXDTSHJLQQGD-NEWSRXKRSA-N 2 2 318.530 3.630 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCC[C@H]2C2CC2)c[nH+]1 ZINC000561987312 1027163481 /nfs/dbraw/zinc/16/34/81/1027163481.db2.gz IOMPQKTXWWLUEN-PMACEKPBSA-N 2 2 309.457 3.990 20 0 DHADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000572510439 1027207988 /nfs/dbraw/zinc/20/79/88/1027207988.db2.gz JCEQHOQWBJJJFJ-LLVKDONJSA-N 2 2 317.246 3.627 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931727691 1027235427 /nfs/dbraw/zinc/23/54/27/1027235427.db2.gz WKJLWOFCZCIIQP-YUELXQCFSA-N 2 2 310.388 3.518 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931727691 1027235439 /nfs/dbraw/zinc/23/54/39/1027235439.db2.gz WKJLWOFCZCIIQP-YUELXQCFSA-N 2 2 310.388 3.518 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931727691 1027235446 /nfs/dbraw/zinc/23/54/46/1027235446.db2.gz WKJLWOFCZCIIQP-YUELXQCFSA-N 2 2 310.388 3.518 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931727691 1027235455 /nfs/dbraw/zinc/23/54/55/1027235455.db2.gz WKJLWOFCZCIIQP-YUELXQCFSA-N 2 2 310.388 3.518 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422759167 1027308313 /nfs/dbraw/zinc/30/83/13/1027308313.db2.gz FONOTAJVUUKOQS-UXHICEINSA-N 2 2 309.457 3.759 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)on1 ZINC000422795058 1027324062 /nfs/dbraw/zinc/32/40/62/1027324062.db2.gz ZNWGCUZWXCWDCB-GDBMZVCRSA-N 2 2 307.482 3.979 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422941913 1027367740 /nfs/dbraw/zinc/36/77/40/1027367740.db2.gz VZMASIYOVINNPE-WOSRLPQWSA-N 2 2 315.486 3.910 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422941914 1027368149 /nfs/dbraw/zinc/36/81/49/1027368149.db2.gz VZMASIYOVINNPE-WWGRRREGSA-N 2 2 315.486 3.910 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423100324 1027417326 /nfs/dbraw/zinc/41/73/26/1027417326.db2.gz GQOKNASULIPGTB-FSPWUOQZSA-N 2 2 322.880 3.538 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+]C2CCC3(CC3)CC2)[nH+]1 ZINC000362924882 1027448366 /nfs/dbraw/zinc/44/83/66/1027448366.db2.gz QJCUHNFOWKGLIN-UHFFFAOYSA-N 2 2 309.457 3.786 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(SCC(F)(F)F)cc1 ZINC000423197005 1027452644 /nfs/dbraw/zinc/45/26/44/1027452644.db2.gz XGVRKFZNTSDJMP-AAEUAGOBSA-N 2 2 318.408 3.744 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423238844 1027460213 /nfs/dbraw/zinc/46/02/13/1027460213.db2.gz JQDLANYILDMZMM-SUMWQHHRSA-N 2 2 322.374 3.926 20 0 DHADLP C[C@H]([NH3+])CC[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000423222790 1027466231 /nfs/dbraw/zinc/46/62/31/1027466231.db2.gz CPADAMOXHBAFHU-SJCJKPOMSA-N 2 2 306.812 3.895 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C[N@@H+]1C1CC1 ZINC000562505366 1027467555 /nfs/dbraw/zinc/46/75/55/1027467555.db2.gz GUIAFBIYNAYAOT-CHWSQXEVSA-N 2 2 310.844 3.627 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C[N@H+]1C1CC1 ZINC000562505366 1027467564 /nfs/dbraw/zinc/46/75/64/1027467564.db2.gz GUIAFBIYNAYAOT-CHWSQXEVSA-N 2 2 310.844 3.627 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCCO2 ZINC000423233592 1027469095 /nfs/dbraw/zinc/46/90/95/1027469095.db2.gz DUPXJTGQLWLSDB-OALUTQOASA-N 2 2 310.441 3.807 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423242281 1027471980 /nfs/dbraw/zinc/47/19/80/1027471980.db2.gz VJZNAOYFZJLFFA-WFASDCNBSA-N 2 2 301.459 3.521 20 0 DHADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423241338 1027472726 /nfs/dbraw/zinc/47/27/26/1027472726.db2.gz LJVFQGVFGOFICJ-VQTJNVASSA-N 2 2 312.457 3.517 20 0 DHADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423246084 1027474891 /nfs/dbraw/zinc/47/48/91/1027474891.db2.gz JVMREDYFTGMUCP-SCLBCKFNSA-N 2 2 304.384 3.576 20 0 DHADLP CC[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccccc1OC(F)F ZINC000423258585 1027480047 /nfs/dbraw/zinc/48/00/47/1027480047.db2.gz CAEBNUWAMVWTLQ-OCCSQVGLSA-N 2 2 300.393 3.702 20 0 DHADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2ccccc2c1OC(F)F ZINC000423275628 1027493488 /nfs/dbraw/zinc/49/34/88/1027493488.db2.gz MACAQEPFUPHWJQ-ZBEGNZNMSA-N 2 2 320.383 3.829 20 0 DHADLP CCC(C)(C)[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000562562732 1027501752 /nfs/dbraw/zinc/50/17/52/1027501752.db2.gz XJBOZOSXCVIWTM-OAHLLOKOSA-N 2 2 318.509 3.849 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3C[NH2+]CC[C@@H]3C)cs2)cs1 ZINC000423373905 1027516435 /nfs/dbraw/zinc/51/64/35/1027516435.db2.gz WRNCQUFSWASOBE-MJVIPROJSA-N 2 2 321.515 3.829 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000423361756 1027521258 /nfs/dbraw/zinc/52/12/58/1027521258.db2.gz MNKRXKKLBQEEBY-ZOBUZTSGSA-N 2 2 320.477 3.523 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OCC ZINC000423368455 1027523359 /nfs/dbraw/zinc/52/33/59/1027523359.db2.gz RYERAJSNLMDGHW-XIRDDKMYSA-N 2 2 320.477 3.523 20 0 DHADLP COCC1CCC([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000423365136 1027523601 /nfs/dbraw/zinc/52/36/01/1027523601.db2.gz CWKWJMMOAAOHJI-RGKRWLCDSA-N 2 2 312.457 3.634 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000423369970 1027525131 /nfs/dbraw/zinc/52/51/31/1027525131.db2.gz CXRAJUAOIXIBEI-OLZOCXBDSA-N 2 2 303.475 3.767 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000576129426 1027569692 /nfs/dbraw/zinc/56/96/92/1027569692.db2.gz DYXQDGAAQWFRNH-KRWDZBQOSA-N 2 2 304.384 3.976 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423497445 1027573673 /nfs/dbraw/zinc/57/36/73/1027573673.db2.gz GZKQYPLFUIFONH-KXBFYZLASA-N 2 2 311.473 3.666 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000319728290 1027589270 /nfs/dbraw/zinc/58/92/70/1027589270.db2.gz BRCIZPMETWDNOV-SUMWQHHRSA-N 2 2 319.424 3.796 20 0 DHADLP Cc1cc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)sc1Br ZINC000423572778 1027590188 /nfs/dbraw/zinc/59/01/88/1027590188.db2.gz YRRJYYOKZSKOMB-QWRGUYRKSA-N 2 2 317.296 3.612 20 0 DHADLP C[C@@H]([NH2+]CC1Cc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000562805779 1027608508 /nfs/dbraw/zinc/60/85/08/1027608508.db2.gz LBEPAPIJKQQZGQ-MRXNPFEDSA-N 2 2 317.436 3.938 20 0 DHADLP C[C@@H]1C[C@H]1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000576522475 1027625677 /nfs/dbraw/zinc/62/56/77/1027625677.db2.gz CVYDTWFXNIKULA-ZBFHGGJFSA-N 2 2 303.837 3.695 20 0 DHADLP C[C@@H]1C[C@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000576522475 1027625685 /nfs/dbraw/zinc/62/56/85/1027625685.db2.gz CVYDTWFXNIKULA-ZBFHGGJFSA-N 2 2 303.837 3.695 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCC=C(c4ccccn4)C3)cc2)c[nH+]1 ZINC000577020251 1027692218 /nfs/dbraw/zinc/69/22/18/1027692218.db2.gz LYJPDJPMXFGNTN-UHFFFAOYSA-N 2 2 316.408 3.557 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCC=C(c4ccccn4)C3)cc2)c[nH+]1 ZINC000577020251 1027692225 /nfs/dbraw/zinc/69/22/25/1027692225.db2.gz LYJPDJPMXFGNTN-UHFFFAOYSA-N 2 2 316.408 3.557 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)CCC2 ZINC000364099550 1027801415 /nfs/dbraw/zinc/80/14/15/1027801415.db2.gz SPDGWLUPJSXGCK-ZDUSSCGKSA-N 2 2 307.800 3.651 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527681890 1027839615 /nfs/dbraw/zinc/83/96/15/1027839615.db2.gz KQJQQENRQDWNJS-QBTDHISASA-N 2 2 313.489 3.631 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCC[C@@H](c3ccccc3)CC1)C2 ZINC000527710919 1027857536 /nfs/dbraw/zinc/85/75/36/1027857536.db2.gz MGAVOQNMQYBRQQ-KZNAEPCWSA-N 2 2 309.457 3.973 20 0 DHADLP c1cc2cnccc2c(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000527753293 1027879741 /nfs/dbraw/zinc/87/97/41/1027879741.db2.gz SEBGZEZWEPIYLO-IBGZPJMESA-N 2 2 309.457 3.731 20 0 DHADLP c1cc2cnccc2c(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000527753293 1027879760 /nfs/dbraw/zinc/87/97/60/1027879760.db2.gz SEBGZEZWEPIYLO-IBGZPJMESA-N 2 2 309.457 3.731 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1F ZINC000527813607 1027896852 /nfs/dbraw/zinc/89/68/52/1027896852.db2.gz YRLAWKHQDJLWSJ-QDLOVBKTSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1F ZINC000527813607 1027896872 /nfs/dbraw/zinc/89/68/72/1027896872.db2.gz YRLAWKHQDJLWSJ-QDLOVBKTSA-N 2 2 306.400 3.585 20 0 DHADLP C[N@H+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000365328164 1027925401 /nfs/dbraw/zinc/92/54/01/1027925401.db2.gz RXVXKYBRTRDYMD-WCRBZPEASA-N 2 2 321.468 3.709 20 0 DHADLP C[N@@H+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000365328164 1027925415 /nfs/dbraw/zinc/92/54/15/1027925415.db2.gz RXVXKYBRTRDYMD-WCRBZPEASA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000365328164 1027925425 /nfs/dbraw/zinc/92/54/25/1027925425.db2.gz RXVXKYBRTRDYMD-WCRBZPEASA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+](Cc1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000365328164 1027925429 /nfs/dbraw/zinc/92/54/29/1027925429.db2.gz RXVXKYBRTRDYMD-WCRBZPEASA-N 2 2 321.468 3.709 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000365619818 1027984101 /nfs/dbraw/zinc/98/41/01/1027984101.db2.gz BUTYJUIMHNFQDM-ZDUSSCGKSA-N 2 2 318.490 3.554 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000365619818 1027984117 /nfs/dbraw/zinc/98/41/17/1027984117.db2.gz BUTYJUIMHNFQDM-ZDUSSCGKSA-N 2 2 318.490 3.554 20 0 DHADLP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954472 1027987014 /nfs/dbraw/zinc/98/70/14/1027987014.db2.gz ZQNAFKPWOKOYEJ-VBSBHUPXSA-N 2 2 320.521 3.578 20 0 DHADLP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527954472 1027987021 /nfs/dbraw/zinc/98/70/21/1027987021.db2.gz ZQNAFKPWOKOYEJ-VBSBHUPXSA-N 2 2 320.521 3.578 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000577958532 1028001059 /nfs/dbraw/zinc/00/10/59/1028001059.db2.gz OZKYJKUWFVTBSX-CRAIPNDOSA-N 2 2 318.367 3.964 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000577958532 1028001077 /nfs/dbraw/zinc/00/10/77/1028001077.db2.gz OZKYJKUWFVTBSX-CRAIPNDOSA-N 2 2 318.367 3.964 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578049806 1028031919 /nfs/dbraw/zinc/03/19/19/1028031919.db2.gz DQJBCHAHAJEOBQ-JFDDCEBESA-N 2 2 308.416 3.642 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578049806 1028031934 /nfs/dbraw/zinc/03/19/34/1028031934.db2.gz DQJBCHAHAJEOBQ-JFDDCEBESA-N 2 2 308.416 3.642 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000528012079 1028043569 /nfs/dbraw/zinc/04/35/69/1028043569.db2.gz NQDNCMKHOIDHRQ-XJKSGUPXSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000528012079 1028043586 /nfs/dbraw/zinc/04/35/86/1028043586.db2.gz NQDNCMKHOIDHRQ-XJKSGUPXSA-N 2 2 324.415 3.956 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1)CCC2 ZINC000366209495 1028061805 /nfs/dbraw/zinc/06/18/05/1028061805.db2.gz KUAGLAJPQGATSL-OLZOCXBDSA-N 2 2 305.372 3.698 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c(C)s1 ZINC000366217196 1028066271 /nfs/dbraw/zinc/06/62/71/1028066271.db2.gz DXWAMYRLAGHBMI-LESCRADOSA-N 2 2 322.518 3.516 20 0 DHADLP Cc1ccc(CC[C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000366227701 1028066307 /nfs/dbraw/zinc/06/63/07/1028066307.db2.gz DOBMENGZSJENKD-HNNXBMFYSA-N 2 2 313.445 3.563 20 0 DHADLP Cc1cc[nH+]c(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1C ZINC001170753443 1028120948 /nfs/dbraw/zinc/12/09/48/1028120948.db2.gz HLEZIFSCYGYOPH-IBGZPJMESA-N 2 2 309.457 3.817 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000563644436 1028144033 /nfs/dbraw/zinc/14/40/33/1028144033.db2.gz OFHMTPKPPDIZFF-INIZCTEOSA-N 2 2 314.429 3.892 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000563644436 1028144044 /nfs/dbraw/zinc/14/40/44/1028144044.db2.gz OFHMTPKPPDIZFF-INIZCTEOSA-N 2 2 314.429 3.892 20 0 DHADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000563700449 1028172849 /nfs/dbraw/zinc/17/28/49/1028172849.db2.gz IMSJOKHDSSLXQY-ZIAGYGMSSA-N 2 2 319.474 3.804 20 0 DHADLP Cc1cc(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC000367423204 1028185030 /nfs/dbraw/zinc/18/50/30/1028185030.db2.gz QCSBHOKRRJHEKY-UHFFFAOYSA-N 2 2 313.420 3.630 20 0 DHADLP Cc1cc(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC000367423204 1028185038 /nfs/dbraw/zinc/18/50/38/1028185038.db2.gz QCSBHOKRRJHEKY-UHFFFAOYSA-N 2 2 313.420 3.630 20 0 DHADLP Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000449061458 1028297202 /nfs/dbraw/zinc/29/72/02/1028297202.db2.gz GFYBMADIBXAUAM-AEFFLSMTSA-N 2 2 317.864 3.928 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(F)F)cc1 ZINC000368104369 1028304191 /nfs/dbraw/zinc/30/41/91/1028304191.db2.gz FLJOWAVMOXOHJQ-TZMCWYRMSA-N 2 2 321.371 3.609 20 0 DHADLP Fc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)cc1 ZINC000368103342 1028305053 /nfs/dbraw/zinc/30/50/53/1028305053.db2.gz VATWXSDPIGFHAG-FXAWDEMLSA-N 2 2 321.399 3.785 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(F)F)cc1 ZINC000368104367 1028305888 /nfs/dbraw/zinc/30/58/88/1028305888.db2.gz FLJOWAVMOXOHJQ-JSGCOSHPSA-N 2 2 321.371 3.609 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000449051971 1028317950 /nfs/dbraw/zinc/31/79/50/1028317950.db2.gz YLQFOLKWUUXLGU-QUCCMNQESA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000449051971 1028317965 /nfs/dbraw/zinc/31/79/65/1028317965.db2.gz YLQFOLKWUUXLGU-QUCCMNQESA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000449051971 1028317985 /nfs/dbraw/zinc/31/79/85/1028317985.db2.gz YLQFOLKWUUXLGU-QUCCMNQESA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000449051971 1028318005 /nfs/dbraw/zinc/31/80/05/1028318005.db2.gz YLQFOLKWUUXLGU-QUCCMNQESA-N 2 2 324.468 3.765 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000579186070 1028342175 /nfs/dbraw/zinc/34/21/75/1028342175.db2.gz IZKBRXUKYAMSSY-HUUCEWRRSA-N 2 2 301.459 3.507 20 0 DHADLP Cc1ccc2sc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)nc2c1 ZINC000528399585 1028389086 /nfs/dbraw/zinc/38/90/86/1028389086.db2.gz WUMSTOKOXVTNJX-UHFFFAOYSA-N 2 2 312.442 3.707 20 0 DHADLP Cc1ccc2sc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)nc2c1 ZINC000528406674 1028398334 /nfs/dbraw/zinc/39/83/34/1028398334.db2.gz PJHIKXMFGLNXKM-GOEBONIOSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1ccc2sc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)nc2c1 ZINC000528406674 1028398351 /nfs/dbraw/zinc/39/83/51/1028398351.db2.gz PJHIKXMFGLNXKM-GOEBONIOSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1ccc2sc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)nc2c1 ZINC000528406674 1028398366 /nfs/dbraw/zinc/39/83/66/1028398366.db2.gz PJHIKXMFGLNXKM-GOEBONIOSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1ccc2sc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)nc2c1 ZINC000528406674 1028398375 /nfs/dbraw/zinc/39/83/75/1028398375.db2.gz PJHIKXMFGLNXKM-GOEBONIOSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000449307944 1028528655 /nfs/dbraw/zinc/52/86/55/1028528655.db2.gz SOZXWNKVVJZWAW-INIZCTEOSA-N 2 2 315.486 3.969 20 0 DHADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000449307944 1028528668 /nfs/dbraw/zinc/52/86/68/1028528668.db2.gz SOZXWNKVVJZWAW-INIZCTEOSA-N 2 2 315.486 3.969 20 0 DHADLP CCSc1cccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000370375536 1028596887 /nfs/dbraw/zinc/59/68/87/1028596887.db2.gz SFRSFTUUZYZDFO-MRXNPFEDSA-N 2 2 315.486 3.971 20 0 DHADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370627328 1028626486 /nfs/dbraw/zinc/62/64/86/1028626486.db2.gz AMOOYHMKCZNYTI-RXVVDRJESA-N 2 2 321.468 3.571 20 0 DHADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370627328 1028626495 /nfs/dbraw/zinc/62/64/95/1028626495.db2.gz AMOOYHMKCZNYTI-RXVVDRJESA-N 2 2 321.468 3.571 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000370629913 1028626700 /nfs/dbraw/zinc/62/67/00/1028626700.db2.gz RMVCNGXMQLKDLI-AZUAARDMSA-N 2 2 323.484 3.953 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000370629913 1028626709 /nfs/dbraw/zinc/62/67/09/1028626709.db2.gz RMVCNGXMQLKDLI-AZUAARDMSA-N 2 2 323.484 3.953 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC(C)(C)C1 ZINC000370636871 1028629413 /nfs/dbraw/zinc/62/94/13/1028629413.db2.gz VJYLPZOSMABVPV-KANFNMMFSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC(C)(C)C1 ZINC000370636871 1028629418 /nfs/dbraw/zinc/62/94/18/1028629418.db2.gz VJYLPZOSMABVPV-KANFNMMFSA-N 2 2 315.505 3.879 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000370682570 1028637762 /nfs/dbraw/zinc/63/77/62/1028637762.db2.gz PWDCAJSMYUVELG-JKSUJKDBSA-N 2 2 313.445 3.737 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000371177573 1028673457 /nfs/dbraw/zinc/67/34/57/1028673457.db2.gz OOWLFWDDJWBQFA-OAHLLOKOSA-N 2 2 314.433 3.537 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000371177573 1028673464 /nfs/dbraw/zinc/67/34/64/1028673464.db2.gz OOWLFWDDJWBQFA-OAHLLOKOSA-N 2 2 314.433 3.537 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000566148457 1028683441 /nfs/dbraw/zinc/68/34/41/1028683441.db2.gz BUMXLOBYNNUHST-QGZVFWFLSA-N 2 2 309.457 3.998 20 0 DHADLP C[C@@H]1Oc2c(cccc2F)[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000371978620 1028786170 /nfs/dbraw/zinc/78/61/70/1028786170.db2.gz ITQZURRMVSKXDQ-UGSOOPFHSA-N 2 2 323.371 3.623 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](C)[NH+](C)C ZINC000449558296 1028798953 /nfs/dbraw/zinc/79/89/53/1028798953.db2.gz WPVNICDVDBGWQP-FSBNRTBOSA-N 2 2 300.368 3.648 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCC1CCOCC1 ZINC000372128252 1028810394 /nfs/dbraw/zinc/81/03/94/1028810394.db2.gz KJNWMSQTDDWGMY-GOSISDBHSA-N 2 2 319.493 3.678 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCC1CCOCC1 ZINC000372128252 1028810413 /nfs/dbraw/zinc/81/04/13/1028810413.db2.gz KJNWMSQTDDWGMY-GOSISDBHSA-N 2 2 319.493 3.678 20 0 DHADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ncccc1Cl ZINC000528814191 1028834902 /nfs/dbraw/zinc/83/49/02/1028834902.db2.gz PFXHCXKTRSSXIK-UHFFFAOYSA-N 2 2 317.864 3.819 20 0 DHADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ncccc1Cl ZINC000528814191 1028834924 /nfs/dbraw/zinc/83/49/24/1028834924.db2.gz PFXHCXKTRSSXIK-UHFFFAOYSA-N 2 2 317.864 3.819 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000567255671 1028864340 /nfs/dbraw/zinc/86/43/40/1028864340.db2.gz JSMLYYVHQQMCTC-MOPGFXCFSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000567255671 1028864351 /nfs/dbraw/zinc/86/43/51/1028864351.db2.gz JSMLYYVHQQMCTC-MOPGFXCFSA-N 2 2 316.395 3.890 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](Oc4ccccc4)C3)cc2)c[nH+]1 ZINC000567349191 1028880593 /nfs/dbraw/zinc/88/05/93/1028880593.db2.gz ABKNUBZHELBXSH-FQEVSTJZSA-N 2 2 319.408 3.526 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](Oc4ccccc4)C3)cc2)c[nH+]1 ZINC000567349191 1028880616 /nfs/dbraw/zinc/88/06/16/1028880616.db2.gz ABKNUBZHELBXSH-FQEVSTJZSA-N 2 2 319.408 3.526 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2csc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000628183712 1028921362 /nfs/dbraw/zinc/92/13/62/1028921362.db2.gz KXNGZMLYGBYRML-PWSUYJOCSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2csc(C(F)(F)F)c2)CC[N@H+]1C ZINC000628183712 1028921371 /nfs/dbraw/zinc/92/13/71/1028921371.db2.gz KXNGZMLYGBYRML-PWSUYJOCSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)CC[NH+]1C ZINC000628183712 1028921378 /nfs/dbraw/zinc/92/13/78/1028921378.db2.gz KXNGZMLYGBYRML-PWSUYJOCSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)CC[NH+]1C ZINC000628183712 1028921387 /nfs/dbraw/zinc/92/13/87/1028921387.db2.gz KXNGZMLYGBYRML-PWSUYJOCSA-N 2 2 306.397 3.681 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000567750490 1028946501 /nfs/dbraw/zinc/94/65/01/1028946501.db2.gz ZKGXQUKSAFQKBT-PXNSSMCTSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000567750490 1028946512 /nfs/dbraw/zinc/94/65/12/1028946512.db2.gz ZKGXQUKSAFQKBT-PXNSSMCTSA-N 2 2 321.468 3.996 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC(F)(F)C1 ZINC000628221672 1028949242 /nfs/dbraw/zinc/94/92/42/1028949242.db2.gz QDIOWCCOSYJYEA-CJNGLKHVSA-N 2 2 319.399 3.727 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccc(O)c2Cl)cc1 ZINC000816610351 1028959792 /nfs/dbraw/zinc/95/97/92/1028959792.db2.gz HUTYQGIFBCNSJC-UHFFFAOYSA-N 2 2 318.848 3.739 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc(O)c2Cl)cc1 ZINC000816610351 1028959809 /nfs/dbraw/zinc/95/98/09/1028959809.db2.gz HUTYQGIFBCNSJC-UHFFFAOYSA-N 2 2 318.848 3.739 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCC2(C)C)CCOCC1)c1ccccc1 ZINC000568076657 1029002078 /nfs/dbraw/zinc/00/20/78/1029002078.db2.gz PKBAVOBPPOJVAI-FUHWJXTLSA-N 2 2 316.489 3.665 20 0 DHADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000373384627 1029027874 /nfs/dbraw/zinc/02/78/74/1029027874.db2.gz NUYXDNJNUYHKPQ-MDNKFWRPSA-N 2 2 315.505 3.879 20 0 DHADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000373384627 1029027886 /nfs/dbraw/zinc/02/78/86/1029027886.db2.gz NUYXDNJNUYHKPQ-MDNKFWRPSA-N 2 2 315.505 3.879 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)n1-c1ccccc1 ZINC000628422756 1029047931 /nfs/dbraw/zinc/04/79/31/1029047931.db2.gz JKFNGKPQCMDWRV-MSOLQXFVSA-N 2 2 313.470 3.651 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)n1-c1ccccc1 ZINC000628422756 1029047945 /nfs/dbraw/zinc/04/79/45/1029047945.db2.gz JKFNGKPQCMDWRV-MSOLQXFVSA-N 2 2 313.470 3.651 20 0 DHADLP c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373517503 1029067059 /nfs/dbraw/zinc/06/70/59/1029067059.db2.gz ASQHQCWRTIPHJX-DQPZFDDXSA-N 2 2 302.487 3.830 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1OC(F)F ZINC000568568397 1029092712 /nfs/dbraw/zinc/09/27/12/1029092712.db2.gz AHLMINZRXCWXCT-QBOMHBFWSA-N 2 2 324.415 3.765 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1OC(F)F ZINC000568568397 1029092728 /nfs/dbraw/zinc/09/27/28/1029092728.db2.gz AHLMINZRXCWXCT-QBOMHBFWSA-N 2 2 324.415 3.765 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1cccc(O)c1 ZINC000568704697 1029115467 /nfs/dbraw/zinc/11/54/67/1029115467.db2.gz UVHYXCQREPRZQG-UHFFFAOYSA-N 2 2 307.397 3.518 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000568704697 1029115473 /nfs/dbraw/zinc/11/54/73/1029115473.db2.gz UVHYXCQREPRZQG-UHFFFAOYSA-N 2 2 307.397 3.518 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c(Cl)c1 ZINC000568975010 1029154718 /nfs/dbraw/zinc/15/47/18/1029154718.db2.gz PZKPHFRKJUSRRF-CYBMUJFWSA-N 2 2 307.825 3.676 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000374349871 1029306669 /nfs/dbraw/zinc/30/66/69/1029306669.db2.gz IZPNDHFEHQQKCB-LBPRGKRZSA-N 2 2 312.804 3.616 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCS2 ZINC000629517546 1029355581 /nfs/dbraw/zinc/35/55/81/1029355581.db2.gz UXLBWJCIKYDBCR-NVXWUHKLSA-N 2 2 302.487 3.715 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C(F)(F)F)[C@@H](C)C1 ZINC000529528600 1029357099 /nfs/dbraw/zinc/35/70/99/1029357099.db2.gz KNXKFYPPVUPPIP-WCQYABFASA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C(F)(F)F)[C@@H](C)C1 ZINC000529528600 1029357117 /nfs/dbraw/zinc/35/71/17/1029357117.db2.gz KNXKFYPPVUPPIP-WCQYABFASA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccsc2C(F)(F)F)[C@@H](C)C1 ZINC000529528600 1029357132 /nfs/dbraw/zinc/35/71/32/1029357132.db2.gz KNXKFYPPVUPPIP-WCQYABFASA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)[C@@H](C)C1 ZINC000529528600 1029357141 /nfs/dbraw/zinc/35/71/41/1029357141.db2.gz KNXKFYPPVUPPIP-WCQYABFASA-N 2 2 320.424 3.929 20 0 DHADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000629525888 1029358827 /nfs/dbraw/zinc/35/88/27/1029358827.db2.gz FOOBQNAICYVOPT-BYCMXARLSA-N 2 2 314.445 3.835 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563344 1029370274 /nfs/dbraw/zinc/37/02/74/1029370274.db2.gz PKPKHCVVSHWUCH-OSMZGAPFSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563344 1029370290 /nfs/dbraw/zinc/37/02/90/1029370290.db2.gz PKPKHCVVSHWUCH-OSMZGAPFSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@@]1(F)CC[N@H+](Cc2cccc(C[NH+]3CC[C@](C)(F)C3)c2)C1 ZINC000347352926 1029435287 /nfs/dbraw/zinc/43/52/87/1029435287.db2.gz OPLJURLYKSXAJT-HDICACEKSA-N 2 2 308.416 3.554 20 0 DHADLP C[C@@]1(F)CC[N@@H+](Cc2cccc(C[NH+]3CC[C@](C)(F)C3)c2)C1 ZINC000347352926 1029435302 /nfs/dbraw/zinc/43/53/02/1029435302.db2.gz OPLJURLYKSXAJT-HDICACEKSA-N 2 2 308.416 3.554 20 0 DHADLP C[C@@]1(F)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@](C)(F)C3)c2)C1 ZINC000347352926 1029435312 /nfs/dbraw/zinc/43/53/12/1029435312.db2.gz OPLJURLYKSXAJT-HDICACEKSA-N 2 2 308.416 3.554 20 0 DHADLP C[C@@]1(F)CC[NH+](Cc2cccc(C[N@H+]3CC[C@](C)(F)C3)c2)C1 ZINC000347352926 1029435326 /nfs/dbraw/zinc/43/53/26/1029435326.db2.gz OPLJURLYKSXAJT-HDICACEKSA-N 2 2 308.416 3.554 20 0 DHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1ccc(Cl)cc1 ZINC000450472631 1029498657 /nfs/dbraw/zinc/49/86/57/1029498657.db2.gz MCONMXJVOZKWOA-QGZVFWFLSA-N 2 2 303.837 3.552 20 0 DHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1ccc(Cl)cc1 ZINC000450472631 1029498665 /nfs/dbraw/zinc/49/86/65/1029498665.db2.gz MCONMXJVOZKWOA-QGZVFWFLSA-N 2 2 303.837 3.552 20 0 DHADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000390195527 1029557206 /nfs/dbraw/zinc/55/72/06/1029557206.db2.gz UNCCZWYDFHPYHN-UXHICEINSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000390195527 1029557213 /nfs/dbraw/zinc/55/72/13/1029557213.db2.gz UNCCZWYDFHPYHN-UXHICEINSA-N 2 2 309.457 3.650 20 0 DHADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000450673346 1029616430 /nfs/dbraw/zinc/61/64/30/1029616430.db2.gz PBTVMMPVLRLXDE-VAMGGRTRSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000450673346 1029616434 /nfs/dbraw/zinc/61/64/34/1029616434.db2.gz PBTVMMPVLRLXDE-VAMGGRTRSA-N 2 2 316.489 3.617 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000450868829 1029714890 /nfs/dbraw/zinc/71/48/90/1029714890.db2.gz ABIGQELLUNPPOG-GDBMZVCRSA-N 2 2 309.523 3.640 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C)CC(C)C)C1 ZINC000450868829 1029714895 /nfs/dbraw/zinc/71/48/95/1029714895.db2.gz ABIGQELLUNPPOG-GDBMZVCRSA-N 2 2 309.523 3.640 20 0 DHADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)CC(C)C)C1 ZINC000450868829 1029714902 /nfs/dbraw/zinc/71/49/02/1029714902.db2.gz ABIGQELLUNPPOG-GDBMZVCRSA-N 2 2 309.523 3.640 20 0 DHADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C)CC(C)C)C1 ZINC000450868829 1029714907 /nfs/dbraw/zinc/71/49/07/1029714907.db2.gz ABIGQELLUNPPOG-GDBMZVCRSA-N 2 2 309.523 3.640 20 0 DHADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3c(Cl)cccc3Cl)C2)C1 ZINC000451061493 1029780490 /nfs/dbraw/zinc/78/04/90/1029780490.db2.gz LIGBZIPPIOLGCZ-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[N@H+]1CC[C@@]2(CC[NH+](CCc3c(Cl)cccc3Cl)C2)C1 ZINC000451061493 1029780496 /nfs/dbraw/zinc/78/04/96/1029780496.db2.gz LIGBZIPPIOLGCZ-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@H+](CCc3c(Cl)cccc3Cl)C2)C1 ZINC000451061493 1029780499 /nfs/dbraw/zinc/78/04/99/1029780499.db2.gz LIGBZIPPIOLGCZ-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3c(Cl)cccc3Cl)C2)C1 ZINC000451061493 1029780504 /nfs/dbraw/zinc/78/05/04/1029780504.db2.gz LIGBZIPPIOLGCZ-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(-c2ccncc2)cc1 ZINC000530222149 1029782697 /nfs/dbraw/zinc/78/26/97/1029782697.db2.gz QJWNLRUAXCONIL-BEFAXECRSA-N 2 2 307.441 3.684 20 0 DHADLP CSC(C)(C)CC[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000820874865 1029784213 /nfs/dbraw/zinc/78/42/13/1029784213.db2.gz NEDODLLEAORXLN-OAHLLOKOSA-N 2 2 321.534 3.728 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(-c2ccncc2)c1 ZINC000530223500 1029784630 /nfs/dbraw/zinc/78/46/30/1029784630.db2.gz SQKYLRJGCNWDPJ-HNAYVOBHSA-N 2 2 307.441 3.684 20 0 DHADLP CC(C)[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000530471671 1029858264 /nfs/dbraw/zinc/85/82/64/1029858264.db2.gz ALDCANHPBGPCPN-GPANFISMSA-N 2 2 318.427 3.816 20 0 DHADLP Clc1ccc(OCCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000530711304 1029968849 /nfs/dbraw/zinc/96/88/49/1029968849.db2.gz NEPZJMTWUTVMFF-UHFFFAOYSA-N 2 2 319.836 3.643 20 0 DHADLP ClC1(Cl)C[C@H]1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000822583621 1030076794 /nfs/dbraw/zinc/07/67/94/1030076794.db2.gz RHGALSODFXZYGP-CYBMUJFWSA-N 2 2 305.293 3.521 20 0 DHADLP CCc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000924535486 1030117005 /nfs/dbraw/zinc/11/70/05/1030117005.db2.gz WUMSXAGQBGVKJO-FQEVSTJZSA-N 2 2 320.440 3.610 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1C(F)(F)F ZINC000290630845 1030131890 /nfs/dbraw/zinc/13/18/90/1030131890.db2.gz XZEXLNLPQQPSEA-UHFFFAOYSA-N 2 2 315.314 3.563 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1C(F)(F)F ZINC000290630845 1030131902 /nfs/dbraw/zinc/13/19/02/1030131902.db2.gz XZEXLNLPQQPSEA-UHFFFAOYSA-N 2 2 315.314 3.563 20 0 DHADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245809759 1030138984 /nfs/dbraw/zinc/13/89/84/1030138984.db2.gz CEXVKOBPZVJRRY-GJZGRUSLSA-N 2 2 301.409 3.575 20 0 DHADLP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245809759 1030138998 /nfs/dbraw/zinc/13/89/98/1030138998.db2.gz CEXVKOBPZVJRRY-GJZGRUSLSA-N 2 2 301.409 3.575 20 0 DHADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245809752 1030140027 /nfs/dbraw/zinc/14/00/27/1030140027.db2.gz CEXVKOBPZVJRRY-CABCVRRESA-N 2 2 301.409 3.575 20 0 DHADLP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245809752 1030140029 /nfs/dbraw/zinc/14/00/29/1030140029.db2.gz CEXVKOBPZVJRRY-CABCVRRESA-N 2 2 301.409 3.575 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866214569 1030164004 /nfs/dbraw/zinc/16/40/04/1030164004.db2.gz DSAFMANOPSNJTI-NSHDSACASA-N 2 2 307.825 3.616 20 0 DHADLP Cc1cccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccn2)c1 ZINC000924734174 1030173351 /nfs/dbraw/zinc/17/33/51/1030173351.db2.gz YRTYDDHVXNNFPQ-HXUWFJFHSA-N 2 2 320.440 3.746 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(C)ccc1OC ZINC000357787915 1030189047 /nfs/dbraw/zinc/18/90/47/1030189047.db2.gz CFIDEHKRLJQCGW-KSZLIROESA-N 2 2 302.462 3.671 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(C)ccc1OC ZINC000357787915 1030189057 /nfs/dbraw/zinc/18/90/57/1030189057.db2.gz CFIDEHKRLJQCGW-KSZLIROESA-N 2 2 302.462 3.671 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccnn1C1CCC1 ZINC000924807536 1030193635 /nfs/dbraw/zinc/19/36/35/1030193635.db2.gz MERXXZLFJKPPBB-HNNXBMFYSA-N 2 2 321.428 3.645 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2Cl)CC[NH2+]1 ZINC001246228618 1030210250 /nfs/dbraw/zinc/21/02/50/1030210250.db2.gz YJOLGIWOOPZCDA-ONGXEEELSA-N 2 2 306.759 3.589 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCc3cccc4cccc1c43)C2 ZINC000866360804 1030253836 /nfs/dbraw/zinc/25/38/36/1030253836.db2.gz GFWJPXDDIJTVQZ-WBVHZDCISA-N 2 2 303.409 3.697 20 0 DHADLP CC(C)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000925057326 1030259488 /nfs/dbraw/zinc/25/94/88/1030259488.db2.gz FXGCATIEZRSJQH-QXAKKESOSA-N 2 2 318.505 3.767 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cc(-c2ccccc2)no1 ZINC000925170678 1030293684 /nfs/dbraw/zinc/29/36/84/1030293684.db2.gz MZMDOYHLKUMOIG-GOEBONIOSA-N 2 2 322.412 3.766 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c2cccnc2)cc1 ZINC000925222904 1030311620 /nfs/dbraw/zinc/31/16/20/1030311620.db2.gz UMPREYRZYFNUIA-HBMCJLEFSA-N 2 2 323.484 3.942 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)on1 ZINC000925519160 1030384268 /nfs/dbraw/zinc/38/42/68/1030384268.db2.gz SMSMVBRMSNCLCR-MSOLQXFVSA-N 2 2 319.493 3.836 20 0 DHADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000358239532 1030395473 /nfs/dbraw/zinc/39/54/73/1030395473.db2.gz PCSWQDPJVFDMTD-HNAYVOBHSA-N 2 2 313.445 3.728 20 0 DHADLP Clc1cccc2c1CC[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001171034821 1030410567 /nfs/dbraw/zinc/41/05/67/1030410567.db2.gz ZHXNGDJVWOOUCY-HNNXBMFYSA-N 2 2 311.816 3.635 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC[N@@H+]1C ZINC000358313253 1030434999 /nfs/dbraw/zinc/43/49/99/1030434999.db2.gz COXBXEMNGHDXIJ-INWMFGNUSA-N 2 2 306.425 3.500 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC[N@H+]1C ZINC000358313253 1030435008 /nfs/dbraw/zinc/43/50/08/1030435008.db2.gz COXBXEMNGHDXIJ-INWMFGNUSA-N 2 2 306.425 3.500 20 0 DHADLP Cc1cc(C)c(NC(=O)NCCC[NH+](C(C)C)C(C)C)c(C)[nH+]1 ZINC000455504458 1030495543 /nfs/dbraw/zinc/49/55/43/1030495543.db2.gz WPOVQBQQMKGZDZ-UHFFFAOYSA-N 2 2 320.481 3.637 20 0 DHADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000358475873 1030502142 /nfs/dbraw/zinc/50/21/42/1030502142.db2.gz WRLWAUQNJKMZJV-VNHYZAJKSA-N 2 2 307.507 3.755 20 0 DHADLP Cc1nc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000358475873 1030502149 /nfs/dbraw/zinc/50/21/49/1030502149.db2.gz WRLWAUQNJKMZJV-VNHYZAJKSA-N 2 2 307.507 3.755 20 0 DHADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000358475874 1030502459 /nfs/dbraw/zinc/50/24/59/1030502459.db2.gz WRLWAUQNJKMZJV-YDHLFZDLSA-N 2 2 307.507 3.755 20 0 DHADLP Cc1nc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cs1 ZINC000358475874 1030502466 /nfs/dbraw/zinc/50/24/66/1030502466.db2.gz WRLWAUQNJKMZJV-YDHLFZDLSA-N 2 2 307.507 3.755 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1nccs1 ZINC000246505809 1030627985 /nfs/dbraw/zinc/62/79/85/1030627985.db2.gz SWZPNJCBEYPGPE-KCQAQPDRSA-N 2 2 321.515 3.938 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1nccs1 ZINC000246505809 1030628007 /nfs/dbraw/zinc/62/80/07/1030628007.db2.gz SWZPNJCBEYPGPE-KCQAQPDRSA-N 2 2 321.515 3.938 20 0 DHADLP C[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1(Cl)Cl ZINC000824758080 1030638914 /nfs/dbraw/zinc/63/89/14/1030638914.db2.gz INQMMNMBXDZSBT-CQSZACIVSA-N 2 2 310.228 3.546 20 0 DHADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000926216370 1030658781 /nfs/dbraw/zinc/65/87/81/1030658781.db2.gz IYYMDDOADPTXFS-LAUBAEHRSA-N 2 2 323.484 3.513 20 0 DHADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000926216370 1030658784 /nfs/dbraw/zinc/65/87/84/1030658784.db2.gz IYYMDDOADPTXFS-LAUBAEHRSA-N 2 2 323.484 3.513 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000247148244 1030679382 /nfs/dbraw/zinc/67/93/82/1030679382.db2.gz WSFINGIRNKLWBQ-BMFAXAFESA-N 2 2 315.505 3.706 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000247148244 1030679390 /nfs/dbraw/zinc/67/93/90/1030679390.db2.gz WSFINGIRNKLWBQ-BMFAXAFESA-N 2 2 315.505 3.706 20 0 DHADLP CC[N@H+](CC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)C1CC1 ZINC000247139173 1030680447 /nfs/dbraw/zinc/68/04/47/1030680447.db2.gz WCXRSHCIIJOCBH-KBPBESRZSA-N 2 2 317.502 3.862 20 0 DHADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)C1CC1 ZINC000247139173 1030680455 /nfs/dbraw/zinc/68/04/55/1030680455.db2.gz WCXRSHCIIJOCBH-KBPBESRZSA-N 2 2 317.502 3.862 20 0 DHADLP CCc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247972678 1030713346 /nfs/dbraw/zinc/71/33/46/1030713346.db2.gz HMKNGQXOZADJSE-UTKZUKDTSA-N 2 2 323.484 3.644 20 0 DHADLP CCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247972678 1030713362 /nfs/dbraw/zinc/71/33/62/1030713362.db2.gz HMKNGQXOZADJSE-UTKZUKDTSA-N 2 2 323.484 3.644 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1(C)CC1 ZINC000359018330 1030733049 /nfs/dbraw/zinc/73/30/49/1030733049.db2.gz MECYYMTVWGRTAA-LMWSTFAQSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1csc(C(F)(F)F)c1 ZINC000926451435 1030744021 /nfs/dbraw/zinc/74/40/21/1030744021.db2.gz ZZSYMTPOMVOWAB-WCBMZHEXSA-N 2 2 315.364 3.698 20 0 DHADLP CC1(C)Cc2occc2[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000359032480 1030744360 /nfs/dbraw/zinc/74/43/60/1030744360.db2.gz CWBNVLDBXUBTME-VMBOVVBDSA-N 2 2 302.462 3.900 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCCO2 ZINC000359054629 1030753263 /nfs/dbraw/zinc/75/32/63/1030753263.db2.gz LJJYMTIJEXXEFA-FAFZWHIHSA-N 2 2 314.473 3.815 20 0 DHADLP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ncccc1Cl ZINC000926752407 1030903486 /nfs/dbraw/zinc/90/34/86/1030903486.db2.gz GKOSPVDKVYPSPD-GOEBONIOSA-N 2 2 309.885 3.898 20 0 DHADLP CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ncccc1Cl ZINC000926752407 1030903491 /nfs/dbraw/zinc/90/34/91/1030903491.db2.gz GKOSPVDKVYPSPD-GOEBONIOSA-N 2 2 309.885 3.898 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000926752561 1030906029 /nfs/dbraw/zinc/90/60/29/1030906029.db2.gz AUDRBPLPGXORHC-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000926752561 1030906043 /nfs/dbraw/zinc/90/60/43/1030906043.db2.gz AUDRBPLPGXORHC-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c(Cl)n1 ZINC000926852275 1030954495 /nfs/dbraw/zinc/95/44/95/1030954495.db2.gz WPXKYSIFUPURKE-UHFFFAOYSA-N 2 2 309.885 3.644 20 0 DHADLP C[NH+](C)Cc1csc(C[NH2+][C@@H](C2CCC2)C2CCCC2)n1 ZINC000926886639 1030966895 /nfs/dbraw/zinc/96/68/95/1030966895.db2.gz XMBLKZNTVVMKSF-QGZVFWFLSA-N 2 2 307.507 3.653 20 0 DHADLP CC(C)Cc1ncc(C[N@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000359457158 1030975333 /nfs/dbraw/zinc/97/53/33/1030975333.db2.gz HOHJAIBCGVOMQS-UHFFFAOYSA-N 2 2 317.502 3.693 20 0 DHADLP CC(C)Cc1ncc(C[N@@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000359457158 1030975346 /nfs/dbraw/zinc/97/53/46/1030975346.db2.gz HOHJAIBCGVOMQS-UHFFFAOYSA-N 2 2 317.502 3.693 20 0 DHADLP C[NH+](C)CC1CC[NH+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001143859827 1031007918 /nfs/dbraw/zinc/00/79/18/1031007918.db2.gz BUSUYELFKOLNTA-UHFFFAOYSA-N 2 2 319.251 3.906 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000359603310 1031056482 /nfs/dbraw/zinc/05/64/82/1031056482.db2.gz VNILXJNCVIVSEY-CZUORRHYSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000359603310 1031056500 /nfs/dbraw/zinc/05/65/00/1031056500.db2.gz VNILXJNCVIVSEY-CZUORRHYSA-N 2 2 308.853 3.628 20 0 DHADLP CC(C)O[C@H](C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000292591815 1031085744 /nfs/dbraw/zinc/08/57/44/1031085744.db2.gz VEYYQYSREXBZHE-QXAKKESOSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)O[C@H](C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000292591815 1031085759 /nfs/dbraw/zinc/08/57/59/1031085759.db2.gz VEYYQYSREXBZHE-QXAKKESOSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)O[C@H](C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000292591815 1031085771 /nfs/dbraw/zinc/08/57/71/1031085771.db2.gz VEYYQYSREXBZHE-QXAKKESOSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)O[C@H](C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000292591815 1031085784 /nfs/dbraw/zinc/08/57/84/1031085784.db2.gz VEYYQYSREXBZHE-QXAKKESOSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)([NH3+])C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000262011069 1031086108 /nfs/dbraw/zinc/08/61/08/1031086108.db2.gz VCQLTJPWSIWYAB-UHFFFAOYSA-N 2 2 323.893 3.866 20 0 DHADLP C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000359869005 1031172378 /nfs/dbraw/zinc/17/23/78/1031172378.db2.gz FHAAVBWPBUIAFI-INIZCTEOSA-N 2 2 319.408 3.655 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1OC(F)F ZINC000359934802 1031204550 /nfs/dbraw/zinc/20/45/50/1031204550.db2.gz NLISPTZJWIVNKO-JYJNAYRXSA-N 2 2 324.415 3.956 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1OC(F)F ZINC000359934802 1031204560 /nfs/dbraw/zinc/20/45/60/1031204560.db2.gz NLISPTZJWIVNKO-JYJNAYRXSA-N 2 2 324.415 3.956 20 0 DHADLP CC[C@@H](C[NH2+][C@@H]1CCCOc2ccc(C)cc21)[NH+]1CCCC1 ZINC000360056208 1031258475 /nfs/dbraw/zinc/25/84/75/1031258475.db2.gz RKCLGXSDLRTSLR-FUHWJXTLSA-N 2 2 302.462 3.673 20 0 DHADLP CC[C@@H](C[NH2+][C@@H]1CCCc2ccc(OC)cc21)[NH+]1CCCC1 ZINC000360065030 1031262210 /nfs/dbraw/zinc/26/22/10/1031262210.db2.gz YAMNFFAFBXTTDQ-QFBILLFUSA-N 2 2 302.462 3.537 20 0 DHADLP CCc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000536673301 1031385462 /nfs/dbraw/zinc/38/54/62/1031385462.db2.gz MTFBCHQVFUHOGN-SFHVURJKSA-N 2 2 312.457 3.796 20 0 DHADLP CCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000536673301 1031385479 /nfs/dbraw/zinc/38/54/79/1031385479.db2.gz MTFBCHQVFUHOGN-SFHVURJKSA-N 2 2 312.457 3.796 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000536673301 1031385495 /nfs/dbraw/zinc/38/54/95/1031385495.db2.gz MTFBCHQVFUHOGN-SFHVURJKSA-N 2 2 312.457 3.796 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000536673301 1031385508 /nfs/dbraw/zinc/38/55/08/1031385508.db2.gz MTFBCHQVFUHOGN-SFHVURJKSA-N 2 2 312.457 3.796 20 0 DHADLP C[C@@H](CC[NH2+]Cc1ccc(Cl)o1)[N@H+](C)Cc1ccccc1 ZINC000379634360 1031420156 /nfs/dbraw/zinc/42/01/56/1031420156.db2.gz VBHOITZJKSNTOG-AWEZNQCLSA-N 2 2 306.837 3.933 20 0 DHADLP C[C@@H](CC[NH2+]Cc1ccc(Cl)o1)[N@@H+](C)Cc1ccccc1 ZINC000379634360 1031420162 /nfs/dbraw/zinc/42/01/62/1031420162.db2.gz VBHOITZJKSNTOG-AWEZNQCLSA-N 2 2 306.837 3.933 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCCOC1 ZINC000872039526 1031424285 /nfs/dbraw/zinc/42/42/85/1031424285.db2.gz GKNMNSWHDSADSG-WDYCEAGBSA-N 2 2 313.445 3.728 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000379656514 1031432269 /nfs/dbraw/zinc/43/22/69/1031432269.db2.gz PIYUJPJAOJOSGO-SJLPKXTDSA-N 2 2 312.457 3.985 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000379656514 1031432282 /nfs/dbraw/zinc/43/22/82/1031432282.db2.gz PIYUJPJAOJOSGO-SJLPKXTDSA-N 2 2 312.457 3.985 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000872087194 1031482683 /nfs/dbraw/zinc/48/26/83/1031482683.db2.gz GXMFOSXKGYIYIY-NJAFHUGGSA-N 2 2 308.510 3.577 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000872087194 1031482689 /nfs/dbraw/zinc/48/26/89/1031482689.db2.gz GXMFOSXKGYIYIY-NJAFHUGGSA-N 2 2 308.510 3.577 20 0 DHADLP COc1ccc([C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000880 1031486074 /nfs/dbraw/zinc/48/60/74/1031486074.db2.gz VESBFSSFHKIANZ-XLIONFOSSA-N 2 2 316.489 3.999 20 0 DHADLP COc1ccc([C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000880 1031486082 /nfs/dbraw/zinc/48/60/82/1031486082.db2.gz VESBFSSFHKIANZ-XLIONFOSSA-N 2 2 316.489 3.999 20 0 DHADLP COc1ccc([C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000879 1031487014 /nfs/dbraw/zinc/48/70/14/1031487014.db2.gz VESBFSSFHKIANZ-PXNSSMCTSA-N 2 2 316.489 3.999 20 0 DHADLP COc1ccc([C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000879 1031487022 /nfs/dbraw/zinc/48/70/22/1031487022.db2.gz VESBFSSFHKIANZ-PXNSSMCTSA-N 2 2 316.489 3.999 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000536999919 1031487736 /nfs/dbraw/zinc/48/77/36/1031487736.db2.gz GIDSKPYSDRWPQW-MJGOQNOKSA-N 2 2 302.462 3.610 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000536999919 1031487752 /nfs/dbraw/zinc/48/77/52/1031487752.db2.gz GIDSKPYSDRWPQW-MJGOQNOKSA-N 2 2 302.462 3.610 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)C[C@@H]1C ZINC000929782988 1031608544 /nfs/dbraw/zinc/60/85/44/1031608544.db2.gz XXUQYVZMYMQJSF-RDJZCZTQSA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)C[C@@H]1C ZINC000929782988 1031608548 /nfs/dbraw/zinc/60/85/48/1031608548.db2.gz XXUQYVZMYMQJSF-RDJZCZTQSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)o2)C[C@@H]1C ZINC000929782988 1031608557 /nfs/dbraw/zinc/60/85/57/1031608557.db2.gz XXUQYVZMYMQJSF-RDJZCZTQSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)o2)C[C@@H]1C ZINC000929782988 1031608562 /nfs/dbraw/zinc/60/85/62/1031608562.db2.gz XXUQYVZMYMQJSF-RDJZCZTQSA-N 2 2 313.445 3.646 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000293803012 1031631935 /nfs/dbraw/zinc/63/19/35/1031631935.db2.gz VAZUKZMAADMJQC-DVWBAYGPSA-N 2 2 324.468 3.534 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000293803012 1031631943 /nfs/dbraw/zinc/63/19/43/1031631943.db2.gz VAZUKZMAADMJQC-DVWBAYGPSA-N 2 2 324.468 3.534 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2ncccc12 ZINC000873022120 1031693547 /nfs/dbraw/zinc/69/35/47/1031693547.db2.gz QXVHDIQUXZSXQJ-SFHVURJKSA-N 2 2 308.429 3.636 20 0 DHADLP c1ccc(NCCCC[NH2+]Cc2cccc3ncccc23)[nH+]c1 ZINC000873038686 1031697132 /nfs/dbraw/zinc/69/71/32/1031697132.db2.gz UXNNXJOEULNAIO-UHFFFAOYSA-N 2 2 306.413 3.612 20 0 DHADLP Fc1c(Cl)cc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262051 1031780232 /nfs/dbraw/zinc/78/02/32/1031780232.db2.gz IUHMFCZQEQBDOO-FOSCPWQOSA-N 2 2 303.208 3.505 20 0 DHADLP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000361236010 1031800831 /nfs/dbraw/zinc/80/08/31/1031800831.db2.gz HCOIHHUANRPGOX-ZWKOTPCHSA-N 2 2 313.445 3.554 20 0 DHADLP C[C@]1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@]1(F)Cl ZINC000846037320 1031831236 /nfs/dbraw/zinc/83/12/36/1031831236.db2.gz OBCCEWDSJXOJKE-JKSUJKDBSA-N 2 2 307.800 3.667 20 0 DHADLP Cc1[nH]c(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(C)[nH+]1 ZINC000930503632 1031848405 /nfs/dbraw/zinc/84/84/05/1031848405.db2.gz QMDURDXKSMNFPI-VQTJNVASSA-N 2 2 321.424 3.591 20 0 DHADLP COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c1 ZINC000361667966 1032046090 /nfs/dbraw/zinc/04/60/90/1032046090.db2.gz UXUBJAPQQNBPRJ-KRWDZBQOSA-N 2 2 313.445 3.680 20 0 DHADLP COc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c1 ZINC000361667966 1032046109 /nfs/dbraw/zinc/04/61/09/1032046109.db2.gz UXUBJAPQQNBPRJ-KRWDZBQOSA-N 2 2 313.445 3.680 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1Cl ZINC000044535425 1032053135 /nfs/dbraw/zinc/05/31/35/1032053135.db2.gz DQPBPMJBEDEFKJ-NEPJUHHUSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1Cl ZINC000044535425 1032053144 /nfs/dbraw/zinc/05/31/44/1032053144.db2.gz DQPBPMJBEDEFKJ-NEPJUHHUSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172710710 1033346289 /nfs/dbraw/zinc/34/62/89/1033346289.db2.gz LUADQBWTLKPCAA-KDOFPFPSSA-N 2 2 306.881 3.517 20 0 DHADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCC(Cc2ccccc2)CC1 ZINC001172818843 1033380421 /nfs/dbraw/zinc/38/04/21/1033380421.db2.gz UQXYCIGEXKYERH-QHGAOEGBSA-N 2 2 300.490 3.862 20 0 DHADLP C[N@H+](C1CCC(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001172821092 1033382550 /nfs/dbraw/zinc/38/25/50/1033382550.db2.gz HRSGPSSZPDPQQS-UHFFFAOYSA-N 2 2 300.490 3.814 20 0 DHADLP C[N@@H+](C1CCC(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001172821092 1033382558 /nfs/dbraw/zinc/38/25/58/1033382558.db2.gz HRSGPSSZPDPQQS-UHFFFAOYSA-N 2 2 300.490 3.814 20 0 DHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000151113251 1033419503 /nfs/dbraw/zinc/41/95/03/1033419503.db2.gz KJHUGQVPFDPTDE-CYBMUJFWSA-N 2 2 309.360 3.534 20 0 DHADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCOc1cc[nH+]cc1 ZINC001172871412 1033443132 /nfs/dbraw/zinc/44/31/32/1033443132.db2.gz BSYSRZBLDYFIHD-ZDUSSCGKSA-N 2 2 322.861 3.884 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001172884257 1033458525 /nfs/dbraw/zinc/45/85/25/1033458525.db2.gz ZVBUZIUFQFJKNC-CKEIUWERSA-N 2 2 324.921 3.847 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001172884257 1033458529 /nfs/dbraw/zinc/45/85/29/1033458529.db2.gz ZVBUZIUFQFJKNC-CKEIUWERSA-N 2 2 324.921 3.847 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001172884257 1033458535 /nfs/dbraw/zinc/45/85/35/1033458535.db2.gz ZVBUZIUFQFJKNC-CKEIUWERSA-N 2 2 324.921 3.847 20 0 DHADLP Clc1cccc2c(NC[C@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c12 ZINC000552973240 1033569559 /nfs/dbraw/zinc/56/95/59/1033569559.db2.gz NUJYOTNNDQHLSX-GFCCVEGCSA-N 2 2 301.821 3.784 20 0 DHADLP Clc1cccc2c(NC[C@H]3CC[N@H+](C4CC4)C3)cc[nH+]c12 ZINC000552973240 1033569572 /nfs/dbraw/zinc/56/95/72/1033569572.db2.gz NUJYOTNNDQHLSX-GFCCVEGCSA-N 2 2 301.821 3.784 20 0 DHADLP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC001173271503 1033640511 /nfs/dbraw/zinc/64/05/11/1033640511.db2.gz GTXLVTDSBLSADN-VQIMIIECSA-N 2 2 316.489 3.828 20 0 DHADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687332 1033829686 /nfs/dbraw/zinc/82/96/86/1033829686.db2.gz KUFJTGGXHIWMOD-FQVISZRSSA-N 2 2 312.501 3.887 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)CC[N@@H+]1C ZINC000174517954 1033937059 /nfs/dbraw/zinc/93/70/59/1033937059.db2.gz YBDVKXAEYTWXKJ-RDJZCZTQSA-N 2 2 302.462 3.580 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCCC2)CC[N@H+]1C ZINC000174517954 1033937069 /nfs/dbraw/zinc/93/70/69/1033937069.db2.gz YBDVKXAEYTWXKJ-RDJZCZTQSA-N 2 2 302.462 3.580 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCCC2)CC[N@@H+]1C ZINC000174517926 1033938988 /nfs/dbraw/zinc/93/89/88/1033938988.db2.gz YBDVKXAEYTWXKJ-DOTOQJQBSA-N 2 2 302.462 3.580 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCCC2)CC[N@H+]1C ZINC000174517926 1033938997 /nfs/dbraw/zinc/93/89/97/1033938997.db2.gz YBDVKXAEYTWXKJ-DOTOQJQBSA-N 2 2 302.462 3.580 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000480094597 1034060675 /nfs/dbraw/zinc/06/06/75/1034060675.db2.gz QEOIRTNKHVDFTG-KGLIPLIRSA-N 2 2 312.404 3.731 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000480094597 1034060680 /nfs/dbraw/zinc/06/06/80/1034060680.db2.gz QEOIRTNKHVDFTG-KGLIPLIRSA-N 2 2 312.404 3.731 20 0 DHADLP c1cn(Cc2cccc(Nc3cc[nH+]c4ccccc34)c2)c[nH+]1 ZINC001174038870 1034093636 /nfs/dbraw/zinc/09/36/36/1034093636.db2.gz QMDOTFRUVOYRNY-UHFFFAOYSA-N 2 2 300.365 3.645 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000863542348 1034123353 /nfs/dbraw/zinc/12/33/53/1034123353.db2.gz QBHZXICSVFMXMT-TVQRCGJNSA-N 2 2 314.260 3.511 20 0 DHADLP C[C@@H]([NH2+]Cc1cn(C(F)F)c2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000863548297 1034127354 /nfs/dbraw/zinc/12/73/54/1034127354.db2.gz WWRRIIWBICEOTN-IUODEOHRSA-N 2 2 307.388 3.657 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000480234645 1034145064 /nfs/dbraw/zinc/14/50/64/1034145064.db2.gz XCOMMHBFOUBEPQ-KRWDZBQOSA-N 2 2 324.468 3.794 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000480234645 1034145072 /nfs/dbraw/zinc/14/50/72/1034145072.db2.gz XCOMMHBFOUBEPQ-KRWDZBQOSA-N 2 2 324.468 3.794 20 0 DHADLP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)c1cccc2ccccc21 ZINC000177338451 1034151625 /nfs/dbraw/zinc/15/16/25/1034151625.db2.gz IAMVNEBNFSKOCZ-INIZCTEOSA-N 2 2 312.457 3.601 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3c(Cl)n2)CC1 ZINC000794559865 1034200240 /nfs/dbraw/zinc/20/02/40/1034200240.db2.gz KMXGMVCCHSXCRW-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3c(Cl)n2)CC1 ZINC000794559865 1034200250 /nfs/dbraw/zinc/20/02/50/1034200250.db2.gz KMXGMVCCHSXCRW-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2ccccc2n1 ZINC000178343875 1034229516 /nfs/dbraw/zinc/22/95/16/1034229516.db2.gz SOUFMAGJLLGVPC-HNNXBMFYSA-N 2 2 306.413 3.783 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000880257083 1034266712 /nfs/dbraw/zinc/26/67/12/1034266712.db2.gz SBQHGQAVHBQDQB-KRWDZBQOSA-N 2 2 301.478 3.873 20 0 DHADLP c1cn(CCC[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c[nH+]1 ZINC000183189487 1034359075 /nfs/dbraw/zinc/35/90/75/1034359075.db2.gz CIWQWFKKCXBUIW-IBGZPJMESA-N 2 2 308.429 3.982 20 0 DHADLP c1cn(CCC[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c[nH+]1 ZINC000183189487 1034359087 /nfs/dbraw/zinc/35/90/87/1034359087.db2.gz CIWQWFKKCXBUIW-IBGZPJMESA-N 2 2 308.429 3.982 20 0 DHADLP CC[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CC(F)F ZINC000880570244 1034364476 /nfs/dbraw/zinc/36/44/76/1034364476.db2.gz VDFFXCAYCKUDNV-GDBMZVCRSA-N 2 2 307.388 3.895 20 0 DHADLP CC1(C)CCC[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)O1 ZINC000880569926 1034364920 /nfs/dbraw/zinc/36/49/20/1034364920.db2.gz LRXAHLVGAHKEHW-QZTJIDSGSA-N 2 2 313.445 3.562 20 0 DHADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000480775260 1034448038 /nfs/dbraw/zinc/44/80/38/1034448038.db2.gz OROGFPXXHOISDT-INIZCTEOSA-N 2 2 318.461 3.669 20 0 DHADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000480775260 1034448044 /nfs/dbraw/zinc/44/80/44/1034448044.db2.gz OROGFPXXHOISDT-INIZCTEOSA-N 2 2 318.461 3.669 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000555364290 1034655224 /nfs/dbraw/zinc/65/52/24/1034655224.db2.gz GNULGKJCGOYDCU-HKUYNNGSSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000555364290 1034655231 /nfs/dbraw/zinc/65/52/31/1034655231.db2.gz GNULGKJCGOYDCU-HKUYNNGSSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000555364290 1034655239 /nfs/dbraw/zinc/65/52/39/1034655239.db2.gz GNULGKJCGOYDCU-HKUYNNGSSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000555364290 1034655246 /nfs/dbraw/zinc/65/52/46/1034655246.db2.gz GNULGKJCGOYDCU-HKUYNNGSSA-N 2 2 315.505 3.730 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(C)c(F)c(F)c2)C1 ZINC001143611117 1034900612 /nfs/dbraw/zinc/90/06/12/1034900612.db2.gz QJXWDIWJJRJSTJ-OAHLLOKOSA-N 2 2 318.367 3.630 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(C)c(F)c(F)c2)C1 ZINC001143611117 1034900617 /nfs/dbraw/zinc/90/06/17/1034900617.db2.gz QJXWDIWJJRJSTJ-OAHLLOKOSA-N 2 2 318.367 3.630 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000481920625 1035035132 /nfs/dbraw/zinc/03/51/32/1035035132.db2.gz JYUSTWNLELDPOD-OLZOCXBDSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000481920625 1035035138 /nfs/dbraw/zinc/03/51/38/1035035138.db2.gz JYUSTWNLELDPOD-OLZOCXBDSA-N 2 2 314.395 3.709 20 0 DHADLP CC(C)(C)Oc1cccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC001175669952 1035081374 /nfs/dbraw/zinc/08/13/74/1035081374.db2.gz WJRKPLQKXALCHZ-UHFFFAOYSA-N 2 2 316.489 3.924 20 0 DHADLP C(CC1CCCCC1)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001175830258 1035126694 /nfs/dbraw/zinc/12/66/94/1035126694.db2.gz JIQVSULJHNXFGG-LJQANCHMSA-N 2 2 308.510 3.580 20 0 DHADLP C(CC1CCCCC1)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001175830258 1035126697 /nfs/dbraw/zinc/12/66/97/1035126697.db2.gz JIQVSULJHNXFGG-LJQANCHMSA-N 2 2 308.510 3.580 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)CC1 ZINC000668091344 1035149238 /nfs/dbraw/zinc/14/92/38/1035149238.db2.gz CRIUZUQREUWJGB-GSWUYIABSA-N 2 2 316.411 3.570 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCSc1ccccc1Cl ZINC001176070931 1035190847 /nfs/dbraw/zinc/19/08/47/1035190847.db2.gz UMBPBPGRWCQOBN-LSDHHAIUSA-N 2 2 324.921 3.991 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCSc1ccccc1Cl ZINC001176070931 1035190849 /nfs/dbraw/zinc/19/08/49/1035190849.db2.gz UMBPBPGRWCQOBN-LSDHHAIUSA-N 2 2 324.921 3.991 20 0 DHADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCSc1ccccc1Cl ZINC001176070931 1035190850 /nfs/dbraw/zinc/19/08/50/1035190850.db2.gz UMBPBPGRWCQOBN-LSDHHAIUSA-N 2 2 324.921 3.991 20 0 DHADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCSc1ccccc1Cl ZINC001176070931 1035190852 /nfs/dbraw/zinc/19/08/52/1035190852.db2.gz UMBPBPGRWCQOBN-LSDHHAIUSA-N 2 2 324.921 3.991 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH+]1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000482976736 1035210465 /nfs/dbraw/zinc/21/04/65/1035210465.db2.gz XVXHASQYCLUFAR-LJQANCHMSA-N 2 2 302.437 3.763 20 0 DHADLP CC1(c2cccc(Cl)c2)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000483231264 1035244660 /nfs/dbraw/zinc/24/46/60/1035244660.db2.gz IUQOVFUDMXVYHJ-UHFFFAOYSA-N 2 2 317.864 3.980 20 0 DHADLP C[NH+](C)CCCOc1ccc(Nc2cccc3cc[nH+]cc32)cn1 ZINC001176356232 1035256398 /nfs/dbraw/zinc/25/63/98/1035256398.db2.gz RCHUHQMTZGRENA-UHFFFAOYSA-N 2 2 322.412 3.704 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000191839552 1035287228 /nfs/dbraw/zinc/28/72/28/1035287228.db2.gz KWTDDKLHBTYYJN-NQIIRXRSSA-N 2 2 324.468 3.628 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000191839552 1035287234 /nfs/dbraw/zinc/28/72/34/1035287234.db2.gz KWTDDKLHBTYYJN-NQIIRXRSSA-N 2 2 324.468 3.628 20 0 DHADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000483827063 1035303038 /nfs/dbraw/zinc/30/30/38/1035303038.db2.gz WXBUDADLJZKJIZ-KSZLIROESA-N 2 2 301.478 3.667 20 0 DHADLP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000483827063 1035303043 /nfs/dbraw/zinc/30/30/43/1035303043.db2.gz WXBUDADLJZKJIZ-KSZLIROESA-N 2 2 301.478 3.667 20 0 DHADLP Cn1c[nH+]cc1C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC001176977357 1035341168 /nfs/dbraw/zinc/34/11/68/1035341168.db2.gz JUBXUDDZSLYSDP-KRWDZBQOSA-N 2 2 309.457 3.720 20 0 DHADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)sn1 ZINC001176990604 1035341323 /nfs/dbraw/zinc/34/13/23/1035341323.db2.gz LBQKMHKYQWLXBZ-CQSZACIVSA-N 2 2 318.490 3.783 20 0 DHADLP Cc1cc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)sn1 ZINC001176990604 1035341327 /nfs/dbraw/zinc/34/13/27/1035341327.db2.gz LBQKMHKYQWLXBZ-CQSZACIVSA-N 2 2 318.490 3.783 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC001177061813 1035346832 /nfs/dbraw/zinc/34/68/32/1035346832.db2.gz WEBSHPHPUTUPQL-AABGKKOBSA-N 2 2 316.489 3.617 20 0 DHADLP Cc1cc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)ccc1F ZINC001177161853 1035354013 /nfs/dbraw/zinc/35/40/13/1035354013.db2.gz FAYVWKOFKUTWQU-UHFFFAOYSA-N 2 2 301.390 3.671 20 0 DHADLP CS[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001177217420 1035357629 /nfs/dbraw/zinc/35/76/29/1035357629.db2.gz ULOQUGNPCHEAHK-MSOLQXFVSA-N 2 2 315.486 3.695 20 0 DHADLP CC[C@@H](C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1)c1ccccc1 ZINC001177924283 1035399836 /nfs/dbraw/zinc/39/98/36/1035399836.db2.gz HXPCPEPRKZHKEH-SFHVURJKSA-N 2 2 322.496 3.869 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(F)ccc1F ZINC001204219803 1035433797 /nfs/dbraw/zinc/43/37/97/1035433797.db2.gz BHKCMCDUVWBBSD-DLBZAZTESA-N 2 2 308.416 3.804 20 0 DHADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(F)ccc1F ZINC001204219803 1035433798 /nfs/dbraw/zinc/43/37/98/1035433798.db2.gz BHKCMCDUVWBBSD-DLBZAZTESA-N 2 2 308.416 3.804 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F ZINC001204219803 1035433800 /nfs/dbraw/zinc/43/38/00/1035433800.db2.gz BHKCMCDUVWBBSD-DLBZAZTESA-N 2 2 308.416 3.804 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1F ZINC001204219803 1035433802 /nfs/dbraw/zinc/43/38/02/1035433802.db2.gz BHKCMCDUVWBBSD-DLBZAZTESA-N 2 2 308.416 3.804 20 0 DHADLP c1cn(-c2ccc(C[NH2+]C3CC(Nc4ccccc4)C3)cc2)c[nH+]1 ZINC001179519772 1035480599 /nfs/dbraw/zinc/48/05/99/1035480599.db2.gz AONYXUCFGPULRS-UHFFFAOYSA-N 2 2 318.424 3.605 20 0 DHADLP CC(C)CCOCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894818 1035578281 /nfs/dbraw/zinc/57/82/81/1035578281.db2.gz WQZNNKWOXABANY-INIZCTEOSA-N 2 2 301.434 3.586 20 0 DHADLP CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001194189161 1035867975 /nfs/dbraw/zinc/86/79/75/1035867975.db2.gz CCUSMPGRHNPRTJ-QZTJIDSGSA-N 2 2 315.486 3.945 20 0 DHADLP CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001194189164 1035869099 /nfs/dbraw/zinc/86/90/99/1035869099.db2.gz CCUSMPGRHNPRTJ-ZWKOTPCHSA-N 2 2 315.486 3.945 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000669847665 1035900487 /nfs/dbraw/zinc/90/04/87/1035900487.db2.gz NMOBSIMTZKBACT-OTWHNJEPSA-N 2 2 309.457 3.872 20 0 DHADLP Fc1cccc([C@@H]2C[C@@H]2[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC001194525381 1035951113 /nfs/dbraw/zinc/95/11/13/1035951113.db2.gz NJYLCAAFWSPEPG-SFTDATJTSA-N 2 2 324.443 3.936 20 0 DHADLP CCOc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000494976392 1036173243 /nfs/dbraw/zinc/17/32/43/1036173243.db2.gz OYHMNMSERJCFFU-INIZCTEOSA-N 2 2 308.441 3.531 20 0 DHADLP CCOc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000494976392 1036173250 /nfs/dbraw/zinc/17/32/50/1036173250.db2.gz OYHMNMSERJCFFU-INIZCTEOSA-N 2 2 308.441 3.531 20 0 DHADLP CCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000494976392 1036173256 /nfs/dbraw/zinc/17/32/56/1036173256.db2.gz OYHMNMSERJCFFU-INIZCTEOSA-N 2 2 308.441 3.531 20 0 DHADLP CCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000494976392 1036173263 /nfs/dbraw/zinc/17/32/63/1036173263.db2.gz OYHMNMSERJCFFU-INIZCTEOSA-N 2 2 308.441 3.531 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C/C=C\c3ccncc3)C2)CC1 ZINC000495001021 1036176346 /nfs/dbraw/zinc/17/63/46/1036176346.db2.gz YYEVYDKPLSEFTB-POIDEFEESA-N 2 2 313.489 3.539 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C/C=C\c3ccncc3)C2)CC1 ZINC000495001021 1036176354 /nfs/dbraw/zinc/17/63/54/1036176354.db2.gz YYEVYDKPLSEFTB-POIDEFEESA-N 2 2 313.489 3.539 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCCn1cc[nH+]c1)CC3 ZINC000540908278 1036187538 /nfs/dbraw/zinc/18/75/38/1036187538.db2.gz BOHNIUGUHOLTGO-INIZCTEOSA-N 2 2 322.456 3.600 20 0 DHADLP C[C@H]1CCCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000541774939 1036421477 /nfs/dbraw/zinc/42/14/77/1036421477.db2.gz AICSTWYTRDYVCJ-MAUKXSAKSA-N 2 2 316.493 3.603 20 0 DHADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001205263969 1036568524 /nfs/dbraw/zinc/56/85/24/1036568524.db2.gz GOBXQMQHNVAQNF-CQSZACIVSA-N 2 2 304.331 3.548 20 0 DHADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001205263969 1036568527 /nfs/dbraw/zinc/56/85/27/1036568527.db2.gz GOBXQMQHNVAQNF-CQSZACIVSA-N 2 2 304.331 3.548 20 0 DHADLP C[NH+]1C[C@]2(C)C[NH+](C/C=C/c3ccc(Cl)cc3)C[C@@]2(C)C1 ZINC001196632147 1036580965 /nfs/dbraw/zinc/58/09/65/1036580965.db2.gz MPWVMCRSVOMYFO-UBZMYNMCSA-N 2 2 304.865 3.627 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001196631456 1036581057 /nfs/dbraw/zinc/58/10/57/1036581057.db2.gz GBEJTHTXUHCAGO-DOPJRALCSA-N 2 2 324.415 3.623 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001196631456 1036581069 /nfs/dbraw/zinc/58/10/69/1036581069.db2.gz GBEJTHTXUHCAGO-DOPJRALCSA-N 2 2 324.415 3.623 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001196631456 1036581074 /nfs/dbraw/zinc/58/10/74/1036581074.db2.gz GBEJTHTXUHCAGO-DOPJRALCSA-N 2 2 324.415 3.623 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001196631456 1036581091 /nfs/dbraw/zinc/58/10/91/1036581091.db2.gz GBEJTHTXUHCAGO-DOPJRALCSA-N 2 2 324.415 3.623 20 0 DHADLP C[N@@H+]1C[C@]2(C)C[NH+](C/C=C/c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC001196632144 1036582355 /nfs/dbraw/zinc/58/23/55/1036582355.db2.gz MPWVMCRSVOMYFO-OYIOLJDGSA-N 2 2 304.865 3.627 20 0 DHADLP C[N@H+]1C[C@]2(C)C[NH+](C/C=C/c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC001196632144 1036582370 /nfs/dbraw/zinc/58/23/70/1036582370.db2.gz MPWVMCRSVOMYFO-OYIOLJDGSA-N 2 2 304.865 3.627 20 0 DHADLP C[NH+]1C[C@]2(C)C[N@H+](C/C=C/c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC001196632144 1036582382 /nfs/dbraw/zinc/58/23/82/1036582382.db2.gz MPWVMCRSVOMYFO-OYIOLJDGSA-N 2 2 304.865 3.627 20 0 DHADLP C[NH+]1C[C@]2(C)C[N@@H+](C/C=C/c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC001196632144 1036582411 /nfs/dbraw/zinc/58/24/11/1036582411.db2.gz MPWVMCRSVOMYFO-OYIOLJDGSA-N 2 2 304.865 3.627 20 0 DHADLP C[N@@H+]1C[C@]2(C)C[NH+](C/C=C\c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC001196632142 1036583592 /nfs/dbraw/zinc/58/35/92/1036583592.db2.gz MPWVMCRSVOMYFO-JDVOYXAPSA-N 2 2 304.865 3.627 20 0 DHADLP C[N@H+]1C[C@]2(C)C[NH+](C/C=C\c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC001196632142 1036583604 /nfs/dbraw/zinc/58/36/04/1036583604.db2.gz MPWVMCRSVOMYFO-JDVOYXAPSA-N 2 2 304.865 3.627 20 0 DHADLP C[NH+]1C[C@]2(C)C[N@H+](C/C=C\c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC001196632142 1036583613 /nfs/dbraw/zinc/58/36/13/1036583613.db2.gz MPWVMCRSVOMYFO-JDVOYXAPSA-N 2 2 304.865 3.627 20 0 DHADLP C[NH+]1C[C@]2(C)C[N@@H+](C/C=C\c3ccc(Cl)cc3)C[C@]2(C)C1 ZINC001196632142 1036583621 /nfs/dbraw/zinc/58/36/21/1036583621.db2.gz MPWVMCRSVOMYFO-JDVOYXAPSA-N 2 2 304.865 3.627 20 0 DHADLP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CCCC1 ZINC001183378796 1036587979 /nfs/dbraw/zinc/58/79/79/1036587979.db2.gz DTDKISGCJZBWDZ-RBUKOAKNSA-N 2 2 308.510 3.578 20 0 DHADLP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1CCCC1 ZINC001183378796 1036587992 /nfs/dbraw/zinc/58/79/92/1036587992.db2.gz DTDKISGCJZBWDZ-RBUKOAKNSA-N 2 2 308.510 3.578 20 0 DHADLP CC(C)[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001183525320 1036604375 /nfs/dbraw/zinc/60/43/75/1036604375.db2.gz FEFCDQFUMWFEDI-HSALFYBXSA-N 2 2 313.489 3.818 20 0 DHADLP CC(C)[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001183525320 1036604389 /nfs/dbraw/zinc/60/43/89/1036604389.db2.gz FEFCDQFUMWFEDI-HSALFYBXSA-N 2 2 313.489 3.818 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC001183527409 1036605164 /nfs/dbraw/zinc/60/51/64/1036605164.db2.gz WDOULJFWGRDNMP-POAQFYNOSA-N 2 2 313.489 3.962 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC001183527409 1036605171 /nfs/dbraw/zinc/60/51/71/1036605171.db2.gz WDOULJFWGRDNMP-POAQFYNOSA-N 2 2 313.489 3.962 20 0 DHADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001183525319 1036605868 /nfs/dbraw/zinc/60/58/68/1036605868.db2.gz FEFCDQFUMWFEDI-AABGKKOBSA-N 2 2 313.489 3.818 20 0 DHADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001183525319 1036605872 /nfs/dbraw/zinc/60/58/72/1036605872.db2.gz FEFCDQFUMWFEDI-AABGKKOBSA-N 2 2 313.489 3.818 20 0 DHADLP C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001183527402 1036606320 /nfs/dbraw/zinc/60/63/20/1036606320.db2.gz WDOULJFWGRDNMP-IMFGXOCKSA-N 2 2 313.489 3.962 20 0 DHADLP C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001183527402 1036606326 /nfs/dbraw/zinc/60/63/26/1036606326.db2.gz WDOULJFWGRDNMP-IMFGXOCKSA-N 2 2 313.489 3.962 20 0 DHADLP C[C@H]([NH2+]C1Cc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151701697 1036607628 /nfs/dbraw/zinc/60/76/28/1036607628.db2.gz KYGFAKWFPMGUOJ-HNNXBMFYSA-N 2 2 303.409 3.690 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(SCC(F)(F)F)cc1 ZINC000629549733 1036784212 /nfs/dbraw/zinc/78/42/12/1036784212.db2.gz ZQVIKVABADHOPT-COPLHBTASA-N 2 2 318.408 3.742 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC001184373922 1036824604 /nfs/dbraw/zinc/82/46/04/1036824604.db2.gz GAXIQLRSHNTIRJ-HUUCEWRRSA-N 2 2 307.507 3.571 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC001184373922 1036824624 /nfs/dbraw/zinc/82/46/24/1036824624.db2.gz GAXIQLRSHNTIRJ-HUUCEWRRSA-N 2 2 307.507 3.571 20 0 DHADLP CC[C@@H](C)[C@H](C)[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140160 1036952590 /nfs/dbraw/zinc/95/25/90/1036952590.db2.gz CUAKJAIZCXPTCC-MOPGFXCFSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@@H](C)[C@H](C)[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140160 1036952605 /nfs/dbraw/zinc/95/26/05/1036952605.db2.gz CUAKJAIZCXPTCC-MOPGFXCFSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@@H](C)[C@H](C)[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001198140160 1036952620 /nfs/dbraw/zinc/95/26/20/1036952620.db2.gz CUAKJAIZCXPTCC-MOPGFXCFSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@@H](C)[C@H](C)[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001198140160 1036952634 /nfs/dbraw/zinc/95/26/34/1036952634.db2.gz CUAKJAIZCXPTCC-MOPGFXCFSA-N 2 2 318.505 3.646 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000237353268 1037004972 /nfs/dbraw/zinc/00/49/72/1037004972.db2.gz LJVSFQAWYOWMBC-VQIMIIECSA-N 2 2 312.432 3.968 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000237353268 1037004991 /nfs/dbraw/zinc/00/49/91/1037004991.db2.gz LJVSFQAWYOWMBC-VQIMIIECSA-N 2 2 312.432 3.968 20 0 DHADLP COCCCCC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790918 1037123366 /nfs/dbraw/zinc/12/33/66/1037123366.db2.gz PWFNXSOPZIDELN-MRXNPFEDSA-N 2 2 307.482 3.634 20 0 DHADLP COCCCCC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790918 1037123371 /nfs/dbraw/zinc/12/33/71/1037123371.db2.gz PWFNXSOPZIDELN-MRXNPFEDSA-N 2 2 307.482 3.634 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000488968625 1037211320 /nfs/dbraw/zinc/21/13/20/1037211320.db2.gz ANNGMXCFUCLIKF-HNNXBMFYSA-N 2 2 315.288 3.952 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000488968625 1037211340 /nfs/dbraw/zinc/21/13/40/1037211340.db2.gz ANNGMXCFUCLIKF-HNNXBMFYSA-N 2 2 315.288 3.952 20 0 DHADLP Cc1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000310360894 1037228159 /nfs/dbraw/zinc/22/81/59/1037228159.db2.gz KDSQLKXJDTYOQJ-GOSISDBHSA-N 2 2 324.472 3.842 20 0 DHADLP Cc1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000310360894 1037228174 /nfs/dbraw/zinc/22/81/74/1037228174.db2.gz KDSQLKXJDTYOQJ-GOSISDBHSA-N 2 2 324.472 3.842 20 0 DHADLP Cc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000310360895 1037229277 /nfs/dbraw/zinc/22/92/77/1037229277.db2.gz KDSQLKXJDTYOQJ-SFHVURJKSA-N 2 2 324.472 3.842 20 0 DHADLP Cc1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC000310360895 1037229286 /nfs/dbraw/zinc/22/92/86/1037229286.db2.gz KDSQLKXJDTYOQJ-SFHVURJKSA-N 2 2 324.472 3.842 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc3scnc3c2)c[nH+]1 ZINC001199751200 1037328593 /nfs/dbraw/zinc/32/85/93/1037328593.db2.gz MHTQXLRUENGAHS-UHFFFAOYSA-N 2 2 320.421 3.772 20 0 DHADLP C[C@@]1(C[NH2+]Cc2ccsc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397881543 1037549190 /nfs/dbraw/zinc/54/91/90/1037549190.db2.gz NAWPGFDGZMHEEU-SFHVURJKSA-N 2 2 300.471 3.892 20 0 DHADLP C[C@@]1(C[NH2+]Cc2ccsc2)CCC[N@H+]1Cc1ccccc1 ZINC000397881543 1037549207 /nfs/dbraw/zinc/54/92/07/1037549207.db2.gz NAWPGFDGZMHEEU-SFHVURJKSA-N 2 2 300.471 3.892 20 0 DHADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](CC(C)C)CC3)cs1 ZINC001201470404 1037685030 /nfs/dbraw/zinc/68/50/30/1037685030.db2.gz IEDJPHMXNGUCIL-UHFFFAOYSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](CC(C)C)CC3)cs1 ZINC001201470404 1037685036 /nfs/dbraw/zinc/68/50/36/1037685036.db2.gz IEDJPHMXNGUCIL-UHFFFAOYSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1cncc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000184272810 1037724732 /nfs/dbraw/zinc/72/47/32/1037724732.db2.gz UNPBVKKCTXNMFL-QGZVFWFLSA-N 2 2 320.440 3.528 20 0 DHADLP C[NH+]1CCC([N@H+](CCCc2ccccc2)C2CCCC2)CC1 ZINC001201671722 1037824009 /nfs/dbraw/zinc/82/40/09/1037824009.db2.gz MHNFPBKNRLOCLF-UHFFFAOYSA-N 2 2 300.490 3.958 20 0 DHADLP C[NH+]1CCC([N@@H+](CCCc2ccccc2)C2CCCC2)CC1 ZINC001201671722 1037824037 /nfs/dbraw/zinc/82/40/37/1037824037.db2.gz MHNFPBKNRLOCLF-UHFFFAOYSA-N 2 2 300.490 3.958 20 0 DHADLP CN(c1ccc([NH2+]CCc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000916847902 1037982726 /nfs/dbraw/zinc/98/27/26/1037982726.db2.gz TXDMDEFNHKOYSZ-UHFFFAOYSA-N 2 2 323.484 3.872 20 0 DHADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494411842 1038089682 /nfs/dbraw/zinc/08/96/82/1038089682.db2.gz OZKWJIMWYSLHLG-DDKJEQMHSA-N 2 2 301.821 3.544 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCC[C@@H](c3ccccc3)C1)CC2 ZINC000494432605 1038097568 /nfs/dbraw/zinc/09/75/68/1038097568.db2.gz CCVMUSCOGFRWCY-QYZOEREBSA-N 2 2 309.457 3.904 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)cc1F ZINC000571215772 1038110346 /nfs/dbraw/zinc/11/03/46/1038110346.db2.gz HUFPRMCHQWNVTO-UHFFFAOYSA-N 2 2 319.424 3.505 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)cc1F ZINC000571215772 1038110355 /nfs/dbraw/zinc/11/03/55/1038110355.db2.gz HUFPRMCHQWNVTO-UHFFFAOYSA-N 2 2 319.424 3.505 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000127054082 1038143818 /nfs/dbraw/zinc/14/38/18/1038143818.db2.gz SVGDKEYRLGLHOL-QWRGUYRKSA-N 2 2 317.246 3.579 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000572473207 1038376051 /nfs/dbraw/zinc/37/60/51/1038376051.db2.gz NHVLAXJVYLFQNY-YJBOKZPZSA-N 2 2 318.530 3.946 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000572473207 1038376062 /nfs/dbraw/zinc/37/60/62/1038376062.db2.gz NHVLAXJVYLFQNY-YJBOKZPZSA-N 2 2 318.530 3.946 20 0 DHADLP C[N@@H+]1CCCC12CC[NH+](Cc1cccc(OC(C)(C)C)c1)CC2 ZINC001192535015 1038679066 /nfs/dbraw/zinc/67/90/66/1038679066.db2.gz BGNJQAVOKHSBQT-UHFFFAOYSA-N 2 2 316.489 3.924 20 0 DHADLP C[N@H+]1CCCC12CC[NH+](Cc1cccc(OC(C)(C)C)c1)CC2 ZINC001192535015 1038679072 /nfs/dbraw/zinc/67/90/72/1038679072.db2.gz BGNJQAVOKHSBQT-UHFFFAOYSA-N 2 2 316.489 3.924 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1Cl ZINC000225260802 1038944303 /nfs/dbraw/zinc/94/43/03/1038944303.db2.gz USHRARLCXCCKKP-HNNXBMFYSA-N 2 2 309.816 3.880 20 0 DHADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CCc3cc(F)ccc3C2)c1 ZINC001168421122 1039772229 /nfs/dbraw/zinc/77/22/29/1039772229.db2.gz OLBVMDPLOKQQKI-LJQANCHMSA-N 2 2 321.399 3.878 20 0 DHADLP CC[N@H+](CCC1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973004 1039960268 /nfs/dbraw/zinc/96/02/68/1039960268.db2.gz KSZFTTGNWNWURF-UHFFFAOYSA-N 2 2 301.478 3.810 20 0 DHADLP CC[N@@H+](CCC1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973004 1039960286 /nfs/dbraw/zinc/96/02/86/1039960286.db2.gz KSZFTTGNWNWURF-UHFFFAOYSA-N 2 2 301.478 3.810 20 0 DHADLP COc1ccccc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608076392 1040367310 /nfs/dbraw/zinc/36/73/10/1040367310.db2.gz ZZXVQVODZJYVEZ-SFHVURJKSA-N 2 2 321.424 3.502 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000563779660 335006291 /nfs/dbraw/zinc/00/62/91/335006291.db2.gz XKYRQKISNGMKHN-FQEVSTJZSA-N 2 2 310.441 3.570 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000563779660 335006293 /nfs/dbraw/zinc/00/62/93/335006293.db2.gz XKYRQKISNGMKHN-FQEVSTJZSA-N 2 2 310.441 3.570 20 0 DHADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119659407 195011381 /nfs/dbraw/zinc/01/13/81/195011381.db2.gz LOKFMVOQBSLWCR-LBPRGKRZSA-N 2 2 307.507 3.852 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC(c4[nH]cc[nH+]4)CC3)[nH+]c2c1 ZINC000274115781 130206490 /nfs/dbraw/zinc/20/64/90/130206490.db2.gz ZMLMFSZSXKSRHT-UHFFFAOYSA-N 2 2 306.413 3.959 20 0 DHADLP COc1cccc2c(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc[nH+]c12 ZINC000275777595 130383315 /nfs/dbraw/zinc/38/33/15/130383315.db2.gz HQYMAXDDPSLFRV-PBHICJAKSA-N 2 2 322.412 3.527 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000285602062 131185208 /nfs/dbraw/zinc/18/52/08/131185208.db2.gz JUUFJYCHRUHPIE-GOSISDBHSA-N 2 2 323.484 3.748 20 0 DHADLP CC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccc(C)c1 ZINC000285679069 131192996 /nfs/dbraw/zinc/19/29/96/131192996.db2.gz NVYGIGSZRRGHIP-GOSISDBHSA-N 2 2 306.413 3.817 20 0 DHADLP COC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1cccc(Cl)c1F ZINC000287263902 131271775 /nfs/dbraw/zinc/27/17/75/131271775.db2.gz AOSNIDGORMETQI-MRXNPFEDSA-N 2 2 322.811 3.702 20 0 DHADLP Cc1cc[nH+]cc1CCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000289015515 131352591 /nfs/dbraw/zinc/35/25/91/131352591.db2.gz FWCZJBVXOKETSQ-UHFFFAOYSA-N 2 2 315.505 3.521 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Oc2cccnc2)cc1 ZINC000289163501 131363044 /nfs/dbraw/zinc/36/30/44/131363044.db2.gz DUYRWIJPAKDBNW-MRXNPFEDSA-N 2 2 322.412 3.811 20 0 DHADLP C[C@@H](c1ccccc1Cl)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000289584620 131397857 /nfs/dbraw/zinc/39/78/57/131397857.db2.gz HOZLHEYVDAURQQ-ZDUSSCGKSA-N 2 2 303.837 3.842 20 0 DHADLP C[C@@H](c1ccccc1Cl)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000289584620 131397859 /nfs/dbraw/zinc/39/78/59/131397859.db2.gz HOZLHEYVDAURQQ-ZDUSSCGKSA-N 2 2 303.837 3.842 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000297583867 132024416 /nfs/dbraw/zinc/02/44/16/132024416.db2.gz HHRABNIXQZCSMX-CVEARBPZSA-N 2 2 313.445 3.865 20 0 DHADLP CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000297753945 132032548 /nfs/dbraw/zinc/03/25/48/132032548.db2.gz OMIXFSACSXJGMD-LSDHHAIUSA-N 2 2 309.417 3.501 20 0 DHADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cn[nH]c1 ZINC000297921258 132040382 /nfs/dbraw/zinc/04/03/82/132040382.db2.gz XEOUSGLPYZSXPF-HOTGVXAUSA-N 2 2 312.461 3.724 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000298244146 132052652 /nfs/dbraw/zinc/05/26/52/132052652.db2.gz CSIOKVHLUJJUKD-UHFFFAOYSA-N 2 2 319.399 3.686 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000298244146 132052654 /nfs/dbraw/zinc/05/26/54/132052654.db2.gz CSIOKVHLUJJUKD-UHFFFAOYSA-N 2 2 319.399 3.686 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000298560650 132068391 /nfs/dbraw/zinc/06/83/91/132068391.db2.gz VWHSZLUVDJLSNU-AQNXPRMDSA-N 2 2 309.457 3.621 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000298560650 132068393 /nfs/dbraw/zinc/06/83/93/132068393.db2.gz VWHSZLUVDJLSNU-AQNXPRMDSA-N 2 2 309.457 3.621 20 0 DHADLP Cc1ccccc1C[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000119739129 132135675 /nfs/dbraw/zinc/13/56/75/132135675.db2.gz SINVHHZAZFVRRJ-QGZVFWFLSA-N 2 2 309.457 3.580 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468549716 335071775 /nfs/dbraw/zinc/07/17/75/335071775.db2.gz WRGDBCBJAZLEFI-AOIWGVFYSA-N 2 2 318.505 3.690 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468549716 335071776 /nfs/dbraw/zinc/07/17/76/335071776.db2.gz WRGDBCBJAZLEFI-AOIWGVFYSA-N 2 2 318.505 3.690 20 0 DHADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)c1ccc(OC)cc1 ZINC000150961704 196608815 /nfs/dbraw/zinc/60/88/15/196608815.db2.gz XFHCBUOVEGVKSV-WMZOPIPTSA-N 2 2 313.445 3.646 20 0 DHADLP CCc1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000608087801 435350022 /nfs/dbraw/zinc/35/00/22/435350022.db2.gz HADFBKOUDUHUSX-CXAGYDPISA-N 2 2 316.474 3.596 20 0 DHADLP CCc1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000608087801 435350028 /nfs/dbraw/zinc/35/00/28/435350028.db2.gz HADFBKOUDUHUSX-CXAGYDPISA-N 2 2 316.474 3.596 20 0 DHADLP COc1cccc([C@@H](C)[NH+]2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000363356274 331598635 /nfs/dbraw/zinc/59/86/35/331598635.db2.gz LJFRTGZMJBUTOE-OAHLLOKOSA-N 2 2 302.462 3.753 20 0 DHADLP CCCC(O)(CCC)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000084045436 331998962 /nfs/dbraw/zinc/99/89/62/331998962.db2.gz NUKAOEGUELJVIG-UHFFFAOYSA-N 2 2 315.461 3.602 20 0 DHADLP Clc1cccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)c1 ZINC000518265046 332002964 /nfs/dbraw/zinc/00/29/64/332002964.db2.gz OWHXSVJTCIJDHN-UHFFFAOYSA-N 2 2 324.921 3.791 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000426298210 332037190 /nfs/dbraw/zinc/03/71/90/332037190.db2.gz JGKITAUAMFJRFI-HONMWMINSA-N 2 2 310.894 3.851 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000426298210 332037192 /nfs/dbraw/zinc/03/71/92/332037192.db2.gz JGKITAUAMFJRFI-HONMWMINSA-N 2 2 310.894 3.851 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)sc1C ZINC000088590501 332055075 /nfs/dbraw/zinc/05/50/75/332055075.db2.gz QHPMQNNLDMTMHV-KRWDZBQOSA-N 2 2 321.534 3.704 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)sc1C ZINC000088590501 332055077 /nfs/dbraw/zinc/05/50/77/332055077.db2.gz QHPMQNNLDMTMHV-KRWDZBQOSA-N 2 2 321.534 3.704 20 0 DHADLP CCCCOCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000132035629 332088614 /nfs/dbraw/zinc/08/86/14/332088614.db2.gz NCFKQJFQRSBCML-INIZCTEOSA-N 2 2 301.434 3.730 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000211902957 332091862 /nfs/dbraw/zinc/09/18/62/332091862.db2.gz BHQSDPMUKLIIFG-MNOVXSKESA-N 2 2 317.246 3.579 20 0 DHADLP CCC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)OC ZINC000449378331 332094635 /nfs/dbraw/zinc/09/46/35/332094635.db2.gz QZRVTCGHDDGOOL-GOSISDBHSA-N 2 2 324.896 3.709 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000092560723 332133818 /nfs/dbraw/zinc/13/38/18/332133818.db2.gz HHISGRMQOFWPHG-MJGOQNOKSA-N 2 2 311.473 3.890 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536368742 332232841 /nfs/dbraw/zinc/23/28/41/332232841.db2.gz LGLYJXMLKPBVFG-CYBMUJFWSA-N 2 2 317.383 3.997 20 0 DHADLP CCc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000363792800 332248608 /nfs/dbraw/zinc/24/86/08/332248608.db2.gz ODMFNJSXKVTTIF-ZDUSSCGKSA-N 2 2 312.442 3.742 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000559964075 332297728 /nfs/dbraw/zinc/29/77/28/332297728.db2.gz GFFMVMXJDFWWSU-HNNXBMFYSA-N 2 2 316.470 3.926 20 0 DHADLP Fc1ccccc1[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000427844790 332538584 /nfs/dbraw/zinc/53/85/84/332538584.db2.gz DKGXZLROGOSKMU-BEFAXECRSA-N 2 2 313.420 3.858 20 0 DHADLP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427879419 332553660 /nfs/dbraw/zinc/55/36/60/332553660.db2.gz SPGIFBAVRVSASZ-KMFMINBZSA-N 2 2 315.848 3.777 20 0 DHADLP C[C@H]([NH2+]CC1Cc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000562210938 332559416 /nfs/dbraw/zinc/55/94/16/332559416.db2.gz BDFBLPMFDWUSTC-KKSFZXQISA-N 2 2 308.469 3.682 20 0 DHADLP Clc1cccc2c(N3CC[C@H](C[NH+]4CCCC4)C3)cc[nH+]c12 ZINC000570415202 332753093 /nfs/dbraw/zinc/75/30/93/332753093.db2.gz XATAWFFTOQDTQF-CQSZACIVSA-N 2 2 315.848 3.810 20 0 DHADLP C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178111128 333001799 /nfs/dbraw/zinc/00/17/99/333001799.db2.gz DOXBBWYQNIRKHM-CRAIPNDOSA-N 2 2 319.408 3.527 20 0 DHADLP CSC1(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CCC1 ZINC000313719126 333066405 /nfs/dbraw/zinc/06/64/05/333066405.db2.gz ADOOLHLVDIAPLO-QGZVFWFLSA-N 2 2 304.503 3.699 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000314122434 333088321 /nfs/dbraw/zinc/08/83/21/333088321.db2.gz FAXWHAOFZUVVCH-OCCSQVGLSA-N 2 2 316.367 3.720 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000314122434 333088322 /nfs/dbraw/zinc/08/83/22/333088322.db2.gz FAXWHAOFZUVVCH-OCCSQVGLSA-N 2 2 316.367 3.720 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+]CC1(SC)CCC1)c1ccccc1 ZINC000314546702 333142193 /nfs/dbraw/zinc/14/21/93/333142193.db2.gz RPQWOFBBALOZPE-KRWDZBQOSA-N 2 2 306.519 3.945 20 0 DHADLP Cc1ccccc1C[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000462117226 333143899 /nfs/dbraw/zinc/14/38/99/333143899.db2.gz SHSDZYVOGVFGRP-UHFFFAOYSA-N 2 2 323.465 3.927 20 0 DHADLP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000188029101 333157119 /nfs/dbraw/zinc/15/71/19/333157119.db2.gz JEPICNGUGCTAEN-KBPBESRZSA-N 2 2 306.416 3.962 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000582076816 333201778 /nfs/dbraw/zinc/20/17/78/333201778.db2.gz HUTBIFMKKFRJSJ-QAQDUYKDSA-N 2 2 301.478 3.604 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000098173200 335123666 /nfs/dbraw/zinc/12/36/66/335123666.db2.gz SAISGPHSORWHQB-GFCCVEGCSA-N 2 2 318.433 3.557 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000098173200 335123667 /nfs/dbraw/zinc/12/36/67/335123667.db2.gz SAISGPHSORWHQB-GFCCVEGCSA-N 2 2 318.433 3.557 20 0 DHADLP Cc1sccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000310020671 333216057 /nfs/dbraw/zinc/21/60/57/333216057.db2.gz RHDOUNPIDCPNPJ-KSSFIOAISA-N 2 2 300.471 3.809 20 0 DHADLP Cc1sccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000310020671 333216059 /nfs/dbraw/zinc/21/60/59/333216059.db2.gz RHDOUNPIDCPNPJ-KSSFIOAISA-N 2 2 300.471 3.809 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cncc(F)c1 ZINC000119124975 333244791 /nfs/dbraw/zinc/24/47/91/333244791.db2.gz FROJUIMFZFWSCX-KXBFYZLASA-N 2 2 313.420 3.536 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cncc(F)c1 ZINC000119124975 333244792 /nfs/dbraw/zinc/24/47/92/333244792.db2.gz FROJUIMFZFWSCX-KXBFYZLASA-N 2 2 313.420 3.536 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261927470 333290332 /nfs/dbraw/zinc/29/03/32/333290332.db2.gz IZMCUSINRBRJMG-JSGCOSHPSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261927470 333290334 /nfs/dbraw/zinc/29/03/34/333290334.db2.gz IZMCUSINRBRJMG-JSGCOSHPSA-N 2 2 319.836 3.554 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000502722349 333305550 /nfs/dbraw/zinc/30/55/50/333305550.db2.gz NOGJYGPQUAQFTK-WDSOQIARSA-N 2 2 318.505 3.911 20 0 DHADLP Cc1ccc([C@@H](CNc2cc[nH+]c(C(C)C)n2)[NH+]2CCCC2)o1 ZINC000110474173 333327073 /nfs/dbraw/zinc/32/70/73/333327073.db2.gz WLBDKSFEWOBGAR-OAHLLOKOSA-N 2 2 314.433 3.750 20 0 DHADLP Clc1ccc(OCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000531427647 333351490 /nfs/dbraw/zinc/35/14/90/333351490.db2.gz YLCSWIYWKFLFGG-UHFFFAOYSA-N 2 2 319.836 3.712 20 0 DHADLP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000583467820 333360048 /nfs/dbraw/zinc/36/00/48/333360048.db2.gz VOASWDKIMHCOHC-HBFSDRIKSA-N 2 2 300.490 3.814 20 0 DHADLP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000583467820 333360049 /nfs/dbraw/zinc/36/00/49/333360049.db2.gz VOASWDKIMHCOHC-HBFSDRIKSA-N 2 2 300.490 3.814 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000261933428 333391517 /nfs/dbraw/zinc/39/15/17/333391517.db2.gz KAVANIYDBMNVGX-INIZCTEOSA-N 2 2 319.836 3.698 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000261933428 333391518 /nfs/dbraw/zinc/39/15/18/333391518.db2.gz KAVANIYDBMNVGX-INIZCTEOSA-N 2 2 319.836 3.698 20 0 DHADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390839535 333398485 /nfs/dbraw/zinc/39/84/85/333398485.db2.gz BOIXEFDAGAVZBZ-LJQANCHMSA-N 2 2 312.457 3.978 20 0 DHADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390839535 333398486 /nfs/dbraw/zinc/39/84/86/333398486.db2.gz BOIXEFDAGAVZBZ-LJQANCHMSA-N 2 2 312.457 3.978 20 0 DHADLP C[C@@H](C[NH2+]Cc1nc(-c2ccccc2)cs1)C[NH+]1CCCC1 ZINC000066241779 333447196 /nfs/dbraw/zinc/44/71/96/333447196.db2.gz LVOOEXUVXSPQNM-HNNXBMFYSA-N 2 2 315.486 3.632 20 0 DHADLP C[C@](Cc1ccccc1)([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000412094572 333728926 /nfs/dbraw/zinc/72/89/26/333728926.db2.gz KQGLNGRCQXPTPY-HXUWFJFHSA-N 2 2 305.425 3.631 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414061583 333889170 /nfs/dbraw/zinc/88/91/70/333889170.db2.gz KMMKCYSXLYCJTN-UNEWFSDZSA-N 2 2 303.837 3.851 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000414126312 333899032 /nfs/dbraw/zinc/89/90/32/333899032.db2.gz OCIBVSUQPHVYLY-GOSISDBHSA-N 2 2 301.409 3.623 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000414128717 333899448 /nfs/dbraw/zinc/89/94/48/333899448.db2.gz SLKINPKVPFOFPV-DOTOQJQBSA-N 2 2 317.864 3.932 20 0 DHADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc2cc(OC)ccc2c1 ZINC000414140053 333901877 /nfs/dbraw/zinc/90/18/77/333901877.db2.gz IQQZXIMNGSMFBM-FQEVSTJZSA-N 2 2 323.440 3.865 20 0 DHADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC(F)(F)F ZINC000414279741 333932795 /nfs/dbraw/zinc/93/27/95/333932795.db2.gz JTJKBKCQDVXMKG-JTQLQIEISA-N 2 2 320.321 3.581 20 0 DHADLP CCC(CC)[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccs1 ZINC000414309333 333937012 /nfs/dbraw/zinc/93/70/12/333937012.db2.gz UUNASZXJENSSDC-INIZCTEOSA-N 2 2 320.506 3.815 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH+]1CCC(c3c[nH]c[nH+]3)CC1)CC2 ZINC000343434932 335164269 /nfs/dbraw/zinc/16/42/69/335164269.db2.gz WWSLVWQJVFSWBZ-KRWDZBQOSA-N 2 2 301.821 3.930 20 0 DHADLP Cn1c2ccccc2[nH+]c1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000270604082 334014955 /nfs/dbraw/zinc/01/49/55/334014955.db2.gz WNIGCJXHZHWSPW-UHFFFAOYSA-N 2 2 321.428 3.571 20 0 DHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccc(Cl)cc21 ZINC000343534285 335175824 /nfs/dbraw/zinc/17/58/24/335175824.db2.gz IOHPDQBQOCZQNM-SJLPKXTDSA-N 2 2 315.848 3.997 20 0 DHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCc2ccc(Cl)cc21 ZINC000343534285 335175826 /nfs/dbraw/zinc/17/58/26/335175826.db2.gz IOHPDQBQOCZQNM-SJLPKXTDSA-N 2 2 315.848 3.997 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])CC(C)C)cs2)cc1 ZINC000414835176 334111406 /nfs/dbraw/zinc/11/14/06/334111406.db2.gz HGHDKCBAPHWUOZ-HNNXBMFYSA-N 2 2 303.475 3.582 20 0 DHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414837266 334111618 /nfs/dbraw/zinc/11/16/18/334111618.db2.gz JJUHVVYDFDARPT-AHRSYUTCSA-N 3 2 321.553 3.527 20 0 DHADLP [NH3+]C1(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CCCCC1 ZINC000414847564 334119680 /nfs/dbraw/zinc/11/96/80/334119680.db2.gz VDSBLACLHZOBFN-UHFFFAOYSA-N 2 2 319.449 3.700 20 0 DHADLP CCC[NH2+]CC[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000414868105 334140209 /nfs/dbraw/zinc/14/02/09/334140209.db2.gz HHVISVMJISFFHV-UHFFFAOYSA-N 2 2 308.372 3.530 20 0 DHADLP Clc1cccc(Cl)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414871227 334142595 /nfs/dbraw/zinc/14/25/95/334142595.db2.gz DHGJIOLSIYIRJE-UHFFFAOYSA-N 2 2 324.255 3.658 20 0 DHADLP Clc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000414877697 334148313 /nfs/dbraw/zinc/14/83/13/334148313.db2.gz MPKDDZSFCIWLCY-UHFFFAOYSA-N 2 2 324.255 3.658 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(O)c1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000293156171 334195918 /nfs/dbraw/zinc/19/59/18/334195918.db2.gz FFUHTYNXQSXLMG-DZGCQCFKSA-N 2 2 322.880 3.788 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(O)c1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000293156171 334195920 /nfs/dbraw/zinc/19/59/20/334195920.db2.gz FFUHTYNXQSXLMG-DZGCQCFKSA-N 2 2 322.880 3.788 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000414948611 334206203 /nfs/dbraw/zinc/20/62/03/334206203.db2.gz MJXCPNVUJCLIJW-YOEHRIQHSA-N 2 2 322.424 3.570 20 0 DHADLP COc1ccccc1[C@H]([NH2+][C@H](C)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000415083478 334272506 /nfs/dbraw/zinc/27/25/06/334272506.db2.gz FOWOCWZYDXZGOX-HGHGUNKESA-N 2 2 324.468 3.905 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ccccc2OC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000294874128 334214031 /nfs/dbraw/zinc/21/40/31/334214031.db2.gz DNAHANXJXBJTRF-YJBOKZPZSA-N 2 2 311.429 3.507 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ccccc2OC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000294874128 334214032 /nfs/dbraw/zinc/21/40/32/334214032.db2.gz DNAHANXJXBJTRF-YJBOKZPZSA-N 2 2 311.429 3.507 20 0 DHADLP CSCC1CCC([NH2+]Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000295116630 334218796 /nfs/dbraw/zinc/21/87/96/334218796.db2.gz VYEPHHCYWFDQMJ-UHFFFAOYSA-N 2 2 303.475 3.654 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc2cccnc21 ZINC000415064103 334262327 /nfs/dbraw/zinc/26/23/27/334262327.db2.gz JSKXGHSNZZVLJI-IBGZPJMESA-N 2 2 305.425 3.587 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]CCCCOc1ccccc1 ZINC000415064119 334262357 /nfs/dbraw/zinc/26/23/57/334262357.db2.gz JUVSGENXDMBYMD-FQEVSTJZSA-N 2 2 312.457 3.698 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000415067465 334262670 /nfs/dbraw/zinc/26/26/70/334262670.db2.gz PLQMZFYAOAZHTB-IBGZPJMESA-N 2 2 316.489 3.578 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000430559726 334285691 /nfs/dbraw/zinc/28/56/91/334285691.db2.gz XPXYJNQCOBUVGS-QWHCGFSZSA-N 2 2 319.449 3.508 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000430559726 334285693 /nfs/dbraw/zinc/28/56/93/334285693.db2.gz XPXYJNQCOBUVGS-QWHCGFSZSA-N 2 2 319.449 3.508 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534860519 334341650 /nfs/dbraw/zinc/34/16/50/334341650.db2.gz ICJPGNVUUNFWKH-CYBMUJFWSA-N 2 2 317.383 3.997 20 0 DHADLP CC(C)[NH2+]C1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000534881308 334343364 /nfs/dbraw/zinc/34/33/64/334343364.db2.gz YBRCQDKVSSKTET-UHFFFAOYSA-N 2 2 304.482 3.690 20 0 DHADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H](C)CCc2ccccc2)CC1 ZINC000534975596 334351443 /nfs/dbraw/zinc/35/14/43/334351443.db2.gz GKJBWGLVGNXAJC-SFHVURJKSA-N 2 2 309.457 3.533 20 0 DHADLP Clc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)s1 ZINC000341515791 334450157 /nfs/dbraw/zinc/45/01/57/334450157.db2.gz NZYIBVLRZLWMES-UHFFFAOYSA-N 2 2 321.877 3.551 20 0 DHADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000341759228 334477895 /nfs/dbraw/zinc/47/78/95/334477895.db2.gz GTOCQOGFAWFORT-SFHVURJKSA-N 2 2 313.420 3.568 20 0 DHADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC1(C)C ZINC000417323744 334708525 /nfs/dbraw/zinc/70/85/25/334708525.db2.gz OYTRKAXZZMRRKI-RTBURBONSA-N 2 2 315.505 3.850 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)o1 ZINC000343268417 334886092 /nfs/dbraw/zinc/88/60/92/334886092.db2.gz DQADVGVKXTXKMW-ZDUSSCGKSA-N 2 2 313.376 3.769 20 0 DHADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000343873326 335199250 /nfs/dbraw/zinc/19/92/50/335199250.db2.gz UVCRLSFDZQYUSX-JCURWCKSSA-N 2 2 324.415 3.595 20 0 DHADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000343873326 335199251 /nfs/dbraw/zinc/19/92/51/335199251.db2.gz UVCRLSFDZQYUSX-JCURWCKSSA-N 2 2 324.415 3.595 20 0 DHADLP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C1(C)C ZINC000344120506 335219276 /nfs/dbraw/zinc/21/92/76/335219276.db2.gz ZWDCZJSQCGZUOQ-BRWVUGGUSA-N 2 2 319.493 3.642 20 0 DHADLP CCC1(CC)[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1OC ZINC000344111091 335224239 /nfs/dbraw/zinc/22/42/39/335224239.db2.gz UJSWDRRGABRILT-MSOLQXFVSA-N 2 2 313.445 3.556 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H]3CC[C@@H]4CCC[C@H]4C3)c2)c[nH+]1 ZINC000344195348 335229217 /nfs/dbraw/zinc/22/92/17/335229217.db2.gz IVDAARDOKWWEQV-SOUVJXGZSA-N 2 2 301.459 3.992 20 0 DHADLP CC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)Cc2ccccc2C1 ZINC000344310304 335239814 /nfs/dbraw/zinc/23/98/14/335239814.db2.gz VMFLXRKVNSNRTJ-UHFFFAOYSA-N 2 2 309.438 3.581 20 0 DHADLP Cc1[nH+]cc(C[NH2+]Cc2cccc3cc[nH]c32)n1-c1ccccc1 ZINC000344576754 335259426 /nfs/dbraw/zinc/25/94/26/335259426.db2.gz IAPREUGTYTZVNH-UHFFFAOYSA-N 2 2 316.408 3.952 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc3cc(F)ccc3o1)CCC2 ZINC000344546629 335260874 /nfs/dbraw/zinc/26/08/74/335260874.db2.gz UUVLQBWUUMGJNI-ZDUSSCGKSA-N 2 2 313.376 3.744 20 0 DHADLP COC1CCC(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000344607724 335263477 /nfs/dbraw/zinc/26/34/77/335263477.db2.gz XBQDZWDZEGTWHB-YMPIPDKKSA-N 2 2 316.489 3.617 20 0 DHADLP COC1CCC(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000344607724 335263478 /nfs/dbraw/zinc/26/34/78/335263478.db2.gz XBQDZWDZEGTWHB-YMPIPDKKSA-N 2 2 316.489 3.617 20 0 DHADLP CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344724310 335271591 /nfs/dbraw/zinc/27/15/91/335271591.db2.gz QUXYXUWYEGIZKX-AWEZNQCLSA-N 2 2 314.433 3.526 20 0 DHADLP CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344724310 335271592 /nfs/dbraw/zinc/27/15/92/335271592.db2.gz QUXYXUWYEGIZKX-AWEZNQCLSA-N 2 2 314.433 3.526 20 0 DHADLP COc1ccc2ccccc2c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366892217 335312397 /nfs/dbraw/zinc/31/23/97/335312397.db2.gz ZFXDLAMCMMTIIL-UHFFFAOYSA-N 2 2 324.468 3.955 20 0 DHADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cnn1C(C)C ZINC000345312601 335316433 /nfs/dbraw/zinc/31/64/33/335316433.db2.gz MEVNOCIXLQHUBB-OAHLLOKOSA-N 2 2 323.444 3.809 20 0 DHADLP Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346180859 335378697 /nfs/dbraw/zinc/37/86/97/335378697.db2.gz QUUGWVDKQKEDTM-QGZVFWFLSA-N 2 2 312.442 3.609 20 0 DHADLP Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346180859 335378698 /nfs/dbraw/zinc/37/86/98/335378698.db2.gz QUUGWVDKQKEDTM-QGZVFWFLSA-N 2 2 312.442 3.609 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H](C)[C@@H]3C)sc2C1 ZINC000346163692 335384000 /nfs/dbraw/zinc/38/40/00/335384000.db2.gz CASOKWAEWGZLGG-KBPBESRZSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H](C)[C@@H]3C)sc2C1 ZINC000346163692 335384002 /nfs/dbraw/zinc/38/40/02/335384002.db2.gz CASOKWAEWGZLGG-KBPBESRZSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H](C)[C@@H]3C)sc2C1 ZINC000346163692 335384003 /nfs/dbraw/zinc/38/40/03/335384003.db2.gz CASOKWAEWGZLGG-KBPBESRZSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H](C)[C@@H]3C)sc2C1 ZINC000346163692 335384005 /nfs/dbraw/zinc/38/40/05/335384005.db2.gz CASOKWAEWGZLGG-KBPBESRZSA-N 2 2 307.507 3.530 20 0 DHADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc2cccnc12 ZINC000346185699 335384105 /nfs/dbraw/zinc/38/41/05/335384105.db2.gz VMGCBGKIJCCVDG-QGZVFWFLSA-N 2 2 306.413 3.646 20 0 DHADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc2cccnc12 ZINC000346185699 335384107 /nfs/dbraw/zinc/38/41/07/335384107.db2.gz VMGCBGKIJCCVDG-QGZVFWFLSA-N 2 2 306.413 3.646 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000346308080 335398549 /nfs/dbraw/zinc/39/85/49/335398549.db2.gz LAFFCQFAFQRSNL-CQSZACIVSA-N 2 2 321.827 3.691 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000346308080 335398551 /nfs/dbraw/zinc/39/85/51/335398551.db2.gz LAFFCQFAFQRSNL-CQSZACIVSA-N 2 2 321.827 3.691 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000346635992 335429975 /nfs/dbraw/zinc/42/99/75/335429975.db2.gz KITVTRYWYJZMMA-FQEVSTJZSA-N 2 2 321.399 3.846 20 0 DHADLP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000346937925 335451540 /nfs/dbraw/zinc/45/15/40/335451540.db2.gz GZMIHGHIPVLWEF-MAUKXSAKSA-N 2 2 303.409 3.863 20 0 DHADLP C[C@H]([NH2+]CCCC1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000347247653 335478267 /nfs/dbraw/zinc/47/82/67/335478267.db2.gz XDWBZWZQJRJREY-INIZCTEOSA-N 2 2 313.445 3.730 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCCOc1ccc(F)cc1 ZINC000347906321 335533139 /nfs/dbraw/zinc/53/31/39/335533139.db2.gz JOLJJWUTGZOQQX-UHFFFAOYSA-N 2 2 302.393 3.520 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000348753270 335606050 /nfs/dbraw/zinc/60/60/50/335606050.db2.gz IHOSLHIHFFDDRE-HUUCEWRRSA-N 2 2 322.412 3.688 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C/C=C\c1ccc(F)cc1F)CCC2 ZINC000350050929 335721465 /nfs/dbraw/zinc/72/14/65/335721465.db2.gz SNRUWGYEKRXVLI-NSRYLSIASA-N 2 2 317.383 3.650 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C/C=C/c1ccc(F)cc1F)CCC2 ZINC000350050932 335721596 /nfs/dbraw/zinc/72/15/96/335721596.db2.gz SNRUWGYEKRXVLI-OMDKTOEGSA-N 2 2 317.383 3.650 20 0 DHADLP CCCOc1cccc2c(NCCCn3cc[nH+]c3)cc[nH+]c12 ZINC000350312868 335743631 /nfs/dbraw/zinc/74/36/31/335743631.db2.gz VAMWUDFMNBCLAO-UHFFFAOYSA-N 2 2 310.401 3.722 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1 ZINC000530222998 335956745 /nfs/dbraw/zinc/95/67/45/335956745.db2.gz SKRYOPXSRKLERG-HUUCEWRRSA-N 2 2 323.278 3.774 20 0 DHADLP Fc1ccc(Cl)cc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351541542 336041702 /nfs/dbraw/zinc/04/17/02/336041702.db2.gz AIJINVXRYVOKGC-UHFFFAOYSA-N 2 2 316.767 3.731 20 0 DHADLP Clc1csc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351562943 336044063 /nfs/dbraw/zinc/04/40/63/336044063.db2.gz DTHOLWHWPXQJCJ-UHFFFAOYSA-N 2 2 304.806 3.653 20 0 DHADLP CCc1nocc1C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000351728133 336062572 /nfs/dbraw/zinc/06/25/72/336062572.db2.gz AQBKSXLEWUUFRE-INIZCTEOSA-N 2 2 324.428 3.560 20 0 DHADLP CCc1nocc1C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000351728133 336062573 /nfs/dbraw/zinc/06/25/73/336062573.db2.gz AQBKSXLEWUUFRE-INIZCTEOSA-N 2 2 324.428 3.560 20 0 DHADLP Cc1ccc(-c2csc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)n2)cc1 ZINC000351754911 336065337 /nfs/dbraw/zinc/06/53/37/336065337.db2.gz GJPQQPKTXMNOLE-OAHLLOKOSA-N 2 2 315.486 3.502 20 0 DHADLP Cc1ccc(-c2csc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)n2)cc1 ZINC000351754911 336065338 /nfs/dbraw/zinc/06/53/38/336065338.db2.gz GJPQQPKTXMNOLE-OAHLLOKOSA-N 2 2 315.486 3.502 20 0 DHADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000352245184 336206392 /nfs/dbraw/zinc/20/63/92/336206392.db2.gz DSDOBUGTRWMCNF-NSHDSACASA-N 2 2 309.866 3.709 20 0 DHADLP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])sc1Br ZINC000352526702 336222736 /nfs/dbraw/zinc/22/27/36/336222736.db2.gz QRYPIECTLJNZRR-NSHDSACASA-N 2 2 317.296 3.522 20 0 DHADLP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])sc1Br ZINC000352526702 336222737 /nfs/dbraw/zinc/22/27/37/336222737.db2.gz QRYPIECTLJNZRR-NSHDSACASA-N 2 2 317.296 3.522 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)s1 ZINC000352726506 336232662 /nfs/dbraw/zinc/23/26/62/336232662.db2.gz UCQJJWYQJPPNBH-LLVKDONJSA-N 2 2 309.504 3.734 20 0 DHADLP CCc1ccc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000352734336 336232989 /nfs/dbraw/zinc/23/29/89/336232989.db2.gz WWKCDPFVPQIBHA-OAQYLSRUSA-N 2 2 323.484 3.788 20 0 DHADLP CCc1ccc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000352734336 336232990 /nfs/dbraw/zinc/23/29/90/336232990.db2.gz WWKCDPFVPQIBHA-OAQYLSRUSA-N 2 2 323.484 3.788 20 0 DHADLP CSc1cc(C)ccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352748053 336234536 /nfs/dbraw/zinc/23/45/36/336234536.db2.gz GVHZLYPBDFKZQH-UHFFFAOYSA-N 2 2 321.515 3.525 20 0 DHADLP CCc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000352754834 336235132 /nfs/dbraw/zinc/23/51/32/336235132.db2.gz KDQZXPRBRXDMKR-OAHLLOKOSA-N 2 2 306.413 3.681 20 0 DHADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1 ZINC000532459449 336248450 /nfs/dbraw/zinc/24/84/50/336248450.db2.gz SJBKNPWJFKAMEW-DLBZAZTESA-N 2 2 304.478 3.509 20 0 DHADLP C[C@@H]1CC[N@H+](CCSCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000192692428 336258459 /nfs/dbraw/zinc/25/84/59/336258459.db2.gz GKTVIPPOPIDUPC-AEFFLSMTSA-N 2 2 315.486 3.699 20 0 DHADLP C[C@@H]1CC[N@@H+](CCSCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000192692428 336258460 /nfs/dbraw/zinc/25/84/60/336258460.db2.gz GKTVIPPOPIDUPC-AEFFLSMTSA-N 2 2 315.486 3.699 20 0 DHADLP c1c(CC[NH2+]C2CCC3(CCCC3)CC2)[nH+]c2n1CCCC2 ZINC000352852381 336279928 /nfs/dbraw/zinc/27/99/28/336279928.db2.gz JTFRRXDIJQFNED-UHFFFAOYSA-N 2 2 301.478 3.855 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000301227294 336295703 /nfs/dbraw/zinc/29/57/03/336295703.db2.gz FPCCXUFBPPSPBI-OAHLLOKOSA-N 2 2 310.445 3.629 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000301227294 336295704 /nfs/dbraw/zinc/29/57/04/336295704.db2.gz FPCCXUFBPPSPBI-OAHLLOKOSA-N 2 2 310.445 3.629 20 0 DHADLP Cc1cc(NCc2cccc(C[NH+]3CCCCCC3)c2)nc[nH+]1 ZINC000301272524 336297977 /nfs/dbraw/zinc/29/79/77/336297977.db2.gz VRKKZXAFXNXCNW-UHFFFAOYSA-N 2 2 310.445 3.773 20 0 DHADLP CC(C)c1nc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc[nH+]1 ZINC000301287181 336298907 /nfs/dbraw/zinc/29/89/07/336298907.db2.gz OWKLILCCVUAMGE-IRXDYDNUSA-N 2 2 316.493 3.691 20 0 DHADLP CC(C)c1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc[nH+]1 ZINC000301287181 336298908 /nfs/dbraw/zinc/29/89/08/336298908.db2.gz OWKLILCCVUAMGE-IRXDYDNUSA-N 2 2 316.493 3.691 20 0 DHADLP Clc1c[nH+]ccc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000301541719 336313546 /nfs/dbraw/zinc/31/35/46/336313546.db2.gz VOIZBZCOBAKIIS-UHFFFAOYSA-N 2 2 311.882 3.509 20 0 DHADLP Fc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000301600341 336317545 /nfs/dbraw/zinc/31/75/45/336317545.db2.gz UYSNMQQWEIUZAI-UHFFFAOYSA-N 2 2 319.811 3.586 20 0 DHADLP Fc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000301600341 336317546 /nfs/dbraw/zinc/31/75/46/336317546.db2.gz UYSNMQQWEIUZAI-UHFFFAOYSA-N 2 2 319.811 3.586 20 0 DHADLP COc1ccccc1[C@@H](CNc1cc(C)cc[nH+]1)[NH+]1CCCC1 ZINC000301647042 336320464 /nfs/dbraw/zinc/32/04/64/336320464.db2.gz PXJJTPDZUPBDAP-QGZVFWFLSA-N 2 2 311.429 3.648 20 0 DHADLP CN(CCCn1cc[nH+]c1)c1cc[nH+]c2ccc(Cl)cc21 ZINC000301696348 336324004 /nfs/dbraw/zinc/32/40/04/336324004.db2.gz NBHSOOARZXPKDN-UHFFFAOYSA-N 2 2 300.793 3.611 20 0 DHADLP CCc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c2ccccc2[nH+]1 ZINC000301770484 336328746 /nfs/dbraw/zinc/32/87/46/336328746.db2.gz KJUGQJUKTYTKQE-MRXNPFEDSA-N 2 2 318.424 3.883 20 0 DHADLP Clc1ccc2[nH+]ccc(N[C@@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000301778133 336329182 /nfs/dbraw/zinc/32/91/82/336329182.db2.gz PTNPHVPXXABVTJ-CQSZACIVSA-N 2 2 324.815 3.974 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000301787731 336329775 /nfs/dbraw/zinc/32/97/75/336329775.db2.gz PLBJCJZKQCXBSZ-XLIONFOSSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000301787731 336329776 /nfs/dbraw/zinc/32/97/76/336329776.db2.gz PLBJCJZKQCXBSZ-XLIONFOSSA-N 2 2 321.468 3.996 20 0 DHADLP Clc1ccc2c(N[C@@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c2c1 ZINC000301787601 336329807 /nfs/dbraw/zinc/32/98/07/336329807.db2.gz XFWKLSQLYAKJDE-CQSZACIVSA-N 2 2 324.815 3.974 20 0 DHADLP CC(C)c1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)nc(C(C)C)[nH+]1 ZINC000301846526 336333721 /nfs/dbraw/zinc/33/37/21/336333721.db2.gz AXUHXMQJTYDVEZ-DOTOQJQBSA-N 2 2 316.493 3.644 20 0 DHADLP CC(C)c1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)nc(C(C)C)[nH+]1 ZINC000301846526 336333722 /nfs/dbraw/zinc/33/37/22/336333722.db2.gz AXUHXMQJTYDVEZ-DOTOQJQBSA-N 2 2 316.493 3.644 20 0 DHADLP CC(C)c1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000301852300 336334185 /nfs/dbraw/zinc/33/41/85/336334185.db2.gz GJXDSZDHWSHVSC-UONOGXRCSA-N 2 2 302.466 3.761 20 0 DHADLP CC(C)c1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000301852300 336334186 /nfs/dbraw/zinc/33/41/86/336334186.db2.gz GJXDSZDHWSHVSC-UONOGXRCSA-N 2 2 302.466 3.761 20 0 DHADLP Cc1nc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c(C)c(C)[nH+]1 ZINC000301892070 336336570 /nfs/dbraw/zinc/33/65/70/336336570.db2.gz VMYYZHUYUNRITF-UHFFFAOYSA-N 2 2 307.401 3.910 20 0 DHADLP CCCC[NH+]1CCC(Nc2cc[nH+]c3c(OC)cccc23)CC1 ZINC000302450968 336359104 /nfs/dbraw/zinc/35/91/04/336359104.db2.gz PEPFQGQCQBSCKW-UHFFFAOYSA-N 2 2 313.445 3.920 20 0 DHADLP Cc1cccc(CCC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000352904702 336375632 /nfs/dbraw/zinc/37/56/32/336375632.db2.gz VTFPCZQFYFLRKI-NQIIRXRSSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cccc(CCC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000352904702 336375633 /nfs/dbraw/zinc/37/56/33/336375633.db2.gz VTFPCZQFYFLRKI-NQIIRXRSSA-N 2 2 323.484 3.575 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c(Cl)oc4ccccc43)[C@H]2C1 ZINC000352930256 336377950 /nfs/dbraw/zinc/37/79/50/336377950.db2.gz JQOOBEMIMYMHFS-DOMZBBRYSA-N 2 2 304.821 3.612 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c(Cl)oc4ccccc43)[C@H]2C1 ZINC000352930256 336377951 /nfs/dbraw/zinc/37/79/51/336377951.db2.gz JQOOBEMIMYMHFS-DOMZBBRYSA-N 2 2 304.821 3.612 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c(Cl)oc4ccccc43)[C@H]2C1 ZINC000352930256 336377952 /nfs/dbraw/zinc/37/79/52/336377952.db2.gz JQOOBEMIMYMHFS-DOMZBBRYSA-N 2 2 304.821 3.612 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c(Cl)oc4ccccc43)[C@H]2C1 ZINC000352930256 336377953 /nfs/dbraw/zinc/37/79/53/336377953.db2.gz JQOOBEMIMYMHFS-DOMZBBRYSA-N 2 2 304.821 3.612 20 0 DHADLP CCC(CC)[N@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000514629195 336386354 /nfs/dbraw/zinc/38/63/54/336386354.db2.gz ZNCUAIYYCDFTTL-KRWDZBQOSA-N 2 2 317.477 3.525 20 0 DHADLP CCC(CC)[N@@H+](CC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000514629195 336386355 /nfs/dbraw/zinc/38/63/55/336386355.db2.gz ZNCUAIYYCDFTTL-KRWDZBQOSA-N 2 2 317.477 3.525 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3COC(C)(C)C3)ccc2n1C1CC1 ZINC000418040161 336397848 /nfs/dbraw/zinc/39/78/48/336397848.db2.gz IMQOGAREHSNLLW-AWEZNQCLSA-N 2 2 313.445 3.591 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc(C)c1O ZINC000564005755 336398974 /nfs/dbraw/zinc/39/89/74/336398974.db2.gz QTPQLBAJTRPRIA-XLIONFOSSA-N 2 2 324.468 3.934 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc(C)c1O ZINC000564005755 336398975 /nfs/dbraw/zinc/39/89/75/336398975.db2.gz QTPQLBAJTRPRIA-XLIONFOSSA-N 2 2 324.468 3.934 20 0 DHADLP FCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000353399814 336415348 /nfs/dbraw/zinc/41/53/48/336415348.db2.gz DJXKJBJKTFQJOV-ZWKOTPCHSA-N 2 2 301.409 3.549 20 0 DHADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000353440069 336418023 /nfs/dbraw/zinc/41/80/23/336418023.db2.gz YVSVXEBYAMSEPV-CQSZACIVSA-N 2 2 313.323 3.523 20 0 DHADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000353913479 336447442 /nfs/dbraw/zinc/44/74/42/336447442.db2.gz IURQLPZVEPZARB-OAHLLOKOSA-N 2 2 311.429 3.632 20 0 DHADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000353935459 336449959 /nfs/dbraw/zinc/44/99/59/336449959.db2.gz ZSGFQOKYLLDWBZ-SJORKVTESA-N 2 2 315.461 3.530 20 0 DHADLP Cc1ccc(CCC[NH2+]CCCn2ccc3ccccc32)c[nH+]1 ZINC000354159615 336461849 /nfs/dbraw/zinc/46/18/49/336461849.db2.gz DQKBBGWTDHACCB-UHFFFAOYSA-N 2 2 307.441 3.957 20 0 DHADLP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000358239529 336618827 /nfs/dbraw/zinc/61/88/27/336618827.db2.gz PCSWQDPJVFDMTD-DNVCBOLYSA-N 2 2 313.445 3.728 20 0 DHADLP COC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(C)C ZINC000358351869 336625576 /nfs/dbraw/zinc/62/55/76/336625576.db2.gz LVUCJNGZOYEDCQ-MOPGFXCFSA-N 2 2 315.461 3.502 20 0 DHADLP CCSCC[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000358668918 336638933 /nfs/dbraw/zinc/63/89/33/336638933.db2.gz UBPXGKXNWKFJQD-LBPRGKRZSA-N 2 2 312.445 3.525 20 0 DHADLP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000358952144 336649235 /nfs/dbraw/zinc/64/92/35/336649235.db2.gz YPBFTPCHNANWDB-INIZCTEOSA-N 2 2 323.278 3.512 20 0 DHADLP CCSCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000359784267 336687543 /nfs/dbraw/zinc/68/75/43/336687543.db2.gz CIFYEYBWQQUHSL-QGZVFWFLSA-N 2 2 303.475 3.584 20 0 DHADLP Cc1[nH+]cc(C[NH+]2CC(c3ccccc3F)C2)n1-c1ccccc1 ZINC000361009044 336732820 /nfs/dbraw/zinc/73/28/20/336732820.db2.gz IRXKBGBLJXIAAK-UHFFFAOYSA-N 2 2 321.399 3.919 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H]2CCOc3c(F)ccc(F)c32)c[nH+]1 ZINC000361229079 336745314 /nfs/dbraw/zinc/74/53/14/336745314.db2.gz PQHBNYYGNWPSQG-INIZCTEOSA-N 2 2 318.367 3.714 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000115624246 336825691 /nfs/dbraw/zinc/82/56/91/336825691.db2.gz DVLWETWYKDJANK-DYVFJYSZSA-N 2 2 316.420 3.894 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000369289429 336861751 /nfs/dbraw/zinc/86/17/51/336861751.db2.gz AEHNHCNXNMOWCY-FQEVSTJZSA-N 2 2 309.457 3.555 20 0 DHADLP CC(C)c1cc(N2CCC[C@H]([NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000369365510 336863476 /nfs/dbraw/zinc/86/34/76/336863476.db2.gz CFTKZTUYUZEWQF-HNNXBMFYSA-N 2 2 304.482 3.644 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(OC)cc1 ZINC000370681624 336891085 /nfs/dbraw/zinc/89/10/85/336891085.db2.gz IOWGFJCLKPMSTA-AEFFLSMTSA-N 2 2 313.445 3.818 20 0 DHADLP CCCC[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373480995 336961858 /nfs/dbraw/zinc/96/18/58/336961858.db2.gz CVCJZHDCLKULBK-GRTSSRMGSA-N 2 2 306.416 3.960 20 0 DHADLP CCC(CC)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373483619 336961956 /nfs/dbraw/zinc/96/19/56/336961956.db2.gz JRJZACWIADIEBB-UHFFFAOYSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1OC(F)F ZINC000373521677 336963650 /nfs/dbraw/zinc/96/36/50/336963650.db2.gz KXERYFSIKMTBLW-WLYUNCDWSA-N 2 2 324.415 3.956 20 0 DHADLP c1csc(-c2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)no2)c1 ZINC000374202010 336983703 /nfs/dbraw/zinc/98/37/03/336983703.db2.gz YMNZZSVDMFGVOZ-UHFFFAOYSA-N 2 2 314.414 3.506 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)o1 ZINC000374269969 336985357 /nfs/dbraw/zinc/98/53/57/336985357.db2.gz KGWCANQQEGSUJG-KSSFIOAISA-N 2 2 302.462 3.900 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375011644 337001500 /nfs/dbraw/zinc/00/15/00/337001500.db2.gz GTUOHJCWKFIICX-SFHVURJKSA-N 2 2 323.484 3.782 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375011644 337001501 /nfs/dbraw/zinc/00/15/01/337001501.db2.gz GTUOHJCWKFIICX-SFHVURJKSA-N 2 2 323.484 3.782 20 0 DHADLP C[N@H+](CCC1CCCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375016219 337001699 /nfs/dbraw/zinc/00/16/99/337001699.db2.gz YBGUPHGJIQBYRN-UHFFFAOYSA-N 2 2 315.505 3.601 20 0 DHADLP C[N@@H+](CCC1CCCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375016219 337001700 /nfs/dbraw/zinc/00/17/00/337001700.db2.gz YBGUPHGJIQBYRN-UHFFFAOYSA-N 2 2 315.505 3.601 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000376460141 337033960 /nfs/dbraw/zinc/03/39/60/337033960.db2.gz WCHJIKIWUCBERW-QGZVFWFLSA-N 2 2 324.453 3.974 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000376460141 337033961 /nfs/dbraw/zinc/03/39/61/337033961.db2.gz WCHJIKIWUCBERW-QGZVFWFLSA-N 2 2 324.453 3.974 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1ncc(-c3ccccc3)o1)C2 ZINC000376489267 337034763 /nfs/dbraw/zinc/03/47/63/337034763.db2.gz CLYVXLFOBGOYCT-HOCLYGCPSA-N 2 2 322.412 3.512 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1C[C@H](c3ccccc3)C1(C)C)C2 ZINC000123108204 337037913 /nfs/dbraw/zinc/03/79/13/337037913.db2.gz WUDDDKPKDLSDDK-RCCFBDPRSA-N 2 2 309.457 3.678 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000376690509 337039594 /nfs/dbraw/zinc/03/95/94/337039594.db2.gz QDLDSKABVQIXKD-ZCNNSNEGSA-N 2 2 309.457 3.815 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000376690509 337039595 /nfs/dbraw/zinc/03/95/95/337039595.db2.gz QDLDSKABVQIXKD-ZCNNSNEGSA-N 2 2 309.457 3.815 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000377173106 337048075 /nfs/dbraw/zinc/04/80/75/337048075.db2.gz BKBHIACIVCCZEA-IEBWSBKVSA-N 2 2 309.457 3.644 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000377173106 337048076 /nfs/dbraw/zinc/04/80/76/337048076.db2.gz BKBHIACIVCCZEA-IEBWSBKVSA-N 2 2 309.457 3.644 20 0 DHADLP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000377383075 337051415 /nfs/dbraw/zinc/05/14/15/337051415.db2.gz OEBQETRFSQQWEV-BFUOFWGJSA-N 2 2 323.371 3.623 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000377629259 337056840 /nfs/dbraw/zinc/05/68/40/337056840.db2.gz SGQHUNIFAXYRLI-RTWAWAEBSA-N 3 2 323.484 3.605 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000377629259 337056841 /nfs/dbraw/zinc/05/68/41/337056841.db2.gz SGQHUNIFAXYRLI-RTWAWAEBSA-N 3 2 323.484 3.605 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000377632992 337056985 /nfs/dbraw/zinc/05/69/85/337056985.db2.gz YSKOXGALIKLELZ-RDTXWAMCSA-N 2 2 321.428 3.802 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000377632992 337056986 /nfs/dbraw/zinc/05/69/86/337056986.db2.gz YSKOXGALIKLELZ-RDTXWAMCSA-N 2 2 321.428 3.802 20 0 DHADLP CSC1(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccc(Cl)c2)CC1 ZINC000377652352 337057415 /nfs/dbraw/zinc/05/74/15/337057415.db2.gz QAVXNNGQKLSRPF-GDBMZVCRSA-N 2 2 324.921 3.818 20 0 DHADLP CSC1(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)CC1 ZINC000377652352 337057416 /nfs/dbraw/zinc/05/74/16/337057416.db2.gz QAVXNNGQKLSRPF-GDBMZVCRSA-N 2 2 324.921 3.818 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1nccc2ccccc21 ZINC000377741392 337059915 /nfs/dbraw/zinc/05/99/15/337059915.db2.gz FGAHITRRUFAIAJ-OAHLLOKOSA-N 2 2 320.440 3.661 20 0 DHADLP Cc1cccn2c(C[NH2+]C[C@H]3CC[C@@H](c4ccccc4)O3)c[nH+]c12 ZINC000377784060 337060984 /nfs/dbraw/zinc/06/09/84/337060984.db2.gz WTTBFRFXKVPBBA-MOPGFXCFSA-N 2 2 321.424 3.653 20 0 DHADLP COc1ccc2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)ccc2c1 ZINC000378337201 337070148 /nfs/dbraw/zinc/07/01/48/337070148.db2.gz YZNHEANRPFJRNY-UHFFFAOYSA-N 2 2 321.424 3.951 20 0 DHADLP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000378474285 337073746 /nfs/dbraw/zinc/07/37/46/337073746.db2.gz MQZAXKJDINPRQW-MOPGFXCFSA-N 2 2 313.445 3.596 20 0 DHADLP Fc1cccc(C[C@H]([NH2+]Cc2c[nH+]c[nH]2)c2cccc(F)c2)c1 ZINC000171133503 337086760 /nfs/dbraw/zinc/08/67/60/337086760.db2.gz TXURZCGEZKVJEF-SFHVURJKSA-N 2 2 313.351 3.762 20 0 DHADLP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000173950663 337137906 /nfs/dbraw/zinc/13/79/06/337137906.db2.gz URHGJGZYDMEETH-QGZVFWFLSA-N 2 2 309.457 3.705 20 0 DHADLP CC(C)c1nc(NC2CC[NH+](C3CCCCC3)CC2)cc[nH+]1 ZINC000175169464 337145861 /nfs/dbraw/zinc/14/58/61/337145861.db2.gz OETRUBRQDQOVOG-UHFFFAOYSA-N 2 2 302.466 3.809 20 0 DHADLP CCN(CC)[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000179414423 337167774 /nfs/dbraw/zinc/16/77/74/337167774.db2.gz OLGBRZYPRIZQAN-LJQANCHMSA-N 2 2 322.456 3.507 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181117883 337180065 /nfs/dbraw/zinc/18/00/65/337180065.db2.gz JYJCAYQPLGADDY-HOTGVXAUSA-N 2 2 313.445 3.839 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181117883 337180066 /nfs/dbraw/zinc/18/00/66/337180066.db2.gz JYJCAYQPLGADDY-HOTGVXAUSA-N 2 2 313.445 3.839 20 0 DHADLP C(=C/[C@@H]1CCCCC[N@H+]1CCn1cc[nH+]c1)\c1cccs1 ZINC000181952786 337185441 /nfs/dbraw/zinc/18/54/41/337185441.db2.gz JBUWLHXAVDOFQE-WAVCKPEOSA-N 2 2 301.459 3.903 20 0 DHADLP C(=C/[C@@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1)\c1cccs1 ZINC000181952786 337185442 /nfs/dbraw/zinc/18/54/42/337185442.db2.gz JBUWLHXAVDOFQE-WAVCKPEOSA-N 2 2 301.459 3.903 20 0 DHADLP C[C@H]1C[C@H](Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC[N@@H+]1C ZINC000182923797 337190714 /nfs/dbraw/zinc/19/07/14/337190714.db2.gz GTRZWKCPPDOCBU-MAUKXSAKSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@H]1C[C@H](Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC[N@H+]1C ZINC000182923797 337190715 /nfs/dbraw/zinc/19/07/15/337190715.db2.gz GTRZWKCPPDOCBU-MAUKXSAKSA-N 2 2 324.472 3.781 20 0 DHADLP ClC(Cl)(Cl)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000184566916 337198531 /nfs/dbraw/zinc/19/85/31/337198531.db2.gz WLOQJWIRZHZFPY-LLVKDONJSA-N 2 2 322.667 3.576 20 0 DHADLP ClC(Cl)(Cl)CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000184566916 337198532 /nfs/dbraw/zinc/19/85/32/337198532.db2.gz WLOQJWIRZHZFPY-LLVKDONJSA-N 2 2 322.667 3.576 20 0 DHADLP Cc1ccc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c(C)[nH+]1 ZINC000185391427 337204563 /nfs/dbraw/zinc/20/45/63/337204563.db2.gz KEBXQODWOUBUOJ-UHFFFAOYSA-N 2 2 306.291 3.510 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1sccc1Br ZINC000582839287 337207538 /nfs/dbraw/zinc/20/75/38/337207538.db2.gz OUOXVQINZXESHU-UWVGGRQHSA-N 2 2 305.285 3.679 20 0 DHADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC000187039739 337261344 /nfs/dbraw/zinc/26/13/44/337261344.db2.gz NVPBRCMJWVUHFX-HKUYNNGSSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC000187039739 337261345 /nfs/dbraw/zinc/26/13/45/337261345.db2.gz NVPBRCMJWVUHFX-HKUYNNGSSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC000187039739 337261346 /nfs/dbraw/zinc/26/13/46/337261346.db2.gz NVPBRCMJWVUHFX-HKUYNNGSSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)n1 ZINC000187039739 337261347 /nfs/dbraw/zinc/26/13/47/337261347.db2.gz NVPBRCMJWVUHFX-HKUYNNGSSA-N 2 2 315.505 3.785 20 0 DHADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187422048 337265903 /nfs/dbraw/zinc/26/59/03/337265903.db2.gz IGDHMIXTVTYRAN-HOTGVXAUSA-N 2 2 306.519 3.628 20 0 DHADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187422048 337265904 /nfs/dbraw/zinc/26/59/04/337265904.db2.gz IGDHMIXTVTYRAN-HOTGVXAUSA-N 2 2 306.519 3.628 20 0 DHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(F)nc2)CC1 ZINC000189113917 337277818 /nfs/dbraw/zinc/27/78/18/337277818.db2.gz JBJCLTARZAIWHV-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP c1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000321644139 337281069 /nfs/dbraw/zinc/28/10/69/337281069.db2.gz WUUXIQOSNUPDBQ-CTNGQTDRSA-N 2 2 306.453 3.797 20 0 DHADLP c1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000321644139 337281070 /nfs/dbraw/zinc/28/10/70/337281070.db2.gz WUUXIQOSNUPDBQ-CTNGQTDRSA-N 2 2 306.453 3.797 20 0 DHADLP CC[NH+](CC)CCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000191499568 337297505 /nfs/dbraw/zinc/29/75/05/337297505.db2.gz MDNHFDZSCCJXMI-UHFFFAOYSA-N 2 2 320.321 3.535 20 0 DHADLP CC[NH+](CC)CCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000191499568 337297506 /nfs/dbraw/zinc/29/75/06/337297506.db2.gz MDNHFDZSCCJXMI-UHFFFAOYSA-N 2 2 320.321 3.535 20 0 DHADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000192034757 337302009 /nfs/dbraw/zinc/30/20/09/337302009.db2.gz VKPZNLZNMGHGHL-INIZCTEOSA-N 2 2 322.880 3.799 20 0 DHADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000192034757 337302010 /nfs/dbraw/zinc/30/20/10/337302010.db2.gz VKPZNLZNMGHGHL-INIZCTEOSA-N 2 2 322.880 3.799 20 0 DHADLP CSCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192107818 337302962 /nfs/dbraw/zinc/30/29/62/337302962.db2.gz QSZIYVBOKBDUST-HNNXBMFYSA-N 2 2 303.475 3.754 20 0 DHADLP CSCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192107818 337302963 /nfs/dbraw/zinc/30/29/63/337302963.db2.gz QSZIYVBOKBDUST-HNNXBMFYSA-N 2 2 303.475 3.754 20 0 DHADLP Clc1ccsc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000193039172 337309086 /nfs/dbraw/zinc/30/90/86/337309086.db2.gz PLEUEPROLHSNPY-UHFFFAOYSA-N 2 2 303.818 3.877 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000584438568 337325269 /nfs/dbraw/zinc/32/52/69/337325269.db2.gz DSVFEQFYPXGPPR-OALUTQOASA-N 2 2 314.860 3.918 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000584438568 337325270 /nfs/dbraw/zinc/32/52/70/337325270.db2.gz DSVFEQFYPXGPPR-OALUTQOASA-N 2 2 314.860 3.918 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C[C@H](C)O1 ZINC000583852554 337342861 /nfs/dbraw/zinc/34/28/61/337342861.db2.gz FAZFXVOZRAOYLP-BTTYYORXSA-N 2 2 319.836 3.571 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1sccc1Br ZINC000037211044 337362142 /nfs/dbraw/zinc/36/21/42/337362142.db2.gz WBPRJZNPWZCHLG-LLVKDONJSA-N 2 2 319.312 3.893 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166700 337386980 /nfs/dbraw/zinc/38/69/80/337386980.db2.gz IQXMKBDRIJNJEJ-ZDUSSCGKSA-N 2 2 319.399 3.714 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCO2 ZINC000119646982 337394853 /nfs/dbraw/zinc/39/48/53/337394853.db2.gz YXIWHEQMBPXMLC-QGZVFWFLSA-N 2 2 320.864 3.770 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H]3CCOC4(CCCCC4)C3)c[nH+]c12 ZINC000136741376 337455050 /nfs/dbraw/zinc/45/50/50/337455050.db2.gz ZEAJDQWFXPGPKC-INIZCTEOSA-N 2 2 313.445 3.614 20 0 DHADLP C[C@@](C[NH3+])([NH2+]Cc1nc(-c2ccccc2Cl)cs1)C1CC1 ZINC000420293218 337498509 /nfs/dbraw/zinc/49/85/09/337498509.db2.gz QLWAJOPRGKVPOH-INIZCTEOSA-N 2 2 321.877 3.681 20 0 DHADLP COC1(C[C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)CCC1 ZINC000429515816 337524437 /nfs/dbraw/zinc/52/44/37/337524437.db2.gz KNOLZYNHTYBLEE-WMZOPIPTSA-N 2 2 304.478 3.535 20 0 DHADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000571904402 337581659 /nfs/dbraw/zinc/58/16/59/337581659.db2.gz DFMGEYNKJBZBAZ-CKUJCDMFSA-N 2 2 318.427 3.816 20 0 DHADLP Fc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1-c1cccs1 ZINC000422564633 337682926 /nfs/dbraw/zinc/68/29/26/337682926.db2.gz WINYINQMOJWANO-UHFFFAOYSA-N 2 2 316.445 3.882 20 0 DHADLP COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422783120 337686407 /nfs/dbraw/zinc/68/64/07/337686407.db2.gz HBXRMVHBRGKPLA-IUIKQTSFSA-N 2 2 300.377 3.630 20 0 DHADLP Cc1nc(-c2ccc([C@@H](C)[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)cc2)cs1 ZINC000422808020 337687523 /nfs/dbraw/zinc/68/75/23/337687523.db2.gz PRINSDFRSUNLIG-XNJGSVPQSA-N 2 2 315.486 3.910 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)c2ccccc21 ZINC000422938559 337692566 /nfs/dbraw/zinc/69/25/66/337692566.db2.gz HDVOFIPYMXMJIV-ZACQAIPSSA-N 2 2 314.816 3.898 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423005095 337695454 /nfs/dbraw/zinc/69/54/54/337695454.db2.gz QRCMMLGLKRCTGG-DLBZAZTESA-N 2 2 316.832 3.973 20 0 DHADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423266208 337708173 /nfs/dbraw/zinc/70/81/73/337708173.db2.gz DGEXNGNBMMXAOK-JOYOIKCWSA-N 2 2 306.784 3.575 20 0 DHADLP C[C@@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)[C@H]1CCC[NH2+]1 ZINC000423100553 337699650 /nfs/dbraw/zinc/69/96/50/337699650.db2.gz HCPBCHCXVYIGJH-IAQYHMDHSA-N 2 2 321.877 3.694 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1)[C@H]1CCC[NH2+]1 ZINC000423118589 337700450 /nfs/dbraw/zinc/70/04/50/337700450.db2.gz BLFNJFBKINSUCL-QMTMVMCOSA-N 2 2 311.429 3.665 20 0 DHADLP COc1ccc([C@@H]([NH2+]CCC2CC(F)(F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423163302 337702105 /nfs/dbraw/zinc/70/21/05/337702105.db2.gz MNXGOQMVORLGBA-DLBZAZTESA-N 2 2 324.415 3.513 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc2cc(Br)ccc2o1 ZINC000423184838 337702859 /nfs/dbraw/zinc/70/28/59/337702859.db2.gz IVDNYBQNGIEEOX-GXFFZTMASA-N 2 2 323.234 3.598 20 0 DHADLP C[NH2+]CCC[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000423198298 337703599 /nfs/dbraw/zinc/70/35/99/337703599.db2.gz FBGIRHGBAZSQFN-QGZVFWFLSA-N 2 2 306.812 3.768 20 0 DHADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423202782 337703702 /nfs/dbraw/zinc/70/37/02/337703702.db2.gz LGBJUKBFVZDIOQ-QFBILLFUSA-N 2 2 310.441 3.587 20 0 DHADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423242009 337706863 /nfs/dbraw/zinc/70/68/63/337706863.db2.gz DTQAAJIOKIDKGE-UGSOOPFHSA-N 2 2 304.384 3.576 20 0 DHADLP CCC([NH3+])(CC)C[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000423288179 337709563 /nfs/dbraw/zinc/70/95/63/337709563.db2.gz QWDFMTUMQPENTH-CQSZACIVSA-N 2 2 318.383 3.500 20 0 DHADLP CC[C@@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)c1ccncc1 ZINC000423408914 337716141 /nfs/dbraw/zinc/71/61/41/337716141.db2.gz YBQDDOGRPQBGFF-UXHICEINSA-N 2 2 305.425 3.976 20 0 DHADLP COCCC[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(F)cc1 ZINC000423389979 337718219 /nfs/dbraw/zinc/71/82/19/337718219.db2.gz NXNYDNQSIGUBKU-ZWKOTPCHSA-N 2 2 322.468 3.661 20 0 DHADLP C[C@@H]([NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000423443443 337719489 /nfs/dbraw/zinc/71/94/89/337719489.db2.gz KMKTUVXMQNXOAA-JKDFXYPNSA-N 2 2 306.812 3.894 20 0 DHADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(F)cc1OC(F)F ZINC000423494216 337722862 /nfs/dbraw/zinc/72/28/62/337722862.db2.gz ACUASMDBKJCKJR-HZMBPMFUSA-N 2 2 316.367 3.595 20 0 DHADLP CCC(CC)[C@H](CC[NH2+]Cc1c[nH+]c2c(C)cccn12)OC ZINC000533008879 337805241 /nfs/dbraw/zinc/80/52/41/337805241.db2.gz HJORTYDEDRZOHS-KRWDZBQOSA-N 2 2 303.450 3.574 20 0 DHADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000424364408 337827068 /nfs/dbraw/zinc/82/70/68/337827068.db2.gz DMUXSQHTGGHMFV-NXEZZACHSA-N 2 2 323.687 3.524 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093941606 337923072 /nfs/dbraw/zinc/92/30/72/337923072.db2.gz UBJRELOUWMJXSA-HNNXBMFYSA-N 2 2 322.456 3.762 20 0 DHADLP CCOC1(C)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000428715286 338059182 /nfs/dbraw/zinc/05/91/82/338059182.db2.gz VWSQQWXCNZQBCR-UHFFFAOYSA-N 2 2 313.445 3.572 20 0 DHADLP C[C@H](CC[NH2+]Cc1nc2ccc(F)cc2s1)[NH+]1CCCCC1 ZINC000428864642 338063234 /nfs/dbraw/zinc/06/32/34/338063234.db2.gz UPCRHTTYFKRKBR-CYBMUJFWSA-N 2 2 321.465 3.790 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000428968415 338067119 /nfs/dbraw/zinc/06/71/19/338067119.db2.gz PBVOJMZJBSKGRV-UHFFFAOYSA-N 2 2 319.449 3.653 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000428968415 338067120 /nfs/dbraw/zinc/06/71/20/338067120.db2.gz PBVOJMZJBSKGRV-UHFFFAOYSA-N 2 2 319.449 3.653 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000428968415 338067121 /nfs/dbraw/zinc/06/71/21/338067121.db2.gz PBVOJMZJBSKGRV-UHFFFAOYSA-N 2 2 319.449 3.653 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000428968415 338067122 /nfs/dbraw/zinc/06/71/22/338067122.db2.gz PBVOJMZJBSKGRV-UHFFFAOYSA-N 2 2 319.449 3.653 20 0 DHADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004344 338068428 /nfs/dbraw/zinc/06/84/28/338068428.db2.gz LGGIBMNWUFZJIB-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[N@H+]1CC[C@@]2(CC[NH+](CCc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004344 338068429 /nfs/dbraw/zinc/06/84/29/338068429.db2.gz LGGIBMNWUFZJIB-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@H+](CCc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004344 338068430 /nfs/dbraw/zinc/06/84/30/338068430.db2.gz LGGIBMNWUFZJIB-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004344 338068431 /nfs/dbraw/zinc/06/84/31/338068431.db2.gz LGGIBMNWUFZJIB-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000429040846 338069668 /nfs/dbraw/zinc/06/96/68/338069668.db2.gz NIKRLSKCVRYAHP-SFHVURJKSA-N 2 2 322.880 3.655 20 0 DHADLP CC(C)Oc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000429040846 338069669 /nfs/dbraw/zinc/06/96/69/338069669.db2.gz NIKRLSKCVRYAHP-SFHVURJKSA-N 2 2 322.880 3.655 20 0 DHADLP CC(C)Oc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000429040846 338069670 /nfs/dbraw/zinc/06/96/70/338069670.db2.gz NIKRLSKCVRYAHP-SFHVURJKSA-N 2 2 322.880 3.655 20 0 DHADLP CC(C)Oc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000429040846 338069671 /nfs/dbraw/zinc/06/96/71/338069671.db2.gz NIKRLSKCVRYAHP-SFHVURJKSA-N 2 2 322.880 3.655 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000429525177 338083026 /nfs/dbraw/zinc/08/30/26/338083026.db2.gz AKDVQHVGQOVDHK-SCTDSRPQSA-N 2 2 316.489 3.759 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000429525177 338083027 /nfs/dbraw/zinc/08/30/27/338083027.db2.gz AKDVQHVGQOVDHK-SCTDSRPQSA-N 2 2 316.489 3.759 20 0 DHADLP Cc1cnc([C@H]([NH2+]CCCc2c[nH+]ccc2C)C2CC2)s1 ZINC000429841129 338090985 /nfs/dbraw/zinc/09/09/85/338090985.db2.gz DGXDJDLDMUAWBU-MRXNPFEDSA-N 2 2 301.459 3.828 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cs2)o1 ZINC000430579564 338109168 /nfs/dbraw/zinc/10/91/68/338109168.db2.gz CIDQGMZUEUKHAU-AWEZNQCLSA-N 2 2 307.463 3.517 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cs2)o1 ZINC000430579564 338109169 /nfs/dbraw/zinc/10/91/69/338109169.db2.gz CIDQGMZUEUKHAU-AWEZNQCLSA-N 2 2 307.463 3.517 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430589352 338109463 /nfs/dbraw/zinc/10/94/63/338109463.db2.gz HWFVBKJKHJEKEC-CQSZACIVSA-N 2 2 307.463 3.517 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430589352 338109464 /nfs/dbraw/zinc/10/94/64/338109464.db2.gz HWFVBKJKHJEKEC-CQSZACIVSA-N 2 2 307.463 3.517 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1C ZINC000430653710 338110441 /nfs/dbraw/zinc/11/04/41/338110441.db2.gz ZHUXRONXWBGGLJ-MAUKXSAKSA-N 2 2 302.462 3.516 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1C ZINC000430653710 338110442 /nfs/dbraw/zinc/11/04/42/338110442.db2.gz ZHUXRONXWBGGLJ-MAUKXSAKSA-N 2 2 302.462 3.516 20 0 DHADLP CC(C)(C[NH3+])C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000430801348 338115494 /nfs/dbraw/zinc/11/54/94/338115494.db2.gz ZFVXWPZAOLQAIB-UHFFFAOYSA-N 2 2 314.433 3.534 20 0 DHADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432228486 338149225 /nfs/dbraw/zinc/14/92/25/338149225.db2.gz JSUNMTWGDQOBHN-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432228486 338149226 /nfs/dbraw/zinc/14/92/26/338149226.db2.gz JSUNMTWGDQOBHN-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP Fc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1Cl ZINC000432232950 338149372 /nfs/dbraw/zinc/14/93/72/338149372.db2.gz OWTUXJYAINNHLD-SNVBAGLBSA-N 2 2 317.235 3.706 20 0 DHADLP Fc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1Cl ZINC000432232950 338149373 /nfs/dbraw/zinc/14/93/73/338149373.db2.gz OWTUXJYAINNHLD-SNVBAGLBSA-N 2 2 317.235 3.706 20 0 DHADLP Fc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(Cl)c1Cl ZINC000432235087 338149509 /nfs/dbraw/zinc/14/95/09/338149509.db2.gz GEGQQXLYFNGNTP-UHFFFAOYSA-N 2 2 302.180 3.509 20 0 DHADLP Fc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(Cl)c1Cl ZINC000432244323 338150304 /nfs/dbraw/zinc/15/03/04/338150304.db2.gz DDTIVFOCIHKOGW-UHFFFAOYSA-N 2 2 305.224 3.708 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432255082 338151341 /nfs/dbraw/zinc/15/13/41/338151341.db2.gz ABUXHULDBWWIRW-UHFFFAOYSA-N 2 2 307.240 3.952 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432255082 338151342 /nfs/dbraw/zinc/15/13/42/338151342.db2.gz ABUXHULDBWWIRW-UHFFFAOYSA-N 2 2 307.240 3.952 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434790045 338225684 /nfs/dbraw/zinc/22/56/84/338225684.db2.gz QCOIKRWHVFDAAX-NFAWXSAZSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434790045 338225685 /nfs/dbraw/zinc/22/56/85/338225685.db2.gz QCOIKRWHVFDAAX-NFAWXSAZSA-N 2 2 304.400 3.714 20 0 DHADLP c1csc(-c2cnc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)o2)c1 ZINC000434985293 338228814 /nfs/dbraw/zinc/22/88/14/338228814.db2.gz HSVMCMDEBHQEQI-UHFFFAOYSA-N 2 2 314.414 3.506 20 0 DHADLP CC(C)COc1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434985782 338229060 /nfs/dbraw/zinc/22/90/60/338229060.db2.gz KMMMQEQUDPHDSK-UHFFFAOYSA-N 2 2 313.445 3.824 20 0 DHADLP c1[nH]cc(C2CC[NH+](CCOc3cccc4ccccc43)CC2)[nH+]1 ZINC000434988478 338229154 /nfs/dbraw/zinc/22/91/54/338229154.db2.gz SOAQXSLKYXVEKG-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000435372554 338238246 /nfs/dbraw/zinc/23/82/46/338238246.db2.gz RWSQMIMEDNFHHJ-UHFFFAOYSA-N 2 2 310.441 3.546 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000435372554 338238247 /nfs/dbraw/zinc/23/82/47/338238247.db2.gz RWSQMIMEDNFHHJ-UHFFFAOYSA-N 2 2 310.441 3.546 20 0 DHADLP C[NH2+]CCC[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000435877864 338251455 /nfs/dbraw/zinc/25/14/55/338251455.db2.gz VUUCVFMNZJRLLX-HNNXBMFYSA-N 2 2 300.368 3.842 20 0 DHADLP C[NH2+]CCC[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000435877864 338251456 /nfs/dbraw/zinc/25/14/56/338251456.db2.gz VUUCVFMNZJRLLX-HNNXBMFYSA-N 2 2 300.368 3.842 20 0 DHADLP C[N@H+](CC[NH2+]Cc1cc2c(cccc2F)[nH]1)Cc1ccccc1 ZINC000436279999 338265511 /nfs/dbraw/zinc/26/55/11/338265511.db2.gz CGESZWSFSRXXQF-UHFFFAOYSA-N 2 2 311.404 3.529 20 0 DHADLP C[N@@H+](CC[NH2+]Cc1cc2c(cccc2F)[nH]1)Cc1ccccc1 ZINC000436279999 338265512 /nfs/dbraw/zinc/26/55/12/338265512.db2.gz CGESZWSFSRXXQF-UHFFFAOYSA-N 2 2 311.404 3.529 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437114850 338301743 /nfs/dbraw/zinc/30/17/43/338301743.db2.gz NIFTVSTVMXPVHN-CYBMUJFWSA-N 2 2 314.395 3.710 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2cccc(O)c2)n1-c1ccccc1 ZINC000437280689 338305974 /nfs/dbraw/zinc/30/59/74/338305974.db2.gz KXDGKOFZAIWLBS-HNNXBMFYSA-N 2 2 321.424 3.607 20 0 DHADLP Fc1cccc2[nH]c(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc21 ZINC000437623343 338316406 /nfs/dbraw/zinc/31/64/06/338316406.db2.gz VDVGGUKPNIRXKW-AWEZNQCLSA-N 2 2 324.403 3.636 20 0 DHADLP Fc1cccc2[nH]c(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc21 ZINC000437623343 338316407 /nfs/dbraw/zinc/31/64/07/338316407.db2.gz VDVGGUKPNIRXKW-AWEZNQCLSA-N 2 2 324.403 3.636 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000437778377 338320984 /nfs/dbraw/zinc/32/09/84/338320984.db2.gz QXYBNJVYSLKFAA-XPGWFJOJSA-N 2 2 312.432 3.792 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000437778377 338320985 /nfs/dbraw/zinc/32/09/85/338320985.db2.gz QXYBNJVYSLKFAA-XPGWFJOJSA-N 2 2 312.432 3.792 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000438086739 338330658 /nfs/dbraw/zinc/33/06/58/338330658.db2.gz IQZPCPKYQQFRJJ-OAHLLOKOSA-N 2 2 309.388 3.732 20 0 DHADLP C[C@H](C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000438101381 338331711 /nfs/dbraw/zinc/33/17/11/338331711.db2.gz AWNMGMUIZNTSSS-HDMKZQKVSA-N 2 2 301.409 3.709 20 0 DHADLP C[C@H](C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000438101381 338331712 /nfs/dbraw/zinc/33/17/12/338331712.db2.gz AWNMGMUIZNTSSS-HDMKZQKVSA-N 2 2 301.409 3.709 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CCSC1 ZINC000438173762 338334825 /nfs/dbraw/zinc/33/48/25/338334825.db2.gz DWYZJUKVNWZFIW-QYZOEREBSA-N 2 2 318.530 3.524 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000438196354 338336140 /nfs/dbraw/zinc/33/61/40/338336140.db2.gz AQGSTFNESMEQFQ-RDBSUJKOSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000438196354 338336141 /nfs/dbraw/zinc/33/61/41/338336141.db2.gz AQGSTFNESMEQFQ-RDBSUJKOSA-N 2 2 304.400 3.714 20 0 DHADLP Cc1cccn2c(C[NH2+]Cc3ccccc3N(C)C(C)C)c[nH+]c12 ZINC000438345107 338340513 /nfs/dbraw/zinc/34/05/13/338340513.db2.gz LDJAJSFWICBNGF-UHFFFAOYSA-N 2 2 322.456 3.777 20 0 DHADLP CC(C)N(C)c1ccc(CNc2[nH+]ccn2-c2ccccc2)c[nH+]1 ZINC000438926683 338356179 /nfs/dbraw/zinc/35/61/79/338356179.db2.gz DEZXTYNANAGVDY-UHFFFAOYSA-N 2 2 321.428 3.724 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)s1 ZINC000156559857 338369065 /nfs/dbraw/zinc/36/90/65/338369065.db2.gz KMTISWSZHLCGOY-OUAUKWLOSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)s1 ZINC000156559857 338369066 /nfs/dbraw/zinc/36/90/66/338369066.db2.gz KMTISWSZHLCGOY-OUAUKWLOSA-N 2 2 317.296 3.644 20 0 DHADLP CC[C@@H](F)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000440793823 338397776 /nfs/dbraw/zinc/39/77/76/338397776.db2.gz ATZQJVXPVNEXOF-RTBURBONSA-N 2 2 304.453 3.723 20 0 DHADLP CC[C@@H](F)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000440793823 338397777 /nfs/dbraw/zinc/39/77/77/338397777.db2.gz ATZQJVXPVNEXOF-RTBURBONSA-N 2 2 304.453 3.723 20 0 DHADLP CC[C@@H](F)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000440793823 338397778 /nfs/dbraw/zinc/39/77/78/338397778.db2.gz ATZQJVXPVNEXOF-RTBURBONSA-N 2 2 304.453 3.723 20 0 DHADLP CC[C@@H](F)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000440793823 338397779 /nfs/dbraw/zinc/39/77/79/338397779.db2.gz ATZQJVXPVNEXOF-RTBURBONSA-N 2 2 304.453 3.723 20 0 DHADLP FC(F)(F)c1ccc([C@H]2CC[C@@H]([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000442636324 338426427 /nfs/dbraw/zinc/42/64/27/338426427.db2.gz SNIJNMJKJOUXGU-GOEBONIOSA-N 2 2 323.362 3.828 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(O)c2)[NH+](C)C)cc1 ZINC000442651917 338426782 /nfs/dbraw/zinc/42/67/82/338426782.db2.gz QQYURGJEYCHRKC-YWZLYKJASA-N 2 2 312.457 3.908 20 0 DHADLP CCO[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000194460715 338532403 /nfs/dbraw/zinc/53/24/03/338532403.db2.gz KVMWGBNVPGKGLV-FQEVSTJZSA-N 2 2 321.424 3.740 20 0 DHADLP COc1cc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1C ZINC000447842605 338568920 /nfs/dbraw/zinc/56/89/20/338568920.db2.gz CFRDBFXJOVCYEF-FQEVSTJZSA-N 2 2 324.468 3.930 20 0 DHADLP C[C@@H](C[NH+]1CCC([NH+]2CCCC2)CC1)c1cc(F)cc(F)c1 ZINC000449012132 338582851 /nfs/dbraw/zinc/58/28/51/338582851.db2.gz YVDHLZYALJZUQN-AWEZNQCLSA-N 2 2 308.416 3.629 20 0 DHADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCC1 ZINC000449191468 338601007 /nfs/dbraw/zinc/60/10/07/338601007.db2.gz JYROJQATCPXXKI-GOSISDBHSA-N 2 2 316.493 3.603 20 0 DHADLP Cc1cccc(CC[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000449205974 338602357 /nfs/dbraw/zinc/60/23/57/338602357.db2.gz KXXQYRJVHFVHIE-GOSISDBHSA-N 2 2 323.484 3.748 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CSC[C@@H]3C)ccc2n1C1CC1 ZINC000449309864 338611717 /nfs/dbraw/zinc/61/17/17/338611717.db2.gz FNKBHMAVAGZNPI-LRDDRELGSA-N 2 2 315.486 3.775 20 0 DHADLP Cc1ccoc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449333173 338614041 /nfs/dbraw/zinc/61/40/41/338614041.db2.gz AMIFZYUXDVJMBK-KRWDZBQOSA-N 2 2 312.457 3.773 20 0 DHADLP CC(F)(F)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000449353695 338616841 /nfs/dbraw/zinc/61/68/41/338616841.db2.gz FPUSSHCXCJPZGZ-UHFFFAOYSA-N 2 2 316.823 3.939 20 0 DHADLP CC[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449406130 338621611 /nfs/dbraw/zinc/62/16/11/338621611.db2.gz SSWIPSBLUDJFOI-OALUTQOASA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000449707052 338647420 /nfs/dbraw/zinc/64/74/20/338647420.db2.gz POENQGOXRDKUMI-KDOFPFPSSA-N 2 2 317.477 3.685 20 0 DHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C1CC1)C1CCC1)C2 ZINC000453086358 338792096 /nfs/dbraw/zinc/79/20/96/338792096.db2.gz LRSKJEFZCDEOBY-YJBOKZPZSA-N 2 2 301.478 3.664 20 0 DHADLP FC1(F)CCC(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000459333394 339022599 /nfs/dbraw/zinc/02/25/99/339022599.db2.gz BBIHKLOBWWGMPD-HNNXBMFYSA-N 2 2 309.404 3.641 20 0 DHADLP FC1(F)CCC(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000459333394 339022600 /nfs/dbraw/zinc/02/26/00/339022600.db2.gz BBIHKLOBWWGMPD-HNNXBMFYSA-N 2 2 309.404 3.641 20 0 DHADLP Cc1cc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000459426888 339028516 /nfs/dbraw/zinc/02/85/16/339028516.db2.gz NVPAGMQBBMKOJT-AGUYFDCRSA-N 2 2 310.844 3.892 20 0 DHADLP Cc1cc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000459426888 339028517 /nfs/dbraw/zinc/02/85/17/339028517.db2.gz NVPAGMQBBMKOJT-AGUYFDCRSA-N 2 2 310.844 3.892 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)c1 ZINC000459659477 339041044 /nfs/dbraw/zinc/04/10/44/339041044.db2.gz KDFSDIQGSHLODL-QAPCUYQASA-N 2 2 317.864 3.617 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)[nH+]c2c1 ZINC000460953568 339055855 /nfs/dbraw/zinc/05/58/55/339055855.db2.gz UXEHAJBDJQANEF-HNNXBMFYSA-N 2 2 306.413 3.959 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2ccc(C)cc2OC(C)(C)C)CC1 ZINC000462111717 339072319 /nfs/dbraw/zinc/07/23/19/339072319.db2.gz KLGFYKINFOAKGR-UHFFFAOYSA-N 2 2 304.478 3.746 20 0 DHADLP CC1(C)C[N@@H+](C2(C[NH2+]C3CCCCC3)CCCCC2)CCO1 ZINC000462749474 339086767 /nfs/dbraw/zinc/08/67/67/339086767.db2.gz IRLBAWJUJHEEDW-UHFFFAOYSA-N 2 2 308.510 3.722 20 0 DHADLP CC1(C)C[N@H+](C2(C[NH2+]C3CCCCC3)CCCCC2)CCO1 ZINC000462749474 339086768 /nfs/dbraw/zinc/08/67/68/339086768.db2.gz IRLBAWJUJHEEDW-UHFFFAOYSA-N 2 2 308.510 3.722 20 0 DHADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000463026480 339101274 /nfs/dbraw/zinc/10/12/74/339101274.db2.gz YPDFJKZKXPVQNL-WBVHZDCISA-N 2 2 304.478 3.999 20 0 DHADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000463026480 339101275 /nfs/dbraw/zinc/10/12/75/339101275.db2.gz YPDFJKZKXPVQNL-WBVHZDCISA-N 2 2 304.478 3.999 20 0 DHADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463146531 339107099 /nfs/dbraw/zinc/10/70/99/339107099.db2.gz CKDGIQCJVJJPEB-QZTJIDSGSA-N 2 2 315.505 3.508 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000467349069 339233174 /nfs/dbraw/zinc/23/31/74/339233174.db2.gz HWDWFUDPXOBDLJ-IOASZLSFSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000467349069 339233175 /nfs/dbraw/zinc/23/31/75/339233175.db2.gz HWDWFUDPXOBDLJ-IOASZLSFSA-N 2 2 314.395 3.709 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467354092 339233593 /nfs/dbraw/zinc/23/35/93/339233593.db2.gz LKWCZXXSHBMEKI-ROUUACIJSA-N 2 2 303.494 3.738 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467354092 339233594 /nfs/dbraw/zinc/23/35/94/339233594.db2.gz LKWCZXXSHBMEKI-ROUUACIJSA-N 2 2 303.494 3.738 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000467355962 339233657 /nfs/dbraw/zinc/23/36/57/339233657.db2.gz QQKFPNWPJFUNEL-OLZOCXBDSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000467355962 339233658 /nfs/dbraw/zinc/23/36/58/339233658.db2.gz QQKFPNWPJFUNEL-OLZOCXBDSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000467382801 339235819 /nfs/dbraw/zinc/23/58/19/339235819.db2.gz QYSXBIPRQLLHIE-LRDDRELGSA-N 2 2 314.395 3.566 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000467388171 339236129 /nfs/dbraw/zinc/23/61/29/339236129.db2.gz JNLLIPYXRBFSAA-RTBURBONSA-N 2 2 313.489 3.658 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000467388171 339236130 /nfs/dbraw/zinc/23/61/30/339236130.db2.gz JNLLIPYXRBFSAA-RTBURBONSA-N 2 2 313.489 3.658 20 0 DHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000469772086 339298581 /nfs/dbraw/zinc/29/85/81/339298581.db2.gz IYHWIFYJJXVQOF-SXLOBPIMSA-N 2 2 318.505 3.548 20 0 DHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000469772086 339298582 /nfs/dbraw/zinc/29/85/82/339298582.db2.gz IYHWIFYJJXVQOF-SXLOBPIMSA-N 2 2 318.505 3.548 20 0 DHADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@@H]1[NH3+] ZINC000469998325 339307669 /nfs/dbraw/zinc/30/76/69/339307669.db2.gz DBFKVQKFLACCIH-GUYCJALGSA-N 2 2 322.880 3.831 20 0 DHADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@@H]1[NH3+] ZINC000469998325 339307670 /nfs/dbraw/zinc/30/76/70/339307670.db2.gz DBFKVQKFLACCIH-GUYCJALGSA-N 2 2 322.880 3.831 20 0 DHADLP CC(C)COc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000470014829 339308589 /nfs/dbraw/zinc/30/85/89/339308589.db2.gz GQNJWFPTSIQNJM-UHFFFAOYSA-N 2 2 316.489 3.685 20 0 DHADLP CCn1nc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c2ccccc21 ZINC000472046914 339360682 /nfs/dbraw/zinc/36/06/82/339360682.db2.gz HWHOUDSXRJUXGJ-UHFFFAOYSA-N 2 2 316.493 3.655 20 0 DHADLP COc1ccc(C)cc1C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000472057584 339361414 /nfs/dbraw/zinc/36/14/14/339361414.db2.gz KNCIRPGBMJKIJL-UZLBHIALSA-N 2 2 312.457 3.785 20 0 DHADLP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000474031128 339397811 /nfs/dbraw/zinc/39/78/11/339397811.db2.gz GZSYEPBLOPWPRA-QAPCUYQASA-N 2 2 324.459 3.963 20 0 DHADLP Cc1ccc(CCC[NH2+]CCCOc2c(C)cccc2C)c[nH+]1 ZINC000474620512 339420388 /nfs/dbraw/zinc/42/03/88/339420388.db2.gz YCKGEIOGGDHAEP-UHFFFAOYSA-N 2 2 312.457 3.998 20 0 DHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000474796800 339426382 /nfs/dbraw/zinc/42/63/82/339426382.db2.gz BWRDHTDLKQQFIY-WOJBJXKFSA-N 3 2 317.521 3.813 20 0 DHADLP CC[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)Oc1cccc(F)c1 ZINC000474809176 339427420 /nfs/dbraw/zinc/42/74/20/339427420.db2.gz NVSBYVVANIDSLU-GOSISDBHSA-N 2 2 316.420 3.909 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474928166 339431552 /nfs/dbraw/zinc/43/15/52/339431552.db2.gz SAECNEGGBHBBRE-WWGRRREGSA-N 2 2 303.837 3.633 20 0 DHADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000481313134 339600693 /nfs/dbraw/zinc/60/06/93/339600693.db2.gz JFHJXCVZGUEPDD-UXHICEINSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc2ccccc2c1 ZINC000484474532 339686941 /nfs/dbraw/zinc/68/69/41/339686941.db2.gz LXIRXRHBLNLPMT-KXBFYZLASA-N 2 2 314.498 3.928 20 0 DHADLP C[NH+](C)[C@H](C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000488454890 339783516 /nfs/dbraw/zinc/78/35/16/339783516.db2.gz JNEMLYWVINWYPM-BRWVUGGUSA-N 2 2 306.519 3.799 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000494427847 339948787 /nfs/dbraw/zinc/94/87/87/339948787.db2.gz UDASXPMIQGVTJY-LJQANCHMSA-N 2 2 303.409 3.655 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CC[NH+]1CCCC1 ZINC000501384115 340079331 /nfs/dbraw/zinc/07/93/31/340079331.db2.gz WPINVFPDFWANJH-WYMLVPIESA-N 2 2 312.379 3.794 20 0 DHADLP CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000502054510 340094204 /nfs/dbraw/zinc/09/42/04/340094204.db2.gz SFLTUJZZNVISTF-VQTJNVASSA-N 2 2 316.489 3.577 20 0 DHADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCC34CCC4)c(C)c2)CC1 ZINC000502362573 340100689 /nfs/dbraw/zinc/10/06/89/340100689.db2.gz ACRIAVPHXWIIOB-IBGZPJMESA-N 2 2 313.489 3.882 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000502698719 340111170 /nfs/dbraw/zinc/11/11/70/340111170.db2.gz GRWAMZZIQPPPSJ-FFGOWVMKSA-N 2 2 316.489 3.617 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000502698719 340111171 /nfs/dbraw/zinc/11/11/71/340111171.db2.gz GRWAMZZIQPPPSJ-FFGOWVMKSA-N 2 2 316.489 3.617 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2CCOC)[NH+](C)C)cc1 ZINC000502699546 340111228 /nfs/dbraw/zinc/11/12/28/340111228.db2.gz LGTKFTOMCKETGU-IHPCNDPISA-N 2 2 318.505 3.647 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000503049924 340119689 /nfs/dbraw/zinc/11/96/89/340119689.db2.gz BPILOCRJPRRQSP-CVEARBPZSA-N 2 2 322.880 3.668 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000503049924 340119690 /nfs/dbraw/zinc/11/96/90/340119690.db2.gz BPILOCRJPRRQSP-CVEARBPZSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000503049924 340119691 /nfs/dbraw/zinc/11/96/91/340119691.db2.gz BPILOCRJPRRQSP-CVEARBPZSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000503049924 340119692 /nfs/dbraw/zinc/11/96/92/340119692.db2.gz BPILOCRJPRRQSP-CVEARBPZSA-N 2 2 322.880 3.668 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+][C@H](C)CCOC)c1ccc(Cl)cc1 ZINC000506609175 340197558 /nfs/dbraw/zinc/19/75/58/340197558.db2.gz BSSWUKYIUAPMSC-RHSMWYFYSA-N 2 2 312.885 3.738 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H](C)CCOC)c1ccc(Cl)cc1 ZINC000506609175 340197559 /nfs/dbraw/zinc/19/75/59/340197559.db2.gz BSSWUKYIUAPMSC-RHSMWYFYSA-N 2 2 312.885 3.738 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507797896 340231822 /nfs/dbraw/zinc/23/18/22/340231822.db2.gz PPLDIPXNMJUWFC-INIZCTEOSA-N 2 2 312.432 3.876 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507797896 340231823 /nfs/dbraw/zinc/23/18/23/340231823.db2.gz PPLDIPXNMJUWFC-INIZCTEOSA-N 2 2 312.432 3.876 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1Cl ZINC000507815245 340232836 /nfs/dbraw/zinc/23/28/36/340232836.db2.gz VZWOPYUOSGULPE-QGZVFWFLSA-N 2 2 306.881 3.956 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1Cl ZINC000507815245 340232837 /nfs/dbraw/zinc/23/28/37/340232837.db2.gz VZWOPYUOSGULPE-QGZVFWFLSA-N 2 2 306.881 3.956 20 0 DHADLP CCc1ccc[nH+]c1N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722515 340251572 /nfs/dbraw/zinc/25/15/72/340251572.db2.gz XQKYRHQDCKCHFX-LPHOPBHVSA-N 2 2 309.457 3.967 20 0 DHADLP CCc1ccc[nH+]c1N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722515 340251573 /nfs/dbraw/zinc/25/15/73/340251573.db2.gz XQKYRHQDCKCHFX-LPHOPBHVSA-N 2 2 309.457 3.967 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000508990273 340257254 /nfs/dbraw/zinc/25/72/54/340257254.db2.gz IITYRJMWRSJCFQ-IBGZPJMESA-N 2 2 323.484 3.550 20 0 DHADLP COCC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000509963662 340284079 /nfs/dbraw/zinc/28/40/79/340284079.db2.gz NKPZDOFHCKYTJN-NEWSRXKRSA-N 2 2 318.505 3.690 20 0 DHADLP COCC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000509963662 340284080 /nfs/dbraw/zinc/28/40/80/340284080.db2.gz NKPZDOFHCKYTJN-NEWSRXKRSA-N 2 2 318.505 3.690 20 0 DHADLP Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000302972676 340291426 /nfs/dbraw/zinc/29/14/26/340291426.db2.gz IODCIALOTWWBQG-HXUWFJFHSA-N 2 2 312.432 3.888 20 0 DHADLP Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000302972676 340291427 /nfs/dbraw/zinc/29/14/27/340291427.db2.gz IODCIALOTWWBQG-HXUWFJFHSA-N 2 2 312.432 3.888 20 0 DHADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCCF)Cc1ccccc1 ZINC000510717033 340307897 /nfs/dbraw/zinc/30/78/97/340307897.db2.gz GIQLQFLZBFIEBZ-CEXWTWQISA-N 2 2 306.469 3.667 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510728411 340308394 /nfs/dbraw/zinc/30/83/94/340308394.db2.gz AAUZUFXXDLXKNC-CQSZACIVSA-N 2 2 304.384 3.822 20 0 DHADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000511585385 340331474 /nfs/dbraw/zinc/33/14/74/340331474.db2.gz BJAFDWCQGVULFJ-SEVFCGSRSA-N 2 2 306.881 3.904 20 0 DHADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000511585385 340331475 /nfs/dbraw/zinc/33/14/75/340331475.db2.gz BJAFDWCQGVULFJ-SEVFCGSRSA-N 2 2 306.881 3.904 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+]C[C@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000512567949 340367260 /nfs/dbraw/zinc/36/72/60/340367260.db2.gz DQPGZLABOJAKED-CRAIPNDOSA-N 2 2 324.896 3.739 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+]C[C@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000512567949 340367261 /nfs/dbraw/zinc/36/72/61/340367261.db2.gz DQPGZLABOJAKED-CRAIPNDOSA-N 2 2 324.896 3.739 20 0 DHADLP Cc1ccn2cc(CNc3cc[nH+]c4ccc(Cl)cc34)[nH+]c2c1 ZINC000513624997 340415679 /nfs/dbraw/zinc/41/56/79/340415679.db2.gz NKPLXHVXUWSQTG-UHFFFAOYSA-N 2 2 322.799 3.878 20 0 DHADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1sccc1Br ZINC000521225580 340483986 /nfs/dbraw/zinc/48/39/86/340483986.db2.gz FLVMMUZWVFHRGF-NXEZZACHSA-N 2 2 305.285 3.535 20 0 DHADLP C[C@H]([NH2+][C@@H](C)C1CCSCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187564277 340521022 /nfs/dbraw/zinc/52/10/22/340521022.db2.gz FQVYNEZXNAJLPM-MPGHIAIKSA-N 2 2 306.519 3.799 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000236785682 340665069 /nfs/dbraw/zinc/66/50/69/340665069.db2.gz FUSOYXIZXBAPJU-UHFFFAOYSA-N 2 2 323.440 3.922 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2csc(Br)c2)c2ccccc21 ZINC000397365388 340711658 /nfs/dbraw/zinc/71/16/58/340711658.db2.gz NIPFCRXQEWUBTO-OLZOCXBDSA-N 2 2 323.259 3.745 20 0 DHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000529548267 340762248 /nfs/dbraw/zinc/76/22/48/340762248.db2.gz JZFDVAGQBXYRBP-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP Cc1cccc(CCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000538691764 340838249 /nfs/dbraw/zinc/83/82/49/340838249.db2.gz VXWQONFQIUODIO-UHFFFAOYSA-N 2 2 309.457 3.899 20 0 DHADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130707618 341039811 /nfs/dbraw/zinc/03/98/11/341039811.db2.gz MAMGUVMCEPRQBG-BFUOFWGJSA-N 2 2 309.388 3.539 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1nc(C(C)(C)C)cs1 ZINC000543511040 341048063 /nfs/dbraw/zinc/04/80/63/341048063.db2.gz CBUXVMQEIMRLSD-UONOGXRCSA-N 2 2 309.523 3.966 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1nc(C(C)(C)C)cs1 ZINC000543511040 341048064 /nfs/dbraw/zinc/04/80/64/341048064.db2.gz CBUXVMQEIMRLSD-UONOGXRCSA-N 2 2 309.523 3.966 20 0 DHADLP COCC[NH+]1CCC([NH2+][C@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000544577539 341086830 /nfs/dbraw/zinc/08/68/30/341086830.db2.gz HYONRQQHKVVJOK-IBGZPJMESA-N 2 2 320.477 3.520 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000544611231 341088937 /nfs/dbraw/zinc/08/89/37/341088937.db2.gz NCUYACYMMGOTGD-NFAHFFEMSA-N 2 2 308.416 3.642 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000544611231 341088938 /nfs/dbraw/zinc/08/89/38/341088938.db2.gz NCUYACYMMGOTGD-NFAHFFEMSA-N 2 2 308.416 3.642 20 0 DHADLP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000545865348 341143505 /nfs/dbraw/zinc/14/35/05/341143505.db2.gz RRAJYNGZACELNZ-CQSZACIVSA-N 2 2 323.278 3.752 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000545865348 341143506 /nfs/dbraw/zinc/14/35/06/341143506.db2.gz RRAJYNGZACELNZ-CQSZACIVSA-N 2 2 323.278 3.752 20 0 DHADLP C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000546017408 341151446 /nfs/dbraw/zinc/15/14/46/341151446.db2.gz JCJXISPLCPLNAV-IIDMSEBBSA-N 2 2 302.487 3.960 20 0 DHADLP Cc1nc(N2CC[NH+]([C@@H](C)c3ccc(C(C)C)cc3)CC2)cc[nH+]1 ZINC000546103169 341153938 /nfs/dbraw/zinc/15/39/38/341153938.db2.gz GNQFAMWBAPBOGY-INIZCTEOSA-N 2 2 324.472 3.792 20 0 DHADLP c1cn(CC[N@@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)c[nH+]1 ZINC000133376126 341174242 /nfs/dbraw/zinc/17/42/42/341174242.db2.gz WCYIHZWXQPBAOI-OAQYLSRUSA-N 2 2 317.436 3.725 20 0 DHADLP c1cn(CC[N@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)c[nH+]1 ZINC000133376126 341174243 /nfs/dbraw/zinc/17/42/43/341174243.db2.gz WCYIHZWXQPBAOI-OAQYLSRUSA-N 2 2 317.436 3.725 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CCC2 ZINC000133912693 341199383 /nfs/dbraw/zinc/19/93/83/341199383.db2.gz YJARWQONSSRJKP-HKUYNNGSSA-N 2 2 312.388 3.751 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CCC2 ZINC000133912693 341199384 /nfs/dbraw/zinc/19/93/84/341199384.db2.gz YJARWQONSSRJKP-HKUYNNGSSA-N 2 2 312.388 3.751 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CC=C(C)CC1)CC3 ZINC000547278982 341203344 /nfs/dbraw/zinc/20/33/44/341203344.db2.gz HBAXMOLYNHXJBK-KRWDZBQOSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CC=C(C)CC1)CC3 ZINC000547278982 341203345 /nfs/dbraw/zinc/20/33/45/341203345.db2.gz HBAXMOLYNHXJBK-KRWDZBQOSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c2cccc(F)c2[nH+]1 ZINC000549141278 341287074 /nfs/dbraw/zinc/28/70/74/341287074.db2.gz BCTLCPKAIOXCDC-OAHLLOKOSA-N 2 2 313.420 3.604 20 0 DHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549413291 341293948 /nfs/dbraw/zinc/29/39/48/341293948.db2.gz KPGNEOHERSKUQV-QAPCUYQASA-N 2 2 308.416 3.571 20 0 DHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549413291 341293949 /nfs/dbraw/zinc/29/39/49/341293949.db2.gz KPGNEOHERSKUQV-QAPCUYQASA-N 2 2 308.416 3.571 20 0 DHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549413291 341293950 /nfs/dbraw/zinc/29/39/50/341293950.db2.gz KPGNEOHERSKUQV-QAPCUYQASA-N 2 2 308.416 3.571 20 0 DHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549413291 341293951 /nfs/dbraw/zinc/29/39/51/341293951.db2.gz KPGNEOHERSKUQV-QAPCUYQASA-N 2 2 308.416 3.571 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245437951 341294050 /nfs/dbraw/zinc/29/40/50/341294050.db2.gz FCWKGMRJZAZUKO-GJZGRUSLSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245437951 341294051 /nfs/dbraw/zinc/29/40/51/341294051.db2.gz FCWKGMRJZAZUKO-GJZGRUSLSA-N 2 2 308.416 3.834 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000551029480 341329477 /nfs/dbraw/zinc/32/94/77/341329477.db2.gz GJTZKMIFBWVTAP-MJGOQNOKSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000551029480 341329478 /nfs/dbraw/zinc/32/94/78/341329478.db2.gz GJTZKMIFBWVTAP-MJGOQNOKSA-N 2 2 316.395 3.890 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1COc2ccccc2C1)c1ccccc1 ZINC000551050382 341330223 /nfs/dbraw/zinc/33/02/23/341330223.db2.gz HBHZCKZEQCYOFH-LPHOPBHVSA-N 2 2 324.468 3.709 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246225404 341335433 /nfs/dbraw/zinc/33/54/33/341335433.db2.gz DYWRPOIQQWLNRP-XNJGSVPQSA-N 2 2 305.372 3.805 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246225404 341335434 /nfs/dbraw/zinc/33/54/34/341335434.db2.gz DYWRPOIQQWLNRP-XNJGSVPQSA-N 2 2 305.372 3.805 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246225394 341335443 /nfs/dbraw/zinc/33/54/43/341335443.db2.gz DYWRPOIQQWLNRP-IIYDPXPESA-N 2 2 305.372 3.805 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246225394 341335444 /nfs/dbraw/zinc/33/54/44/341335444.db2.gz DYWRPOIQQWLNRP-IIYDPXPESA-N 2 2 305.372 3.805 20 0 DHADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246306208 341341138 /nfs/dbraw/zinc/34/11/38/341341138.db2.gz CXLDGRSGRQIRSC-NEPJUHHUSA-N 2 2 301.261 3.938 20 0 DHADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246306208 341341139 /nfs/dbraw/zinc/34/11/39/341341139.db2.gz CXLDGRSGRQIRSC-NEPJUHHUSA-N 2 2 301.261 3.938 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551570325 341345938 /nfs/dbraw/zinc/34/59/38/341345938.db2.gz NALFOAHYWSSPJP-CYBMUJFWSA-N 2 2 319.399 3.609 20 0 DHADLP Clc1ccc(C2CC([NH2+]Cc3c[nH+]c4n3CCCC4)C2)cc1 ZINC000551573644 341346046 /nfs/dbraw/zinc/34/60/46/341346046.db2.gz XLYIQGJMIZDICU-UHFFFAOYSA-N 2 2 315.848 3.909 20 0 DHADLP CCOc1c(Cl)cccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551617593 341347305 /nfs/dbraw/zinc/34/73/05/341347305.db2.gz WBWAJQJBDMSQHU-UHFFFAOYSA-N 2 2 319.836 3.561 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1 ZINC000551791994 341351811 /nfs/dbraw/zinc/35/18/11/341351811.db2.gz XQGUEGFUBVZHPE-XNFNUYLZSA-N 2 2 316.489 3.651 20 0 DHADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000551833219 341353319 /nfs/dbraw/zinc/35/33/19/341353319.db2.gz LMGZBKKKJGCMMD-OXQOHEQNSA-N 2 2 312.457 3.691 20 0 DHADLP CCc1ccc([C@H](C[NH2+]C[C@@H]2CCCOC2)[NH+](CC)CC)cc1 ZINC000552064487 341366665 /nfs/dbraw/zinc/36/66/65/341366665.db2.gz UDJFEEAHQUKHMI-ICSRJNTNSA-N 2 2 318.505 3.648 20 0 DHADLP CCc1ccc([C@@H](C[NH2+]C[C@@H]2CCCOC2)[NH+](CC)CC)cc1 ZINC000552064486 341366746 /nfs/dbraw/zinc/36/67/46/341366746.db2.gz UDJFEEAHQUKHMI-AZUAARDMSA-N 2 2 318.505 3.648 20 0 DHADLP Clc1ccccc1C1CC([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000552234747 341380179 /nfs/dbraw/zinc/38/01/79/341380179.db2.gz BLSQNZANSOFUQZ-UHFFFAOYSA-N 2 2 315.848 3.909 20 0 DHADLP C[C@@H]1CC[N@H+](CCSCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248720135 341385244 /nfs/dbraw/zinc/38/52/44/341385244.db2.gz GKTVIPPOPIDUPC-SJLPKXTDSA-N 2 2 315.486 3.699 20 0 DHADLP C[C@@H]1CC[N@@H+](CCSCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248720135 341385245 /nfs/dbraw/zinc/38/52/45/341385245.db2.gz GKTVIPPOPIDUPC-SJLPKXTDSA-N 2 2 315.486 3.699 20 0 DHADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000089693500 341407152 /nfs/dbraw/zinc/40/71/52/341407152.db2.gz VABANFJSHFWYQS-HNNXBMFYSA-N 2 2 310.228 3.857 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C[C@@H]1C ZINC000554934676 341469719 /nfs/dbraw/zinc/46/97/19/341469719.db2.gz AJYZNMJDOHICRI-IPYPFGDCSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@H](C[NH2+][C@H](C)c1nc2c(s1)CCCC2)C[NH+]1CCCCC1 ZINC000093399627 341471474 /nfs/dbraw/zinc/47/14/74/341471474.db2.gz HJPSXQSJZYALBM-HUUCEWRRSA-N 2 2 321.534 3.795 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1nccc2ccccc21 ZINC000554988514 341471876 /nfs/dbraw/zinc/47/18/76/341471876.db2.gz MIZJKSIYVQXLED-OAHLLOKOSA-N 2 2 316.408 3.776 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000556202335 341497066 /nfs/dbraw/zinc/49/70/66/341497066.db2.gz LYRVFFCTNXFWRA-SSDMNJCBSA-N 2 2 304.400 3.572 20 0 DHADLP C[C@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000566089046 341547414 /nfs/dbraw/zinc/54/74/14/341547414.db2.gz GDCFHVPBOPYBOJ-MJEQTWJJSA-N 2 2 304.434 3.707 20 0 DHADLP CC[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C(C)C ZINC000153959772 341582248 /nfs/dbraw/zinc/58/22/48/341582248.db2.gz RDMRDRHYCSXQLY-IEBWSBKVSA-N 2 2 318.505 3.911 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@H](C)Cn3cc[nH+]c3)ccc2c1 ZINC000268851960 341605082 /nfs/dbraw/zinc/60/50/82/341605082.db2.gz WQAXMPBYJVJZHN-HUUCEWRRSA-N 2 2 309.413 3.784 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000573115452 341717362 /nfs/dbraw/zinc/71/73/62/341717362.db2.gz WBHJKDNPXHTOIC-UHFFFAOYSA-N 2 2 320.440 3.963 20 0 DHADLP COc1cccc2c(NC[C@@H]3CCCn4cc(C)[nH+]c43)cc[nH+]c12 ZINC000576898753 341868661 /nfs/dbraw/zinc/86/86/61/341868661.db2.gz MGYUMCWLFBPUMS-AWEZNQCLSA-N 2 2 322.412 3.738 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C(C)(C)c2ccc(OCC(C)C)cc2)n1C ZINC000577411239 341908704 /nfs/dbraw/zinc/90/87/04/341908704.db2.gz HKCATRVMOVPFPH-UHFFFAOYSA-N 2 2 315.461 3.788 20 0 DHADLP Brc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267474049 518220106 /nfs/dbraw/zinc/22/01/06/518220106.db2.gz FEVVSBINFTZFOR-UHFFFAOYSA-N 2 2 320.234 3.552 20 0 DHADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)[NH+](C)C ZINC000337329527 519353606 /nfs/dbraw/zinc/35/36/06/519353606.db2.gz FXDBDBVEXYGPIM-BHIYHBOVSA-N 2 2 303.494 3.674 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181125511 520742208 /nfs/dbraw/zinc/74/22/08/520742208.db2.gz DCTSYRIWDDJHQT-LSDHHAIUSA-N 2 2 301.434 3.553 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181125511 520742211 /nfs/dbraw/zinc/74/22/11/520742211.db2.gz DCTSYRIWDDJHQT-LSDHHAIUSA-N 2 2 301.434 3.553 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1OCC ZINC000156596240 521257493 /nfs/dbraw/zinc/25/74/93/521257493.db2.gz MVADIYHXPDOJJH-RDJZCZTQSA-N 2 2 320.477 3.619 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1OCC ZINC000156596240 521257496 /nfs/dbraw/zinc/25/74/96/521257496.db2.gz MVADIYHXPDOJJH-RDJZCZTQSA-N 2 2 320.477 3.619 20 0 DHADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccccc1C ZINC000267089496 521295498 /nfs/dbraw/zinc/29/54/98/521295498.db2.gz UEMLLAZFHBIBLO-UHFFFAOYSA-N 2 2 306.413 3.598 20 0 DHADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccccc1C ZINC000267089496 521295508 /nfs/dbraw/zinc/29/55/08/521295508.db2.gz UEMLLAZFHBIBLO-UHFFFAOYSA-N 2 2 306.413 3.598 20 0 DHADLP COCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000338009376 521977631 /nfs/dbraw/zinc/97/76/31/521977631.db2.gz QLALOCGQGVMWHH-YJBOKZPZSA-N 2 2 315.461 3.974 20 0 DHADLP COC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C)o1 ZINC000156370093 522344740 /nfs/dbraw/zinc/34/47/40/522344740.db2.gz BFDOEDKSBCPLGY-GOSISDBHSA-N 2 2 320.477 3.662 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+]Cc3cccn3C)ccc2n1C1CC1 ZINC000338434825 522482678 /nfs/dbraw/zinc/48/26/78/522482678.db2.gz DAXYDJQPHRHOFR-UHFFFAOYSA-N 2 2 308.429 3.562 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338313104 522596343 /nfs/dbraw/zinc/59/63/43/522596343.db2.gz HRCPJHYLUYHQCD-HUUCEWRRSA-N 2 2 311.420 3.908 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338313104 522596354 /nfs/dbraw/zinc/59/63/54/522596354.db2.gz HRCPJHYLUYHQCD-HUUCEWRRSA-N 2 2 311.420 3.908 20 0 DHADLP COCC1(CC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000339444306 522866538 /nfs/dbraw/zinc/86/65/38/522866538.db2.gz GZHBXSHLKRHLGD-PKOBYXMFSA-N 2 2 316.489 3.618 20 0 DHADLP COCC1(CC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000339444306 522866549 /nfs/dbraw/zinc/86/65/49/522866549.db2.gz GZHBXSHLKRHLGD-PKOBYXMFSA-N 2 2 316.489 3.618 20 0 DHADLP COCCC1(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[NH+]2C)CCCCC1 ZINC000372678477 523024859 /nfs/dbraw/zinc/02/48/59/523024859.db2.gz BOMWRZNCHKVNNM-ZWKOTPCHSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[NH+]2C)CCCCC1 ZINC000372678477 523024864 /nfs/dbraw/zinc/02/48/64/523024864.db2.gz BOMWRZNCHKVNNM-ZWKOTPCHSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[NH+]2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC000372678477 523024870 /nfs/dbraw/zinc/02/48/70/523024870.db2.gz BOMWRZNCHKVNNM-ZWKOTPCHSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[NH+]2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC000372678477 523024873 /nfs/dbraw/zinc/02/48/73/523024873.db2.gz BOMWRZNCHKVNNM-ZWKOTPCHSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[NH+]2C)CCCCC1 ZINC000372678462 523026320 /nfs/dbraw/zinc/02/63/20/523026320.db2.gz BOMWRZNCHKVNNM-QZTJIDSGSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[N@H+]2CCC[C@@H]2[C@H]2CCC[NH+]2C)CCCCC1 ZINC000372678462 523026331 /nfs/dbraw/zinc/02/63/31/523026331.db2.gz BOMWRZNCHKVNNM-QZTJIDSGSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[NH+]2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000372678462 523026337 /nfs/dbraw/zinc/02/63/37/523026337.db2.gz BOMWRZNCHKVNNM-QZTJIDSGSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[NH+]2CCC[C@@H]2[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000372678462 523026343 /nfs/dbraw/zinc/02/63/43/523026343.db2.gz BOMWRZNCHKVNNM-QZTJIDSGSA-N 2 2 308.510 3.532 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337325988 524113266 /nfs/dbraw/zinc/11/32/66/524113266.db2.gz CFDBCQKLHXKNCA-AOIWGVFYSA-N 2 2 301.478 3.572 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337325988 524113271 /nfs/dbraw/zinc/11/32/71/524113271.db2.gz CFDBCQKLHXKNCA-AOIWGVFYSA-N 2 2 301.478 3.572 20 0 DHADLP C[C@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000129822745 524301911 /nfs/dbraw/zinc/30/19/11/524301911.db2.gz XZMINXWYMZFNAI-KBPBESRZSA-N 2 2 318.490 3.720 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000129822745 524301916 /nfs/dbraw/zinc/30/19/16/524301916.db2.gz XZMINXWYMZFNAI-KBPBESRZSA-N 2 2 318.490 3.720 20 0 DHADLP C[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1cccc(Cl)c1 ZINC000189827251 524314933 /nfs/dbraw/zinc/31/49/33/524314933.db2.gz BLYADTYFBMIJGH-CQSZACIVSA-N 2 2 303.837 3.977 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)[NH+]1CCC(C)CC1 ZINC000337344844 524503903 /nfs/dbraw/zinc/50/39/03/524503903.db2.gz UNCAZVMBOVLCAS-HBFSDRIKSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1n1cc[nH+]c1 ZINC000156501243 524510432 /nfs/dbraw/zinc/51/04/32/524510432.db2.gz ZLAWIAOHYNLDPV-KDOFPFPSSA-N 2 2 324.403 3.654 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1n1cc[nH+]c1 ZINC000156501243 524510440 /nfs/dbraw/zinc/51/04/40/524510440.db2.gz ZLAWIAOHYNLDPV-KDOFPFPSSA-N 2 2 324.403 3.654 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156428435 524511485 /nfs/dbraw/zinc/51/14/85/524511485.db2.gz AJBPHXJWBCFBTN-BEFAXECRSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156428435 524511498 /nfs/dbraw/zinc/51/14/98/524511498.db2.gz AJBPHXJWBCFBTN-BEFAXECRSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1cccc(Cl)c1 ZINC000189827236 524587926 /nfs/dbraw/zinc/58/79/26/524587926.db2.gz BLYADTYFBMIJGH-AWEZNQCLSA-N 2 2 303.837 3.977 20 0 DHADLP Cc1cccc(NC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000180398879 524670696 /nfs/dbraw/zinc/67/06/96/524670696.db2.gz UOHVAKLELCCEAC-UHFFFAOYSA-N 2 2 320.440 3.719 20 0 DHADLP COc1ccc([C@H](C)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000180719676 525295364 /nfs/dbraw/zinc/29/53/64/525295364.db2.gz MKXYQWRRCNRMFH-FCEWJHQRSA-N 2 2 313.445 3.578 20 0 DHADLP COc1ccc([C@H](C)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000180719676 525295374 /nfs/dbraw/zinc/29/53/74/525295374.db2.gz MKXYQWRRCNRMFH-FCEWJHQRSA-N 2 2 313.445 3.578 20 0 DHADLP C[C@H]([NH2+]CCOCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156963800 525358965 /nfs/dbraw/zinc/35/89/65/525358965.db2.gz FTOYECCRTIRSJJ-KRWDZBQOSA-N 2 2 321.424 3.740 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156374958 525412446 /nfs/dbraw/zinc/41/24/46/525412446.db2.gz HMIRCEMIHPPKFW-WMLDXEAASA-N 2 2 301.459 3.809 20 0 DHADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cnc2ccsc2c1 ZINC000367434952 525477032 /nfs/dbraw/zinc/47/70/32/525477032.db2.gz AIXHPOXQDWJDCS-LBPRGKRZSA-N 2 2 312.442 3.680 20 0 DHADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cnc2ccsc2c1 ZINC000367434951 525550973 /nfs/dbraw/zinc/55/09/73/525550973.db2.gz AIXHPOXQDWJDCS-GFCCVEGCSA-N 2 2 312.442 3.680 20 0 DHADLP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000265084321 526123257 /nfs/dbraw/zinc/12/32/57/526123257.db2.gz SFSUPAIQMGFNBA-FGTMMUONSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1cccnc1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000265084321 526123265 /nfs/dbraw/zinc/12/32/65/526123265.db2.gz SFSUPAIQMGFNBA-FGTMMUONSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1cccnc1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000265084321 526123274 /nfs/dbraw/zinc/12/32/74/526123274.db2.gz SFSUPAIQMGFNBA-FGTMMUONSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1cccnc1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000265084321 526123283 /nfs/dbraw/zinc/12/32/83/526123283.db2.gz SFSUPAIQMGFNBA-FGTMMUONSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000266361063 526125034 /nfs/dbraw/zinc/12/50/34/526125034.db2.gz KQCMVDZTOZQFDW-AWEZNQCLSA-N 2 2 324.453 3.575 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267425555 526184994 /nfs/dbraw/zinc/18/49/94/526184994.db2.gz LKIVJMLQXNFXIW-CHWSQXEVSA-N 2 2 302.422 3.636 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267425555 526184997 /nfs/dbraw/zinc/18/49/97/526184997.db2.gz LKIVJMLQXNFXIW-CHWSQXEVSA-N 2 2 302.422 3.636 20 0 DHADLP Cc1ccc2cc(C[NH2+]CCCCNc3cccc[nH+]3)ccc2n1 ZINC000189312008 526230468 /nfs/dbraw/zinc/23/04/68/526230468.db2.gz YXGHYWXPYNQAMZ-UHFFFAOYSA-N 2 2 320.440 3.920 20 0 DHADLP c1cc2c(nc[nH+]c2Nc2ccc3c(c2)[nH+]c2n3CCCCC2)[nH]1 ZINC000339241152 526444683 /nfs/dbraw/zinc/44/46/83/526444683.db2.gz DGJFIFHZXSVIKZ-UHFFFAOYSA-N 2 2 318.384 3.778 20 0 DHADLP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000130508832 526523490 /nfs/dbraw/zinc/52/34/90/526523490.db2.gz FWKOHKNSLMYJLD-GOSISDBHSA-N 2 2 321.428 3.549 20 0 DHADLP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000130508832 526523493 /nfs/dbraw/zinc/52/34/93/526523493.db2.gz FWKOHKNSLMYJLD-GOSISDBHSA-N 2 2 321.428 3.549 20 0 DHADLP c1cn(-c2ncccc2C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000130457183 526527931 /nfs/dbraw/zinc/52/79/31/526527931.db2.gz AMEGSOHRRYOODE-MJGOQNOKSA-N 2 2 318.424 3.693 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CC[C@H]2C2CCC2)[nH+]1 ZINC000337993583 526535325 /nfs/dbraw/zinc/53/53/25/526535325.db2.gz JXNRATYETHAGOS-OALUTQOASA-N 2 2 309.457 3.642 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)s1 ZINC000336855224 526856757 /nfs/dbraw/zinc/85/67/57/526856757.db2.gz HGICFUGNVKDVSO-KRWDZBQOSA-N 2 2 321.534 3.704 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)s1 ZINC000336855224 526856759 /nfs/dbraw/zinc/85/67/59/526856759.db2.gz HGICFUGNVKDVSO-KRWDZBQOSA-N 2 2 321.534 3.704 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337989273 527169738 /nfs/dbraw/zinc/16/97/38/527169738.db2.gz PAOMRKCAGNIFKG-JKSUJKDBSA-N 2 2 303.425 3.853 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCC(C)(C)C3)[C@H](C)C2)s1 ZINC000363838516 527260874 /nfs/dbraw/zinc/26/08/74/527260874.db2.gz RJFMVJZICMECDR-UNEWFSDZSA-N 2 2 321.534 3.830 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCC(C)(C)C3)[C@H](C)C2)s1 ZINC000363838516 527260879 /nfs/dbraw/zinc/26/08/79/527260879.db2.gz RJFMVJZICMECDR-UNEWFSDZSA-N 2 2 321.534 3.830 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000130524598 527408369 /nfs/dbraw/zinc/40/83/69/527408369.db2.gz AWJIIILPZSCNNZ-UHFFFAOYSA-N 2 2 324.428 3.677 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000130524598 527408374 /nfs/dbraw/zinc/40/83/74/527408374.db2.gz AWJIIILPZSCNNZ-UHFFFAOYSA-N 2 2 324.428 3.677 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000338369453 527412413 /nfs/dbraw/zinc/41/24/13/527412413.db2.gz RXYYCXXUIUQDFX-QGZVFWFLSA-N 2 2 321.827 3.806 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000338369453 527412420 /nfs/dbraw/zinc/41/24/20/527412420.db2.gz RXYYCXXUIUQDFX-QGZVFWFLSA-N 2 2 321.827 3.806 20 0 DHADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328622377 527426614 /nfs/dbraw/zinc/42/66/14/527426614.db2.gz BGCGGGJHKWUTQB-WDSOQIARSA-N 2 2 301.478 3.799 20 0 DHADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328622377 527426619 /nfs/dbraw/zinc/42/66/19/527426619.db2.gz BGCGGGJHKWUTQB-WDSOQIARSA-N 2 2 301.478 3.799 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000365652161 527457535 /nfs/dbraw/zinc/45/75/35/527457535.db2.gz ZDACWKMGNLZMNZ-CQSZACIVSA-N 2 2 323.362 3.819 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000365652161 527457539 /nfs/dbraw/zinc/45/75/39/527457539.db2.gz ZDACWKMGNLZMNZ-CQSZACIVSA-N 2 2 323.362 3.819 20 0 DHADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267465676 527687067 /nfs/dbraw/zinc/68/70/67/527687067.db2.gz WFSIFAMNHLZJDK-ZDUSSCGKSA-N 2 2 309.335 3.808 20 0 DHADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267465676 527687068 /nfs/dbraw/zinc/68/70/68/527687068.db2.gz WFSIFAMNHLZJDK-ZDUSSCGKSA-N 2 2 309.335 3.808 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2F)o1)Cn1cc[nH+]c1 ZINC000340433241 1013103870 /nfs/dbraw/zinc/10/38/70/1013103870.db2.gz OHTKWWNWHFVGAF-CQSZACIVSA-N 2 2 313.376 3.708 20 0 DHADLP CCc1noc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000340438636 1013111029 /nfs/dbraw/zinc/11/10/29/1013111029.db2.gz DDWGPVGRAOOCAL-LIRRHRJNSA-N 2 2 319.493 3.678 20 0 DHADLP Fc1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167963673 1013187572 /nfs/dbraw/zinc/18/75/72/1013187572.db2.gz AUTHCQOWBHPLPX-ALOPSCKCSA-N 2 2 322.855 3.974 20 0 DHADLP Fc1ccc(Cl)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167963673 1013187579 /nfs/dbraw/zinc/18/75/79/1013187579.db2.gz AUTHCQOWBHPLPX-ALOPSCKCSA-N 2 2 322.855 3.974 20 0 DHADLP Cc1csc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167964368 1013208372 /nfs/dbraw/zinc/20/83/72/1013208372.db2.gz PRZAEXOXSLFBRD-WWTUQBGBSA-N 2 2 305.491 3.508 20 0 DHADLP Cc1csc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167964368 1013208382 /nfs/dbraw/zinc/20/83/82/1013208382.db2.gz PRZAEXOXSLFBRD-WWTUQBGBSA-N 2 2 305.491 3.508 20 0 DHADLP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000518932852 1013248774 /nfs/dbraw/zinc/24/87/74/1013248774.db2.gz NDEJLDKRPXJITB-UHFFFAOYSA-N 2 2 311.351 3.780 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCC2(F)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000558424803 1013265894 /nfs/dbraw/zinc/26/58/94/1013265894.db2.gz DLNCNYTXQPOINV-SJLPKXTDSA-N 2 2 304.453 3.769 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCC2(F)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000558424803 1013265898 /nfs/dbraw/zinc/26/58/98/1013265898.db2.gz DLNCNYTXQPOINV-SJLPKXTDSA-N 2 2 304.453 3.769 20 0 DHADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000121257951 1013510348 /nfs/dbraw/zinc/51/03/48/1013510348.db2.gz JTGJEKQAQJAFCW-QGZVFWFLSA-N 2 2 317.383 3.829 20 0 DHADLP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2c(Cl)cccc12 ZINC000342802443 1013535773 /nfs/dbraw/zinc/53/57/73/1013535773.db2.gz MIKYQRNZDBSOIE-UHFFFAOYSA-N 2 2 314.820 3.920 20 0 DHADLP Cc1ccccc1[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000655711769 1013658132 /nfs/dbraw/zinc/65/81/32/1013658132.db2.gz LQXLHQOTFZJJBC-QUCCMNQESA-N 2 2 316.489 3.535 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000655721147 1013664980 /nfs/dbraw/zinc/66/49/80/1013664980.db2.gz LRUAYDATESWTAY-KBXCAEBGSA-N 2 2 321.428 3.563 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1OC(F)F ZINC000655848346 1013773486 /nfs/dbraw/zinc/77/34/86/1013773486.db2.gz HUEGTAFZNJAAPR-NUEKZKHPSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1OC(F)F ZINC000655848346 1013773491 /nfs/dbraw/zinc/77/34/91/1013773491.db2.gz HUEGTAFZNJAAPR-NUEKZKHPSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cccn2)cc1 ZINC000655848190 1013773564 /nfs/dbraw/zinc/77/35/64/1013773564.db2.gz GRHHPKQHFMGZQV-VDGAXYAQSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(-n2cccn2)cc1 ZINC000655848190 1013773570 /nfs/dbraw/zinc/77/35/70/1013773570.db2.gz GRHHPKQHFMGZQV-VDGAXYAQSA-N 2 2 324.472 3.540 20 0 DHADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cnn1C(C)(C)C ZINC000655848814 1013779543 /nfs/dbraw/zinc/77/95/43/1013779543.db2.gz LFVDPTAMCMLEJK-QGTPRVQTSA-N 2 2 318.509 3.614 20 0 DHADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cnn1C(C)(C)C ZINC000655848814 1013779549 /nfs/dbraw/zinc/77/95/49/1013779549.db2.gz LFVDPTAMCMLEJK-QGTPRVQTSA-N 2 2 318.509 3.614 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000070149836 1013798444 /nfs/dbraw/zinc/79/84/44/1013798444.db2.gz KMKDKUMLZACAOI-INIZCTEOSA-N 2 2 301.459 3.513 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000070149836 1013798446 /nfs/dbraw/zinc/79/84/46/1013798446.db2.gz KMKDKUMLZACAOI-INIZCTEOSA-N 2 2 301.459 3.513 20 0 DHADLP Cc1[nH+]c2ccc(-n3ccc4cc(C[NH3+])cnc43)cc2n1C(C)C ZINC001167313274 1013814116 /nfs/dbraw/zinc/81/41/16/1013814116.db2.gz IJWXVODFKNKQSQ-UHFFFAOYSA-N 2 2 319.412 3.723 20 0 DHADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683694981 1013867859 /nfs/dbraw/zinc/86/78/59/1013867859.db2.gz WBJXYPNOVDFIDW-HNAYVOBHSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683694981 1013867881 /nfs/dbraw/zinc/86/78/81/1013867881.db2.gz WBJXYPNOVDFIDW-HNAYVOBHSA-N 2 2 304.453 3.753 20 0 DHADLP Cc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2cc(F)ccc2[nH+]1 ZINC000129859843 1014225099 /nfs/dbraw/zinc/22/50/99/1014225099.db2.gz JTCLQXSZIKFOSH-ORAYPTAESA-N 2 2 324.403 3.966 20 0 DHADLP Cc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c2cc(F)ccc2[nH+]1 ZINC000129845513 1014226450 /nfs/dbraw/zinc/22/64/50/1014226450.db2.gz IYEILIWNBFOKTC-INIZCTEOSA-N 2 2 323.371 3.735 20 0 DHADLP C[C@@H]1CC([NH2+]Cc2cncs2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005520 1014402318 /nfs/dbraw/zinc/40/23/18/1014402318.db2.gz JGCZFWIKQUSWOG-HUUCEWRRSA-N 2 2 315.486 3.674 20 0 DHADLP Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168005763 1014403985 /nfs/dbraw/zinc/40/39/85/1014403985.db2.gz KGFOQCHABAXUMC-RMFSNUHRSA-N 2 2 323.484 3.921 20 0 DHADLP Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168005763 1014403995 /nfs/dbraw/zinc/40/39/95/1014403995.db2.gz KGFOQCHABAXUMC-RMFSNUHRSA-N 2 2 323.484 3.921 20 0 DHADLP Cc1nocc1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168007003 1014426966 /nfs/dbraw/zinc/42/69/66/1014426966.db2.gz QEEGFFKRVHINBQ-HUUCEWRRSA-N 2 2 313.445 3.514 20 0 DHADLP CS[C@@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895131201 1014505680 /nfs/dbraw/zinc/50/56/80/1014505680.db2.gz GTZWAODVWZZNBR-QBPKDAKJSA-N 2 2 319.518 3.832 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Br)cc1F ZINC000665247720 1014543578 /nfs/dbraw/zinc/54/35/78/1014543578.db2.gz ITBFDWJFBOJDGB-JTQLQIEISA-N 2 2 315.230 3.510 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1OC ZINC000427867473 1014543670 /nfs/dbraw/zinc/54/36/70/1014543670.db2.gz BRHBPXYMFZXFBY-ZFWWWQNUSA-N 2 2 319.836 3.601 20 0 DHADLP COc1ccc([C@H]([NH2+]CC2([NH3+])CCCC2)c2ccccc2)cc1 ZINC000665248229 1014544260 /nfs/dbraw/zinc/54/42/60/1014544260.db2.gz SIHMSIBFARVLBL-LJQANCHMSA-N 2 2 310.441 3.646 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)cc(Cl)c1 ZINC000427883534 1014549033 /nfs/dbraw/zinc/54/90/33/1014549033.db2.gz FETDJORFZVDVHC-YGRLFVJLSA-N 2 2 310.228 3.856 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000581098613 1014559409 /nfs/dbraw/zinc/55/94/09/1014559409.db2.gz HJCUEIGRBDOHDI-DWTRPJMMSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000581098613 1014559415 /nfs/dbraw/zinc/55/94/15/1014559415.db2.gz HJCUEIGRBDOHDI-DWTRPJMMSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000581098613 1014559432 /nfs/dbraw/zinc/55/94/32/1014559432.db2.gz HJCUEIGRBDOHDI-DWTRPJMMSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000581098613 1014559449 /nfs/dbraw/zinc/55/94/49/1014559449.db2.gz HJCUEIGRBDOHDI-DWTRPJMMSA-N 2 2 308.416 3.642 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)[nH+]c2c1 ZINC000428156769 1014587074 /nfs/dbraw/zinc/58/70/74/1014587074.db2.gz NUOMOMOFIYDOJP-VQIMIIECSA-N 2 2 309.457 3.772 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)[nH+]c2c1 ZINC000428156769 1014587083 /nfs/dbraw/zinc/58/70/83/1014587083.db2.gz NUOMOMOFIYDOJP-VQIMIIECSA-N 2 2 309.457 3.772 20 0 DHADLP C[NH+]1CCC([C@H]2CCN(c3[nH+]ccc4cc(F)ccc43)C2)CC1 ZINC000581545584 1014982453 /nfs/dbraw/zinc/98/24/53/1014982453.db2.gz SHPMDHWXFHJVQI-INIZCTEOSA-N 2 2 313.420 3.542 20 0 DHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443651781 1015075310 /nfs/dbraw/zinc/07/53/10/1015075310.db2.gz JSVSOSXXDHZBSH-JKSUJKDBSA-N 2 2 322.880 3.668 20 0 DHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443651781 1015075322 /nfs/dbraw/zinc/07/53/22/1015075322.db2.gz JSVSOSXXDHZBSH-JKSUJKDBSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443651781 1015075329 /nfs/dbraw/zinc/07/53/29/1015075329.db2.gz JSVSOSXXDHZBSH-JKSUJKDBSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443651781 1015075337 /nfs/dbraw/zinc/07/53/37/1015075337.db2.gz JSVSOSXXDHZBSH-JKSUJKDBSA-N 2 2 322.880 3.668 20 0 DHADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1sccc1Br ZINC000566088121 1015161712 /nfs/dbraw/zinc/16/17/12/1015161712.db2.gz BATPDCZNUGZOMV-SECBINFHSA-N 2 2 305.285 3.679 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000684376949 1015206323 /nfs/dbraw/zinc/20/63/23/1015206323.db2.gz NDMQYXDFPZSAKY-QWQRMKEZSA-N 2 2 306.881 3.906 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000684376949 1015206328 /nfs/dbraw/zinc/20/63/28/1015206328.db2.gz NDMQYXDFPZSAKY-QWQRMKEZSA-N 2 2 306.881 3.906 20 0 DHADLP Cc1ccccc1C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000581827438 1015350224 /nfs/dbraw/zinc/35/02/24/1015350224.db2.gz RIRPDPXQHXJHLM-NRFANRHFSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1ccccc1C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccn1 ZINC000581827438 1015350230 /nfs/dbraw/zinc/35/02/30/1015350230.db2.gz RIRPDPXQHXJHLM-NRFANRHFSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1ccccc1C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccn1 ZINC000581827438 1015350237 /nfs/dbraw/zinc/35/02/37/1015350237.db2.gz RIRPDPXQHXJHLM-NRFANRHFSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccn1 ZINC000581827438 1015350241 /nfs/dbraw/zinc/35/02/41/1015350241.db2.gz RIRPDPXQHXJHLM-NRFANRHFSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000361829375 1032116934 /nfs/dbraw/zinc/11/69/34/1032116934.db2.gz HXSMGQSDGVSMHP-SFHVURJKSA-N 2 2 315.486 3.754 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000361829375 1032116941 /nfs/dbraw/zinc/11/69/41/1032116941.db2.gz HXSMGQSDGVSMHP-SFHVURJKSA-N 2 2 315.486 3.754 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000474627507 1015500961 /nfs/dbraw/zinc/50/09/61/1015500961.db2.gz OJMPRGOPFQGVNF-KRWDZBQOSA-N 2 2 316.489 3.577 20 0 DHADLP C[C@@H]([NH2+]Cc1nc(C[NH+](C)C)cs1)[C@H]1CC2CCC1CC2 ZINC000896312058 1015546781 /nfs/dbraw/zinc/54/67/81/1015546781.db2.gz ZMEXBMHPDFATJB-UWLZSVRSSA-N 2 2 307.507 3.509 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474712648 1015560342 /nfs/dbraw/zinc/56/03/42/1015560342.db2.gz NWGKTFZEEKVBAZ-XYJFISCASA-N 2 2 304.478 3.651 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474712648 1015560349 /nfs/dbraw/zinc/56/03/49/1015560349.db2.gz NWGKTFZEEKVBAZ-XYJFISCASA-N 2 2 304.478 3.651 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846875214 1032119560 /nfs/dbraw/zinc/11/95/60/1032119560.db2.gz QAMSTCYDQRRUQE-UHFFFAOYSA-N 2 2 324.831 3.545 20 0 DHADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000639378973 1015688340 /nfs/dbraw/zinc/68/83/40/1015688340.db2.gz KCUBZGDYIYAQCK-UHFFFAOYSA-N 2 2 315.436 3.680 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]C1CC(C)(c2ccccc2)C1)c1cccnc1 ZINC000896723303 1015714340 /nfs/dbraw/zinc/71/43/40/1015714340.db2.gz RWSXRJLQAMKJQD-NYLDSWQDSA-N 2 2 323.484 3.784 20 0 DHADLP COc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccccc2)cc1 ZINC000346333992 1015833085 /nfs/dbraw/zinc/83/30/85/1015833085.db2.gz WZHZBZPFQRKRJN-UHFFFAOYSA-N 2 2 321.424 3.594 20 0 DHADLP COc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc2)cc1 ZINC000346333992 1015833090 /nfs/dbraw/zinc/83/30/90/1015833090.db2.gz WZHZBZPFQRKRJN-UHFFFAOYSA-N 2 2 321.424 3.594 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1F ZINC000150981770 1016002171 /nfs/dbraw/zinc/00/21/71/1016002171.db2.gz CPCQPXLMAPOVFT-TZMCWYRMSA-N 2 2 319.449 3.718 20 0 DHADLP C[C@H]([NH2+][C@@H](CCO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361877290 1032140096 /nfs/dbraw/zinc/14/00/96/1032140096.db2.gz LUMWPWKLILUJJO-JXFKEZNVSA-N 2 2 321.424 3.647 20 0 DHADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152102580 1016345200 /nfs/dbraw/zinc/34/52/00/1016345200.db2.gz ZWQLSVUEGQYPEH-KKSFZXQISA-N 2 2 317.436 3.955 20 0 DHADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152216753 1016398105 /nfs/dbraw/zinc/39/81/05/1016398105.db2.gz HUJOCYOVVBBMAI-GOSISDBHSA-N 2 2 307.372 3.789 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000152246155 1016428652 /nfs/dbraw/zinc/42/86/52/1016428652.db2.gz JLRVTHKXIKLMHK-GOSISDBHSA-N 2 2 307.372 3.789 20 0 DHADLP C[C@@H](CCC1CC1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000346559210 1016439679 /nfs/dbraw/zinc/43/96/79/1016439679.db2.gz ZJXROPUWOMTYBW-HNNXBMFYSA-N 2 2 316.493 3.603 20 0 DHADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000152259263 1016445572 /nfs/dbraw/zinc/44/55/72/1016445572.db2.gz MWZQXWKMBGRZSB-HNNXBMFYSA-N 2 2 307.397 3.732 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000184972627 1016471791 /nfs/dbraw/zinc/47/17/91/1016471791.db2.gz NCLWZHXDYKHFDC-ZDUSSCGKSA-N 2 2 310.869 3.817 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000346641312 1016493080 /nfs/dbraw/zinc/49/30/80/1016493080.db2.gz LREKRGQLXCTXET-ZJUUUORDSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000346641312 1016493075 /nfs/dbraw/zinc/49/30/75/1016493075.db2.gz LREKRGQLXCTXET-ZJUUUORDSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(Cl)ccc1O ZINC000185074781 1016533485 /nfs/dbraw/zinc/53/34/85/1016533485.db2.gz FDDXEDZVBLPABC-GFCCVEGCSA-N 2 2 308.853 3.571 20 0 DHADLP Fc1cccc(F)c1C[N@@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000342480050 1016572088 /nfs/dbraw/zinc/57/20/88/1016572088.db2.gz MFNSMMJPYDGBNT-UHFFFAOYSA-N 2 2 319.399 3.996 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000347010123 1016684831 /nfs/dbraw/zinc/68/48/31/1016684831.db2.gz FZALCEINQWIVCE-TZMCWYRMSA-N 2 2 319.449 3.508 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000347010123 1016684906 /nfs/dbraw/zinc/68/49/06/1016684906.db2.gz FZALCEINQWIVCE-TZMCWYRMSA-N 2 2 319.449 3.508 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000172847895 1016740938 /nfs/dbraw/zinc/74/09/38/1016740938.db2.gz WAAYWJGVWDHTGP-WCQYABFASA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000172847895 1016740950 /nfs/dbraw/zinc/74/09/50/1016740950.db2.gz WAAYWJGVWDHTGP-WCQYABFASA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000172847895 1016740961 /nfs/dbraw/zinc/74/09/61/1016740961.db2.gz WAAYWJGVWDHTGP-WCQYABFASA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000172847895 1016740975 /nfs/dbraw/zinc/74/09/75/1016740975.db2.gz WAAYWJGVWDHTGP-WCQYABFASA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1CC(F)(F)CC[NH+]1CCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980166 1016848689 /nfs/dbraw/zinc/84/86/89/1016848689.db2.gz GYDKIVZKEHFKEV-STQMWFEESA-N 2 2 310.379 3.616 20 0 DHADLP C[C@H]1CC(F)(F)CC[NH+]1CCC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980166 1016848704 /nfs/dbraw/zinc/84/87/04/1016848704.db2.gz GYDKIVZKEHFKEV-STQMWFEESA-N 2 2 310.379 3.616 20 0 DHADLP Fc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281981737 1016849978 /nfs/dbraw/zinc/84/99/78/1016849978.db2.gz HRBYNOKPXSSFAU-MRXNPFEDSA-N 2 2 313.420 3.738 20 0 DHADLP Fc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281981737 1016849991 /nfs/dbraw/zinc/84/99/91/1016849991.db2.gz HRBYNOKPXSSFAU-MRXNPFEDSA-N 2 2 313.420 3.738 20 0 DHADLP CC(C)COc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000342630581 1016888875 /nfs/dbraw/zinc/88/88/75/1016888875.db2.gz CHKBWYCFWRUBPQ-KRWDZBQOSA-N 2 2 313.445 3.824 20 0 DHADLP CC(C)COc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000342630581 1016888889 /nfs/dbraw/zinc/88/88/89/1016888889.db2.gz CHKBWYCFWRUBPQ-KRWDZBQOSA-N 2 2 313.445 3.824 20 0 DHADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000262436794 1017006276 /nfs/dbraw/zinc/00/62/76/1017006276.db2.gz GKVDRYDGUVSVSC-KBRIMQKVSA-N 2 2 322.880 3.749 20 0 DHADLP CC(C)O[C@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000361912635 1032153029 /nfs/dbraw/zinc/15/30/29/1032153029.db2.gz BVTKDDNIGWWYHI-HOTGVXAUSA-N 2 2 319.474 3.616 20 0 DHADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(F)ccc1F ZINC000361922372 1032155488 /nfs/dbraw/zinc/15/54/88/1032155488.db2.gz IIUQFCDRTXXMJO-MRXNPFEDSA-N 2 2 305.372 3.903 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)c(Cl)cc2F)CC1(C)C ZINC000623510263 1017075806 /nfs/dbraw/zinc/07/58/06/1017075806.db2.gz PJZQASXDJAKLMO-NSHDSACASA-N 2 2 302.796 3.581 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)c(Cl)cc2F)CC1(C)C ZINC000623510263 1017075817 /nfs/dbraw/zinc/07/58/17/1017075817.db2.gz PJZQASXDJAKLMO-NSHDSACASA-N 2 2 302.796 3.581 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccn2CCC(C)C)C[C@H]1C ZINC000537617074 1032290211 /nfs/dbraw/zinc/29/02/11/1032290211.db2.gz XSIVQWKHCXQWRG-QZTJIDSGSA-N 2 2 305.510 3.839 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccn2CCC(C)C)C[C@H]1C ZINC000537617074 1032290228 /nfs/dbraw/zinc/29/02/28/1032290228.db2.gz XSIVQWKHCXQWRG-QZTJIDSGSA-N 2 2 305.510 3.839 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccn2CCC(C)C)C[C@H]1C ZINC000537617074 1032290239 /nfs/dbraw/zinc/29/02/39/1032290239.db2.gz XSIVQWKHCXQWRG-QZTJIDSGSA-N 2 2 305.510 3.839 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccn2CCC(C)C)C[C@H]1C ZINC000537617074 1032290249 /nfs/dbraw/zinc/29/02/49/1032290249.db2.gz XSIVQWKHCXQWRG-QZTJIDSGSA-N 2 2 305.510 3.839 20 0 DHADLP Fc1cc(C[NH2+][C@@H]2CCCc3cccnc32)ccc1-n1cc[nH+]c1 ZINC000684955256 1017086198 /nfs/dbraw/zinc/08/61/98/1017086198.db2.gz IOYCYCVVTWFOGG-QGZVFWFLSA-N 2 2 322.387 3.574 20 0 DHADLP C[C@H]1C[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001168059702 1017086708 /nfs/dbraw/zinc/08/67/08/1017086708.db2.gz GLBCKCOFBCMNOO-XSLAGTTESA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@]1(C[NH2+]C2CCSCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000121794611 1032479219 /nfs/dbraw/zinc/47/92/19/1032479219.db2.gz FIJPDMDZIVKJAQ-SFHVURJKSA-N 2 2 304.503 3.526 20 0 DHADLP C[C@@]1(C[NH2+]C2CCSCC2)CCC[N@H+]1Cc1ccccc1 ZINC000121794611 1032479225 /nfs/dbraw/zinc/47/92/25/1032479225.db2.gz FIJPDMDZIVKJAQ-SFHVURJKSA-N 2 2 304.503 3.526 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1(C)C ZINC000623541215 1017097686 /nfs/dbraw/zinc/09/76/86/1017097686.db2.gz YNIHZJAPOBUFMU-AAEUAGOBSA-N 2 2 312.379 3.554 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1(C)C ZINC000623541215 1017097705 /nfs/dbraw/zinc/09/77/05/1017097705.db2.gz YNIHZJAPOBUFMU-AAEUAGOBSA-N 2 2 312.379 3.554 20 0 DHADLP CCC1(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000773050883 1032542836 /nfs/dbraw/zinc/54/28/36/1032542836.db2.gz VCMDCCJCLMHIIS-UHFFFAOYSA-N 2 2 301.478 3.501 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC3=CCCC3)CC2)cc1 ZINC000773099734 1032557929 /nfs/dbraw/zinc/55/79/29/1032557929.db2.gz AYVAHRRSVHAVJM-UHFFFAOYSA-N 2 2 313.489 3.811 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000537648428 1032579147 /nfs/dbraw/zinc/57/91/47/1032579147.db2.gz RNDCWGRQNGJGCP-QGPMSJSTSA-N 2 2 302.462 3.567 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000537648428 1032579150 /nfs/dbraw/zinc/57/91/50/1032579150.db2.gz RNDCWGRQNGJGCP-QGPMSJSTSA-N 2 2 302.462 3.567 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000537648428 1032579155 /nfs/dbraw/zinc/57/91/55/1032579155.db2.gz RNDCWGRQNGJGCP-QGPMSJSTSA-N 2 2 302.462 3.567 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000537648428 1032579163 /nfs/dbraw/zinc/57/91/63/1032579163.db2.gz RNDCWGRQNGJGCP-QGPMSJSTSA-N 2 2 302.462 3.567 20 0 DHADLP CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000348041421 1012385264 /nfs/dbraw/zinc/38/52/64/1012385264.db2.gz NJQWQOBVJQQGJU-CVEARBPZSA-N 2 2 314.477 3.562 20 0 DHADLP Cc1cc(C[NH+]2CCC([N@H+]3CCC[C@H]3C)CC2)c2ccccc2n1 ZINC000366621276 1012396361 /nfs/dbraw/zinc/39/63/61/1012396361.db2.gz UUHWTVDWROFLCR-QGZVFWFLSA-N 2 2 323.484 3.992 20 0 DHADLP Cc1cc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C)CC2)c2ccccc2n1 ZINC000366621276 1012396377 /nfs/dbraw/zinc/39/63/77/1012396377.db2.gz UUHWTVDWROFLCR-QGZVFWFLSA-N 2 2 323.484 3.992 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(F)cn1 ZINC000092742848 1012455297 /nfs/dbraw/zinc/45/52/97/1012455297.db2.gz GJXOTJCQKHNOGE-HNNXBMFYSA-N 2 2 319.468 3.916 20 0 DHADLP Cc1[nH]c(CNc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)[nH+]c1C ZINC000514873626 1012478866 /nfs/dbraw/zinc/47/88/66/1012478866.db2.gz PTZASNIWSCRJTQ-AWEZNQCLSA-N 2 2 312.461 3.871 20 0 DHADLP Cc1[nH]c(CNc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)[nH+]c1C ZINC000514873626 1012478874 /nfs/dbraw/zinc/47/88/74/1012478874.db2.gz PTZASNIWSCRJTQ-AWEZNQCLSA-N 2 2 312.461 3.871 20 0 DHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000036932131 1012705102 /nfs/dbraw/zinc/70/51/02/1012705102.db2.gz ZATPZWGMCDIMSB-OAHLLOKOSA-N 2 2 301.459 3.853 20 0 DHADLP Fc1cccc2c1SCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037318628 1013000364 /nfs/dbraw/zinc/00/03/64/1013000364.db2.gz HCUGRSDSMSLIPV-INIZCTEOSA-N 2 2 306.450 3.579 20 0 DHADLP Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000623648055 1017147669 /nfs/dbraw/zinc/14/76/69/1017147669.db2.gz YDHLENHJWZNJMC-UHFFFAOYSA-N 2 2 320.440 3.643 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)CCSc1ccc(Cl)cc1 ZINC000178436370 1017176268 /nfs/dbraw/zinc/17/62/68/1017176268.db2.gz MRGACOXPGKGCHG-UHFFFAOYSA-N 2 2 309.866 3.651 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)CCSc1ccc(Cl)cc1 ZINC000178436370 1017176273 /nfs/dbraw/zinc/17/62/73/1017176273.db2.gz MRGACOXPGKGCHG-UHFFFAOYSA-N 2 2 309.866 3.651 20 0 DHADLP CO[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000178458576 1017176376 /nfs/dbraw/zinc/17/63/76/1017176376.db2.gz NIJAVLSPZRYYIJ-JXFKEZNVSA-N 2 2 321.424 3.911 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC000657534112 1017213271 /nfs/dbraw/zinc/21/32/71/1017213271.db2.gz DZRZGRYRGRLQET-HKUYNNGSSA-N 2 2 323.484 3.828 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC000657534112 1017213274 /nfs/dbraw/zinc/21/32/74/1017213274.db2.gz DZRZGRYRGRLQET-HKUYNNGSSA-N 2 2 323.484 3.828 20 0 DHADLP FC(F)(F)c1cccc(C2([NH2+]CCCn3cc[nH+]c3)CCC2)c1 ZINC000179674124 1017281878 /nfs/dbraw/zinc/28/18/78/1017281878.db2.gz AEDVRRQOMBAGMR-UHFFFAOYSA-N 2 2 323.362 3.961 20 0 DHADLP Clc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000075758047 1017363253 /nfs/dbraw/zinc/36/32/53/1017363253.db2.gz CCYMDJPGMVHDNA-UHFFFAOYSA-N 2 2 311.816 3.875 20 0 DHADLP Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C ZINC000075758091 1017363390 /nfs/dbraw/zinc/36/33/90/1017363390.db2.gz NZWZOGDWUDVPNS-UHFFFAOYSA-N 2 2 305.425 3.838 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1F ZINC000125117499 1032700977 /nfs/dbraw/zinc/70/09/77/1032700977.db2.gz JGDICBKNVYLWPA-CQSZACIVSA-N 2 2 309.816 3.880 20 0 DHADLP Cc1ccncc1CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000657589389 1017516386 /nfs/dbraw/zinc/51/63/86/1017516386.db2.gz XWHKEXIMGHNKSH-FQEVSTJZSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccncc1CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000657589389 1017516399 /nfs/dbraw/zinc/51/63/99/1017516399.db2.gz XWHKEXIMGHNKSH-FQEVSTJZSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccc(F)cc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001140592441 1017547200 /nfs/dbraw/zinc/54/72/00/1017547200.db2.gz LXHBKDVLUXXGKI-UHFFFAOYSA-N 2 2 304.453 3.973 20 0 DHADLP Cc1ccc(F)cc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001140592441 1017547226 /nfs/dbraw/zinc/54/72/26/1017547226.db2.gz LXHBKDVLUXXGKI-UHFFFAOYSA-N 2 2 304.453 3.973 20 0 DHADLP Cc1ncsc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119329878 1017587495 /nfs/dbraw/zinc/58/74/95/1017587495.db2.gz IKYUURVMPRPWCO-UHFFFAOYSA-N 2 2 315.486 3.548 20 0 DHADLP Cc1ncsc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119329878 1017587507 /nfs/dbraw/zinc/58/75/07/1017587507.db2.gz IKYUURVMPRPWCO-UHFFFAOYSA-N 2 2 315.486 3.548 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000623957486 1017606216 /nfs/dbraw/zinc/60/62/16/1017606216.db2.gz LBNKLAQGDVCXPC-QLFBSQMISA-N 2 2 307.507 3.755 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000623957486 1017606224 /nfs/dbraw/zinc/60/62/24/1017606224.db2.gz LBNKLAQGDVCXPC-QLFBSQMISA-N 2 2 307.507 3.755 20 0 DHADLP CCC[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000624048027 1017655687 /nfs/dbraw/zinc/65/56/87/1017655687.db2.gz AGNDGVIBSQDVBF-QAPCUYQASA-N 2 2 301.434 3.728 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000120032363 1017682668 /nfs/dbraw/zinc/68/26/68/1017682668.db2.gz JPEKNICYQVTJJI-HNNXBMFYSA-N 2 2 304.459 3.651 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000120032363 1017682682 /nfs/dbraw/zinc/68/26/82/1017682682.db2.gz JPEKNICYQVTJJI-HNNXBMFYSA-N 2 2 304.459 3.651 20 0 DHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CC(CF)(CF)C2)CCC1 ZINC000658029021 1017952759 /nfs/dbraw/zinc/95/27/59/1017952759.db2.gz XBVIJNQPVZAMMD-UHFFFAOYSA-N 2 2 322.443 3.719 20 0 DHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CC(CF)(CF)C2)CCC1 ZINC000658029021 1017952767 /nfs/dbraw/zinc/95/27/67/1017952767.db2.gz XBVIJNQPVZAMMD-UHFFFAOYSA-N 2 2 322.443 3.719 20 0 DHADLP Oc1ccc2c(c1)C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000625728388 1018030017 /nfs/dbraw/zinc/03/00/17/1018030017.db2.gz MUXWNVZIVGLPLJ-UHFFFAOYSA-N 2 2 322.452 3.894 20 0 DHADLP Oc1ccc2c(c1)C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000625728388 1018030031 /nfs/dbraw/zinc/03/00/31/1018030031.db2.gz MUXWNVZIVGLPLJ-UHFFFAOYSA-N 2 2 322.452 3.894 20 0 DHADLP CCC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccnc1 ZINC000184986746 1018100837 /nfs/dbraw/zinc/10/08/37/1018100837.db2.gz SLPXMHBWGSZPCP-HXUWFJFHSA-N 2 2 320.440 3.957 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000368581919 1018101952 /nfs/dbraw/zinc/10/19/52/1018101952.db2.gz ILWWDRFPTXPNAX-DOTOQJQBSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000368581919 1018101960 /nfs/dbraw/zinc/10/19/60/1018101960.db2.gz ILWWDRFPTXPNAX-DOTOQJQBSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000674698963 1018111165 /nfs/dbraw/zinc/11/11/65/1018111165.db2.gz HYOPQWCXMXBJNY-ZDUSSCGKSA-N 2 2 319.811 3.757 20 0 DHADLP COc1ccnc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000925183880 1018166306 /nfs/dbraw/zinc/16/63/06/1018166306.db2.gz KTGFUHDXHBFRHB-GJZGRUSLSA-N 2 2 322.412 3.688 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155145385 1018250370 /nfs/dbraw/zinc/25/03/70/1018250370.db2.gz UBJYOBBMHZFUNT-RHSMWYFYSA-N 2 2 313.445 3.869 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000446845669 1018272429 /nfs/dbraw/zinc/27/24/29/1018272429.db2.gz PNCYRKKOSLWBGX-UHFFFAOYSA-N 2 2 306.416 3.819 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000446845669 1018272439 /nfs/dbraw/zinc/27/24/39/1018272439.db2.gz PNCYRKKOSLWBGX-UHFFFAOYSA-N 2 2 306.416 3.819 20 0 DHADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000155740983 1018337922 /nfs/dbraw/zinc/33/79/22/1018337922.db2.gz SUKNRLORVRVCFG-AWEZNQCLSA-N 2 2 309.866 3.697 20 0 DHADLP CC[C@@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)c1ccc2c(c1)CCO2 ZINC000764871817 1018411859 /nfs/dbraw/zinc/41/18/59/1018411859.db2.gz ZBYMVQBDSUNLQI-ZWKOTPCHSA-N 2 2 302.462 3.537 20 0 DHADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000650719376 1018565737 /nfs/dbraw/zinc/56/57/37/1018565737.db2.gz NXUOKIAUEYJBMN-SFHVURJKSA-N 2 2 318.411 3.762 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000115624250 1018568480 /nfs/dbraw/zinc/56/84/80/1018568480.db2.gz DVLWETWYKDJANK-CXAGYDPISA-N 2 2 316.420 3.894 20 0 DHADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833743 1018605400 /nfs/dbraw/zinc/60/54/00/1018605400.db2.gz OKVWKMJEZQUWII-MJGOQNOKSA-N 2 2 302.462 3.610 20 0 DHADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833743 1018605408 /nfs/dbraw/zinc/60/54/08/1018605408.db2.gz OKVWKMJEZQUWII-MJGOQNOKSA-N 2 2 302.462 3.610 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc12 ZINC000675834504 1018607994 /nfs/dbraw/zinc/60/79/94/1018607994.db2.gz VBIWRXWXYAHGIB-DOTOQJQBSA-N 2 2 324.468 3.983 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc12 ZINC000675834504 1018608000 /nfs/dbraw/zinc/60/80/00/1018608000.db2.gz VBIWRXWXYAHGIB-DOTOQJQBSA-N 2 2 324.468 3.983 20 0 DHADLP Cc1cccc2c1CC[C@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)C2 ZINC001171558028 1032778934 /nfs/dbraw/zinc/77/89/34/1032778934.db2.gz ZUXCUVJXOUMLMC-HKUYNNGSSA-N 2 2 300.490 3.562 20 0 DHADLP Cc1nc2c(s1)[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)CCC2 ZINC000765251356 1018730256 /nfs/dbraw/zinc/73/02/56/1018730256.db2.gz OXSOFVUMXIYLAV-LSDHHAIUSA-N 2 2 318.490 3.730 20 0 DHADLP CCc1nc(C)c([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000765254089 1018737465 /nfs/dbraw/zinc/73/74/65/1018737465.db2.gz WNNBBXAIDVOOBR-JSGCOSHPSA-N 2 2 320.506 3.976 20 0 DHADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000314658923 1018757443 /nfs/dbraw/zinc/75/74/43/1018757443.db2.gz FAYLJLPGLMTODK-GOEBONIOSA-N 2 2 312.379 3.669 20 0 DHADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000314658923 1018757458 /nfs/dbraw/zinc/75/74/58/1018757458.db2.gz FAYLJLPGLMTODK-GOEBONIOSA-N 2 2 312.379 3.669 20 0 DHADLP CC(C)[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1F ZINC000584023307 1018867323 /nfs/dbraw/zinc/86/73/23/1018867323.db2.gz GEAGFEAMUUFNAT-SJCJKPOMSA-N 2 2 305.372 3.532 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@H]1[NH3+] ZINC000316780385 1018868717 /nfs/dbraw/zinc/86/87/17/1018868717.db2.gz GGGOUAWFAXPCRP-IUODEOHRSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@H]1[NH3+] ZINC000316780385 1018868738 /nfs/dbraw/zinc/86/87/38/1018868738.db2.gz GGGOUAWFAXPCRP-IUODEOHRSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000151543380 1018900426 /nfs/dbraw/zinc/90/04/26/1018900426.db2.gz OCEVEMLAOGGFRG-UEKVPHQBSA-N 2 2 301.261 3.812 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000151543380 1018900434 /nfs/dbraw/zinc/90/04/34/1018900434.db2.gz OCEVEMLAOGGFRG-UEKVPHQBSA-N 2 2 301.261 3.812 20 0 DHADLP CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccccn1 ZINC000158728805 1018906509 /nfs/dbraw/zinc/90/65/09/1018906509.db2.gz CUESHWIJZNUPNC-QGZVFWFLSA-N 2 2 321.428 3.602 20 0 DHADLP C[NH+]1C(C)(C)CC([NH2+][C@@H](c2ncccc2F)C2CC2)CC1(C)C ZINC001171630632 1032795062 /nfs/dbraw/zinc/79/50/62/1032795062.db2.gz QZPCJVYZYSZISX-MRXNPFEDSA-N 2 2 319.468 3.913 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000450710680 1018932953 /nfs/dbraw/zinc/93/29/53/1018932953.db2.gz NSNNLAXZFFNUCM-DZGCQCFKSA-N 2 2 305.372 3.958 20 0 DHADLP c1cn(-c2csc(C[NH2+]CC[C@H]3CCC4(CCC4)O3)c2)c[nH+]1 ZINC000922967966 1018954854 /nfs/dbraw/zinc/95/48/54/1018954854.db2.gz QQQZORNWWCQJJR-OAHLLOKOSA-N 2 2 317.458 3.515 20 0 DHADLP Clc1cccc2c1C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001168684039 1018963970 /nfs/dbraw/zinc/96/39/70/1018963970.db2.gz DBMIGMGPIOTUJR-INIZCTEOSA-N 2 2 323.827 3.783 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](Cc4cccnc4)CC[C@@H]32)cc1 ZINC000159053094 1018989285 /nfs/dbraw/zinc/98/92/85/1018989285.db2.gz LVOHIZFOKBONNH-RTWAWAEBSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](Cc4cccnc4)CC[C@@H]32)cc1 ZINC000159053094 1018989295 /nfs/dbraw/zinc/98/92/95/1018989295.db2.gz LVOHIZFOKBONNH-RTWAWAEBSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](Cc4cccnc4)CC[C@@H]32)cc1 ZINC000159053094 1018989304 /nfs/dbraw/zinc/98/93/04/1018989304.db2.gz LVOHIZFOKBONNH-RTWAWAEBSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](Cc4cccnc4)CC[C@@H]32)cc1 ZINC000159053094 1018989312 /nfs/dbraw/zinc/98/93/12/1018989312.db2.gz LVOHIZFOKBONNH-RTWAWAEBSA-N 2 2 321.468 3.568 20 0 DHADLP C[C@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCOc2ccccc21 ZINC000923027125 1018990683 /nfs/dbraw/zinc/99/06/83/1018990683.db2.gz ZDEYACIOXDDUMC-FQEVSTJZSA-N 2 2 319.408 3.660 20 0 DHADLP Cc1cc(NCc2ccc(C[NH+]3CCCC3)cc2)nc(C(C)C)[nH+]1 ZINC000347678727 1019091693 /nfs/dbraw/zinc/09/16/93/1019091693.db2.gz WCGAFNVQJCDPHH-UHFFFAOYSA-N 2 2 324.472 4.116 20 0 DHADLP CC[C@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000387450659 1019116121 /nfs/dbraw/zinc/11/61/21/1019116121.db2.gz QNZNFAFKOFOZON-MOPGFXCFSA-N 2 2 316.489 3.588 20 0 DHADLP CC[C@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000387450659 1019116128 /nfs/dbraw/zinc/11/61/28/1019116128.db2.gz QNZNFAFKOFOZON-MOPGFXCFSA-N 2 2 316.489 3.588 20 0 DHADLP Brc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959888 1019134601 /nfs/dbraw/zinc/13/46/01/1019134601.db2.gz ZQFMVQXYLDOTSL-ZDUSSCGKSA-N 2 2 320.234 3.552 20 0 DHADLP Brc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959888 1019134606 /nfs/dbraw/zinc/13/46/06/1019134606.db2.gz ZQFMVQXYLDOTSL-ZDUSSCGKSA-N 2 2 320.234 3.552 20 0 DHADLP c1sc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)nc1-c1ccccc1 ZINC000666998151 1032820181 /nfs/dbraw/zinc/82/01/81/1032820181.db2.gz FHZHXTMERWFUBP-HNNXBMFYSA-N 2 2 313.470 3.574 20 0 DHADLP Cc1[nH+]cn([C@H](C)CSc2ccc(Cl)cc2)c1CC[NH3+] ZINC001172876222 1033449883 /nfs/dbraw/zinc/44/98/83/1033449883.db2.gz XIKLELYTWCAUJW-LLVKDONJSA-N 2 2 309.866 3.699 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ncccc2F)cc1 ZINC000090720844 1019414542 /nfs/dbraw/zinc/41/45/42/1019414542.db2.gz PUVJOSFNCHHMGR-CYBMUJFWSA-N 2 2 310.376 3.566 20 0 DHADLP CCCC[NH+]1CCC([N@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641145 1032834825 /nfs/dbraw/zinc/83/48/25/1032834825.db2.gz NAYWOAYPCGYPJM-UHFFFAOYSA-N 3 2 323.569 3.834 20 0 DHADLP CCCC[NH+]1CCC([N@@H+](C)C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641145 1032834827 /nfs/dbraw/zinc/83/48/27/1032834827.db2.gz NAYWOAYPCGYPJM-UHFFFAOYSA-N 3 2 323.569 3.834 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657880972 1019736206 /nfs/dbraw/zinc/73/62/06/1019736206.db2.gz LQNINEXZHOAQOV-WBVHZDCISA-N 2 2 306.519 3.991 20 0 DHADLP Cc1cc(C)cc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)c1 ZINC000065890798 1019933399 /nfs/dbraw/zinc/93/33/99/1019933399.db2.gz CHXMHOLCLLKBKW-UHFFFAOYSA-N 2 2 318.530 3.755 20 0 DHADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)c1 ZINC000922334505 1020016198 /nfs/dbraw/zinc/01/61/98/1020016198.db2.gz BSAQFZKOYIGIOI-HXUWFJFHSA-N 2 2 321.424 3.731 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093604533 1020065303 /nfs/dbraw/zinc/06/53/03/1020065303.db2.gz HCCNFJFRZDFXQR-OAHLLOKOSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093604533 1020065315 /nfs/dbraw/zinc/06/53/15/1020065315.db2.gz HCCNFJFRZDFXQR-OAHLLOKOSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000658095590 1020140584 /nfs/dbraw/zinc/14/05/84/1020140584.db2.gz JFZWNEPJHDHYMH-KURKYZTESA-N 2 2 315.505 3.879 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000658095590 1020140590 /nfs/dbraw/zinc/14/05/90/1020140590.db2.gz JFZWNEPJHDHYMH-KURKYZTESA-N 2 2 315.505 3.879 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@H](c3ccccn3)C3CC3)c2)c[nH+]1 ZINC000922586105 1020147597 /nfs/dbraw/zinc/14/75/97/1020147597.db2.gz VTUPTIHJGRJKIU-KRWDZBQOSA-N 2 2 310.426 3.570 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]C/C=C\c1cccc(F)c1)c1cccnc1 ZINC000922631193 1020177235 /nfs/dbraw/zinc/17/72/35/1020177235.db2.gz UFBWAKKJQVODNF-OCTSTCLRSA-N 2 2 313.420 3.517 20 0 DHADLP CCc1ccc([C@H]2CCCCC[N@@H+]2CCc2c[nH+]cn2C)o1 ZINC000347743352 1020285262 /nfs/dbraw/zinc/28/52/62/1020285262.db2.gz FSYSZDNQHKWRQP-QGZVFWFLSA-N 2 2 301.434 3.735 20 0 DHADLP CCc1ccc([C@H]2CCCCC[N@H+]2CCc2c[nH+]cn2C)o1 ZINC000347743352 1020285268 /nfs/dbraw/zinc/28/52/68/1020285268.db2.gz FSYSZDNQHKWRQP-QGZVFWFLSA-N 2 2 301.434 3.735 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000347751895 1020302820 /nfs/dbraw/zinc/30/28/20/1020302820.db2.gz QLTKQCJBTAISAY-YAINUAMHSA-N 2 2 309.457 3.921 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000347751895 1020302831 /nfs/dbraw/zinc/30/28/31/1020302831.db2.gz QLTKQCJBTAISAY-YAINUAMHSA-N 2 2 309.457 3.921 20 0 DHADLP CC[NH+](CC)C[C@@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000090099927 1020326298 /nfs/dbraw/zinc/32/62/98/1020326298.db2.gz WUCAMXLVKLHFBX-INIZCTEOSA-N 2 2 318.509 3.892 20 0 DHADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000766006170 1020337976 /nfs/dbraw/zinc/33/79/76/1020337976.db2.gz NMZVAEWORMTFOT-NUJGCVRESA-N 2 2 303.494 3.564 20 0 DHADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000766006170 1020337985 /nfs/dbraw/zinc/33/79/85/1020337985.db2.gz NMZVAEWORMTFOT-NUJGCVRESA-N 2 2 303.494 3.564 20 0 DHADLP CCC[C@H](C)CCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000858432379 1032894643 /nfs/dbraw/zinc/89/46/43/1032894643.db2.gz QWXPCRLMKYOZSQ-JENIJYKNSA-N 2 2 310.526 3.824 20 0 DHADLP Fc1cc([C@@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc(F)c1F ZINC000892441931 1020357999 /nfs/dbraw/zinc/35/79/99/1020357999.db2.gz URLQEOLEFYTIPO-BBRMVZONSA-N 2 2 323.362 3.616 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(OC(F)(F)F)c1 ZINC000151158855 1020474925 /nfs/dbraw/zinc/47/49/25/1020474925.db2.gz CYRKPGFNQPJUIQ-GFCCVEGCSA-N 2 2 313.323 3.523 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](c2cccnc2)c2cc(C)cc(C)c2)CC1 ZINC000765868030 1020531649 /nfs/dbraw/zinc/53/16/49/1020531649.db2.gz NZHPLGLPYKKUJT-OAQYLSRUSA-N 2 2 323.484 3.862 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000347843160 1020570162 /nfs/dbraw/zinc/57/01/62/1020570162.db2.gz JEABLHRBLZEYNG-IBGZPJMESA-N 2 2 315.505 3.588 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000347843160 1020570173 /nfs/dbraw/zinc/57/01/73/1020570173.db2.gz JEABLHRBLZEYNG-IBGZPJMESA-N 2 2 315.505 3.588 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)C1CCC(C(F)(F)F)CC1 ZINC000353933967 1020576743 /nfs/dbraw/zinc/57/67/43/1020576743.db2.gz XJIKAHYONPBKSK-MRFVTOPCSA-N 2 2 303.372 3.618 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000177935052 1020605928 /nfs/dbraw/zinc/60/59/28/1020605928.db2.gz RSWSACWSVJDVBM-HXUWFJFHSA-N 2 2 321.399 3.848 20 0 DHADLP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]CC[NH+]1CCCC1 ZINC000924562399 1020759971 /nfs/dbraw/zinc/75/99/71/1020759971.db2.gz UWVDTTTULWTUSO-UHFFFAOYSA-N 2 2 320.321 3.725 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]C[C@H]2CCc3ccccc32)c[nH+]1 ZINC000892527218 1020833278 /nfs/dbraw/zinc/83/32/78/1020833278.db2.gz MWLZREUYESHBJY-LJQANCHMSA-N 2 2 317.436 3.751 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC000716280044 1020843842 /nfs/dbraw/zinc/84/38/42/1020843842.db2.gz MSBPXCCFNQLXOY-APWZRJJASA-N 2 2 300.490 3.923 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924569577 1020869368 /nfs/dbraw/zinc/86/93/68/1020869368.db2.gz IZEQDFLSXFTWIT-HXUWFJFHSA-N 2 2 309.457 3.553 20 0 DHADLP CC1(C)C[C@H]([NH2+]Cc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC001171966960 1032937502 /nfs/dbraw/zinc/93/75/02/1032937502.db2.gz WWJICQLZWRCERG-GOSISDBHSA-N 2 2 309.457 3.614 20 0 DHADLP CC1(C)C[C@H]([NH2+]Cc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC001171966960 1032937512 /nfs/dbraw/zinc/93/75/12/1032937512.db2.gz WWJICQLZWRCERG-GOSISDBHSA-N 2 2 309.457 3.614 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C)CCC2 ZINC000414118301 1020910038 /nfs/dbraw/zinc/91/00/38/1020910038.db2.gz UVQIZKCBBPORFA-JYJNAYRXSA-N 2 2 319.493 3.641 20 0 DHADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000628371420 1020947687 /nfs/dbraw/zinc/94/76/87/1020947687.db2.gz DYFSBDZPXRTHBL-YJBOKZPZSA-N 2 2 301.478 3.978 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766275704 1021041147 /nfs/dbraw/zinc/04/11/47/1021041147.db2.gz YOWNHAZNVFPLPL-KFWWJZLASA-N 2 2 317.502 3.862 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766275704 1021041149 /nfs/dbraw/zinc/04/11/49/1021041149.db2.gz YOWNHAZNVFPLPL-KFWWJZLASA-N 2 2 317.502 3.862 20 0 DHADLP C[C@H](C[NH2+][C@@H](c1ccccc1)C1CCOCC1)[NH+]1CCCCC1 ZINC000782757199 1021045411 /nfs/dbraw/zinc/04/54/11/1021045411.db2.gz IPKNNYUXDBDSLY-XLIONFOSSA-N 2 2 316.489 3.618 20 0 DHADLP c1cc2c(s1)CCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000102196315 1021090000 /nfs/dbraw/zinc/09/00/00/1021090000.db2.gz BYVVMUCEVTZTGZ-INIZCTEOSA-N 2 2 313.470 3.779 20 0 DHADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000134285442 1021102100 /nfs/dbraw/zinc/10/21/00/1021102100.db2.gz QVUWJJBBELMHRI-CQSZACIVSA-N 2 2 310.228 3.857 20 0 DHADLP COc1cccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000742392876 1021111286 /nfs/dbraw/zinc/11/12/86/1021111286.db2.gz UOBWMGIRDDVDKD-HNNXBMFYSA-N 2 2 307.397 3.732 20 0 DHADLP COc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000742392532 1021111339 /nfs/dbraw/zinc/11/13/39/1021111339.db2.gz QBASPZKVARXKIS-OAHLLOKOSA-N 2 2 307.397 3.732 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccccc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000742718715 1021151598 /nfs/dbraw/zinc/15/15/98/1021151598.db2.gz XGYOXWAQVIGRTJ-KRWDZBQOSA-N 2 2 305.425 3.976 20 0 DHADLP CC(C)(C)OC1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926785511 1021201574 /nfs/dbraw/zinc/20/15/74/1021201574.db2.gz MCSMNJHKLOGGAX-HIEASXQVSA-N 2 2 308.510 3.719 20 0 DHADLP CC(C)(C)OC1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926785511 1021201585 /nfs/dbraw/zinc/20/15/85/1021201585.db2.gz MCSMNJHKLOGGAX-HIEASXQVSA-N 2 2 308.510 3.719 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H](C)O1 ZINC001171975743 1032961569 /nfs/dbraw/zinc/96/15/69/1032961569.db2.gz FDWFCWZBFOIQNH-ZHALLVOQSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H](C)O1 ZINC001171975743 1032961583 /nfs/dbraw/zinc/96/15/83/1032961583.db2.gz FDWFCWZBFOIQNH-ZHALLVOQSA-N 2 2 316.489 3.539 20 0 DHADLP CCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1 ZINC000850058898 1021405797 /nfs/dbraw/zinc/40/57/97/1021405797.db2.gz FXEKYHVZCNJYIC-SFHVURJKSA-N 2 2 315.461 3.795 20 0 DHADLP CCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1 ZINC000850058896 1021405880 /nfs/dbraw/zinc/40/58/80/1021405880.db2.gz FXEKYHVZCNJYIC-GOSISDBHSA-N 2 2 315.461 3.795 20 0 DHADLP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000892749715 1021595404 /nfs/dbraw/zinc/59/54/04/1021595404.db2.gz PNCIGGPVDLJSHJ-UHFFFAOYSA-N 2 2 323.444 3.556 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000261953476 1021857993 /nfs/dbraw/zinc/85/79/93/1021857993.db2.gz NPBAMFMONOISTK-GXTWGEPZSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000261953476 1021858011 /nfs/dbraw/zinc/85/80/11/1021858011.db2.gz NPBAMFMONOISTK-GXTWGEPZSA-N 2 2 319.836 3.554 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1 ZINC000556871101 1021914042 /nfs/dbraw/zinc/91/40/42/1021914042.db2.gz JJUYBEQVKWYBTL-HUUCEWRRSA-N 2 2 312.461 3.550 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nc1C ZINC000414166780 1022173816 /nfs/dbraw/zinc/17/38/16/1022173816.db2.gz ODJAGOWNKJEIPG-UYAOXDASSA-N 2 2 309.457 3.624 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nc1C ZINC000414166780 1022173822 /nfs/dbraw/zinc/17/38/22/1022173822.db2.gz ODJAGOWNKJEIPG-UYAOXDASSA-N 2 2 309.457 3.624 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccnc1Cl ZINC000853239687 1022241328 /nfs/dbraw/zinc/24/13/28/1022241328.db2.gz JFHSUPSSFCUWFG-UKRRQHHQSA-N 2 2 307.869 3.508 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccnc1Cl ZINC000853239687 1022241334 /nfs/dbraw/zinc/24/13/34/1022241334.db2.gz JFHSUPSSFCUWFG-UKRRQHHQSA-N 2 2 307.869 3.508 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1Cl)C2 ZINC001169078376 1022251045 /nfs/dbraw/zinc/25/10/45/1022251045.db2.gz DQEKCGKNCYCHNB-CNDDSTCGSA-N 2 2 317.235 3.847 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1Cl)C2 ZINC001169078376 1022251051 /nfs/dbraw/zinc/25/10/51/1022251051.db2.gz DQEKCGKNCYCHNB-CNDDSTCGSA-N 2 2 317.235 3.847 20 0 DHADLP CN(C)c1cc(Cl)[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169139313 1022268353 /nfs/dbraw/zinc/26/83/53/1022268353.db2.gz ZDKVCSBLADGPRH-PXAZEXFGSA-N 2 2 324.900 3.757 20 0 DHADLP CC[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000154001519 1022268937 /nfs/dbraw/zinc/26/89/37/1022268937.db2.gz ZEKPOGHQCOLBLO-VQIMIIECSA-N 2 2 316.489 3.665 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](c2ccncc2)c2ccccc2C)CC1 ZINC001169219717 1022309090 /nfs/dbraw/zinc/30/90/90/1022309090.db2.gz IGZKHHHEOWPUEB-HXUWFJFHSA-N 2 2 309.457 3.553 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000154628102 1022314924 /nfs/dbraw/zinc/31/49/24/1022314924.db2.gz XGXYUSJGBBZPFA-RDJZCZTQSA-N 2 2 320.477 3.619 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000154628102 1022314935 /nfs/dbraw/zinc/31/49/35/1022314935.db2.gz XGXYUSJGBBZPFA-RDJZCZTQSA-N 2 2 320.477 3.619 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000078704678 1022334081 /nfs/dbraw/zinc/33/40/81/1022334081.db2.gz LIHVPIDOVIAGQM-SJLPKXTDSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000078704678 1022334099 /nfs/dbraw/zinc/33/40/99/1022334099.db2.gz LIHVPIDOVIAGQM-SJLPKXTDSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000078704678 1022334119 /nfs/dbraw/zinc/33/41/19/1022334119.db2.gz LIHVPIDOVIAGQM-SJLPKXTDSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000078704678 1022334130 /nfs/dbraw/zinc/33/41/30/1022334130.db2.gz LIHVPIDOVIAGQM-SJLPKXTDSA-N 2 2 304.453 3.912 20 0 DHADLP Cc1nc(NC2CC[NH+](Cc3cccs3)CC2)c(C)c(C)[nH+]1 ZINC000363859556 1022344407 /nfs/dbraw/zinc/34/44/07/1022344407.db2.gz XZRDBRSAXBVYQZ-UHFFFAOYSA-N 2 2 316.474 3.540 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000268796696 1022379295 /nfs/dbraw/zinc/37/92/95/1022379295.db2.gz GFCLSHCZBFJRDH-NEPJUHHUSA-N 2 2 313.323 3.521 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000155978208 1022430814 /nfs/dbraw/zinc/43/08/14/1022430814.db2.gz IILMNRNSFIEUBA-PXNSSMCTSA-N 2 2 309.457 3.787 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000155978208 1022430819 /nfs/dbraw/zinc/43/08/19/1022430819.db2.gz IILMNRNSFIEUBA-PXNSSMCTSA-N 2 2 309.457 3.787 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1nccs1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272348817 1022499377 /nfs/dbraw/zinc/49/93/77/1022499377.db2.gz QFYBFZFRZCOOJZ-HLLBOEOZSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1nccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272348817 1022499400 /nfs/dbraw/zinc/49/94/00/1022499400.db2.gz QFYBFZFRZCOOJZ-HLLBOEOZSA-N 2 2 315.486 3.704 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc2[nH+]c[nH]c2cc1F ZINC001169689668 1022501868 /nfs/dbraw/zinc/50/18/68/1022501868.db2.gz HPDABZYMKSCVLG-CQSZACIVSA-N 2 2 310.376 3.942 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1F ZINC000318865133 1022563731 /nfs/dbraw/zinc/56/37/31/1022563731.db2.gz LNLWJRREMOIMJZ-DOMZBBRYSA-N 2 2 307.388 3.927 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ncc(C(C)(C)C)s1)CCC2 ZINC000364001531 1022564664 /nfs/dbraw/zinc/56/46/64/1022564664.db2.gz LQJCDVDHGOYCOQ-ZDUSSCGKSA-N 2 2 318.490 3.613 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1c1cccs1)CCC2 ZINC000367438714 1022639406 /nfs/dbraw/zinc/63/94/06/1022639406.db2.gz OTJYFMQJECTDOJ-QXSJWSMHSA-N 2 2 315.486 3.912 20 0 DHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(OC(F)F)c1 ZINC000315519187 1022646235 /nfs/dbraw/zinc/64/62/35/1022646235.db2.gz DVYAWJKQYYJAQR-CYBMUJFWSA-N 2 2 309.360 3.616 20 0 DHADLP ClC1(Cl)C[C@@H]1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000856807663 1022874790 /nfs/dbraw/zinc/87/47/90/1022874790.db2.gz PMSXCPBUNOKXRM-ZDUSSCGKSA-N 2 2 310.228 3.546 20 0 DHADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000925625595 1022879973 /nfs/dbraw/zinc/87/99/73/1022879973.db2.gz GTUFSBUJDQSAOO-XJKSGUPXSA-N 2 2 317.502 3.661 20 0 DHADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000069160358 1022923938 /nfs/dbraw/zinc/92/39/38/1022923938.db2.gz IYHMMFPRYCNOKA-GFCCVEGCSA-N 2 2 318.433 3.557 20 0 DHADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000069160358 1022923951 /nfs/dbraw/zinc/92/39/51/1022923951.db2.gz IYHMMFPRYCNOKA-GFCCVEGCSA-N 2 2 318.433 3.557 20 0 DHADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000164871404 1022965471 /nfs/dbraw/zinc/96/54/71/1022965471.db2.gz PLJDXGSQYVNGBI-LJQANCHMSA-N 2 2 315.505 3.510 20 0 DHADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000164871404 1022965482 /nfs/dbraw/zinc/96/54/82/1022965482.db2.gz PLJDXGSQYVNGBI-LJQANCHMSA-N 2 2 315.505 3.510 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000768518116 1022987835 /nfs/dbraw/zinc/98/78/35/1022987835.db2.gz RPSSHWPRYWTQGK-HYVNUMGLSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000768518116 1022987842 /nfs/dbraw/zinc/98/78/42/1022987842.db2.gz RPSSHWPRYWTQGK-HYVNUMGLSA-N 2 2 308.416 3.674 20 0 DHADLP Cc1ccc([C@@H](C[NH2+]C2CC(C(F)F)C2)[NH+]2CCCC2)cc1 ZINC000768685540 1023011629 /nfs/dbraw/zinc/01/16/29/1023011629.db2.gz DVFLZMVSJNHFBL-OFLPRAFFSA-N 2 2 308.416 3.765 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)nc1 ZINC000181394668 1023083021 /nfs/dbraw/zinc/08/30/21/1023083021.db2.gz YYDHIFGOCRNCOG-ZDUSSCGKSA-N 2 2 312.804 3.772 20 0 DHADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000387071736 1023119086 /nfs/dbraw/zinc/11/90/86/1023119086.db2.gz UNDBTSKTBMTLNO-ZBFHGGJFSA-N 2 2 312.379 3.669 20 0 DHADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000387071736 1023119089 /nfs/dbraw/zinc/11/90/89/1023119089.db2.gz UNDBTSKTBMTLNO-ZBFHGGJFSA-N 2 2 312.379 3.669 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2N2CCCCC2)CC[N@@H+]1C ZINC000769484210 1023153000 /nfs/dbraw/zinc/15/30/00/1023153000.db2.gz GIWHXAZKEKGQSA-PKOBYXMFSA-N 2 2 315.505 3.591 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2N2CCCCC2)CC[N@H+]1C ZINC000769484210 1023153005 /nfs/dbraw/zinc/15/30/05/1023153005.db2.gz GIWHXAZKEKGQSA-PKOBYXMFSA-N 2 2 315.505 3.591 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2N2CCCCC2)CC[NH+]1C ZINC000769484210 1023153009 /nfs/dbraw/zinc/15/30/09/1023153009.db2.gz GIWHXAZKEKGQSA-PKOBYXMFSA-N 2 2 315.505 3.591 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2N2CCCCC2)CC[NH+]1C ZINC000769484210 1023153014 /nfs/dbraw/zinc/15/30/14/1023153014.db2.gz GIWHXAZKEKGQSA-PKOBYXMFSA-N 2 2 315.505 3.591 20 0 DHADLP c1ccc2c(c1)cncc2C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000770374383 1023299721 /nfs/dbraw/zinc/29/97/21/1023299721.db2.gz NCJBDGSIBREDAZ-DYESRHJHSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(c1)cncc2C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000770374383 1023299729 /nfs/dbraw/zinc/29/97/29/1023299729.db2.gz NCJBDGSIBREDAZ-DYESRHJHSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(c1)cncc2C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000770374383 1023299734 /nfs/dbraw/zinc/29/97/34/1023299734.db2.gz NCJBDGSIBREDAZ-DYESRHJHSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(c1)cncc2C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000770374383 1023299740 /nfs/dbraw/zinc/29/97/40/1023299740.db2.gz NCJBDGSIBREDAZ-DYESRHJHSA-N 2 2 321.468 3.684 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652134570 1023344704 /nfs/dbraw/zinc/34/47/04/1023344704.db2.gz YATLBAGLCLIBJO-OALUTQOASA-N 2 2 301.478 3.777 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000652134570 1023344706 /nfs/dbraw/zinc/34/47/06/1023344706.db2.gz YATLBAGLCLIBJO-OALUTQOASA-N 2 2 301.478 3.777 20 0 DHADLP Clc1nccc2oc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cc21 ZINC000876741034 1033132554 /nfs/dbraw/zinc/13/25/54/1033132554.db2.gz PAPNOWAORLRGMD-UHFFFAOYSA-N 2 2 316.792 3.584 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2ccccc2)cn1 ZINC000651667027 1023440074 /nfs/dbraw/zinc/44/00/74/1023440074.db2.gz VVEHTXWPXOGLPL-INIZCTEOSA-N 2 2 306.413 3.686 20 0 DHADLP C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172369818 1033149045 /nfs/dbraw/zinc/14/90/45/1033149045.db2.gz NMTZSGONKBGENS-DUQPFJRNSA-N 2 2 301.478 3.983 20 0 DHADLP C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172369817 1033149387 /nfs/dbraw/zinc/14/93/87/1033149387.db2.gz NMTZSGONKBGENS-CWQOZTLDSA-N 2 2 301.478 3.983 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690924 1023693163 /nfs/dbraw/zinc/69/31/63/1023693163.db2.gz XQHGTYLLMBLVRI-MRXNPFEDSA-N 2 2 301.409 3.752 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000661690924 1023693168 /nfs/dbraw/zinc/69/31/68/1023693168.db2.gz XQHGTYLLMBLVRI-MRXNPFEDSA-N 2 2 301.409 3.752 20 0 DHADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000786802117 1023729680 /nfs/dbraw/zinc/72/96/80/1023729680.db2.gz WPNSCNQLYRABCR-OXJNMPFZSA-N 2 2 321.424 3.738 20 0 DHADLP CCOCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001172413583 1033159628 /nfs/dbraw/zinc/15/96/28/1033159628.db2.gz BLDFZPLLGADGEN-MRXNPFEDSA-N 2 2 322.468 3.503 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000787291571 1023780353 /nfs/dbraw/zinc/78/03/53/1023780353.db2.gz AZYSKWZDEBPFDV-BEFAXECRSA-N 2 2 319.408 3.527 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cs2)o1 ZINC000652355966 1023813920 /nfs/dbraw/zinc/81/39/20/1023813920.db2.gz ODSDMGXJMLQECX-IUODEOHRSA-N 2 2 319.474 3.661 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cs2)o1 ZINC000652355966 1023813923 /nfs/dbraw/zinc/81/39/23/1023813923.db2.gz ODSDMGXJMLQECX-IUODEOHRSA-N 2 2 319.474 3.661 20 0 DHADLP C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000787753265 1023814070 /nfs/dbraw/zinc/81/40/70/1023814070.db2.gz FJSQYNQAGWBHRQ-QRWLVFNGSA-N 2 2 319.408 3.794 20 0 DHADLP CC(C)CCC[C@@H](C)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001170081423 1023848404 /nfs/dbraw/zinc/84/84/04/1023848404.db2.gz OIQPNHUIXDADKX-QGZVFWFLSA-N 2 2 318.509 3.509 20 0 DHADLP CC(C)CCC[C@@H](C)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001170081423 1023848408 /nfs/dbraw/zinc/84/84/08/1023848408.db2.gz OIQPNHUIXDADKX-QGZVFWFLSA-N 2 2 318.509 3.509 20 0 DHADLP Cc1[nH+]c(N)ccc1CNc1cc[nH+]c(C2(C(F)(F)F)CC2)c1 ZINC001167786336 1023862947 /nfs/dbraw/zinc/86/29/47/1023862947.db2.gz CGICIXLCGXATAD-UHFFFAOYSA-N 2 2 322.334 3.573 20 0 DHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000538752317 1033169169 /nfs/dbraw/zinc/16/91/69/1033169169.db2.gz YOQQANCVNDYTRI-OAHLLOKOSA-N 2 2 321.534 3.604 20 0 DHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000538752317 1033169179 /nfs/dbraw/zinc/16/91/79/1033169179.db2.gz YOQQANCVNDYTRI-OAHLLOKOSA-N 2 2 321.534 3.604 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000538752317 1033169196 /nfs/dbraw/zinc/16/91/96/1033169196.db2.gz YOQQANCVNDYTRI-OAHLLOKOSA-N 2 2 321.534 3.604 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000538752317 1033169231 /nfs/dbraw/zinc/16/92/31/1033169231.db2.gz YOQQANCVNDYTRI-OAHLLOKOSA-N 2 2 321.534 3.604 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccccc1 ZINC000788500216 1023895246 /nfs/dbraw/zinc/89/52/46/1023895246.db2.gz ZJMLTWUCIOWVJS-QAPCUYQASA-N 2 2 313.445 3.521 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+][C@H]1COCc2cccc(Cl)c21)C(C)(C)C ZINC000788602159 1023911292 /nfs/dbraw/zinc/91/12/92/1023911292.db2.gz AFPZHOQRBCINDA-JKSUJKDBSA-N 2 2 324.896 3.867 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000194089612 1023984079 /nfs/dbraw/zinc/98/40/79/1023984079.db2.gz IERBLTPYDXLTLR-KRWDZBQOSA-N 2 2 324.896 3.880 20 0 DHADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC001170111501 1024120637 /nfs/dbraw/zinc/12/06/37/1024120637.db2.gz CTRHXSWKYKGDSD-KSSFIOAISA-N 2 2 304.453 3.877 20 0 DHADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC001170114012 1024140905 /nfs/dbraw/zinc/14/09/05/1024140905.db2.gz ZHUZFZQSLXQJKM-IFXJQAMLSA-N 2 2 304.453 3.877 20 0 DHADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268785911 1024160016 /nfs/dbraw/zinc/16/00/16/1024160016.db2.gz VQFROHHOKUHJIU-IERDGZPVSA-N 2 2 317.436 3.955 20 0 DHADLP CC(C)COCC[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172473088 1033190581 /nfs/dbraw/zinc/19/05/81/1033190581.db2.gz SIMTUIHKNSKUTI-HNNXBMFYSA-N 2 2 301.434 3.633 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531728352 1024285174 /nfs/dbraw/zinc/28/51/74/1024285174.db2.gz SRTCQTPIIAYHLK-STQMWFEESA-N 2 2 300.899 3.654 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531728352 1024285185 /nfs/dbraw/zinc/28/51/85/1024285185.db2.gz SRTCQTPIIAYHLK-STQMWFEESA-N 2 2 300.899 3.654 20 0 DHADLP Cc1cc(C(F)(F)F)cc(NC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000663399060 1024299046 /nfs/dbraw/zinc/29/90/46/1024299046.db2.gz YBDMAXCEYIWZKE-UHFFFAOYSA-N 2 2 313.367 3.695 20 0 DHADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccncc1 ZINC000453068542 1024299440 /nfs/dbraw/zinc/29/94/40/1024299440.db2.gz BDDAZQQJCLCNNC-LJQANCHMSA-N 2 2 306.413 3.567 20 0 DHADLP CC(C)(C)c1cnc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000790468533 1024307309 /nfs/dbraw/zinc/30/73/09/1024307309.db2.gz WATVUNNBPRFJMF-CYBMUJFWSA-N 2 2 320.506 3.842 20 0 DHADLP FC1(F)CCC[C@H]1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000883265530 1024336691 /nfs/dbraw/zinc/33/66/91/1024336691.db2.gz DUACXRUJOMLQKL-LBPRGKRZSA-N 2 2 311.401 3.849 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)s1 ZINC000663468966 1024414561 /nfs/dbraw/zinc/41/45/61/1024414561.db2.gz NTVYRQRVTQDZLQ-BLLLJJGKSA-N 2 2 307.507 3.533 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)s1 ZINC000663468966 1024414566 /nfs/dbraw/zinc/41/45/66/1024414566.db2.gz NTVYRQRVTQDZLQ-BLLLJJGKSA-N 2 2 307.507 3.533 20 0 DHADLP Cc1ncc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883386937 1024419564 /nfs/dbraw/zinc/41/95/64/1024419564.db2.gz OWKCSMRMPGCUCY-CZUORRHYSA-N 2 2 312.442 3.740 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCSCC1 ZINC000883387879 1024422300 /nfs/dbraw/zinc/42/23/00/1024422300.db2.gz HGFJGNZTUWLKNB-QAPCUYQASA-N 2 2 315.486 3.746 20 0 DHADLP CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccncc1 ZINC000883387766 1024422623 /nfs/dbraw/zinc/42/26/23/1024422623.db2.gz DXAGBGIKRIYJHT-MOPGFXCFSA-N 2 2 306.413 3.760 20 0 DHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cccnc1 ZINC000270738065 1024423097 /nfs/dbraw/zinc/42/30/97/1024423097.db2.gz PRUMCMPCXZXHIX-KRWDZBQOSA-N 2 2 324.472 3.776 20 0 DHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cccnc1 ZINC000270738065 1024423104 /nfs/dbraw/zinc/42/31/04/1024423104.db2.gz PRUMCMPCXZXHIX-KRWDZBQOSA-N 2 2 324.472 3.776 20 0 DHADLP CCOC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883387857 1024423268 /nfs/dbraw/zinc/42/32/68/1024423268.db2.gz GSDNPVALPUNUAG-ACBHZAAOSA-N 2 2 313.445 3.562 20 0 DHADLP CCOc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883398110 1024426602 /nfs/dbraw/zinc/42/66/02/1024426602.db2.gz DAKACOWPHCQSED-FQEVSTJZSA-N 2 2 321.424 3.813 20 0 DHADLP c1cn(C[C@H]([NH2+]Cc2cnc(C3CC3)s2)c2ccccc2)c[nH+]1 ZINC000883396991 1024427405 /nfs/dbraw/zinc/42/74/05/1024427405.db2.gz BANMEXCLGKZPKN-KRWDZBQOSA-N 2 2 324.453 3.748 20 0 DHADLP c1cn(C[C@H]([NH2+]Cc2scnc2C2CC2)c2ccccc2)c[nH+]1 ZINC000883397623 1024427906 /nfs/dbraw/zinc/42/79/06/1024427906.db2.gz QYRVYQHVEVMZCA-INIZCTEOSA-N 2 2 324.453 3.748 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000270881649 1024435015 /nfs/dbraw/zinc/43/50/15/1024435015.db2.gz NNYUZOKUAJTGHO-UHFFFAOYSA-N 2 2 324.403 3.601 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000270881649 1024435019 /nfs/dbraw/zinc/43/50/19/1024435019.db2.gz NNYUZOKUAJTGHO-UHFFFAOYSA-N 2 2 324.403 3.601 20 0 DHADLP Cc1cccnc1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000453304391 1024453452 /nfs/dbraw/zinc/45/34/52/1024453452.db2.gz GBFYYJBGTCBIDZ-WIYYLYMNSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cccnc1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000453304391 1024453457 /nfs/dbraw/zinc/45/34/57/1024453457.db2.gz GBFYYJBGTCBIDZ-WIYYLYMNSA-N 2 2 323.484 3.575 20 0 DHADLP COCC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000453393555 1024510039 /nfs/dbraw/zinc/51/00/39/1024510039.db2.gz VCKYQOBQDGMKPG-MRXNPFEDSA-N 2 2 313.445 3.730 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000317647937 1024582041 /nfs/dbraw/zinc/58/20/41/1024582041.db2.gz XXQZDSVRVSBIIU-SJORKVTESA-N 2 2 301.409 3.714 20 0 DHADLP CC[NH+](CC)CCC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001167834353 1024585177 /nfs/dbraw/zinc/58/51/77/1024585177.db2.gz IVJKPKZYBPQBPQ-GOSISDBHSA-N 3 2 323.569 3.836 20 0 DHADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001167834353 1024585186 /nfs/dbraw/zinc/58/51/86/1024585186.db2.gz IVJKPKZYBPQBPQ-GOSISDBHSA-N 3 2 323.569 3.836 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000532240133 1024586383 /nfs/dbraw/zinc/58/63/83/1024586383.db2.gz DPUXEYAUFLAYSM-IAGOWNOFSA-N 2 2 309.457 3.741 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000532240133 1024586392 /nfs/dbraw/zinc/58/63/92/1024586392.db2.gz DPUXEYAUFLAYSM-IAGOWNOFSA-N 2 2 309.457 3.741 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000532240132 1024587177 /nfs/dbraw/zinc/58/71/77/1024587177.db2.gz DPUXEYAUFLAYSM-DLBZAZTESA-N 2 2 309.457 3.741 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000532240132 1024587181 /nfs/dbraw/zinc/58/71/81/1024587181.db2.gz DPUXEYAUFLAYSM-DLBZAZTESA-N 2 2 309.457 3.741 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000348646801 1024600518 /nfs/dbraw/zinc/60/05/18/1024600518.db2.gz PVZPUDGGVSVBBM-HXUWFJFHSA-N 2 2 310.441 3.686 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000348646801 1024600524 /nfs/dbraw/zinc/60/05/24/1024600524.db2.gz PVZPUDGGVSVBBM-HXUWFJFHSA-N 2 2 310.441 3.686 20 0 DHADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000348646801 1024600531 /nfs/dbraw/zinc/60/05/31/1024600531.db2.gz PVZPUDGGVSVBBM-HXUWFJFHSA-N 2 2 310.441 3.686 20 0 DHADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000348646801 1024600537 /nfs/dbraw/zinc/60/05/37/1024600537.db2.gz PVZPUDGGVSVBBM-HXUWFJFHSA-N 2 2 310.441 3.686 20 0 DHADLP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1Cl ZINC000365307119 1024607914 /nfs/dbraw/zinc/60/79/14/1024607914.db2.gz ARBXKUCTTYPCBB-VXGBXAGGSA-N 2 2 317.235 3.849 20 0 DHADLP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1Cl ZINC000365307119 1024607922 /nfs/dbraw/zinc/60/79/22/1024607922.db2.gz ARBXKUCTTYPCBB-VXGBXAGGSA-N 2 2 317.235 3.849 20 0 DHADLP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccccn1)C[NH+]1CCCCC1 ZINC000194190240 1024619708 /nfs/dbraw/zinc/61/97/08/1024619708.db2.gz ASTCOAPQXLFLQU-RXVVDRJESA-N 2 2 323.484 3.883 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000792263901 1024656912 /nfs/dbraw/zinc/65/69/12/1024656912.db2.gz DXOHUPFXTIPANF-CQSZACIVSA-N 2 2 309.335 3.565 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000792263901 1024656921 /nfs/dbraw/zinc/65/69/21/1024656921.db2.gz DXOHUPFXTIPANF-CQSZACIVSA-N 2 2 309.335 3.565 20 0 DHADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000390914206 1024660996 /nfs/dbraw/zinc/66/09/96/1024660996.db2.gz ZXQMOYPRINYABQ-FQEVSTJZSA-N 2 2 323.484 3.780 20 0 DHADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000390914206 1024661003 /nfs/dbraw/zinc/66/10/03/1024661003.db2.gz ZXQMOYPRINYABQ-FQEVSTJZSA-N 2 2 323.484 3.780 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001168165783 1024738068 /nfs/dbraw/zinc/73/80/68/1024738068.db2.gz JEWOLYKRUIJEDA-KDOFPFPSSA-N 2 2 306.881 3.735 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001168165783 1024738082 /nfs/dbraw/zinc/73/80/82/1024738082.db2.gz JEWOLYKRUIJEDA-KDOFPFPSSA-N 2 2 306.881 3.735 20 0 DHADLP CC[C@H](C)C[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000133624485 1024746040 /nfs/dbraw/zinc/74/60/40/1024746040.db2.gz BMYLDRFSDLKLGT-INIZCTEOSA-N 2 2 303.494 3.923 20 0 DHADLP Fc1ccc(/C=C/C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000349975570 1024775593 /nfs/dbraw/zinc/77/55/93/1024775593.db2.gz YCCFTMUEASBBRW-OWOJBTEDSA-N 2 2 303.356 3.581 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1F ZINC000318865142 1024966485 /nfs/dbraw/zinc/96/64/85/1024966485.db2.gz LNLWJRREMOIMJZ-SWLSCSKDSA-N 2 2 307.388 3.927 20 0 DHADLP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000793346101 1024983696 /nfs/dbraw/zinc/98/36/96/1024983696.db2.gz BKNMRTHIGBZEPR-IAGOWNOFSA-N 2 2 315.505 3.747 20 0 DHADLP C[C@H]1CC[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000793346099 1024984953 /nfs/dbraw/zinc/98/49/53/1024984953.db2.gz BKNMRTHIGBZEPR-DLBZAZTESA-N 2 2 315.505 3.747 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001168187136 1025018389 /nfs/dbraw/zinc/01/83/89/1025018389.db2.gz FPCPFZITWJWSNL-DZGCQCFKSA-N 2 2 303.837 3.807 20 0 DHADLP CCS[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353583533 1025143154 /nfs/dbraw/zinc/14/31/54/1025143154.db2.gz BQJVOTHACQATQE-SFHVURJKSA-N 2 2 315.486 3.980 20 0 DHADLP CCS[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000353583533 1025143185 /nfs/dbraw/zinc/14/31/85/1025143185.db2.gz BQJVOTHACQATQE-SFHVURJKSA-N 2 2 315.486 3.980 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000353598985 1025146298 /nfs/dbraw/zinc/14/62/98/1025146298.db2.gz VMWIVBCBQIJLRQ-OAHLLOKOSA-N 2 2 309.388 3.921 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353607005 1025149680 /nfs/dbraw/zinc/14/96/80/1025149680.db2.gz FZFCIVUJWKRYJV-NHYWBVRUSA-N 2 2 301.821 3.588 20 0 DHADLP C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353668214 1025186244 /nfs/dbraw/zinc/18/62/44/1025186244.db2.gz WTVZYIFSLGAFOO-MRXNPFEDSA-N 2 2 303.409 3.819 20 0 DHADLP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353668214 1025186253 /nfs/dbraw/zinc/18/62/53/1025186253.db2.gz WTVZYIFSLGAFOO-MRXNPFEDSA-N 2 2 303.409 3.819 20 0 DHADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623424859 1025217774 /nfs/dbraw/zinc/21/77/74/1025217774.db2.gz HXJPVCXQQJXBQU-LSDHHAIUSA-N 2 2 314.477 3.580 20 0 DHADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623424859 1025217786 /nfs/dbraw/zinc/21/77/86/1025217786.db2.gz HXJPVCXQQJXBQU-LSDHHAIUSA-N 2 2 314.477 3.580 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(F)F)C[C@@H]1C ZINC000353753702 1025235547 /nfs/dbraw/zinc/23/55/47/1025235547.db2.gz XTBKAAZRBTZJAG-ZFWWWQNUSA-N 2 2 312.404 3.593 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(F)F)C[C@@H]1C ZINC000353753702 1025235558 /nfs/dbraw/zinc/23/55/58/1025235558.db2.gz XTBKAAZRBTZJAG-ZFWWWQNUSA-N 2 2 312.404 3.593 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OC(F)F)C[C@@H]1C ZINC000353753702 1025235570 /nfs/dbraw/zinc/23/55/70/1025235570.db2.gz XTBKAAZRBTZJAG-ZFWWWQNUSA-N 2 2 312.404 3.593 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OC(F)F)C[C@@H]1C ZINC000353753702 1025235577 /nfs/dbraw/zinc/23/55/77/1025235577.db2.gz XTBKAAZRBTZJAG-ZFWWWQNUSA-N 2 2 312.404 3.593 20 0 DHADLP CCCCOC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000353975167 1025307944 /nfs/dbraw/zinc/30/79/44/1025307944.db2.gz UHVGUTMNRDKSMN-UHFFFAOYSA-N 2 2 313.445 3.653 20 0 DHADLP Cc1cc2cc(NC3CC(C)(C)[NH+](C)C(C)(C)C3)[nH+]cc2[nH]1 ZINC001170454000 1025330248 /nfs/dbraw/zinc/33/02/48/1025330248.db2.gz RGPRPQLLZXEPEX-UHFFFAOYSA-N 2 2 300.450 3.935 20 0 DHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(C3CCC3)s2)C1 ZINC000354101833 1025350698 /nfs/dbraw/zinc/35/06/98/1025350698.db2.gz WRYOUTBPPINZTQ-OAHLLOKOSA-N 2 2 319.518 3.574 20 0 DHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(C3CCC3)s2)C1 ZINC000354101833 1025350711 /nfs/dbraw/zinc/35/07/11/1025350711.db2.gz WRYOUTBPPINZTQ-OAHLLOKOSA-N 2 2 319.518 3.574 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000354101833 1025350725 /nfs/dbraw/zinc/35/07/25/1025350725.db2.gz WRYOUTBPPINZTQ-OAHLLOKOSA-N 2 2 319.518 3.574 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000354101833 1025350741 /nfs/dbraw/zinc/35/07/41/1025350741.db2.gz WRYOUTBPPINZTQ-OAHLLOKOSA-N 2 2 319.518 3.574 20 0 DHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000354165102 1025374800 /nfs/dbraw/zinc/37/48/00/1025374800.db2.gz DTHJYQXFQFMASA-SFHVURJKSA-N 2 2 319.518 3.718 20 0 DHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000354165102 1025374805 /nfs/dbraw/zinc/37/48/05/1025374805.db2.gz DTHJYQXFQFMASA-SFHVURJKSA-N 2 2 319.518 3.718 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000354165102 1025374816 /nfs/dbraw/zinc/37/48/16/1025374816.db2.gz DTHJYQXFQFMASA-SFHVURJKSA-N 2 2 319.518 3.718 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000354165102 1025374823 /nfs/dbraw/zinc/37/48/23/1025374823.db2.gz DTHJYQXFQFMASA-SFHVURJKSA-N 2 2 319.518 3.718 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000123759232 1025398752 /nfs/dbraw/zinc/39/87/52/1025398752.db2.gz AOEJSCSIOQGMNW-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000123759232 1025398768 /nfs/dbraw/zinc/39/87/68/1025398768.db2.gz AOEJSCSIOQGMNW-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123822829 1025399466 /nfs/dbraw/zinc/39/94/66/1025399466.db2.gz DLEZFPQCOFWBIW-LSDHHAIUSA-N 2 2 301.409 3.575 20 0 DHADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123822829 1025399484 /nfs/dbraw/zinc/39/94/84/1025399484.db2.gz DLEZFPQCOFWBIW-LSDHHAIUSA-N 2 2 301.409 3.575 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cnccc2C)c(C)c1 ZINC000354482138 1025442971 /nfs/dbraw/zinc/44/29/71/1025442971.db2.gz TUKHWZYXZSFZFH-HXUWFJFHSA-N 2 2 320.440 3.734 20 0 DHADLP CCCC(O)(CCC)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152041918 1025444231 /nfs/dbraw/zinc/44/42/31/1025444231.db2.gz XPZQLPJQDMALCK-INIZCTEOSA-N 2 2 315.461 3.854 20 0 DHADLP Cc1coc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000886042108 1025448735 /nfs/dbraw/zinc/44/87/35/1025448735.db2.gz VLZRSBRMDHRRSB-LJQANCHMSA-N 2 2 309.413 3.932 20 0 DHADLP C[C@@H]1CCc2nc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)sc2C1 ZINC000152046140 1025453168 /nfs/dbraw/zinc/45/31/68/1025453168.db2.gz UNBIDBVCSPXLQB-GFCCVEGCSA-N 2 2 321.534 3.667 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCC3)C1 ZINC000354551434 1025455178 /nfs/dbraw/zinc/45/51/78/1025455178.db2.gz ZJUHMYDUYQSSFY-KXBFYZLASA-N 2 2 307.441 3.818 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCC3)C1 ZINC000354551434 1025455181 /nfs/dbraw/zinc/45/51/81/1025455181.db2.gz ZJUHMYDUYQSSFY-KXBFYZLASA-N 2 2 307.441 3.818 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000144765666 1025467916 /nfs/dbraw/zinc/46/79/16/1025467916.db2.gz FAEMZOKQVAUDDS-MRXNPFEDSA-N 2 2 301.434 3.803 20 0 DHADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccnc1 ZINC000125623530 1025482977 /nfs/dbraw/zinc/48/29/77/1025482977.db2.gz VCEWTARQRNGMDY-UHFFFAOYSA-N 2 2 306.413 3.678 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886162074 1025538702 /nfs/dbraw/zinc/53/87/02/1025538702.db2.gz FERXYZLTRWHZGB-QZTJIDSGSA-N 2 2 308.510 3.578 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCC=CCC3)CC2)cc1 ZINC000886376525 1025610373 /nfs/dbraw/zinc/61/03/73/1025610373.db2.gz BTJQLCPBSKLXAX-UHFFFAOYSA-N 2 2 313.489 3.810 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000894037842 1025668130 /nfs/dbraw/zinc/66/81/30/1025668130.db2.gz TXDQBCPBLHAAAF-ZDUSSCGKSA-N 2 2 300.368 3.679 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000894037842 1025668138 /nfs/dbraw/zinc/66/81/38/1025668138.db2.gz TXDQBCPBLHAAAF-ZDUSSCGKSA-N 2 2 300.368 3.679 20 0 DHADLP CN(c1ccc([NH2+][C@@H]2CC[C@H]2C2CC2)cc1)C1CC[NH+](C)CC1 ZINC000806151067 1025810230 /nfs/dbraw/zinc/81/02/30/1025810230.db2.gz HUZAICJNKBJUAA-VQTJNVASSA-N 2 2 313.489 3.818 20 0 DHADLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000140205315 1025921734 /nfs/dbraw/zinc/92/17/34/1025921734.db2.gz ALIDXVXDBHRUHU-FQEVSTJZSA-N 2 2 318.424 3.913 20 0 DHADLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000140205315 1025921746 /nfs/dbraw/zinc/92/17/46/1025921746.db2.gz ALIDXVXDBHRUHU-FQEVSTJZSA-N 2 2 318.424 3.913 20 0 DHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncs1 ZINC000283047779 1025999068 /nfs/dbraw/zinc/99/90/68/1025999068.db2.gz RXCGEMVJDOZRGT-QGZVFWFLSA-N 2 2 315.486 3.533 20 0 DHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncs1 ZINC000283047779 1025999080 /nfs/dbraw/zinc/99/90/80/1025999080.db2.gz RXCGEMVJDOZRGT-QGZVFWFLSA-N 2 2 315.486 3.533 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310654 1026017395 /nfs/dbraw/zinc/01/73/95/1026017395.db2.gz VFXOPUANLPGDQL-SMDDNHRTSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310654 1026017415 /nfs/dbraw/zinc/01/74/15/1026017415.db2.gz VFXOPUANLPGDQL-SMDDNHRTSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310654 1026017435 /nfs/dbraw/zinc/01/74/35/1026017435.db2.gz VFXOPUANLPGDQL-SMDDNHRTSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310654 1026017455 /nfs/dbraw/zinc/01/74/55/1026017455.db2.gz VFXOPUANLPGDQL-SMDDNHRTSA-N 2 2 318.408 3.683 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245547186 1026069944 /nfs/dbraw/zinc/06/99/44/1026069944.db2.gz MNMJLTCYMWCYFD-IJEWVQPXSA-N 2 2 310.401 3.668 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245547186 1026069953 /nfs/dbraw/zinc/06/99/53/1026069953.db2.gz MNMJLTCYMWCYFD-IJEWVQPXSA-N 2 2 310.401 3.668 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC[N@@H+]1C ZINC000245590760 1026092185 /nfs/dbraw/zinc/09/21/85/1026092185.db2.gz LDQYJZZHPCKUFA-BYCMXARLSA-N 2 2 318.358 3.892 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC[N@H+]1C ZINC000245590760 1026092196 /nfs/dbraw/zinc/09/21/96/1026092196.db2.gz LDQYJZZHPCKUFA-BYCMXARLSA-N 2 2 318.358 3.892 20 0 DHADLP CC(C)C(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000808733137 1026385411 /nfs/dbraw/zinc/38/54/11/1026385411.db2.gz XONGIUXFSNRDDY-MJGOQNOKSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)C(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000808733137 1026385423 /nfs/dbraw/zinc/38/54/23/1026385423.db2.gz XONGIUXFSNRDDY-MJGOQNOKSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)C(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000808733137 1026385434 /nfs/dbraw/zinc/38/54/34/1026385434.db2.gz XONGIUXFSNRDDY-MJGOQNOKSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)C(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000808733137 1026385449 /nfs/dbraw/zinc/38/54/49/1026385449.db2.gz XONGIUXFSNRDDY-MJGOQNOKSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]2CCCC[C@@H]12 ZINC000809549140 1026558070 /nfs/dbraw/zinc/55/80/70/1026558070.db2.gz NNMBUCMFTLQKQU-KBMXLJTQSA-N 2 2 307.507 3.605 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]2CCCC[C@@H]12 ZINC000809549140 1026558073 /nfs/dbraw/zinc/55/80/73/1026558073.db2.gz NNMBUCMFTLQKQU-KBMXLJTQSA-N 2 2 307.507 3.605 20 0 DHADLP Cc1ccc([C@@H]2CC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000809639685 1026581444 /nfs/dbraw/zinc/58/14/44/1026581444.db2.gz ZFXZYLKMAXKTPU-MRXNPFEDSA-N 2 2 315.486 3.503 20 0 DHADLP Cc1ccc([C@@H]2CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000809639685 1026581452 /nfs/dbraw/zinc/58/14/52/1026581452.db2.gz ZFXZYLKMAXKTPU-MRXNPFEDSA-N 2 2 315.486 3.503 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(CSC(F)F)o1 ZINC000809749332 1026614328 /nfs/dbraw/zinc/61/43/28/1026614328.db2.gz FOGKQUFRDCZSFK-UHFFFAOYSA-N 2 2 306.422 3.509 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2c(F)cccc2F)cc1 ZINC000809739138 1026611263 /nfs/dbraw/zinc/61/12/63/1026611263.db2.gz YOGJGHQMDIWNIR-UHFFFAOYSA-N 2 2 304.384 3.658 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c(F)cccc2F)cc1 ZINC000809739138 1026611266 /nfs/dbraw/zinc/61/12/66/1026611266.db2.gz YOGJGHQMDIWNIR-UHFFFAOYSA-N 2 2 304.384 3.658 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(CSC(F)F)o1 ZINC000809749332 1026614324 /nfs/dbraw/zinc/61/43/24/1026614324.db2.gz FOGKQUFRDCZSFK-UHFFFAOYSA-N 2 2 306.422 3.509 20 0 DHADLP C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809782879 1026623783 /nfs/dbraw/zinc/62/37/83/1026623783.db2.gz JZLAUSDOCUZXIY-KGLIPLIRSA-N 2 2 309.523 3.851 20 0 DHADLP C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809782879 1026623788 /nfs/dbraw/zinc/62/37/88/1026623788.db2.gz JZLAUSDOCUZXIY-KGLIPLIRSA-N 2 2 309.523 3.851 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000810146987 1026693836 /nfs/dbraw/zinc/69/38/36/1026693836.db2.gz BLGMWGGIAWPZBJ-OKFGHLOFSA-N 2 2 324.415 3.765 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000810146987 1026693840 /nfs/dbraw/zinc/69/38/40/1026693840.db2.gz BLGMWGGIAWPZBJ-OKFGHLOFSA-N 2 2 324.415 3.765 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000810146989 1026693991 /nfs/dbraw/zinc/69/39/91/1026693991.db2.gz BLGMWGGIAWPZBJ-ZQHYZAEZSA-N 2 2 324.415 3.765 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000810146989 1026693994 /nfs/dbraw/zinc/69/39/94/1026693994.db2.gz BLGMWGGIAWPZBJ-ZQHYZAEZSA-N 2 2 324.415 3.765 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319635903 1026732460 /nfs/dbraw/zinc/73/24/60/1026732460.db2.gz BMGMSIUOKIAAPX-YJBOKZPZSA-N 2 2 315.461 3.966 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000420274442 1026796897 /nfs/dbraw/zinc/79/68/97/1026796897.db2.gz OPGMJNSZRHHOPI-OAHLLOKOSA-N 2 2 310.869 3.559 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000420274442 1026796906 /nfs/dbraw/zinc/79/69/06/1026796906.db2.gz OPGMJNSZRHHOPI-OAHLLOKOSA-N 2 2 310.869 3.559 20 0 DHADLP C[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420385174 1026812997 /nfs/dbraw/zinc/81/29/97/1026812997.db2.gz UPUPZJFGJVPIJD-CJNGLKHVSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420385173 1026812576 /nfs/dbraw/zinc/81/25/76/1026812576.db2.gz UPUPZJFGJVPIJD-BBRMVZONSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420385173 1026812585 /nfs/dbraw/zinc/81/25/85/1026812585.db2.gz UPUPZJFGJVPIJD-BBRMVZONSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420385174 1026813007 /nfs/dbraw/zinc/81/30/07/1026813007.db2.gz UPUPZJFGJVPIJD-CJNGLKHVSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCSC2)C[N@H+](Cc2ccccc2)C1 ZINC000561981887 1027156030 /nfs/dbraw/zinc/15/60/30/1027156030.db2.gz APLXDTSHJLQQGD-BHIYHBOVSA-N 2 2 318.530 3.630 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCSC2)C[N@@H+](Cc2ccccc2)C1 ZINC000561981887 1027156037 /nfs/dbraw/zinc/15/60/37/1027156037.db2.gz APLXDTSHJLQQGD-BHIYHBOVSA-N 2 2 318.530 3.630 20 0 DHADLP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000362376438 1027170159 /nfs/dbraw/zinc/17/01/59/1027170159.db2.gz NYWWJAQFOPJBKW-UHFFFAOYSA-N 2 2 324.472 3.573 20 0 DHADLP CC(C)Oc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422711281 1027300850 /nfs/dbraw/zinc/30/08/50/1027300850.db2.gz GVKCXOZZPWXQIL-QFBILLFUSA-N 2 2 312.457 3.522 20 0 DHADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422734858 1027304425 /nfs/dbraw/zinc/30/44/25/1027304425.db2.gz DFEYDINRVAWAOY-QLFBSQMISA-N 2 2 321.534 3.841 20 0 DHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170678154 1027305120 /nfs/dbraw/zinc/30/51/20/1027305120.db2.gz WCIJRHGXUJLZME-CVEARBPZSA-N 2 2 322.443 3.532 20 0 DHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170678154 1027305141 /nfs/dbraw/zinc/30/51/41/1027305141.db2.gz WCIJRHGXUJLZME-CVEARBPZSA-N 2 2 322.443 3.532 20 0 DHADLP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000422743003 1027311207 /nfs/dbraw/zinc/31/12/07/1027311207.db2.gz SSCODFHTILUPKR-ICSRJNTNSA-N 3 2 317.521 3.567 20 0 DHADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422744727 1027311624 /nfs/dbraw/zinc/31/16/24/1027311624.db2.gz UCCUUKGNPLIRAV-KGLIPLIRSA-N 2 2 309.523 3.841 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000573657059 1027315146 /nfs/dbraw/zinc/31/51/46/1027315146.db2.gz WBCFJYGZZOVNTF-ZIAGYGMSSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000573657059 1027315160 /nfs/dbraw/zinc/31/51/60/1027315160.db2.gz WBCFJYGZZOVNTF-ZIAGYGMSSA-N 2 2 314.395 3.568 20 0 DHADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422791015 1027332244 /nfs/dbraw/zinc/33/22/44/1027332244.db2.gz YBJCIELIZZQDDZ-CSMYWGQOSA-N 2 2 310.844 3.880 20 0 DHADLP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000423079449 1027409675 /nfs/dbraw/zinc/40/96/75/1027409675.db2.gz ABYGFLWEWFQWJA-KSZLIROESA-N 2 2 316.832 3.762 20 0 DHADLP Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000423137287 1027435546 /nfs/dbraw/zinc/43/55/46/1027435546.db2.gz QOOMBKGNFBLBPG-AFAVFJNCSA-N 2 2 312.379 3.504 20 0 DHADLP [NH3+]CC[NH2+][C@@H](CCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000423189255 1027449538 /nfs/dbraw/zinc/44/95/38/1027449538.db2.gz QTVKIROXGMRQEG-KRWDZBQOSA-N 2 2 322.424 3.737 20 0 DHADLP COc1cc(F)c([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1OC ZINC000423204096 1027455858 /nfs/dbraw/zinc/45/58/58/1027455858.db2.gz UJOZBRNOTKBWIA-ZDUSSCGKSA-N 2 2 324.440 3.545 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1(c2ccccc2)CCCC1 ZINC000575166118 1027461040 /nfs/dbraw/zinc/46/10/40/1027461040.db2.gz YIYHOESHXYJAHS-WMZOPIPTSA-N 2 2 309.457 3.688 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCCO2 ZINC000423233596 1027469618 /nfs/dbraw/zinc/46/96/18/1027469618.db2.gz DUPXJTGQLWLSDB-RTBURBONSA-N 2 2 310.441 3.807 20 0 DHADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(OC(F)F)c1 ZINC000423243761 1027472845 /nfs/dbraw/zinc/47/28/45/1027472845.db2.gz NBUVDJIIOZGMGD-LRDDRELGSA-N 2 2 306.356 3.639 20 0 DHADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000423282175 1027482652 /nfs/dbraw/zinc/48/26/52/1027482652.db2.gz CEVYMIFISOLDHQ-NSHDSACASA-N 2 2 314.857 3.525 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000295903171 1027485489 /nfs/dbraw/zinc/48/54/89/1027485489.db2.gz ZAZDZYIDJFZURF-QAPCUYQASA-N 2 2 301.478 3.775 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423370807 1027523976 /nfs/dbraw/zinc/52/39/76/1027523976.db2.gz UOHNLHMXZFINSM-HEHGZKQESA-N 2 2 315.486 3.767 20 0 DHADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423392813 1027530263 /nfs/dbraw/zinc/53/02/63/1027530263.db2.gz QPQUVRFZJPXDHO-YTQUADARSA-N 2 2 316.489 3.522 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000576059253 1027553126 /nfs/dbraw/zinc/55/31/26/1027553126.db2.gz VLVFWFCJWCFNRW-QZTJIDSGSA-N 2 2 311.473 3.951 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000576059253 1027553136 /nfs/dbraw/zinc/55/31/36/1027553136.db2.gz VLVFWFCJWCFNRW-QZTJIDSGSA-N 2 2 311.473 3.951 20 0 DHADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000423481515 1027565110 /nfs/dbraw/zinc/56/51/10/1027565110.db2.gz WTUQASNZPZSSME-CABZTGNLSA-N 2 2 311.223 3.583 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc2c(ccc3ccccc23)o1 ZINC000423492750 1027574738 /nfs/dbraw/zinc/57/47/38/1027574738.db2.gz ONFDQJGWEBMFEK-GDBMZVCRSA-N 2 2 324.424 3.615 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000423497443 1027575026 /nfs/dbraw/zinc/57/50/26/1027575026.db2.gz GZKQYPLFUIFONH-DNVCBOLYSA-N 2 2 311.473 3.666 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000423524939 1027580503 /nfs/dbraw/zinc/58/05/03/1027580503.db2.gz JWSYFYVHMIBOBB-XOKHGSTOSA-N 2 2 300.471 3.717 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423573182 1027588525 /nfs/dbraw/zinc/58/85/25/1027588525.db2.gz ZCHIBALGDGGZPN-XJKSGUPXSA-N 2 2 315.486 3.911 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCC[C@@H](c3ccccc3)C1)C2 ZINC000577249885 1027735488 /nfs/dbraw/zinc/73/54/88/1027735488.db2.gz JJCHKFRUIOWZPH-KURKYZTESA-N 2 2 309.457 3.973 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)ccn1 ZINC000527634107 1027797160 /nfs/dbraw/zinc/79/71/60/1027797160.db2.gz KJQCFYUOBVOHFG-NRFANRHFSA-N 2 2 323.484 3.563 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)ccn1 ZINC000527634107 1027797181 /nfs/dbraw/zinc/79/71/81/1027797181.db2.gz KJQCFYUOBVOHFG-NRFANRHFSA-N 2 2 323.484 3.563 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC[C@@H](c3ccccc3)CC1)CC2 ZINC000527695136 1027830034 /nfs/dbraw/zinc/83/00/34/1027830034.db2.gz MXCRMESARYLSOM-GUDVDZBRSA-N 2 2 309.457 3.904 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527681893 1027840770 /nfs/dbraw/zinc/84/07/70/1027840770.db2.gz KQJQQENRQDWNJS-SLUIBLPYSA-N 2 2 313.489 3.631 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CC[C@@H](Cc3ccccc3)C1)C2 ZINC000364649045 1027864037 /nfs/dbraw/zinc/86/40/37/1027864037.db2.gz SOYSEWNVJNILCA-FHWLQOOXSA-N 2 2 309.457 3.507 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CCS2 ZINC000779027153 1027915021 /nfs/dbraw/zinc/91/50/21/1027915021.db2.gz LXUKMBYLFALNOM-WBVHZDCISA-N 2 2 304.503 3.914 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CCS2 ZINC000779027153 1027915040 /nfs/dbraw/zinc/91/50/40/1027915040.db2.gz LXUKMBYLFALNOM-WBVHZDCISA-N 2 2 304.503 3.914 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000365613358 1027984167 /nfs/dbraw/zinc/98/41/67/1027984167.db2.gz PAWGKNSWRBDWKT-BXUZGUMPSA-N 2 2 323.362 3.679 20 0 DHADLP C([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954190 1027988073 /nfs/dbraw/zinc/98/80/73/1027988073.db2.gz ZAMPIKWDAUSEQJ-IBGZPJMESA-N 2 2 320.521 3.722 20 0 DHADLP C([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527954190 1027988086 /nfs/dbraw/zinc/98/80/86/1027988086.db2.gz ZAMPIKWDAUSEQJ-IBGZPJMESA-N 2 2 320.521 3.722 20 0 DHADLP C([NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954465 1027988301 /nfs/dbraw/zinc/98/83/01/1027988301.db2.gz ZQNAFKPWOKOYEJ-OJAHFUOMSA-N 2 2 320.521 3.578 20 0 DHADLP C([NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527954465 1027988313 /nfs/dbraw/zinc/98/83/13/1027988313.db2.gz ZQNAFKPWOKOYEJ-OJAHFUOMSA-N 2 2 320.521 3.578 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc3ccccc3n1)CCC2 ZINC000366226503 1028064644 /nfs/dbraw/zinc/06/46/44/1028064644.db2.gz AUYKEDZHDVUSQV-RDJZCZTQSA-N 2 2 320.440 3.968 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000367063915 1028129659 /nfs/dbraw/zinc/12/96/59/1028129659.db2.gz APFQPSOMZRLKGQ-UWWQBHOKSA-N 2 2 324.896 3.736 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000367063915 1028129666 /nfs/dbraw/zinc/12/96/66/1028129666.db2.gz APFQPSOMZRLKGQ-UWWQBHOKSA-N 2 2 324.896 3.736 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C(C)(C)C ZINC000368000046 1028273468 /nfs/dbraw/zinc/27/34/68/1028273468.db2.gz WORFJGZWWVJNMI-ROUUACIJSA-N 2 2 303.494 3.708 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C(C)(C)C ZINC000368000046 1028273485 /nfs/dbraw/zinc/27/34/85/1028273485.db2.gz WORFJGZWWVJNMI-ROUUACIJSA-N 2 2 303.494 3.708 20 0 DHADLP Fc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)cc1 ZINC000368098251 1028298354 /nfs/dbraw/zinc/29/83/54/1028298354.db2.gz BDNPHHUUTDAWMV-VQIMIIECSA-N 2 2 313.420 3.927 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(SC(F)F)cc1 ZINC000368101983 1028299332 /nfs/dbraw/zinc/29/93/32/1028299332.db2.gz MDKWQLDZMCGFIW-PWSUYJOCSA-N 2 2 323.412 3.933 20 0 DHADLP CCCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000368098646 1028300770 /nfs/dbraw/zinc/30/07/70/1028300770.db2.gz CGYYUIREJWNXTA-HOTGVXAUSA-N 2 2 301.409 3.927 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(COC)CC1)c1ccccc1 ZINC000449065783 1028302948 /nfs/dbraw/zinc/30/29/48/1028302948.db2.gz WGAFGCUXTBHCPV-UUKMXZOPSA-N 2 2 318.505 3.864 20 0 DHADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000368262619 1028323794 /nfs/dbraw/zinc/32/37/94/1028323794.db2.gz ZLJCVMQNGKGVKJ-WOZUAGRISA-N 2 2 321.468 3.562 20 0 DHADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000368262619 1028323811 /nfs/dbraw/zinc/32/38/11/1028323811.db2.gz ZLJCVMQNGKGVKJ-WOZUAGRISA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000368262619 1028323825 /nfs/dbraw/zinc/32/38/25/1028323825.db2.gz ZLJCVMQNGKGVKJ-WOZUAGRISA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000368262619 1028323840 /nfs/dbraw/zinc/32/38/40/1028323840.db2.gz ZLJCVMQNGKGVKJ-WOZUAGRISA-N 2 2 321.468 3.562 20 0 DHADLP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000449081518 1028343071 /nfs/dbraw/zinc/34/30/71/1028343071.db2.gz FXRPJRMMGWUKQJ-BRJVHFRTSA-N 2 2 322.537 3.967 20 0 DHADLP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000449081518 1028343092 /nfs/dbraw/zinc/34/30/92/1028343092.db2.gz FXRPJRMMGWUKQJ-BRJVHFRTSA-N 2 2 322.537 3.967 20 0 DHADLP CC1CC[NH+](CC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449081136 1028343600 /nfs/dbraw/zinc/34/36/00/1028343600.db2.gz BZCJTYSBPAVIPW-UHFFFAOYSA-N 2 2 308.510 3.578 20 0 DHADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC000449098168 1028351178 /nfs/dbraw/zinc/35/11/78/1028351178.db2.gz OTIKMHWYWLROOS-HNNXBMFYSA-N 2 2 324.390 3.698 20 0 DHADLP c1ccc(NCCC[NH2+]C2CCC(OC3CCCC3)CC2)[nH+]c1 ZINC000449221997 1028462209 /nfs/dbraw/zinc/46/22/09/1028462209.db2.gz HPOHDJOIPGBEGD-UHFFFAOYSA-N 2 2 317.477 3.744 20 0 DHADLP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000449259428 1028480866 /nfs/dbraw/zinc/48/08/66/1028480866.db2.gz QWGRQVOGZQQUSF-HYVNUMGLSA-N 2 2 315.848 3.777 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccsc3)[C@H](C)C2)s1 ZINC000369590183 1028506258 /nfs/dbraw/zinc/50/62/58/1028506258.db2.gz DXSVBGXBOSLVFJ-WBMJQRKESA-N 2 2 321.515 3.513 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccsc3)[C@H](C)C2)s1 ZINC000369590183 1028506269 /nfs/dbraw/zinc/50/62/69/1028506269.db2.gz DXSVBGXBOSLVFJ-WBMJQRKESA-N 2 2 321.515 3.513 20 0 DHADLP CO[C@@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000369794508 1028532610 /nfs/dbraw/zinc/53/26/10/1028532610.db2.gz GJGRVCWXMZUEGA-IBGZPJMESA-N 2 2 313.445 3.572 20 0 DHADLP CO[C@@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000369794508 1028532621 /nfs/dbraw/zinc/53/26/21/1028532621.db2.gz GJGRVCWXMZUEGA-IBGZPJMESA-N 2 2 313.445 3.572 20 0 DHADLP Cc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC000449326041 1028533830 /nfs/dbraw/zinc/53/38/30/1028533830.db2.gz RTILXXAIZIOMTN-UHFFFAOYSA-N 2 2 303.475 3.945 20 0 DHADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccncc4)C3)C2)cc1 ZINC000370057035 1028559040 /nfs/dbraw/zinc/55/90/40/1028559040.db2.gz UPMVNOVJLGUQBG-NRFANRHFSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccncc4)C3)C2)cc1 ZINC000370057035 1028559054 /nfs/dbraw/zinc/55/90/54/1028559054.db2.gz UPMVNOVJLGUQBG-NRFANRHFSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccncc4)C3)C2)cc1 ZINC000370057035 1028559064 /nfs/dbraw/zinc/55/90/64/1028559064.db2.gz UPMVNOVJLGUQBG-NRFANRHFSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccncc4)C3)C2)cc1 ZINC000370057035 1028559075 /nfs/dbraw/zinc/55/90/75/1028559075.db2.gz UPMVNOVJLGUQBG-NRFANRHFSA-N 2 2 321.468 3.570 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000370115768 1028567558 /nfs/dbraw/zinc/56/75/58/1028567558.db2.gz YRXYNIKBYGQVLD-HKUYNNGSSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000370115768 1028567565 /nfs/dbraw/zinc/56/75/65/1028567565.db2.gz YRXYNIKBYGQVLD-HKUYNNGSSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1)CCC2 ZINC000370681144 1028637392 /nfs/dbraw/zinc/63/73/92/1028637392.db2.gz DJUPFTCOLVYKEF-VXGBXAGGSA-N 2 2 323.362 3.837 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000449485765 1028694041 /nfs/dbraw/zinc/69/40/41/1028694041.db2.gz ORGVDTNNOKSOKD-UHFFFAOYSA-N 2 2 306.416 3.963 20 0 DHADLP CCc1noc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000119186541 1028717565 /nfs/dbraw/zinc/71/75/65/1028717565.db2.gz NFSSJLYRZHJVAS-RDJZCZTQSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1noc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000119186541 1028717577 /nfs/dbraw/zinc/71/75/77/1028717577.db2.gz NFSSJLYRZHJVAS-RDJZCZTQSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1noc(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000119186541 1028717591 /nfs/dbraw/zinc/71/75/91/1028717591.db2.gz NFSSJLYRZHJVAS-RDJZCZTQSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1noc(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000119186541 1028717606 /nfs/dbraw/zinc/71/76/06/1028717606.db2.gz NFSSJLYRZHJVAS-RDJZCZTQSA-N 2 2 319.493 3.632 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCC(C(F)(F)F)CC1 ZINC000567432289 1028894604 /nfs/dbraw/zinc/89/46/04/1028894604.db2.gz NZBDELUIFINHOM-WTIISPKJSA-N 2 2 315.383 3.614 20 0 DHADLP Cc1ncccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000372806580 1028904394 /nfs/dbraw/zinc/90/43/94/1028904394.db2.gz VVDULNMRHMMSBH-UTKZUKDTSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ncccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000372806580 1028904402 /nfs/dbraw/zinc/90/44/02/1028904402.db2.gz VVDULNMRHMMSBH-UTKZUKDTSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ncccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000372806580 1028904414 /nfs/dbraw/zinc/90/44/14/1028904414.db2.gz VVDULNMRHMMSBH-UTKZUKDTSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ncccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000372806580 1028904425 /nfs/dbraw/zinc/90/44/25/1028904425.db2.gz VVDULNMRHMMSBH-UTKZUKDTSA-N 2 2 323.484 3.732 20 0 DHADLP FC(F)(F)c1cccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000628157877 1028908779 /nfs/dbraw/zinc/90/87/79/1028908779.db2.gz YEDUBNAOPBWJDC-UHFFFAOYSA-N 2 2 323.362 3.851 20 0 DHADLP Cc1cncc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000372926065 1028921389 /nfs/dbraw/zinc/92/13/89/1028921389.db2.gz SDEOHSBACXSQKE-NQIIRXRSSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cncc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000372926065 1028921398 /nfs/dbraw/zinc/92/13/98/1028921398.db2.gz SDEOHSBACXSQKE-NQIIRXRSSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cncc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000372926065 1028921406 /nfs/dbraw/zinc/92/14/06/1028921406.db2.gz SDEOHSBACXSQKE-NQIIRXRSSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cncc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000372926065 1028921412 /nfs/dbraw/zinc/92/14/12/1028921412.db2.gz SDEOHSBACXSQKE-NQIIRXRSSA-N 2 2 323.484 3.732 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccn2Cc2cccs2)CC1 ZINC000372967897 1028926909 /nfs/dbraw/zinc/92/69/09/1028926909.db2.gz PVPILTOZKZAIDB-MRXNPFEDSA-N 2 2 317.502 3.514 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccn2Cc2cccs2)CC1 ZINC000372967897 1028926917 /nfs/dbraw/zinc/92/69/17/1028926917.db2.gz PVPILTOZKZAIDB-MRXNPFEDSA-N 2 2 317.502 3.514 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000567750492 1028949082 /nfs/dbraw/zinc/94/90/82/1028949082.db2.gz ZKGXQUKSAFQKBT-YLJYHZDGSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000567750492 1028949090 /nfs/dbraw/zinc/94/90/90/1028949090.db2.gz ZKGXQUKSAFQKBT-YLJYHZDGSA-N 2 2 321.468 3.996 20 0 DHADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC(F)(F)C1 ZINC000628221671 1028949893 /nfs/dbraw/zinc/94/98/93/1028949893.db2.gz QDIOWCCOSYJYEA-BBRMVZONSA-N 2 2 319.399 3.727 20 0 DHADLP CCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000373185670 1028969022 /nfs/dbraw/zinc/96/90/22/1028969022.db2.gz KQMQSMCJJQLOOX-JJRVBVJISA-N 2 2 309.523 3.688 20 0 DHADLP CCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000373185670 1028969041 /nfs/dbraw/zinc/96/90/41/1028969041.db2.gz KQMQSMCJJQLOOX-JJRVBVJISA-N 2 2 309.523 3.688 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[NH+]2CCC2)o1 ZINC000568236780 1029029220 /nfs/dbraw/zinc/02/92/20/1029029220.db2.gz UOMVZRIWSKYBKT-UHFFFAOYSA-N 2 2 302.393 3.580 20 0 DHADLP CC(C)(C)CC[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373480396 1029056406 /nfs/dbraw/zinc/05/64/06/1029056406.db2.gz BUAOHZHBXHCYJM-UHFFFAOYSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCC1 ZINC000373487328 1029059517 /nfs/dbraw/zinc/05/95/17/1029059517.db2.gz VLFPAHRVIAJJCR-UWTIGNOOSA-N 2 2 318.427 3.960 20 0 DHADLP FC(F)(F)c1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000373482802 1029061401 /nfs/dbraw/zinc/06/14/01/1029061401.db2.gz IDJPHGAKWGYSLO-UHFFFAOYSA-N 2 2 312.379 3.812 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000568452744 1029072928 /nfs/dbraw/zinc/07/29/28/1029072928.db2.gz MJYXJMWGUWCTMZ-ZBFHGGJFSA-N 2 2 313.445 3.797 20 0 DHADLP COC1([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000817575266 1029200337 /nfs/dbraw/zinc/20/03/37/1029200337.db2.gz VVXNHRAYVCTUIE-INIZCTEOSA-N 2 2 313.445 3.700 20 0 DHADLP C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817924196 1029277373 /nfs/dbraw/zinc/27/73/73/1029277373.db2.gz GGYMOHZDQVTMCD-ORYQWCPZSA-N 2 2 324.468 3.507 20 0 DHADLP c1ccc(NCCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)[nH+]c1 ZINC000374325936 1029295792 /nfs/dbraw/zinc/29/57/92/1029295792.db2.gz NOPBCCIOHICBMM-WMZOPIPTSA-N 2 2 310.445 3.595 20 0 DHADLP FC(F)(F)c1sccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000529526745 1029356027 /nfs/dbraw/zinc/35/60/27/1029356027.db2.gz ZAPDOKQVURIKQS-UHFFFAOYSA-N 2 2 315.364 3.870 20 0 DHADLP CCOc1ccc([C@@H](CC)[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1OCC ZINC000629525995 1029358452 /nfs/dbraw/zinc/35/84/52/1029358452.db2.gz IMBRGQBRTYPUHX-IXDOHACOSA-N 2 2 320.477 3.665 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000629540900 1029361778 /nfs/dbraw/zinc/36/17/78/1029361778.db2.gz YHJHEYSLIPQBIG-YQQAZPJKSA-N 2 2 320.477 3.665 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000629561205 1029371538 /nfs/dbraw/zinc/37/15/38/1029371538.db2.gz GTKAAZQDLQUPPF-QWHCGFSZSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000629561205 1029371547 /nfs/dbraw/zinc/37/15/47/1029371547.db2.gz GTKAAZQDLQUPPF-QWHCGFSZSA-N 2 2 320.786 3.608 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563346 1029373188 /nfs/dbraw/zinc/37/31/88/1029373188.db2.gz PKPKHCVVSHWUCH-SCDSUCTJSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563346 1029373203 /nfs/dbraw/zinc/37/32/03/1029373203.db2.gz PKPKHCVVSHWUCH-SCDSUCTJSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529550714 1029406225 /nfs/dbraw/zinc/40/62/25/1029406225.db2.gz PKCFZNSTSXBOLJ-RHSMWYFYSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529550714 1029406230 /nfs/dbraw/zinc/40/62/30/1029406230.db2.gz PKCFZNSTSXBOLJ-RHSMWYFYSA-N 2 2 308.416 3.674 20 0 DHADLP CC[N@H+](C)CC[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000571001501 1029443403 /nfs/dbraw/zinc/44/34/03/1029443403.db2.gz SBSSKHGOFDDTPR-RAXLEYEMSA-N 2 2 300.368 3.650 20 0 DHADLP CC[N@@H+](C)CC[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000571001501 1029443406 /nfs/dbraw/zinc/44/34/06/1029443406.db2.gz SBSSKHGOFDDTPR-RAXLEYEMSA-N 2 2 300.368 3.650 20 0 DHADLP Fc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282028013 1029503231 /nfs/dbraw/zinc/50/32/31/1029503231.db2.gz KREOQWUVEFRODV-INIZCTEOSA-N 2 2 313.420 3.738 20 0 DHADLP Fc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282028013 1029503234 /nfs/dbraw/zinc/50/32/34/1029503234.db2.gz KREOQWUVEFRODV-INIZCTEOSA-N 2 2 313.420 3.738 20 0 DHADLP FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450784316 1029653251 /nfs/dbraw/zinc/65/32/51/1029653251.db2.gz IKPRCVOPLSBRFI-LSDHHAIUSA-N 2 2 323.431 3.834 20 0 DHADLP FC1(F)CCCC[C@H]1C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450784316 1029653297 /nfs/dbraw/zinc/65/32/97/1029653297.db2.gz IKPRCVOPLSBRFI-LSDHHAIUSA-N 2 2 323.431 3.834 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC000821872830 1029881578 /nfs/dbraw/zinc/88/15/78/1029881578.db2.gz NILQYTXKFDHKTB-MRXNPFEDSA-N 2 2 303.409 3.992 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC000821872830 1029881587 /nfs/dbraw/zinc/88/15/87/1029881587.db2.gz NILQYTXKFDHKTB-MRXNPFEDSA-N 2 2 303.409 3.992 20 0 DHADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCc3cccc(F)c3C2)c1 ZINC001170974145 1029903868 /nfs/dbraw/zinc/90/38/68/1029903868.db2.gz CNFKUZQJDHBBIH-KRWDZBQOSA-N 2 2 321.399 3.878 20 0 DHADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CC1=Cc2ccccc2OC1 ZINC001202519818 1030061797 /nfs/dbraw/zinc/06/17/97/1030061797.db2.gz LGMBZQACXRKWAA-IBGZPJMESA-N 2 2 314.473 3.563 20 0 DHADLP COc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc2ccccc21 ZINC000924535880 1030117151 /nfs/dbraw/zinc/11/71/51/1030117151.db2.gz YUEKLQVFIJZFFY-HNNXBMFYSA-N 2 2 309.413 3.786 20 0 DHADLP C[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)c2ccco2)CC1 ZINC000924576661 1030126964 /nfs/dbraw/zinc/12/69/64/1030126964.db2.gz VWRVHYWQISTEJP-QGZVFWFLSA-N 2 2 318.848 3.901 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ncco1 ZINC000924605873 1030136556 /nfs/dbraw/zinc/13/65/56/1030136556.db2.gz XPOUMAQXDSITRH-MRXNPFEDSA-N 2 2 313.445 3.757 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1coc2ccccc12 ZINC000924647026 1030149745 /nfs/dbraw/zinc/14/97/45/1030149745.db2.gz YCYPYVDOSLPIPO-AWEZNQCLSA-N 2 2 309.413 3.859 20 0 DHADLP CCc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)c2cccnc2)cc1 ZINC000924704724 1030166160 /nfs/dbraw/zinc/16/61/60/1030166160.db2.gz HSKZKNQMINLDIT-GHTZIAJQSA-N 2 2 323.484 3.665 20 0 DHADLP CCc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)c2cccnc2)cc1 ZINC000924704724 1030166169 /nfs/dbraw/zinc/16/61/69/1030166169.db2.gz HSKZKNQMINLDIT-GHTZIAJQSA-N 2 2 323.484 3.665 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000924733653 1030173538 /nfs/dbraw/zinc/17/35/38/1030173538.db2.gz UZJKPLAPSVYFBU-FQEVSTJZSA-N 2 2 320.440 3.746 20 0 DHADLP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000866238130 1030173673 /nfs/dbraw/zinc/17/36/73/1030173673.db2.gz MHMKGDYGSDFTDT-RDTXWAMCSA-N 2 2 301.409 3.716 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000924733654 1030173872 /nfs/dbraw/zinc/17/38/72/1030173872.db2.gz UZJKPLAPSVYFBU-HXUWFJFHSA-N 2 2 320.440 3.746 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924750257 1030178368 /nfs/dbraw/zinc/17/83/68/1030178368.db2.gz DQYOEIXFSUFLQI-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924750257 1030178374 /nfs/dbraw/zinc/17/83/74/1030178374.db2.gz DQYOEIXFSUFLQI-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000866262539 1030185006 /nfs/dbraw/zinc/18/50/06/1030185006.db2.gz BMHWBJLRVYADJM-OXQOHEQNSA-N 2 2 323.484 3.630 20 0 DHADLP C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000866262539 1030185018 /nfs/dbraw/zinc/18/50/18/1030185018.db2.gz BMHWBJLRVYADJM-OXQOHEQNSA-N 2 2 323.484 3.630 20 0 DHADLP C[C@H](CCc1cncc2ccccc21)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000866262540 1030185086 /nfs/dbraw/zinc/18/50/86/1030185086.db2.gz BMHWBJLRVYADJM-UZLBHIALSA-N 2 2 323.484 3.630 20 0 DHADLP C[C@H](CCc1cncc2ccccc21)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000866262540 1030185095 /nfs/dbraw/zinc/18/50/95/1030185095.db2.gz BMHWBJLRVYADJM-UZLBHIALSA-N 2 2 323.484 3.630 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000924846050 1030204183 /nfs/dbraw/zinc/20/41/83/1030204183.db2.gz KCLBXNODCCALJF-MRXNPFEDSA-N 2 2 307.869 3.576 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3csc(C)n3)o2)[C@@H](C)C1 ZINC000358015859 1030278119 /nfs/dbraw/zinc/27/81/19/1030278119.db2.gz FXMSOHBCLVWWST-SWLSCSKDSA-N 2 2 319.474 3.531 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3csc(C)n3)o2)[C@@H](C)C1 ZINC000358015859 1030278131 /nfs/dbraw/zinc/27/81/31/1030278131.db2.gz FXMSOHBCLVWWST-SWLSCSKDSA-N 2 2 319.474 3.531 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1csc(C(F)(F)F)c1 ZINC000925144591 1030283929 /nfs/dbraw/zinc/28/39/29/1030283929.db2.gz VAQPZPUFMSXKBH-SCVCMEIPSA-N 2 2 306.397 3.900 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1csc(C(F)(F)F)c1 ZINC000925144591 1030283944 /nfs/dbraw/zinc/28/39/44/1030283944.db2.gz VAQPZPUFMSXKBH-SCVCMEIPSA-N 2 2 306.397 3.900 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)c1ccccc1 ZINC000925177287 1030293038 /nfs/dbraw/zinc/29/30/38/1030293038.db2.gz BWHGEWVPNZQUQW-AITUJVMLSA-N 2 2 307.441 3.648 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000925306066 1030339939 /nfs/dbraw/zinc/33/99/39/1030339939.db2.gz FVETVOSWMKIHQV-OAHLLOKOSA-N 2 2 307.869 3.575 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925304644 1030340348 /nfs/dbraw/zinc/34/03/48/1030340348.db2.gz XEUSUTBIPLZJDQ-MRXNPFEDSA-N 2 2 307.869 3.575 20 0 DHADLP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246162581 1030344335 /nfs/dbraw/zinc/34/43/35/1030344335.db2.gz ITRNTPBONYCXMB-KZNAEPCWSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246162581 1030344343 /nfs/dbraw/zinc/34/43/43/1030344343.db2.gz ITRNTPBONYCXMB-KZNAEPCWSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1ccccn1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246162581 1030344360 /nfs/dbraw/zinc/34/43/60/1030344360.db2.gz ITRNTPBONYCXMB-KZNAEPCWSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1ccccn1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246162581 1030344373 /nfs/dbraw/zinc/34/43/73/1030344373.db2.gz ITRNTPBONYCXMB-KZNAEPCWSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(F)cc(F)c1 ZINC000823683952 1030364309 /nfs/dbraw/zinc/36/43/09/1030364309.db2.gz NAEOZFKXMQEROG-GUYCJALGSA-N 2 2 321.415 3.969 20 0 DHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925517932 1030382994 /nfs/dbraw/zinc/38/29/94/1030382994.db2.gz OVWKLUNTZGGFRT-UAOJZALGSA-N 2 2 310.441 3.751 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC[N@@H+]1C ZINC000866576490 1030384989 /nfs/dbraw/zinc/38/49/89/1030384989.db2.gz GJBWDLRIGHTOFY-CABZTGNLSA-N 2 2 305.224 3.705 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC[N@H+]1C ZINC000866576490 1030385007 /nfs/dbraw/zinc/38/50/07/1030385007.db2.gz GJBWDLRIGHTOFY-CABZTGNLSA-N 2 2 305.224 3.705 20 0 DHADLP CC1(C)C[C@@H]([NH2+][C@@H](c2nccs2)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925530351 1030388006 /nfs/dbraw/zinc/38/80/06/1030388006.db2.gz DRRXYVZBLNFKMK-OWCLPIDISA-N 2 2 315.486 3.728 20 0 DHADLP CC[NH+](CC)Cc1ccccc1-n1c(C)[nH+]c2ccc(N)cc21 ZINC001211994434 1030414497 /nfs/dbraw/zinc/41/44/97/1030414497.db2.gz ZANBOYRIYBANDF-UHFFFAOYSA-N 2 2 308.429 3.758 20 0 DHADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1cc(C)ccc1OC ZINC000358282009 1030418809 /nfs/dbraw/zinc/41/88/09/1030418809.db2.gz DVJOBUDDDCBDBJ-NJAFHUGGSA-N 2 2 304.478 3.773 20 0 DHADLP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)c1cc(C)ccc1OC ZINC000358282009 1030418820 /nfs/dbraw/zinc/41/88/20/1030418820.db2.gz DVJOBUDDDCBDBJ-NJAFHUGGSA-N 2 2 304.478 3.773 20 0 DHADLP COc1cc(Cl)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000533584405 1030444627 /nfs/dbraw/zinc/44/46/27/1030444627.db2.gz BCBNEBBELVHPQW-JQWIXIFHSA-N 2 2 317.260 3.574 20 0 DHADLP COc1cc(Cl)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000533584405 1030444638 /nfs/dbraw/zinc/44/46/38/1030444638.db2.gz BCBNEBBELVHPQW-JQWIXIFHSA-N 2 2 317.260 3.574 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1 ZINC000925691657 1030456341 /nfs/dbraw/zinc/45/63/41/1030456341.db2.gz JJFRVFHXXFSXDW-MTQWCTHYSA-N 2 2 316.489 3.605 20 0 DHADLP CC(C)C[C@@H](c1cccs1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749231 1030476750 /nfs/dbraw/zinc/47/67/50/1030476750.db2.gz VXNSGNWMQLMFLX-ZDUSSCGKSA-N 2 2 321.515 3.809 20 0 DHADLP CC(C)C[C@@H](c1cccs1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749231 1030476758 /nfs/dbraw/zinc/47/67/58/1030476758.db2.gz VXNSGNWMQLMFLX-ZDUSSCGKSA-N 2 2 321.515 3.809 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1Cl ZINC000925779091 1030491656 /nfs/dbraw/zinc/49/16/56/1030491656.db2.gz LJQYJUAFNQEUNB-ZJUUUORDSA-N 2 2 323.214 3.889 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(-c2ccccc2)o1 ZINC000925785637 1030495436 /nfs/dbraw/zinc/49/54/36/1030495436.db2.gz VCGRQZDMBSSEIW-HIFRSBDPSA-N 2 2 320.383 3.842 20 0 DHADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000925799569 1030500435 /nfs/dbraw/zinc/50/04/35/1030500435.db2.gz ZKIOHIDJFPMTAD-SJORKVTESA-N 2 2 322.880 3.539 20 0 DHADLP CCCC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925795329 1030500968 /nfs/dbraw/zinc/50/09/68/1030500968.db2.gz JZCMKUYMTLOUIF-MOPGFXCFSA-N 2 2 316.489 3.666 20 0 DHADLP C[C@@H]([NH3+])[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccccc1 ZINC000925840349 1030517477 /nfs/dbraw/zinc/51/74/77/1030517477.db2.gz VEZKYXLWTDBVRF-PILAGYSTSA-N 2 2 316.395 3.713 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000247331455 1030686812 /nfs/dbraw/zinc/68/68/12/1030686812.db2.gz MMDAFDHJYWODAZ-HLIPFELVSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000247331455 1030686818 /nfs/dbraw/zinc/68/68/18/1030686818.db2.gz MMDAFDHJYWODAZ-HLIPFELVSA-N 2 2 315.505 3.850 20 0 DHADLP CC(C)(C)OC1CC(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926287146 1030688326 /nfs/dbraw/zinc/68/83/26/1030688326.db2.gz SUYJPEJXWCCEDL-FOIPXRHGSA-N 2 2 308.510 3.577 20 0 DHADLP CC(C)(C)OC1CC(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926287146 1030688332 /nfs/dbraw/zinc/68/83/32/1030688332.db2.gz SUYJPEJXWCCEDL-FOIPXRHGSA-N 2 2 308.510 3.577 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccccc1 ZINC000248031204 1030716075 /nfs/dbraw/zinc/71/60/75/1030716075.db2.gz QLDFKHKIHTXEDE-GHTZIAJQSA-N 2 2 323.484 3.514 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccccc1 ZINC000248031204 1030716093 /nfs/dbraw/zinc/71/60/93/1030716093.db2.gz QLDFKHKIHTXEDE-GHTZIAJQSA-N 2 2 323.484 3.514 20 0 DHADLP CC(C)[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cn1 ZINC000359080775 1030766546 /nfs/dbraw/zinc/76/65/46/1030766546.db2.gz JQQLHBNZGGETFJ-LEOMRAHMSA-N 2 2 305.441 3.524 20 0 DHADLP C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359085315 1030769398 /nfs/dbraw/zinc/76/93/98/1030769398.db2.gz SHCGMIYKGLQSPJ-WBVHZDCISA-N 2 2 315.461 3.710 20 0 DHADLP Cc1cncc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248962171 1030781096 /nfs/dbraw/zinc/78/10/96/1030781096.db2.gz RFVHYPLXRCNBQD-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cncc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248962171 1030781099 /nfs/dbraw/zinc/78/10/99/1030781099.db2.gz RFVHYPLXRCNBQD-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cncc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248962171 1030781102 /nfs/dbraw/zinc/78/11/02/1030781102.db2.gz RFVHYPLXRCNBQD-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cncc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000248962171 1030781105 /nfs/dbraw/zinc/78/11/05/1030781105.db2.gz RFVHYPLXRCNBQD-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000359145682 1030800607 /nfs/dbraw/zinc/80/06/07/1030800607.db2.gz QNRRNOPUUKOIEB-DLBZAZTESA-N 2 2 319.474 3.617 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)[C@@H]1c1cccnc1 ZINC000926580380 1030807736 /nfs/dbraw/zinc/80/77/36/1030807736.db2.gz QKCRTCMOXKFHOR-MANSERQUSA-N 2 2 315.505 3.879 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]2C(C)(C)C)[C@@H]1c1cccnc1 ZINC000926580380 1030807754 /nfs/dbraw/zinc/80/77/54/1030807754.db2.gz QKCRTCMOXKFHOR-MANSERQUSA-N 2 2 315.505 3.879 20 0 DHADLP CC1CC[NH+](CC[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171089876 1030819983 /nfs/dbraw/zinc/81/99/83/1030819983.db2.gz DVEBQSCZFBZFFB-SFHVURJKSA-N 2 2 306.881 3.519 20 0 DHADLP c1cn(-c2csc(CNc3cc4c(c[nH+]3)CCCC4)c2)c[nH+]1 ZINC000359470265 1030981842 /nfs/dbraw/zinc/98/18/42/1030981842.db2.gz VESHHXSPMSKFOR-UHFFFAOYSA-N 2 2 310.426 3.820 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001171111118 1031004345 /nfs/dbraw/zinc/00/43/45/1031004345.db2.gz HNQDYFHVZCPCRL-KRWDZBQOSA-N 2 2 311.816 3.635 20 0 DHADLP CC(C)O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000292589068 1031086262 /nfs/dbraw/zinc/08/62/62/1031086262.db2.gz UYSOTYUEJLEGCU-XUVXKRRUSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000292589068 1031086268 /nfs/dbraw/zinc/08/62/68/1031086268.db2.gz UYSOTYUEJLEGCU-XUVXKRRUSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000292589068 1031086278 /nfs/dbraw/zinc/08/62/78/1031086278.db2.gz UYSOTYUEJLEGCU-XUVXKRRUSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000292589068 1031086286 /nfs/dbraw/zinc/08/62/86/1031086286.db2.gz UYSOTYUEJLEGCU-XUVXKRRUSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000292591821 1031087112 /nfs/dbraw/zinc/08/71/12/1031087112.db2.gz VEYYQYSREXBZHE-YTQUADARSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)O[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000292591821 1031087126 /nfs/dbraw/zinc/08/71/26/1031087126.db2.gz VEYYQYSREXBZHE-YTQUADARSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)O[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000292591821 1031087151 /nfs/dbraw/zinc/08/71/51/1031087151.db2.gz VEYYQYSREXBZHE-YTQUADARSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)O[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000292591821 1031087162 /nfs/dbraw/zinc/08/71/62/1031087162.db2.gz VEYYQYSREXBZHE-YTQUADARSA-N 2 2 304.478 3.567 20 0 DHADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262037123 1031092691 /nfs/dbraw/zinc/09/26/91/1031092691.db2.gz XWCJFMYTJSBAJD-ONGXEEELSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262037123 1031092705 /nfs/dbraw/zinc/09/27/05/1031092705.db2.gz XWCJFMYTJSBAJD-ONGXEEELSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H](CCC1CCCCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927111280 1031095827 /nfs/dbraw/zinc/09/58/27/1031095827.db2.gz ZDQRRKCBCXUUEE-LPHOPBHVSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@@H](CCC1CCCCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927111280 1031095843 /nfs/dbraw/zinc/09/58/43/1031095843.db2.gz ZDQRRKCBCXUUEE-LPHOPBHVSA-N 2 2 308.510 3.578 20 0 DHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C)o1 ZINC000123333954 1031097996 /nfs/dbraw/zinc/09/79/96/1031097996.db2.gz SWIJZSDSJYBTLN-HNNXBMFYSA-N 2 2 313.445 3.607 20 0 DHADLP Cc1c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1C(F)(F)F ZINC001143930712 1031106205 /nfs/dbraw/zinc/10/62/05/1031106205.db2.gz UTVKDOXLOKXCBO-MRXNPFEDSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cccc1C(F)(F)F ZINC001143930712 1031106209 /nfs/dbraw/zinc/10/62/09/1031106209.db2.gz UTVKDOXLOKXCBO-MRXNPFEDSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cccc1C(F)(F)F ZINC001143930712 1031106216 /nfs/dbraw/zinc/10/62/16/1031106216.db2.gz UTVKDOXLOKXCBO-MRXNPFEDSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cccc1C(F)(F)F ZINC001143930712 1031106226 /nfs/dbraw/zinc/10/62/26/1031106226.db2.gz UTVKDOXLOKXCBO-MRXNPFEDSA-N 2 2 312.379 3.541 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(Cl)cn1 ZINC000359713425 1031109025 /nfs/dbraw/zinc/10/90/25/1031109025.db2.gz ISIKBSSOTUQXME-OAHLLOKOSA-N 2 2 317.864 3.908 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cn1 ZINC000359713425 1031109030 /nfs/dbraw/zinc/10/90/30/1031109030.db2.gz ISIKBSSOTUQXME-OAHLLOKOSA-N 2 2 317.864 3.908 20 0 DHADLP CCc1onc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000927138470 1031111942 /nfs/dbraw/zinc/11/19/42/1031111942.db2.gz DXSIWTFUJGPVPU-YOEHRIQHSA-N 2 2 319.493 3.678 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Cl)cc2c1OCC2 ZINC000927139831 1031114830 /nfs/dbraw/zinc/11/48/30/1031114830.db2.gz LRSZNASTSKPBTG-GFCCVEGCSA-N 2 2 320.864 3.552 20 0 DHADLP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927160653 1031124795 /nfs/dbraw/zinc/12/47/95/1031124795.db2.gz DHJJLVXKOHSESD-YJBOKZPZSA-N 2 2 311.429 3.625 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)F)cc1 ZINC000359940586 1031208027 /nfs/dbraw/zinc/20/80/27/1031208027.db2.gz IDWLPLPACNDXDG-YESZJQIVSA-N 2 2 324.415 3.956 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OC(F)F)cc1 ZINC000359940586 1031208044 /nfs/dbraw/zinc/20/80/44/1031208044.db2.gz IDWLPLPACNDXDG-YESZJQIVSA-N 2 2 324.415 3.956 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n2c1CCCC2 ZINC000282059744 1031213125 /nfs/dbraw/zinc/21/31/25/1031213125.db2.gz MNUCGJYPXDXTRY-GOSISDBHSA-N 2 2 309.457 3.642 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@H+](CCc3ccccc3)C2)n2c1CCCC2 ZINC000282059744 1031213143 /nfs/dbraw/zinc/21/31/43/1031213143.db2.gz MNUCGJYPXDXTRY-GOSISDBHSA-N 2 2 309.457 3.642 20 0 DHADLP Clc1cc2c(cc1Cl)C[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC001171133922 1031233829 /nfs/dbraw/zinc/23/38/29/1031233829.db2.gz RFWCMGFTFHUMMC-CQSZACIVSA-N 2 2 324.255 3.727 20 0 DHADLP CC[C@H](C[NH2+][C@@H]1CCCc2ccc(OC)cc21)[NH+]1CCCC1 ZINC000360065031 1031261147 /nfs/dbraw/zinc/26/11/47/1031261147.db2.gz YAMNFFAFBXTTDQ-VQIMIIECSA-N 2 2 302.462 3.537 20 0 DHADLP C[NH2+]CC[C@@H](C)[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001246548795 1031355197 /nfs/dbraw/zinc/35/51/97/1031355197.db2.gz HNBKWXGCIMRCQK-DOMZBBRYSA-N 2 2 311.267 3.584 20 0 DHADLP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001246548795 1031355213 /nfs/dbraw/zinc/35/52/13/1031355213.db2.gz HNBKWXGCIMRCQK-DOMZBBRYSA-N 2 2 311.267 3.584 20 0 DHADLP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000536841891 1031451301 /nfs/dbraw/zinc/45/13/01/1031451301.db2.gz ZGNCYEBYPXWHOL-MDZRGWNJSA-N 2 2 301.478 3.775 20 0 DHADLP CCc1cccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001144322947 1031465249 /nfs/dbraw/zinc/46/52/49/1031465249.db2.gz JRHBMZKXARLSJA-BGYRXZFFSA-N 2 2 324.468 3.796 20 0 DHADLP CCc1cccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001144322947 1031465260 /nfs/dbraw/zinc/46/52/60/1031465260.db2.gz JRHBMZKXARLSJA-BGYRXZFFSA-N 2 2 324.468 3.796 20 0 DHADLP CCc1cccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)c1 ZINC001144322947 1031465272 /nfs/dbraw/zinc/46/52/72/1031465272.db2.gz JRHBMZKXARLSJA-BGYRXZFFSA-N 2 2 324.468 3.796 20 0 DHADLP CCc1cccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)c1 ZINC001144322947 1031465280 /nfs/dbraw/zinc/46/52/80/1031465280.db2.gz JRHBMZKXARLSJA-BGYRXZFFSA-N 2 2 324.468 3.796 20 0 DHADLP Cc1cc([C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C2CC2)ccc1F ZINC000537015657 1031489378 /nfs/dbraw/zinc/48/93/78/1031489378.db2.gz HJMLGEKWEFPWBR-ZWKOTPCHSA-N 2 2 322.493 3.612 20 0 DHADLP Cc1cc(C)nc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000929753744 1031596838 /nfs/dbraw/zinc/59/68/38/1031596838.db2.gz FFSCRHOUQREYGO-HXUWFJFHSA-N 2 2 323.484 3.652 20 0 DHADLP Cc1cc(C)nc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000929753744 1031596843 /nfs/dbraw/zinc/59/68/43/1031596843.db2.gz FFSCRHOUQREYGO-HXUWFJFHSA-N 2 2 323.484 3.652 20 0 DHADLP Cc1cc(C)nc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000929753744 1031596845 /nfs/dbraw/zinc/59/68/45/1031596845.db2.gz FFSCRHOUQREYGO-HXUWFJFHSA-N 2 2 323.484 3.652 20 0 DHADLP Cc1cc(C)nc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000929753744 1031596846 /nfs/dbraw/zinc/59/68/46/1031596846.db2.gz FFSCRHOUQREYGO-HXUWFJFHSA-N 2 2 323.484 3.652 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]2[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000777843493 1031636867 /nfs/dbraw/zinc/63/68/67/1031636867.db2.gz TZMJTMCWYPIZFT-BBRMVZONSA-N 2 2 301.821 3.930 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]2[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000777843493 1031636873 /nfs/dbraw/zinc/63/68/73/1031636873.db2.gz TZMJTMCWYPIZFT-BBRMVZONSA-N 2 2 301.821 3.930 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)ccc1F ZINC000293859714 1031660295 /nfs/dbraw/zinc/66/02/95/1031660295.db2.gz IGNLIWWNOJJMOL-UHFFFAOYSA-N 2 2 319.424 3.505 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)ccc1F ZINC000293859714 1031660300 /nfs/dbraw/zinc/66/03/00/1031660300.db2.gz IGNLIWWNOJJMOL-UHFFFAOYSA-N 2 2 319.424 3.505 20 0 DHADLP CCSc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929992016 1031669429 /nfs/dbraw/zinc/66/94/29/1031669429.db2.gz LYRDVGCAHZQPKH-OAHLLOKOSA-N 2 2 301.459 3.901 20 0 DHADLP CCSc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929992016 1031669435 /nfs/dbraw/zinc/66/94/35/1031669435.db2.gz LYRDVGCAHZQPKH-OAHLLOKOSA-N 2 2 301.459 3.901 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000930056211 1031688739 /nfs/dbraw/zinc/68/87/39/1031688739.db2.gz WLVGQFBXJFINOH-QAPCUYQASA-N 2 2 322.412 3.621 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000930056211 1031688745 /nfs/dbraw/zinc/68/87/45/1031688745.db2.gz WLVGQFBXJFINOH-QAPCUYQASA-N 2 2 322.412 3.621 20 0 DHADLP CC(C)(C)c1cnc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223920 1031763874 /nfs/dbraw/zinc/76/38/74/1031763874.db2.gz ULFOOJAHKMPESA-QGZVFWFLSA-N 2 2 309.523 3.638 20 0 DHADLP CC(C)(C)c1cnc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223920 1031763889 /nfs/dbraw/zinc/76/38/89/1031763889.db2.gz ULFOOJAHKMPESA-QGZVFWFLSA-N 2 2 309.523 3.638 20 0 DHADLP CCSc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897980641 1031908832 /nfs/dbraw/zinc/90/88/32/1031908832.db2.gz AZOUIPAPIUJZNQ-UHFFFAOYSA-N 2 2 304.503 3.905 20 0 DHADLP Cc1cc(C)cc(OCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000361399828 1031909654 /nfs/dbraw/zinc/90/96/54/1031909654.db2.gz JLIZYZPCSJXBOX-UHFFFAOYSA-N 2 2 313.445 3.675 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(F)cc1 ZINC000361650370 1032035260 /nfs/dbraw/zinc/03/52/60/1032035260.db2.gz AJROZNHTKRNIHC-WBVHZDCISA-N 2 2 301.409 3.949 20 0 DHADLP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000361654347 1032039881 /nfs/dbraw/zinc/03/98/81/1032039881.db2.gz KTKOEKIJJSVNOT-JKSUJKDBSA-N 2 2 313.445 3.818 20 0 DHADLP COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)c1 ZINC000361667967 1032044694 /nfs/dbraw/zinc/04/46/94/1032044694.db2.gz UXUBJAPQQNBPRJ-QGZVFWFLSA-N 2 2 313.445 3.680 20 0 DHADLP COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)c1 ZINC000361667967 1032044703 /nfs/dbraw/zinc/04/47/03/1032044703.db2.gz UXUBJAPQQNBPRJ-QGZVFWFLSA-N 2 2 313.445 3.680 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1cccc(OC)c1 ZINC000361665793 1032045781 /nfs/dbraw/zinc/04/57/81/1032045781.db2.gz ZJSNTKBGEKVYEN-SJLPKXTDSA-N 2 2 313.445 3.818 20 0 DHADLP CSC(C)(C)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000877498420 1033323954 /nfs/dbraw/zinc/32/39/54/1033323954.db2.gz PJEAZSCCBLNCBT-OAHLLOKOSA-N 2 2 321.534 3.931 20 0 DHADLP CSC(C)(C)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000877498420 1033323970 /nfs/dbraw/zinc/32/39/70/1033323970.db2.gz PJEAZSCCBLNCBT-OAHLLOKOSA-N 2 2 321.534 3.931 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1c(F)cccc1Cl ZINC001172836436 1033399615 /nfs/dbraw/zinc/39/96/15/1033399615.db2.gz DLIIDFFOKXENCN-CYBMUJFWSA-N 2 2 300.849 3.732 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1c(F)cccc1Cl ZINC001172836436 1033399628 /nfs/dbraw/zinc/39/96/28/1033399628.db2.gz DLIIDFFOKXENCN-CYBMUJFWSA-N 2 2 300.849 3.732 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([N@H+](C(C)C)C1CC[NH+](C)CC1)CC2 ZINC001172840142 1033409025 /nfs/dbraw/zinc/40/90/25/1033409025.db2.gz XGUZCOULSNBHDG-FQEVSTJZSA-N 2 2 300.490 3.657 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([N@@H+](C(C)C)C1CC[NH+](C)CC1)CC2 ZINC001172840142 1033409035 /nfs/dbraw/zinc/40/90/35/1033409035.db2.gz XGUZCOULSNBHDG-FQEVSTJZSA-N 2 2 300.490 3.657 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](C3CCC3)CC2)s1 ZINC000877703417 1033419265 /nfs/dbraw/zinc/41/92/65/1033419265.db2.gz IHQCMDUIEVQHBY-HNNXBMFYSA-N 2 2 307.507 3.607 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](C3CCC3)CC2)s1 ZINC000877703417 1033419272 /nfs/dbraw/zinc/41/92/72/1033419272.db2.gz IHQCMDUIEVQHBY-HNNXBMFYSA-N 2 2 307.507 3.607 20 0 DHADLP CC[N@H+]([C@H](C)Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC001172852625 1033421292 /nfs/dbraw/zinc/42/12/92/1033421292.db2.gz HFGOWKQBWMFRRP-CYBMUJFWSA-N 2 2 312.860 3.826 20 0 DHADLP CC[N@@H+]([C@H](C)Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC001172852625 1033421295 /nfs/dbraw/zinc/42/12/95/1033421295.db2.gz HFGOWKQBWMFRRP-CYBMUJFWSA-N 2 2 312.860 3.826 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172863400 1033431486 /nfs/dbraw/zinc/43/14/86/1033431486.db2.gz NZPJFHZUTJOYLL-ZDUSSCGKSA-N 2 2 300.849 3.732 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172863400 1033431498 /nfs/dbraw/zinc/43/14/98/1033431498.db2.gz NZPJFHZUTJOYLL-ZDUSSCGKSA-N 2 2 300.849 3.732 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001172863399 1033432818 /nfs/dbraw/zinc/43/28/18/1033432818.db2.gz NZPJFHZUTJOYLL-CYBMUJFWSA-N 2 2 300.849 3.732 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC001172863399 1033432825 /nfs/dbraw/zinc/43/28/25/1033432825.db2.gz NZPJFHZUTJOYLL-CYBMUJFWSA-N 2 2 300.849 3.732 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001172863776 1033433194 /nfs/dbraw/zinc/43/31/94/1033433194.db2.gz KLJJTJJLOLSKLG-CQSZACIVSA-N 2 2 324.871 3.970 20 0 DHADLP CCC[NH+]1C[C@@H]2C[NH+]([C@H](C)Cc3c(F)cccc3Cl)C[C@H]2C1 ZINC001172861038 1033433333 /nfs/dbraw/zinc/43/33/33/1033433333.db2.gz IRPGUAPICAQTMJ-RBSFLKMASA-N 2 2 324.871 3.684 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172873112 1033445585 /nfs/dbraw/zinc/44/55/85/1033445585.db2.gz GBECKGAQNRECHR-UONOGXRCSA-N 2 2 312.910 3.895 20 0 DHADLP COCc1cccc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000877795068 1033453075 /nfs/dbraw/zinc/45/30/75/1033453075.db2.gz XZOQRGQWXHFGNU-UHFFFAOYSA-N 2 2 316.489 3.673 20 0 DHADLP c1cn(Cc2ccc(Nc3cc[nH+]c(N4CCCC4)c3)cc2)c[nH+]1 ZINC001212693980 1033488056 /nfs/dbraw/zinc/48/80/56/1033488056.db2.gz CLSPMPYYGGTYPU-UHFFFAOYSA-N 2 2 319.412 3.670 20 0 DHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC[C@@H]1F ZINC001206189571 1033524406 /nfs/dbraw/zinc/52/44/06/1033524406.db2.gz XLCKYNJBJQQYDB-QWHCGFSZSA-N 2 2 324.749 3.620 20 0 DHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC[C@@H]1F ZINC001206189571 1033524410 /nfs/dbraw/zinc/52/44/10/1033524410.db2.gz XLCKYNJBJQQYDB-QWHCGFSZSA-N 2 2 324.749 3.620 20 0 DHADLP COc1ccc2oc([C@@H](C)[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)c(C)c2c1 ZINC000153634321 1033586052 /nfs/dbraw/zinc/58/60/52/1033586052.db2.gz USTPBUBDAZHBRQ-YUELXQCFSA-N 2 2 316.445 3.883 20 0 DHADLP COc1ccc2oc([C@@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c(C)c2c1 ZINC000153634321 1033586055 /nfs/dbraw/zinc/58/60/55/1033586055.db2.gz USTPBUBDAZHBRQ-YUELXQCFSA-N 2 2 316.445 3.883 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)C1CCC(Oc2ccccc2)CC1 ZINC001173205439 1033611078 /nfs/dbraw/zinc/61/10/78/1033611078.db2.gz IIAIHPPZHBMJLF-UHFFFAOYSA-N 2 2 313.445 3.595 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC(Oc2ccccc2)CC1 ZINC001173205439 1033611085 /nfs/dbraw/zinc/61/10/85/1033611085.db2.gz IIAIHPPZHBMJLF-UHFFFAOYSA-N 2 2 313.445 3.595 20 0 DHADLP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC001173265363 1033635697 /nfs/dbraw/zinc/63/56/97/1033635697.db2.gz SRKYMXHHJOQUBX-VQIMIIECSA-N 2 2 316.489 3.828 20 0 DHADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001173344583 1033699547 /nfs/dbraw/zinc/69/95/47/1033699547.db2.gz WCPASKCMNRWNLO-IBGZPJMESA-N 2 2 322.537 3.922 20 0 DHADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001173344583 1033699550 /nfs/dbraw/zinc/69/95/50/1033699550.db2.gz WCPASKCMNRWNLO-IBGZPJMESA-N 2 2 322.537 3.922 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000879203809 1033950339 /nfs/dbraw/zinc/95/03/39/1033950339.db2.gz WPRDKJHXFUAPCI-ZDUSSCGKSA-N 2 2 305.293 3.521 20 0 DHADLP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000177172297 1034137814 /nfs/dbraw/zinc/13/78/14/1034137814.db2.gz ITRNTPBONYCXMB-BZSNNMDCSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000177172297 1034137819 /nfs/dbraw/zinc/13/78/19/1034137819.db2.gz ITRNTPBONYCXMB-BZSNNMDCSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1ccccn1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000177172297 1034137826 /nfs/dbraw/zinc/13/78/26/1034137826.db2.gz ITRNTPBONYCXMB-BZSNNMDCSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1ccccn1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000177172297 1034137831 /nfs/dbraw/zinc/13/78/31/1034137831.db2.gz ITRNTPBONYCXMB-BZSNNMDCSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(Cl)c2cccnc12)Cn1cc[nH+]c1 ZINC000177750011 1034180580 /nfs/dbraw/zinc/18/05/80/1034180580.db2.gz PUWIREHLETYGOP-ZDUSSCGKSA-N 2 2 314.820 3.511 20 0 DHADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207939 1034248403 /nfs/dbraw/zinc/24/84/03/1034248403.db2.gz CRTDNDOEGMJGQK-HXUWFJFHSA-N 2 2 324.468 3.573 20 0 DHADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207939 1034248417 /nfs/dbraw/zinc/24/84/17/1034248417.db2.gz CRTDNDOEGMJGQK-HXUWFJFHSA-N 2 2 324.468 3.573 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OCC2CC2)c(F)c1 ZINC000179676507 1034325406 /nfs/dbraw/zinc/32/54/06/1034325406.db2.gz BSZZPTSWDVLIBC-AWEZNQCLSA-N 2 2 317.408 3.552 20 0 DHADLP CO[C@H](C[NH+]1CCC(C)([NH+]2CCC2)CC1)c1ccc(Cl)cc1 ZINC000880474227 1034344627 /nfs/dbraw/zinc/34/46/27/1034344627.db2.gz VIFSQEPZNFWGGP-QGZVFWFLSA-N 2 2 322.880 3.588 20 0 DHADLP CO[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC000880569483 1034362313 /nfs/dbraw/zinc/36/23/13/1034362313.db2.gz LXMJYNAUJISLRN-PMACEKPBSA-N 2 2 321.424 3.602 20 0 DHADLP FC(F)(F)CCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569629 1034364539 /nfs/dbraw/zinc/36/45/39/1034364539.db2.gz NAZAZOJPBLRPPH-HNNXBMFYSA-N 2 2 311.351 3.947 20 0 DHADLP Clc1ccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000185794567 1034572742 /nfs/dbraw/zinc/57/27/42/1034572742.db2.gz YTURLBRTMCLLFH-UHFFFAOYSA-N 2 2 303.837 3.806 20 0 DHADLP CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000481434136 1034832322 /nfs/dbraw/zinc/83/23/22/1034832322.db2.gz KFHOLDNHDMVEAZ-OAHLLOKOSA-N 2 2 302.462 3.753 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc(C2CCC2)c[nH+]1 ZINC000555636043 1034846904 /nfs/dbraw/zinc/84/69/04/1034846904.db2.gz LNEVYKKBRBRBAD-UHFFFAOYSA-N 2 2 319.412 3.850 20 0 DHADLP Cn1c[nH+]c2cc(NC3=CC[N@H+](Cc4ccccc4)CC3)ccc21 ZINC001175506391 1035017620 /nfs/dbraw/zinc/01/76/20/1035017620.db2.gz XKPGHSPOKAFNOW-UHFFFAOYSA-N 2 2 318.424 3.775 20 0 DHADLP Cn1c[nH+]c2cc(NC3=CC[N@@H+](Cc4ccccc4)CC3)ccc21 ZINC001175506391 1035017629 /nfs/dbraw/zinc/01/76/29/1035017629.db2.gz XKPGHSPOKAFNOW-UHFFFAOYSA-N 2 2 318.424 3.775 20 0 DHADLP CC(C)(C)[C@@H]1CSCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001175698210 1035068866 /nfs/dbraw/zinc/06/88/66/1035068866.db2.gz MJUVWEUPKDELHJ-KRWDZBQOSA-N 2 2 315.486 3.836 20 0 DHADLP CC(C)(C)[C@@H]1CSCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001175698210 1035068876 /nfs/dbraw/zinc/06/88/76/1035068876.db2.gz MJUVWEUPKDELHJ-KRWDZBQOSA-N 2 2 315.486 3.836 20 0 DHADLP CCC[NH+](CCC)CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000482271596 1035075380 /nfs/dbraw/zinc/07/53/80/1035075380.db2.gz UCZFRZCGTCWARO-UHFFFAOYSA-N 3 2 323.569 3.885 20 0 DHADLP COc1cc[nH+]cc1Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001176124852 1035210506 /nfs/dbraw/zinc/21/05/06/1035210506.db2.gz SMWRRSYNXOEFFD-UHFFFAOYSA-N 2 2 311.429 3.862 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668199981 1035222546 /nfs/dbraw/zinc/22/25/46/1035222546.db2.gz JFSWHFDAPCAVCC-WWGRRREGSA-N 2 2 301.821 3.804 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000483728090 1035296416 /nfs/dbraw/zinc/29/64/16/1035296416.db2.gz NMJPNCUYMQNHFH-GMXVVIOVSA-N 2 2 316.367 3.560 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000483728090 1035296419 /nfs/dbraw/zinc/29/64/19/1035296419.db2.gz NMJPNCUYMQNHFH-GMXVVIOVSA-N 2 2 316.367 3.560 20 0 DHADLP CO[C@@H](CC(C)C)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176992135 1035341620 /nfs/dbraw/zinc/34/16/20/1035341620.db2.gz YACLUJJBOXXMBZ-SJORKVTESA-N 2 2 321.509 3.879 20 0 DHADLP CO[C@@H](CC(C)C)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176992135 1035341624 /nfs/dbraw/zinc/34/16/24/1035341624.db2.gz YACLUJJBOXXMBZ-SJORKVTESA-N 2 2 321.509 3.879 20 0 DHADLP CC(C)Oc1cc(Cl)c(C[NH2+]CCC[NH+](C)C)cc1Cl ZINC001177082088 1035345173 /nfs/dbraw/zinc/34/51/73/1035345173.db2.gz WBTSDBRXWWBTAX-UHFFFAOYSA-N 2 2 319.276 3.822 20 0 DHADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC000484498042 1035346286 /nfs/dbraw/zinc/34/62/86/1035346286.db2.gz GQPVICPIBBQHCT-WMZOPIPTSA-N 2 2 306.519 3.700 20 0 DHADLP Cc1cccc(C[NH2+]CCC[N@@H+](C)C(C)C)c1Br ZINC001177231495 1035358011 /nfs/dbraw/zinc/35/80/11/1035358011.db2.gz RVIOVOCSOVTUBP-UHFFFAOYSA-N 2 2 313.283 3.577 20 0 DHADLP Cc1cccc(C[NH2+]CCC[N@H+](C)C(C)C)c1Br ZINC001177231495 1035358019 /nfs/dbraw/zinc/35/80/19/1035358019.db2.gz RVIOVOCSOVTUBP-UHFFFAOYSA-N 2 2 313.283 3.577 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(OCCC(C)C)c1 ZINC000484643383 1035382365 /nfs/dbraw/zinc/38/23/65/1035382365.db2.gz SXIYCZMYGBNOLS-IEBWSBKVSA-N 2 2 318.505 3.992 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OCCC(C)C)c1 ZINC000484643383 1035382367 /nfs/dbraw/zinc/38/23/67/1035382367.db2.gz SXIYCZMYGBNOLS-IEBWSBKVSA-N 2 2 318.505 3.992 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OCCC(C)C)c1 ZINC000484643387 1035382645 /nfs/dbraw/zinc/38/26/45/1035382645.db2.gz SXIYCZMYGBNOLS-PKOBYXMFSA-N 2 2 318.505 3.992 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCCC(C)C)c1 ZINC000484643387 1035382650 /nfs/dbraw/zinc/38/26/50/1035382650.db2.gz SXIYCZMYGBNOLS-PKOBYXMFSA-N 2 2 318.505 3.992 20 0 DHADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC001177924516 1035399792 /nfs/dbraw/zinc/39/97/92/1035399792.db2.gz KOAIPQWEIAIYSY-XLIONFOSSA-N 2 2 312.501 3.668 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(CC(C)C)nc2)C[C@H]1C ZINC001179898513 1035522129 /nfs/dbraw/zinc/52/21/29/1035522129.db2.gz OYGURDTYUXMQSA-APWZRJJASA-N 2 2 303.494 3.585 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CC(C)C)nc2)C[C@H]1C ZINC001179898513 1035522134 /nfs/dbraw/zinc/52/21/34/1035522134.db2.gz OYGURDTYUXMQSA-APWZRJJASA-N 2 2 303.494 3.585 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CC(C)C)nc2)C[C@H]1C ZINC001179898513 1035522138 /nfs/dbraw/zinc/52/21/38/1035522138.db2.gz OYGURDTYUXMQSA-APWZRJJASA-N 2 2 303.494 3.585 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CC(C)C)nc2)C[C@H]1C ZINC001179898513 1035522143 /nfs/dbraw/zinc/52/21/43/1035522143.db2.gz OYGURDTYUXMQSA-APWZRJJASA-N 2 2 303.494 3.585 20 0 DHADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001192974836 1035531237 /nfs/dbraw/zinc/53/12/37/1035531237.db2.gz AUVBTFWWUAGNQB-UXHICEINSA-N 2 2 318.505 3.650 20 0 DHADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001192974836 1035531249 /nfs/dbraw/zinc/53/12/49/1035531249.db2.gz AUVBTFWWUAGNQB-UXHICEINSA-N 2 2 318.505 3.650 20 0 DHADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001192974836 1035531260 /nfs/dbraw/zinc/53/12/60/1035531260.db2.gz AUVBTFWWUAGNQB-UXHICEINSA-N 2 2 318.505 3.650 20 0 DHADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001192974836 1035531272 /nfs/dbraw/zinc/53/12/72/1035531272.db2.gz AUVBTFWWUAGNQB-UXHICEINSA-N 2 2 318.505 3.650 20 0 DHADLP Cc1cccc2c1[nH+]cc(C)c2N1CCN(c2cccc[nH+]2)CC1 ZINC000462442736 1035794863 /nfs/dbraw/zinc/79/48/63/1035794863.db2.gz WBTUDTTXWVAPLM-UHFFFAOYSA-N 2 2 318.424 3.573 20 0 DHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000193970779 1035957202 /nfs/dbraw/zinc/95/72/02/1035957202.db2.gz QZNDIGAHHMYCFZ-ZDUSSCGKSA-N 2 2 311.351 3.513 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194418614 1036009959 /nfs/dbraw/zinc/00/99/59/1036009959.db2.gz IGFGCXYQTQVONS-AWEZNQCLSA-N 2 2 319.474 3.567 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194418614 1036009982 /nfs/dbraw/zinc/00/99/82/1036009982.db2.gz IGFGCXYQTQVONS-AWEZNQCLSA-N 2 2 319.474 3.567 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194418614 1036010001 /nfs/dbraw/zinc/01/00/01/1036010001.db2.gz IGFGCXYQTQVONS-AWEZNQCLSA-N 2 2 319.474 3.567 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194418614 1036010020 /nfs/dbraw/zinc/01/00/20/1036010020.db2.gz IGFGCXYQTQVONS-AWEZNQCLSA-N 2 2 319.474 3.567 20 0 DHADLP C[N@@H+]1CC[C@@H](Nc2cc[nH+]c3ccsc32)[C@H]1c1ccccc1 ZINC000485976199 1036065686 /nfs/dbraw/zinc/06/56/86/1036065686.db2.gz KDSUVKFEZOTRDY-RHSMWYFYSA-N 2 2 309.438 3.576 20 0 DHADLP C[N@H+]1CC[C@@H](Nc2cc[nH+]c3ccsc32)[C@H]1c1ccccc1 ZINC000485976199 1036065716 /nfs/dbraw/zinc/06/57/16/1036065716.db2.gz KDSUVKFEZOTRDY-RHSMWYFYSA-N 2 2 309.438 3.576 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001203803710 1036131601 /nfs/dbraw/zinc/13/16/01/1036131601.db2.gz VMZUDLVQXACLOH-INIZCTEOSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001203803710 1036131629 /nfs/dbraw/zinc/13/16/29/1036131629.db2.gz VMZUDLVQXACLOH-INIZCTEOSA-N 2 2 302.805 3.697 20 0 DHADLP C(=C\c1ccncc1)\C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000494944438 1036132989 /nfs/dbraw/zinc/13/29/89/1036132989.db2.gz BJIUNEPZEYRUGU-MWGFUINXSA-N 2 2 313.489 3.683 20 0 DHADLP C(=C\c1ccncc1)\C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000494944438 1036132998 /nfs/dbraw/zinc/13/29/98/1036132998.db2.gz BJIUNEPZEYRUGU-MWGFUINXSA-N 2 2 313.489 3.683 20 0 DHADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCC3(C)C)[nH+]c2)CC1 ZINC000540787528 1036153448 /nfs/dbraw/zinc/15/34/48/1036153448.db2.gz QITBITFWXOYMOR-KRWDZBQOSA-N 2 2 316.493 3.603 20 0 DHADLP Cc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)c(Br)c1 ZINC000229187050 1036241697 /nfs/dbraw/zinc/24/16/97/1036241697.db2.gz WLFHJRPXAQBLNG-UHFFFAOYSA-N 2 2 313.283 3.577 20 0 DHADLP Cc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)c(Br)c1 ZINC000229187050 1036241717 /nfs/dbraw/zinc/24/17/17/1036241717.db2.gz WLFHJRPXAQBLNG-UHFFFAOYSA-N 2 2 313.283 3.577 20 0 DHADLP Fc1ccc(CCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC001182634770 1036404386 /nfs/dbraw/zinc/40/43/86/1036404386.db2.gz OSJFTLSGNSXYFS-MSOLQXFVSA-N 2 2 308.416 3.504 20 0 DHADLP Fc1ccc(CCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC001182634770 1036404395 /nfs/dbraw/zinc/40/43/95/1036404395.db2.gz OSJFTLSGNSXYFS-MSOLQXFVSA-N 2 2 308.416 3.504 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001182919157 1036472863 /nfs/dbraw/zinc/47/28/63/1036472863.db2.gz VSQIMLZUWIJRPB-YJBOKZPZSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001182919157 1036472880 /nfs/dbraw/zinc/47/28/80/1036472880.db2.gz VSQIMLZUWIJRPB-YJBOKZPZSA-N 2 2 304.453 3.753 20 0 DHADLP CC[C@H]1CCCC[C@@H]1C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC001183179256 1036533354 /nfs/dbraw/zinc/53/33/54/1036533354.db2.gz CVJRIQXIDGVLCU-RBUKOAKNSA-N 2 2 322.537 3.780 20 0 DHADLP CCSc1cccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000491472634 1036583963 /nfs/dbraw/zinc/58/39/63/1036583963.db2.gz WKGGNNDVWAFIOU-UHFFFAOYSA-N 2 2 321.515 3.607 20 0 DHADLP CCSc1cccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC001183501553 1036611873 /nfs/dbraw/zinc/61/18/73/1036611873.db2.gz YKNQXXPOXNSTMP-UHFFFAOYSA-N 2 2 304.503 3.859 20 0 DHADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001184195745 1036781599 /nfs/dbraw/zinc/78/15/99/1036781599.db2.gz AFOGOBPHMCEAPH-UHFFFAOYSA-N 2 2 320.374 3.864 20 0 DHADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001184195745 1036781620 /nfs/dbraw/zinc/78/16/20/1036781620.db2.gz AFOGOBPHMCEAPH-UHFFFAOYSA-N 2 2 320.374 3.864 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC001184373921 1036825444 /nfs/dbraw/zinc/82/54/44/1036825444.db2.gz GAXIQLRSHNTIRJ-GJZGRUSLSA-N 2 2 307.507 3.571 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC001184373921 1036825457 /nfs/dbraw/zinc/82/54/57/1036825457.db2.gz GAXIQLRSHNTIRJ-GJZGRUSLSA-N 2 2 307.507 3.571 20 0 DHADLP c1cc(-c2ncc(C[NH2+]C3CC[NH+](C4CC4)CC3)s2)cs1 ZINC000084650991 1036946880 /nfs/dbraw/zinc/94/68/80/1036946880.db2.gz QNZAQYDVHUEBIA-UHFFFAOYSA-N 2 2 319.499 3.588 20 0 DHADLP Fc1ccc2cc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)[nH]c2c1 ZINC000488314030 1036960926 /nfs/dbraw/zinc/96/09/26/1036960926.db2.gz NXQHOCHGMARLQL-CQSZACIVSA-N 2 2 324.403 3.636 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C(F)(F)F)C1 ZINC000176283245 1037131627 /nfs/dbraw/zinc/13/16/27/1037131627.db2.gz HYDLPZAPJCYEFN-CQSZACIVSA-N 2 2 314.395 3.869 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C(F)(F)F)C1 ZINC000176283245 1037131636 /nfs/dbraw/zinc/13/16/36/1037131636.db2.gz HYDLPZAPJCYEFN-CQSZACIVSA-N 2 2 314.395 3.869 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000176283245 1037131643 /nfs/dbraw/zinc/13/16/43/1037131643.db2.gz HYDLPZAPJCYEFN-CQSZACIVSA-N 2 2 314.395 3.869 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000176283245 1037131652 /nfs/dbraw/zinc/13/16/52/1037131652.db2.gz HYDLPZAPJCYEFN-CQSZACIVSA-N 2 2 314.395 3.869 20 0 DHADLP CCO[C@@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001198791817 1037134141 /nfs/dbraw/zinc/13/41/41/1037134141.db2.gz ZQORLNGGYHDPNH-AEFFLSMTSA-N 2 2 319.493 3.633 20 0 DHADLP CCO[C@@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001198791817 1037134150 /nfs/dbraw/zinc/13/41/50/1037134150.db2.gz ZQORLNGGYHDPNH-AEFFLSMTSA-N 2 2 319.493 3.633 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)CC[N@@H+]1C ZINC000310105637 1037210458 /nfs/dbraw/zinc/21/04/58/1037210458.db2.gz PCCXCWJHECPRMF-FXAWDEMLSA-N 2 2 324.468 3.838 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)CC[N@H+]1C ZINC000310105637 1037210460 /nfs/dbraw/zinc/21/04/60/1037210460.db2.gz PCCXCWJHECPRMF-FXAWDEMLSA-N 2 2 324.468 3.838 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000311729900 1037309306 /nfs/dbraw/zinc/30/93/06/1037309306.db2.gz OFNYHQKDVKYLMD-HOCLYGCPSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000311729900 1037309331 /nfs/dbraw/zinc/30/93/31/1037309331.db2.gz OFNYHQKDVKYLMD-HOCLYGCPSA-N 2 2 323.278 3.510 20 0 DHADLP CCOc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC001199924916 1037372649 /nfs/dbraw/zinc/37/26/49/1037372649.db2.gz KIGSJIMMTSXFJV-UHFFFAOYSA-N 2 2 320.477 3.813 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000670268383 1037491260 /nfs/dbraw/zinc/49/12/60/1037491260.db2.gz ZTOQKACTJQJZJS-HZPDHXFCSA-N 2 2 303.494 3.879 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(Cl)c1Cl ZINC001205913016 1037571483 /nfs/dbraw/zinc/57/14/83/1037571483.db2.gz GBWUODFMFNFKRL-NWDGAFQWSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(Cl)c1Cl ZINC001205913016 1037571489 /nfs/dbraw/zinc/57/14/89/1037571489.db2.gz GBWUODFMFNFKRL-NWDGAFQWSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1cc(NC[C@@H]2c3ccccc3C[N@H+]2C)nc(C2CCC2)[nH+]1 ZINC001187361822 1037620650 /nfs/dbraw/zinc/62/06/50/1037620650.db2.gz QJNIRTHSLKKUFF-QGZVFWFLSA-N 2 2 308.429 3.651 20 0 DHADLP Cc1cc(NC[C@@H]2c3ccccc3C[N@@H+]2C)nc(C2CCC2)[nH+]1 ZINC001187361822 1037620658 /nfs/dbraw/zinc/62/06/58/1037620658.db2.gz QJNIRTHSLKKUFF-QGZVFWFLSA-N 2 2 308.429 3.651 20 0 DHADLP Clc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000126630283 1038081042 /nfs/dbraw/zinc/08/10/42/1038081042.db2.gz TVAZSSVRUBMMCY-UHFFFAOYSA-N 2 2 317.845 3.920 20 0 DHADLP CCc1ccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000494433159 1038095052 /nfs/dbraw/zinc/09/50/52/1038095052.db2.gz VSDKJHGHVUDCJS-KRWDZBQOSA-N 2 2 321.424 3.810 20 0 DHADLP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494435853 1038101141 /nfs/dbraw/zinc/10/11/41/1038101141.db2.gz JJINKSUKFHRVAQ-SFHVURJKSA-N 2 2 321.399 3.794 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000127584577 1038197704 /nfs/dbraw/zinc/19/77/04/1038197704.db2.gz OWLRKEYSBFWQEO-INIZCTEOSA-N 2 2 323.415 3.964 20 0 DHADLP Fc1cc(F)cc([C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168394774 1038546195 /nfs/dbraw/zinc/54/61/95/1038546195.db2.gz GYFOBPBWQJSXMT-LJQANCHMSA-N 2 2 320.427 3.976 20 0 DHADLP Fc1cc(F)cc([C@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168394774 1038546203 /nfs/dbraw/zinc/54/62/03/1038546203.db2.gz GYFOBPBWQJSXMT-LJQANCHMSA-N 2 2 320.427 3.976 20 0 DHADLP COc1cccc2c(N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000573738734 1039067307 /nfs/dbraw/zinc/06/73/07/1039067307.db2.gz UXXLZLQRGRAIAH-UONOGXRCSA-N 2 2 311.429 3.589 20 0 DHADLP COc1cccc2c(N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000573738734 1039067325 /nfs/dbraw/zinc/06/73/25/1039067325.db2.gz UXXLZLQRGRAIAH-UONOGXRCSA-N 2 2 311.429 3.589 20 0 DHADLP Cc1ccc(F)c(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608069005 1040363577 /nfs/dbraw/zinc/36/35/77/1040363577.db2.gz RKHDXVYFFVRPIO-LJQANCHMSA-N 2 2 323.415 3.941 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC(F)F)cc2)C1 ZINC000072858515 191238773 /nfs/dbraw/zinc/23/87/73/191238773.db2.gz AEGWGJLPKRWLPB-AWEZNQCLSA-N 2 2 314.445 3.775 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC(F)F)cc2)C1 ZINC000072858515 191238776 /nfs/dbraw/zinc/23/87/76/191238776.db2.gz AEGWGJLPKRWLPB-AWEZNQCLSA-N 2 2 314.445 3.775 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000072858515 191238778 /nfs/dbraw/zinc/23/87/78/191238778.db2.gz AEGWGJLPKRWLPB-AWEZNQCLSA-N 2 2 314.445 3.775 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000072858515 191238780 /nfs/dbraw/zinc/23/87/80/191238780.db2.gz AEGWGJLPKRWLPB-AWEZNQCLSA-N 2 2 314.445 3.775 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCO[C@H](C(C)C)C1)c1ccccc1 ZINC000320423654 335000114 /nfs/dbraw/zinc/00/01/14/335000114.db2.gz JZSHBGZRIRUYBV-ZCNNSNEGSA-N 2 2 318.505 3.863 20 0 DHADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000430709695 335014739 /nfs/dbraw/zinc/01/47/39/335014739.db2.gz OKOOLYUEYWQXJX-LZLYRXPVSA-N 2 2 310.526 3.680 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccccc1OC1CCCC1)Cn1cc[nH+]c1 ZINC000062254275 335032092 /nfs/dbraw/zinc/03/20/92/335032092.db2.gz NNMCBRSLMAGIJZ-INIZCTEOSA-N 2 2 313.445 3.630 20 0 DHADLP Brc1ccccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000299304510 532971764 /nfs/dbraw/zinc/97/17/64/532971764.db2.gz BUDKSHFALJBBLQ-UHFFFAOYSA-N 2 2 323.278 3.556 20 0 DHADLP Cc1[nH+]c2c(n1[C@H]1CCN(c3cc[nH+]cc3Cl)C1)CCCC2 ZINC000275411123 130316446 /nfs/dbraw/zinc/31/64/46/130316446.db2.gz QQWGHRBMZFHIBY-ZDUSSCGKSA-N 2 2 316.836 3.570 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000275779798 130384191 /nfs/dbraw/zinc/38/41/91/130384191.db2.gz XENKCCAKCIDJRS-INIZCTEOSA-N 2 2 323.415 3.791 20 0 DHADLP COc1cccc2c(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc[nH+]c12 ZINC000275777628 130384634 /nfs/dbraw/zinc/38/46/34/130384634.db2.gz HQYMAXDDPSLFRV-WMLDXEAASA-N 2 2 322.412 3.527 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)no1 ZINC000285298133 131155360 /nfs/dbraw/zinc/15/53/60/131155360.db2.gz RWLBDVMXROQUFH-HNNXBMFYSA-N 2 2 301.434 3.674 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)no1 ZINC000285298133 131155361 /nfs/dbraw/zinc/15/53/61/131155361.db2.gz RWLBDVMXROQUFH-HNNXBMFYSA-N 2 2 301.434 3.674 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000285804605 131203659 /nfs/dbraw/zinc/20/36/59/131203659.db2.gz VLMBZHKFRMSKQK-QGZVFWFLSA-N 2 2 309.457 3.705 20 0 DHADLP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340220430 131218569 /nfs/dbraw/zinc/21/85/69/131218569.db2.gz ABPMBHKZYCCDHU-UMGGQSCQSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340220430 131218570 /nfs/dbraw/zinc/21/85/70/131218570.db2.gz ABPMBHKZYCCDHU-UMGGQSCQSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(C2CC2)c1 ZINC000340266593 131309462 /nfs/dbraw/zinc/30/94/62/131309462.db2.gz YLZZQJAUULECDG-KSSFIOAISA-N 2 2 304.503 3.652 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000289208129 131366350 /nfs/dbraw/zinc/36/63/50/131366350.db2.gz IHGKNRRAIZXORK-QZTJIDSGSA-N 2 2 314.429 3.504 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000289208129 131366351 /nfs/dbraw/zinc/36/63/51/131366351.db2.gz IHGKNRRAIZXORK-QZTJIDSGSA-N 2 2 314.429 3.504 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000289374564 131379860 /nfs/dbraw/zinc/37/98/60/131379860.db2.gz KLNGJYCRHMWMEC-UHFFFAOYSA-N 2 2 316.367 3.966 20 0 DHADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCC(=O)C(C)C)CC1 ZINC000289448016 131387337 /nfs/dbraw/zinc/38/73/37/131387337.db2.gz OZFKFUPVCGPNLT-UHFFFAOYSA-N 2 2 313.445 3.597 20 0 DHADLP CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000297753935 132032529 /nfs/dbraw/zinc/03/25/29/132032529.db2.gz OMIXFSACSXJGMD-CABCVRRESA-N 2 2 309.417 3.501 20 0 DHADLP C[C@H]([NH2+]C1(CN[C@H]2CCn3cc[nH+]c32)CCCC1)c1ccccc1 ZINC000297769672 132033403 /nfs/dbraw/zinc/03/34/03/132033403.db2.gz PDUBGHVYXQQUOU-WMZOPIPTSA-N 2 2 324.472 3.581 20 0 DHADLP Clc1ccc2sc(C[NH2+]C3CC[NH+](C4CC4)CC3)nc2c1 ZINC000298469478 132064708 /nfs/dbraw/zinc/06/47/08/132064708.db2.gz OUCIYHIUVKFCSN-UHFFFAOYSA-N 2 2 321.877 3.666 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000298560660 132068197 /nfs/dbraw/zinc/06/81/97/132068197.db2.gz VWHSZLUVDJLSNU-ZCNNSNEGSA-N 2 2 309.457 3.621 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000298560660 132068198 /nfs/dbraw/zinc/06/81/98/132068198.db2.gz VWHSZLUVDJLSNU-ZCNNSNEGSA-N 2 2 309.457 3.621 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000121355316 132153931 /nfs/dbraw/zinc/15/39/31/132153931.db2.gz UUMRUWVYCHJPOJ-ZDUSSCGKSA-N 2 2 317.383 3.679 20 0 DHADLP Cc1cc(N2CCC([NH+]3CCCC3)CC2)c2cccc(F)c2[nH+]1 ZINC000121546109 132155703 /nfs/dbraw/zinc/15/57/03/132155703.db2.gz WTYJPAWBQNHTGY-UHFFFAOYSA-N 2 2 313.420 3.747 20 0 DHADLP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000343315899 335071118 /nfs/dbraw/zinc/07/11/18/335071118.db2.gz RUCVXXUSQVHCBR-GOSISDBHSA-N 2 2 303.425 3.611 20 0 DHADLP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000343315899 335071119 /nfs/dbraw/zinc/07/11/19/335071119.db2.gz RUCVXXUSQVHCBR-GOSISDBHSA-N 2 2 303.425 3.611 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000525870155 335071358 /nfs/dbraw/zinc/07/13/58/335071358.db2.gz TYINMLBREKUMGW-HNNXBMFYSA-N 2 2 309.388 3.905 20 0 DHADLP Cn1c2ccccc2[nH+]c1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000534978897 435307534 /nfs/dbraw/zinc/30/75/34/435307534.db2.gz UWFSYZPAVYOIJE-IBGZPJMESA-N 2 2 320.440 3.822 20 0 DHADLP CCc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000608087804 435350743 /nfs/dbraw/zinc/35/07/43/435350743.db2.gz HADFBKOUDUHUSX-SUMWQHHRSA-N 2 2 316.474 3.596 20 0 DHADLP CCc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000608087804 435350748 /nfs/dbraw/zinc/35/07/48/435350748.db2.gz HADFBKOUDUHUSX-SUMWQHHRSA-N 2 2 316.474 3.596 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000564904797 331954253 /nfs/dbraw/zinc/95/42/53/331954253.db2.gz JEDHSKPGBAKAOE-FQEVSTJZSA-N 2 2 322.452 3.616 20 0 DHADLP Fc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000129434048 332019090 /nfs/dbraw/zinc/01/90/90/332019090.db2.gz FZMGJODMUKYSRS-UHFFFAOYSA-N 2 2 316.342 3.561 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000129753165 332020548 /nfs/dbraw/zinc/02/05/48/332020548.db2.gz JGHQZBKVPDRPKD-DETPVDSQSA-N 2 2 306.450 3.577 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000129753165 332020550 /nfs/dbraw/zinc/02/05/50/332020550.db2.gz JGHQZBKVPDRPKD-DETPVDSQSA-N 2 2 306.450 3.577 20 0 DHADLP C[C@@H]([NH2+]CC1CCSCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131176748 332027868 /nfs/dbraw/zinc/02/78/68/332027868.db2.gz GFFUIDSVHTVLII-CQSZACIVSA-N 2 2 301.459 3.666 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Cl)sc2Cl)C1 ZINC000449326850 332038563 /nfs/dbraw/zinc/03/85/63/332038563.db2.gz ZRKMVLGKDPXJNN-SECBINFHSA-N 2 2 316.257 3.778 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Cl)sc2Cl)C1 ZINC000449326850 332038564 /nfs/dbraw/zinc/03/85/64/332038564.db2.gz ZRKMVLGKDPXJNN-SECBINFHSA-N 2 2 316.257 3.778 20 0 DHADLP CCCCCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000091671058 332080725 /nfs/dbraw/zinc/08/07/25/332080725.db2.gz URAGCWFPAPTHOE-UHFFFAOYSA-N 2 2 304.478 3.782 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(C(C)(C)C)s2)CC1 ZINC000092165762 332120826 /nfs/dbraw/zinc/12/08/26/332120826.db2.gz LDYCXMDLBFROER-UHFFFAOYSA-N 2 2 309.523 3.747 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(C(C)(C)C)s2)CC1 ZINC000092165762 332120827 /nfs/dbraw/zinc/12/08/27/332120827.db2.gz LDYCXMDLBFROER-UHFFFAOYSA-N 2 2 309.523 3.747 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@@H](C)C[NH+](C)C ZINC000569526122 332124984 /nfs/dbraw/zinc/12/49/84/332124984.db2.gz RQDSISHZRGEBIM-SRXBQZRASA-N 2 2 300.368 3.648 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)cccc2OC)C1 ZINC000093742028 332141831 /nfs/dbraw/zinc/14/18/31/332141831.db2.gz MAGQQUDOFJCQQX-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)cccc2OC)C1 ZINC000093742028 332141833 /nfs/dbraw/zinc/14/18/33/332141833.db2.gz MAGQQUDOFJCQQX-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC000093742028 332141835 /nfs/dbraw/zinc/14/18/35/332141835.db2.gz MAGQQUDOFJCQQX-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC000093742028 332141836 /nfs/dbraw/zinc/14/18/36/332141836.db2.gz MAGQQUDOFJCQQX-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1-c1cccs1 ZINC000427130101 332168066 /nfs/dbraw/zinc/16/80/66/332168066.db2.gz DVZNSOYPDOALAM-WMLDXEAASA-N 2 2 316.445 3.738 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1-c1cccs1 ZINC000427130101 332168068 /nfs/dbraw/zinc/16/80/68/332168068.db2.gz DVZNSOYPDOALAM-WMLDXEAASA-N 2 2 316.445 3.738 20 0 DHADLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cc2ccccc2o1 ZINC000151543820 332205763 /nfs/dbraw/zinc/20/57/63/332205763.db2.gz DQLJPUBIXUEXHE-CQSZACIVSA-N 2 2 318.380 3.864 20 0 DHADLP CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000363783095 332246938 /nfs/dbraw/zinc/24/69/38/332246938.db2.gz MLRPVSUGAJWEIM-GOSISDBHSA-N 2 2 310.445 3.576 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000560126030 332312584 /nfs/dbraw/zinc/31/25/84/332312584.db2.gz CEPISOJQDVMIDJ-PIKOESSRSA-N 2 2 316.489 3.678 20 0 DHADLP CC(C)C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000560154319 332315709 /nfs/dbraw/zinc/31/57/09/332315709.db2.gz MXNZLSYLUFGBGH-HXUWFJFHSA-N 2 2 318.505 3.644 20 0 DHADLP CC(C)C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000560154319 332315711 /nfs/dbraw/zinc/31/57/11/332315711.db2.gz MXNZLSYLUFGBGH-HXUWFJFHSA-N 2 2 318.505 3.644 20 0 DHADLP CC(C)C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000560154319 332315713 /nfs/dbraw/zinc/31/57/13/332315713.db2.gz MXNZLSYLUFGBGH-HXUWFJFHSA-N 2 2 318.505 3.644 20 0 DHADLP CC(C)C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000560154319 332315715 /nfs/dbraw/zinc/31/57/15/332315715.db2.gz MXNZLSYLUFGBGH-HXUWFJFHSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000525990492 332340829 /nfs/dbraw/zinc/34/08/29/332340829.db2.gz WJJJBMCPIUHDJM-YIYPIFLZSA-N 2 2 312.910 3.825 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000525990492 332340830 /nfs/dbraw/zinc/34/08/30/332340830.db2.gz WJJJBMCPIUHDJM-YIYPIFLZSA-N 2 2 312.910 3.825 20 0 DHADLP C[NH+](C)CC[NH2+][C@H]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000562055294 332538106 /nfs/dbraw/zinc/53/81/06/332538106.db2.gz UKQPTFSZJPCNML-HOTGVXAUSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(-c2ccncc2)c1 ZINC000427874270 332551961 /nfs/dbraw/zinc/55/19/61/332551961.db2.gz MIRRIEXYQSWGGL-KXBFYZLASA-N 2 2 318.424 3.611 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1F ZINC000427895938 332557424 /nfs/dbraw/zinc/55/74/24/332557424.db2.gz UKISMHIFPYIRNA-SMDDNHRTSA-N 2 2 307.800 3.731 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(OC)CC1)c1ccccc1 ZINC000182487416 333040992 /nfs/dbraw/zinc/04/09/92/333040992.db2.gz LACWXGUXEHSFQM-ACBHZAAOSA-N 2 2 304.478 3.617 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+]Cc1ccccc1)c1cccc(OC)c1 ZINC000518771796 333081816 /nfs/dbraw/zinc/08/18/16/333081816.db2.gz DEWSWNYYMFJJPC-HXUWFJFHSA-N 2 2 312.457 3.868 20 0 DHADLP Cc1[nH+]ccn1CCCN(C)c1cc(C)c2ccc(C)cc2[nH+]1 ZINC000460954045 333082545 /nfs/dbraw/zinc/08/25/45/333082545.db2.gz GRHFPELQWUQVFX-UHFFFAOYSA-N 2 2 308.429 3.883 20 0 DHADLP C/C(=C\c1ccccc1)C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000462722897 333094950 /nfs/dbraw/zinc/09/49/50/333094950.db2.gz BXFQDKOGFZOJOO-QGOAFFKASA-N 2 2 320.480 3.779 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC[C@H]([NH+]4CCCC4)C3)[nH+]c2c1 ZINC000460957895 333105402 /nfs/dbraw/zinc/10/54/02/333105402.db2.gz AOQLZNNPADTVFY-KRWDZBQOSA-N 2 2 309.457 3.916 20 0 DHADLP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000179673394 333154134 /nfs/dbraw/zinc/15/41/34/333154134.db2.gz IRFLFAPGLXVMDC-HXUWFJFHSA-N 2 2 323.415 3.986 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309708419 333191159 /nfs/dbraw/zinc/19/11/59/333191159.db2.gz IKTGESYGVMUIAN-WMLDXEAASA-N 2 2 315.486 3.624 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000309708419 333191160 /nfs/dbraw/zinc/19/11/60/333191160.db2.gz IKTGESYGVMUIAN-WMLDXEAASA-N 2 2 315.486 3.624 20 0 DHADLP CC(C)CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000318754873 333207146 /nfs/dbraw/zinc/20/71/46/333207146.db2.gz BFLOGZGBKLKJJF-SFHVURJKSA-N 2 2 301.478 3.855 20 0 DHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccsc1 ZINC000382182899 333216216 /nfs/dbraw/zinc/21/62/16/333216216.db2.gz XYQYXENTGZNTBU-INIZCTEOSA-N 2 2 301.459 3.853 20 0 DHADLP Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000518790902 333291950 /nfs/dbraw/zinc/29/19/50/333291950.db2.gz QPAOARPMKMRURA-GOSISDBHSA-N 2 2 318.424 3.565 20 0 DHADLP Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000518790902 333291951 /nfs/dbraw/zinc/29/19/51/333291951.db2.gz QPAOARPMKMRURA-GOSISDBHSA-N 2 2 318.424 3.565 20 0 DHADLP Clc1ccc(C[NH2+]CCC[NH+]2CCCCC2)c(Cl)c1 ZINC000019984276 333293025 /nfs/dbraw/zinc/29/30/25/333293025.db2.gz YHIMPFDJNATCGX-UHFFFAOYSA-N 2 2 301.261 3.959 20 0 DHADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1C ZINC000499668825 333295288 /nfs/dbraw/zinc/29/52/88/333295288.db2.gz GAISXZXZNJIUEP-GUYCJALGSA-N 2 2 311.473 3.808 20 0 DHADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1C ZINC000499668825 333295290 /nfs/dbraw/zinc/29/52/90/333295290.db2.gz GAISXZXZNJIUEP-GUYCJALGSA-N 2 2 311.473 3.808 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000503072593 333313924 /nfs/dbraw/zinc/31/39/24/333313924.db2.gz BZTBACBYGXVSNR-YJBOKZPZSA-N 2 2 308.416 3.976 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000503072593 333313926 /nfs/dbraw/zinc/31/39/26/333313926.db2.gz BZTBACBYGXVSNR-YJBOKZPZSA-N 2 2 308.416 3.976 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000503072593 333313927 /nfs/dbraw/zinc/31/39/27/333313927.db2.gz BZTBACBYGXVSNR-YJBOKZPZSA-N 2 2 308.416 3.976 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000503072593 333313929 /nfs/dbraw/zinc/31/39/29/333313929.db2.gz BZTBACBYGXVSNR-YJBOKZPZSA-N 2 2 308.416 3.976 20 0 DHADLP CC[NH+](CC)Cc1cccc(NCc2c[nH+]cn2C(C)C)c1 ZINC000319589711 333319488 /nfs/dbraw/zinc/31/94/88/333319488.db2.gz UGJVENUUTIHLAR-UHFFFAOYSA-N 2 2 300.450 3.918 20 0 DHADLP COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183942444 333328064 /nfs/dbraw/zinc/32/80/64/333328064.db2.gz JGIWUZVPYFHEET-HNNXBMFYSA-N 2 2 301.434 3.586 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000261930365 333380991 /nfs/dbraw/zinc/38/09/91/333380991.db2.gz JNHZOQSMCRXTHE-HOCLYGCPSA-N 2 2 315.486 3.678 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000261930365 333380992 /nfs/dbraw/zinc/38/09/92/333380992.db2.gz JNHZOQSMCRXTHE-HOCLYGCPSA-N 2 2 315.486 3.678 20 0 DHADLP C[C@H]([NH2+]CCc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000124765677 333498616 /nfs/dbraw/zinc/49/86/16/333498616.db2.gz WVIKYTAMXCXMDZ-HNNXBMFYSA-N 2 2 309.388 3.905 20 0 DHADLP CCN(CCC[NH2+]CCCc1c[nH+]ccc1C)c1ccccc1 ZINC000571447986 333790423 /nfs/dbraw/zinc/79/04/23/333790423.db2.gz MQVIZAUFMYAVLA-UHFFFAOYSA-N 2 2 311.473 3.829 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414061582 333889121 /nfs/dbraw/zinc/88/91/21/333889121.db2.gz KMMKCYSXLYCJTN-UKPHBRMFSA-N 2 2 303.837 3.851 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1C[C@H]1C ZINC000414061549 333889124 /nfs/dbraw/zinc/88/91/24/333889124.db2.gz KLEUQYFMNDTDIL-GLJUWKHASA-N 2 2 306.881 3.939 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(C)c1 ZINC000414070840 333890949 /nfs/dbraw/zinc/89/09/49/333890949.db2.gz KCQLVLSGLCXHAH-INIZCTEOSA-N 2 2 313.445 3.942 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000414128723 333899708 /nfs/dbraw/zinc/89/97/08/333899708.db2.gz SLKINPKVPFOFPV-WBVHZDCISA-N 2 2 317.864 3.932 20 0 DHADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000414301240 333936309 /nfs/dbraw/zinc/93/63/09/333936309.db2.gz LLCCPQWHTYGECZ-MOPGFXCFSA-N 2 2 315.505 3.850 20 0 DHADLP Cc1cccc([C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C(C)(C)C)c1 ZINC000414358066 333944764 /nfs/dbraw/zinc/94/47/64/333944764.db2.gz BEYKKAZDSXVCSN-QGZVFWFLSA-N 2 2 314.477 3.672 20 0 DHADLP CC(C)(C)c1ccncc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000414493938 333996921 /nfs/dbraw/zinc/99/69/21/333996921.db2.gz CVEMGXFLQSGXCH-UHFFFAOYSA-N 2 2 320.440 3.855 20 0 DHADLP CC[C@H](c1nc([C@H]([NH3+])CC(C)C)no1)[N@H+](C)Cc1ccccc1 ZINC000414611759 334040719 /nfs/dbraw/zinc/04/07/19/334040719.db2.gz CSCDIPGQPTTZMU-HZPDHXFCSA-N 2 2 316.449 3.699 20 0 DHADLP CC[C@H](c1nc([C@H]([NH3+])CC(C)C)no1)[N@@H+](C)Cc1ccccc1 ZINC000414611759 334040720 /nfs/dbraw/zinc/04/07/20/334040720.db2.gz CSCDIPGQPTTZMU-HZPDHXFCSA-N 2 2 316.449 3.699 20 0 DHADLP COc1ccccc1-c1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000414661189 334060597 /nfs/dbraw/zinc/06/05/97/334060597.db2.gz OGEMKYJUJMRXOW-IBGZPJMESA-N 2 2 322.452 3.689 20 0 DHADLP COc1ccccc1-c1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000414661189 334060598 /nfs/dbraw/zinc/06/05/98/334060598.db2.gz OGEMKYJUJMRXOW-IBGZPJMESA-N 2 2 322.452 3.689 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414780066 334093009 /nfs/dbraw/zinc/09/30/09/334093009.db2.gz GIODJTGUYCVYIC-KXBFYZLASA-N 2 2 310.441 3.592 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000414780066 334093010 /nfs/dbraw/zinc/09/30/10/334093010.db2.gz GIODJTGUYCVYIC-KXBFYZLASA-N 2 2 310.441 3.592 20 0 DHADLP Cc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1Br ZINC000414825594 334109224 /nfs/dbraw/zinc/10/92/24/334109224.db2.gz CPZQJQYJQFIEHS-INIZCTEOSA-N 2 2 319.246 3.547 20 0 DHADLP CCOc1c(Cl)cccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414831316 334110218 /nfs/dbraw/zinc/11/02/18/334110218.db2.gz NCJVCQDAOUEXBC-MRXNPFEDSA-N 2 2 304.821 3.528 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)s2)o1 ZINC000414832412 334110967 /nfs/dbraw/zinc/11/09/67/334110967.db2.gz DLWZUCHOQRNDQA-HNNXBMFYSA-N 2 2 319.474 3.709 20 0 DHADLP [NH3+][C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000414832247 334110971 /nfs/dbraw/zinc/11/09/71/334110971.db2.gz OFTXNNJMIWERQA-HNNXBMFYSA-N 2 2 312.310 3.634 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414834904 334111148 /nfs/dbraw/zinc/11/11/48/334111148.db2.gz RDWAUWIWJDKASU-INIZCTEOSA-N 2 2 308.347 3.803 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(O)c1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000293156187 334195979 /nfs/dbraw/zinc/19/59/79/334195979.db2.gz FFUHTYNXQSXLMG-ZFWWWQNUSA-N 2 2 322.880 3.788 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(O)c1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000293156187 334195980 /nfs/dbraw/zinc/19/59/80/334195980.db2.gz FFUHTYNXQSXLMG-ZFWWWQNUSA-N 2 2 322.880 3.788 20 0 DHADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414935772 334198270 /nfs/dbraw/zinc/19/82/70/334198270.db2.gz WCZUMYKQOAMJEL-IBGZPJMESA-N 2 2 309.457 3.616 20 0 DHADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414957871 334210289 /nfs/dbraw/zinc/21/02/89/334210289.db2.gz RGQPGRRFYZEEFQ-NOZJJQNGSA-N 2 2 306.759 3.589 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CCCc2c(O)cccc21)[N@H+](C)Cc1ccccc1 ZINC000340474679 334211713 /nfs/dbraw/zinc/21/17/13/334211713.db2.gz UEAPUAJCEPUZSW-JXFKEZNVSA-N 2 2 324.468 3.880 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CCCc2c(O)cccc21)[N@@H+](C)Cc1ccccc1 ZINC000340474679 334211715 /nfs/dbraw/zinc/21/17/15/334211715.db2.gz UEAPUAJCEPUZSW-JXFKEZNVSA-N 2 2 324.468 3.880 20 0 DHADLP Cc1cc(N)cc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000414970573 334218239 /nfs/dbraw/zinc/21/82/39/334218239.db2.gz VDIFPUCVQYQJJC-OXJNMPFZSA-N 2 2 309.457 3.502 20 0 DHADLP Cc1cc(N)cc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000414970573 334218240 /nfs/dbraw/zinc/21/82/40/334218240.db2.gz VDIFPUCVQYQJJC-OXJNMPFZSA-N 2 2 309.457 3.502 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000415086399 334273665 /nfs/dbraw/zinc/27/36/65/334273665.db2.gz JPEMCYTWUMGSJY-DZGCQCFKSA-N 2 2 300.377 3.631 20 0 DHADLP c1cn(-c2csc(C[NH2+]Cc3ccc4c(c3)CCCN4)c2)c[nH+]1 ZINC000414979385 334224475 /nfs/dbraw/zinc/22/44/75/334224475.db2.gz NVELWBOZWQUILH-UHFFFAOYSA-N 2 2 324.453 3.582 20 0 DHADLP CC(C)C[C@H]([NH3+])C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415086868 334275317 /nfs/dbraw/zinc/27/53/17/334275317.db2.gz SAUAXCKWEBLBSD-UONOGXRCSA-N 2 2 306.347 3.782 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]([NH3+])CC(C)C)c1ccccc1OC(F)F ZINC000415086924 334275415 /nfs/dbraw/zinc/27/54/15/334275415.db2.gz SEWMIQGBPFGACP-TZMCWYRMSA-N 2 2 300.393 3.702 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)c1ccccc1OC(F)F ZINC000415086921 334275494 /nfs/dbraw/zinc/27/54/94/334275494.db2.gz SEWMIQGBPFGACP-JSGCOSHPSA-N 2 2 300.393 3.702 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@H](C[NH3+])C(C)(C)C)s2)cc1 ZINC000415049481 334258941 /nfs/dbraw/zinc/25/89/41/334258941.db2.gz AQOPVVWTBBTVCG-OAHLLOKOSA-N 2 2 303.475 3.582 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000415066964 334262654 /nfs/dbraw/zinc/26/26/54/334262654.db2.gz ORQQCQAJRXJFMT-IBGZPJMESA-N 2 2 323.415 3.726 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000415067494 334262698 /nfs/dbraw/zinc/26/26/98/334262698.db2.gz PPJASQSIYFNOQY-QGZVFWFLSA-N 2 2 320.383 3.640 20 0 DHADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000415077825 334270158 /nfs/dbraw/zinc/27/01/58/334270158.db2.gz FNLUSCIRSSIFQW-WDEREUQCSA-N 2 2 321.412 3.562 20 0 DHADLP Fc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415088430 334277351 /nfs/dbraw/zinc/27/73/51/334277351.db2.gz XKUCWDLXFVHNBI-SFHVURJKSA-N 2 2 318.823 3.910 20 0 DHADLP CC[C@@H]([NH2+]CC[NH2+]C(C)(C)C)c1ccccc1OC(F)F ZINC000415088603 334278175 /nfs/dbraw/zinc/27/81/75/334278175.db2.gz VNJQJBUDGROUEN-CYBMUJFWSA-N 2 2 300.393 3.717 20 0 DHADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(F)c1 ZINC000415091331 334280309 /nfs/dbraw/zinc/28/03/09/334280309.db2.gz YXRUBTOSNSHCAI-AEFFLSMTSA-N 2 2 302.368 3.548 20 0 DHADLP CC(C)c1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc[nH+]1 ZINC000110536133 334282808 /nfs/dbraw/zinc/28/28/08/334282808.db2.gz QZRMPCJPTGAOCY-KRWDZBQOSA-N 2 2 316.493 3.692 20 0 DHADLP C[N@@H+](Cc1ncc(-c2ccccc2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000152279779 334334443 /nfs/dbraw/zinc/33/44/43/334334443.db2.gz SKQGSARIRKXWRM-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP C[N@H+](Cc1ncc(-c2ccccc2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000152279779 334334445 /nfs/dbraw/zinc/33/44/45/334334445.db2.gz SKQGSARIRKXWRM-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](Cc1ncc(-c2ccccc2)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152279779 334334446 /nfs/dbraw/zinc/33/44/46/334334446.db2.gz SKQGSARIRKXWRM-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](Cc1ncc(-c2ccccc2)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152279779 334334448 /nfs/dbraw/zinc/33/44/48/334334448.db2.gz SKQGSARIRKXWRM-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1sccc1Br ZINC000049554372 334349942 /nfs/dbraw/zinc/34/99/42/334349942.db2.gz ZGVJQGDDHJOKDA-VHSXEESVSA-N 2 2 305.285 3.501 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000531984722 334358044 /nfs/dbraw/zinc/35/80/44/334358044.db2.gz UOABFVYSJOOMTL-ILXRZTDVSA-N 2 2 317.502 3.720 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000531984722 334358045 /nfs/dbraw/zinc/35/80/45/334358045.db2.gz UOABFVYSJOOMTL-ILXRZTDVSA-N 2 2 317.502 3.720 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000531984724 334358065 /nfs/dbraw/zinc/35/80/65/334358065.db2.gz UOABFVYSJOOMTL-QLFBSQMISA-N 2 2 317.502 3.720 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000531984724 334358066 /nfs/dbraw/zinc/35/80/66/334358066.db2.gz UOABFVYSJOOMTL-QLFBSQMISA-N 2 2 317.502 3.720 20 0 DHADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000531983712 334358229 /nfs/dbraw/zinc/35/82/29/334358229.db2.gz WVFAOGPVFUIPAZ-CJNGLKHVSA-N 2 2 312.404 3.671 20 0 DHADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000531983712 334358230 /nfs/dbraw/zinc/35/82/30/334358230.db2.gz WVFAOGPVFUIPAZ-CJNGLKHVSA-N 2 2 312.404 3.671 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000531988458 334362213 /nfs/dbraw/zinc/36/22/13/334362213.db2.gz FGHVKUQURWWWNA-BLLLJJGKSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000531988458 334362214 /nfs/dbraw/zinc/36/22/14/334362214.db2.gz FGHVKUQURWWWNA-BLLLJJGKSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000531988458 334362215 /nfs/dbraw/zinc/36/22/15/334362215.db2.gz FGHVKUQURWWWNA-BLLLJJGKSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000531988458 334362216 /nfs/dbraw/zinc/36/22/16/334362216.db2.gz FGHVKUQURWWWNA-BLLLJJGKSA-N 2 2 313.272 3.910 20 0 DHADLP Cc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341394153 334438619 /nfs/dbraw/zinc/43/86/19/334438619.db2.gz SMIQJHKTXICQMN-QGZVFWFLSA-N 2 2 309.457 3.705 20 0 DHADLP CC(C)Cc1ccc([C@@H](C[NH2+]C[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC000342315313 334531640 /nfs/dbraw/zinc/53/16/40/334531640.db2.gz ZLDFYJXAHSKHOU-UYAOXDASSA-N 2 2 318.505 3.504 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C[NH+]1CCCC1 ZINC000343845493 335196793 /nfs/dbraw/zinc/19/67/93/335196793.db2.gz VZOUBAMHBHHVPP-MNOVXSKESA-N 2 2 321.412 3.544 20 0 DHADLP Fc1ccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)cc1 ZINC000344075090 335215266 /nfs/dbraw/zinc/21/52/66/335215266.db2.gz RKALHXLGZCFYTF-UHFFFAOYSA-N 2 2 313.401 3.852 20 0 DHADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000344309362 335239529 /nfs/dbraw/zinc/23/95/29/335239529.db2.gz UGUYLLYKLXDLIW-XJKSGUPXSA-N 2 2 319.474 3.617 20 0 DHADLP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000344327390 335240944 /nfs/dbraw/zinc/24/09/44/335240944.db2.gz LTAXMEWJNHLPMI-IDCJVQTKSA-N 2 2 313.445 3.582 20 0 DHADLP CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000344335150 335241888 /nfs/dbraw/zinc/24/18/88/335241888.db2.gz RIIXAFBVSJMEEJ-HOCLYGCPSA-N 2 2 319.474 3.617 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)c2)c[nH+]1 ZINC000344357256 335244058 /nfs/dbraw/zinc/24/40/58/335244058.db2.gz NIOWGVNVXSRJCK-CQSZACIVSA-N 2 2 317.458 3.515 20 0 DHADLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(Cl)c1 ZINC000344521786 335254621 /nfs/dbraw/zinc/25/46/21/335254621.db2.gz VHBRVZZHASRQAG-AWEZNQCLSA-N 2 2 319.836 3.521 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000344512908 335257790 /nfs/dbraw/zinc/25/77/90/335257790.db2.gz KYRADXRFMHHVGP-UHFFFAOYSA-N 2 2 313.445 3.968 20 0 DHADLP Cc1ccoc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000344835762 335279021 /nfs/dbraw/zinc/27/90/21/335279021.db2.gz JMQYVZUISQSWRJ-GOSISDBHSA-N 2 2 309.413 3.932 20 0 DHADLP CC[N@H+](Cc1csc(CCC(C)C)n1)[C@H]1CCC[NH2+]CC1 ZINC000345193601 335306817 /nfs/dbraw/zinc/30/68/17/335306817.db2.gz WRVNJPTTYDPPRF-INIZCTEOSA-N 2 2 309.523 3.696 20 0 DHADLP CC[N@@H+](Cc1csc(CCC(C)C)n1)[C@H]1CCC[NH2+]CC1 ZINC000345193601 335306818 /nfs/dbraw/zinc/30/68/18/335306818.db2.gz WRVNJPTTYDPPRF-INIZCTEOSA-N 2 2 309.523 3.696 20 0 DHADLP CC(C)[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000346174133 335377717 /nfs/dbraw/zinc/37/77/17/335377717.db2.gz NQCYUXTWTKXYMY-OAHLLOKOSA-N 2 2 307.488 3.507 20 0 DHADLP CC(C)[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000346174133 335377718 /nfs/dbraw/zinc/37/77/18/335377718.db2.gz NQCYUXTWTKXYMY-OAHLLOKOSA-N 2 2 307.488 3.507 20 0 DHADLP Fc1cccc2c1CC[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000346181814 335378736 /nfs/dbraw/zinc/37/87/36/335378736.db2.gz UZYSLSUGVNGEHS-UHFFFAOYSA-N 2 2 313.401 3.631 20 0 DHADLP Fc1cccc2c1CC[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000346181814 335378738 /nfs/dbraw/zinc/37/87/38/335378738.db2.gz UZYSLSUGVNGEHS-UHFFFAOYSA-N 2 2 313.401 3.631 20 0 DHADLP CCC(CC)[N@H+](CCOC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346134731 335379926 /nfs/dbraw/zinc/37/99/26/335379926.db2.gz NYYBXDLYMZVJKI-UHFFFAOYSA-N 2 2 307.463 3.571 20 0 DHADLP CCC(CC)[N@@H+](CCOC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346134731 335379927 /nfs/dbraw/zinc/37/99/27/335379927.db2.gz NYYBXDLYMZVJKI-UHFFFAOYSA-N 2 2 307.463 3.571 20 0 DHADLP CC[C@H]1CCCC[N@@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346155970 335382857 /nfs/dbraw/zinc/38/28/57/335382857.db2.gz RWBSWDJGNHLBDW-AWEZNQCLSA-N 2 2 307.507 3.674 20 0 DHADLP CC[C@H]1CCCC[N@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346155970 335382859 /nfs/dbraw/zinc/38/28/59/335382859.db2.gz RWBSWDJGNHLBDW-AWEZNQCLSA-N 2 2 307.507 3.674 20 0 DHADLP CC[C@H]1CCCC[NH+]1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346155970 335382860 /nfs/dbraw/zinc/38/28/60/335382860.db2.gz RWBSWDJGNHLBDW-AWEZNQCLSA-N 2 2 307.507 3.674 20 0 DHADLP CC[C@H]1CCCC[NH+]1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346155970 335382862 /nfs/dbraw/zinc/38/28/62/335382862.db2.gz RWBSWDJGNHLBDW-AWEZNQCLSA-N 2 2 307.507 3.674 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H](C)[C@H]3C)sc2C1 ZINC000346163698 335384060 /nfs/dbraw/zinc/38/40/60/335384060.db2.gz CASOKWAEWGZLGG-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H](C)[C@H]3C)sc2C1 ZINC000346163698 335384062 /nfs/dbraw/zinc/38/40/62/335384062.db2.gz CASOKWAEWGZLGG-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3C)sc2C1 ZINC000346163698 335384064 /nfs/dbraw/zinc/38/40/64/335384064.db2.gz CASOKWAEWGZLGG-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H](C)[C@H]3C)sc2C1 ZINC000346163698 335384066 /nfs/dbraw/zinc/38/40/66/335384066.db2.gz CASOKWAEWGZLGG-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP FC(F)(F)C1=CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346230465 335386473 /nfs/dbraw/zinc/38/64/73/335386473.db2.gz WGBPCIRLBKRWTK-UHFFFAOYSA-N 2 2 313.348 3.628 20 0 DHADLP FC(F)(F)C1=CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346230465 335386475 /nfs/dbraw/zinc/38/64/75/335386475.db2.gz WGBPCIRLBKRWTK-UHFFFAOYSA-N 2 2 313.348 3.628 20 0 DHADLP C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346199096 335389291 /nfs/dbraw/zinc/38/92/91/335389291.db2.gz KYTGPGDEGXIUSA-CYBMUJFWSA-N 2 2 313.426 3.832 20 0 DHADLP C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346199096 335389292 /nfs/dbraw/zinc/38/92/92/335389292.db2.gz KYTGPGDEGXIUSA-CYBMUJFWSA-N 2 2 313.426 3.832 20 0 DHADLP Fc1ccccc1CC[N@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000346275292 335391610 /nfs/dbraw/zinc/39/16/10/335391610.db2.gz JGKJFNUSKYGUOG-UHFFFAOYSA-N 2 2 301.409 3.510 20 0 DHADLP Fc1ccccc1CC[N@@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000346275292 335391611 /nfs/dbraw/zinc/39/16/11/335391611.db2.gz JGKJFNUSKYGUOG-UHFFFAOYSA-N 2 2 301.409 3.510 20 0 DHADLP Cc1[nH]c2ccccc2c1C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000347740925 335526090 /nfs/dbraw/zinc/52/60/90/335526090.db2.gz VPEJBGFMDZGDPP-UHFFFAOYSA-N 2 2 322.456 3.632 20 0 DHADLP CCc1cccc(F)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348189921 335564082 /nfs/dbraw/zinc/56/40/82/335564082.db2.gz YTHRZBXYEXOKAA-UHFFFAOYSA-N 2 2 323.415 3.923 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+][C@H]2COC(C)(C)C2)c2cccs2)CC1 ZINC000417836194 335643274 /nfs/dbraw/zinc/64/32/74/335643274.db2.gz HDMOHNJNBANRHI-HZPDHXFCSA-N 2 2 322.518 3.678 20 0 DHADLP c1cn(-c2csc(CNc3[nH+]ccn3-c3ccccc3)c2)c[nH+]1 ZINC000351569603 336045831 /nfs/dbraw/zinc/04/58/31/336045831.db2.gz RWGJAVROIYCNII-UHFFFAOYSA-N 2 2 321.409 3.732 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367127705 336061795 /nfs/dbraw/zinc/06/17/95/336061795.db2.gz VEUUYLMOQSFINV-MNEFBYGVSA-N 2 2 318.424 3.549 20 0 DHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1c(C)cc[nH+]c1C)CC(C)C ZINC000351922605 336178816 /nfs/dbraw/zinc/17/88/16/336178816.db2.gz IAKZGGOZMMKOJU-MRXNPFEDSA-N 2 2 320.481 3.576 20 0 DHADLP Cc1oc2ccccc2c1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000352345813 336213388 /nfs/dbraw/zinc/21/33/88/336213388.db2.gz OKKWIXVPMYOHHN-UHFFFAOYSA-N 2 2 321.424 3.767 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCc2ccccc2F)CC1 ZINC000352355095 336213868 /nfs/dbraw/zinc/21/38/68/336213868.db2.gz BGXDUQAOMKAEJJ-UHFFFAOYSA-N 2 2 314.404 3.615 20 0 DHADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC000352554580 336224305 /nfs/dbraw/zinc/22/43/05/336224305.db2.gz HCIOWNZPUWNTOD-GOSISDBHSA-N 2 2 324.403 3.706 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1OC(F)F ZINC000352682141 336230181 /nfs/dbraw/zinc/23/01/81/336230181.db2.gz BYFXROUVAQWMEJ-VBNZEHGJSA-N 2 2 324.415 3.811 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1OC(F)F ZINC000352682141 336230182 /nfs/dbraw/zinc/23/01/82/336230182.db2.gz BYFXROUVAQWMEJ-VBNZEHGJSA-N 2 2 324.415 3.811 20 0 DHADLP CC(C)c1cccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352738886 336233062 /nfs/dbraw/zinc/23/30/62/336233062.db2.gz PBAXDCAYWJNEQA-UHFFFAOYSA-N 2 2 303.475 3.618 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)C2CCC2)s1 ZINC000352779380 336235941 /nfs/dbraw/zinc/23/59/41/336235941.db2.gz LEQJFJWYHPPGFZ-SFHVURJKSA-N 2 2 315.486 3.836 20 0 DHADLP CCc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)s1 ZINC000352798541 336237894 /nfs/dbraw/zinc/23/78/94/336237894.db2.gz KTTNDFZHZJBEJG-CVEARBPZSA-N 2 2 321.534 3.792 20 0 DHADLP CCc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)s1 ZINC000352798541 336237895 /nfs/dbraw/zinc/23/78/95/336237895.db2.gz KTTNDFZHZJBEJG-CVEARBPZSA-N 2 2 321.534 3.792 20 0 DHADLP CCc1ncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000352798541 336237896 /nfs/dbraw/zinc/23/78/96/336237896.db2.gz KTTNDFZHZJBEJG-CVEARBPZSA-N 2 2 321.534 3.792 20 0 DHADLP CCc1ncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000352798541 336237897 /nfs/dbraw/zinc/23/78/97/336237897.db2.gz KTTNDFZHZJBEJG-CVEARBPZSA-N 2 2 321.534 3.792 20 0 DHADLP CC[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000532442050 336247515 /nfs/dbraw/zinc/24/75/15/336247515.db2.gz HCYJVMADVWCJTE-WOJBJXKFSA-N 2 2 316.489 3.618 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000532487177 336251904 /nfs/dbraw/zinc/25/19/04/336251904.db2.gz HPDOZGRXUQNIHZ-QWQRMKEZSA-N 2 2 304.503 3.932 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000532487177 336251905 /nfs/dbraw/zinc/25/19/05/336251905.db2.gz HPDOZGRXUQNIHZ-QWQRMKEZSA-N 2 2 304.503 3.932 20 0 DHADLP Cc1cc(NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)nc[nH+]1 ZINC000301253645 336297024 /nfs/dbraw/zinc/29/70/24/336297024.db2.gz QIIOYJQHHJTLNK-HZPDHXFCSA-N 2 2 324.472 3.875 20 0 DHADLP C[C@@H]1C[NH+](C(C)(C)CNc2cc[nH+]c3ccsc32)C[C@@H](C)O1 ZINC000301377488 336303424 /nfs/dbraw/zinc/30/34/24/336303424.db2.gz WTXWSIXFBXLDBT-CHWSQXEVSA-N 2 2 319.474 3.596 20 0 DHADLP C[C@H](CNc1cc[nH+]cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000301538184 336313311 /nfs/dbraw/zinc/31/33/11/336313311.db2.gz UQNNOATWZHBXSU-LLVKDONJSA-N 2 2 307.850 3.655 20 0 DHADLP C[C@H](CNc1cc[nH+]cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000301538184 336313312 /nfs/dbraw/zinc/31/33/12/336313312.db2.gz UQNNOATWZHBXSU-LLVKDONJSA-N 2 2 307.850 3.655 20 0 DHADLP Cc1cc[nH+]c(N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000301615285 336318479 /nfs/dbraw/zinc/31/84/79/336318479.db2.gz BFTDERBCMUXTQK-UHFFFAOYSA-N 2 2 309.457 3.535 20 0 DHADLP Cc1cc[nH+]c(N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000301615285 336318480 /nfs/dbraw/zinc/31/84/80/336318480.db2.gz BFTDERBCMUXTQK-UHFFFAOYSA-N 2 2 309.457 3.535 20 0 DHADLP COc1ccc([C@@H](CNc2cc(C)cc[nH+]2)[NH+]2CCCC2)cc1 ZINC000301641259 336320065 /nfs/dbraw/zinc/32/00/65/336320065.db2.gz NLNPGPCWODLVLE-GOSISDBHSA-N 2 2 311.429 3.648 20 0 DHADLP Cc1cc[nH+]c(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000301660352 336321430 /nfs/dbraw/zinc/32/14/30/336321430.db2.gz UGMZXRSYDOJBPS-AWEZNQCLSA-N 2 2 317.383 3.745 20 0 DHADLP Cc1cc[nH+]c(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000301660352 336321431 /nfs/dbraw/zinc/32/14/31/336321431.db2.gz UGMZXRSYDOJBPS-AWEZNQCLSA-N 2 2 317.383 3.745 20 0 DHADLP Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000301662092 336321566 /nfs/dbraw/zinc/32/15/66/336321566.db2.gz JVNMWBRITMKTAN-INIZCTEOSA-N 2 2 313.376 3.990 20 0 DHADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c(C)[nH+]1 ZINC000301665922 336321906 /nfs/dbraw/zinc/32/19/06/336321906.db2.gz CDHOVYMJJSAQHD-KUHUBIRLSA-N 2 2 324.472 3.724 20 0 DHADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c(C)[nH+]1 ZINC000301665922 336321907 /nfs/dbraw/zinc/32/19/07/336321907.db2.gz CDHOVYMJJSAQHD-KUHUBIRLSA-N 2 2 324.472 3.724 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC000301665921 336321951 /nfs/dbraw/zinc/32/19/51/336321951.db2.gz CDHOVYMJJSAQHD-IFXJQAMLSA-N 2 2 324.472 3.724 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC000301665921 336321952 /nfs/dbraw/zinc/32/19/52/336321952.db2.gz CDHOVYMJJSAQHD-IFXJQAMLSA-N 2 2 324.472 3.724 20 0 DHADLP Cc1cccc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)[nH+]1 ZINC000301691518 336323733 /nfs/dbraw/zinc/32/37/33/336323733.db2.gz KRKVFVZFHTZFOU-HNNXBMFYSA-N 2 2 315.848 3.927 20 0 DHADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301695619 336323998 /nfs/dbraw/zinc/32/39/98/336323998.db2.gz ZUKQOXFUCQNEPU-KUHUBIRLSA-N 2 2 324.472 3.867 20 0 DHADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301695619 336323999 /nfs/dbraw/zinc/32/39/99/336323999.db2.gz ZUKQOXFUCQNEPU-KUHUBIRLSA-N 2 2 324.472 3.867 20 0 DHADLP C[NH+]1CCC(Nc2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)CC1 ZINC000301721117 336325554 /nfs/dbraw/zinc/32/55/54/336325554.db2.gz JMDKIILDXUJBGS-UHFFFAOYSA-N 2 2 304.482 3.578 20 0 DHADLP C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301882022 336335950 /nfs/dbraw/zinc/33/59/50/336335950.db2.gz MLIDQRRIVUKKIK-CXAGYDPISA-N 2 2 319.811 3.979 20 0 DHADLP C[N@H+]1CC[C@H](CNc2cccc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301882022 336335951 /nfs/dbraw/zinc/33/59/51/336335951.db2.gz MLIDQRRIVUKKIK-CXAGYDPISA-N 2 2 319.811 3.979 20 0 DHADLP Cc1cc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc[nH+]1 ZINC000302218255 336354466 /nfs/dbraw/zinc/35/44/66/336354466.db2.gz KPEWWNJCKOPEGS-UHFFFAOYSA-N 2 2 319.811 3.505 20 0 DHADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000514107779 336362695 /nfs/dbraw/zinc/36/26/95/336362695.db2.gz QAOZKWXTCRMUHX-OAHLLOKOSA-N 2 2 310.869 3.525 20 0 DHADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000514107779 336362696 /nfs/dbraw/zinc/36/26/96/336362696.db2.gz QAOZKWXTCRMUHX-OAHLLOKOSA-N 2 2 310.869 3.525 20 0 DHADLP C[N@@H+]1CC[C@H](Nc2cc[nH+]cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000302802385 336369903 /nfs/dbraw/zinc/36/99/03/336369903.db2.gz DACPTYZTCCQVGM-HOTGVXAUSA-N 2 2 323.774 3.871 20 0 DHADLP C[N@H+]1CC[C@H](Nc2cc[nH+]cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000302802385 336369904 /nfs/dbraw/zinc/36/99/04/336369904.db2.gz DACPTYZTCCQVGM-HOTGVXAUSA-N 2 2 323.774 3.871 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000418070233 336398325 /nfs/dbraw/zinc/39/83/25/336398325.db2.gz QXLQYUOQBXLOFM-RXVVDRJESA-N 2 2 324.468 3.980 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccco2)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000418070233 336398326 /nfs/dbraw/zinc/39/83/26/336398326.db2.gz QXLQYUOQBXLOFM-RXVVDRJESA-N 2 2 324.468 3.980 20 0 DHADLP Cc1[nH]c2ccc(C[NH2+]Cc3cccc4[nH+]ccn43)cc2c1C ZINC000354288439 336465763 /nfs/dbraw/zinc/46/57/63/336465763.db2.gz DFCKMRKZFZMEMO-UHFFFAOYSA-N 2 2 304.397 3.722 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H]2CCCN(c3ccccc3)C2)c[nH+]1 ZINC000354456833 336471324 /nfs/dbraw/zinc/47/13/24/336471324.db2.gz HTXWQUJEODRKOA-IBGZPJMESA-N 2 2 309.457 3.581 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c[nH+]1 ZINC000354462764 336471666 /nfs/dbraw/zinc/47/16/66/336471666.db2.gz IWJYCLIFOOPKRJ-QGZVFWFLSA-N 2 2 320.440 3.859 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2c(F)cccc2OC(F)F)c[nH+]1 ZINC000354493187 336472870 /nfs/dbraw/zinc/47/28/70/336472870.db2.gz FFCRMODDQWTWBK-UHFFFAOYSA-N 2 2 324.346 3.853 20 0 DHADLP CC1CCC(C)(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000355416354 336508175 /nfs/dbraw/zinc/50/81/75/336508175.db2.gz FEODJLXASTYIHZ-UHFFFAOYSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Cl)c(C)c1)CCC2 ZINC000355668833 336518493 /nfs/dbraw/zinc/51/84/93/336518493.db2.gz MQNNEVVWRKXLBZ-OAHLLOKOSA-N 2 2 303.837 3.821 20 0 DHADLP c1cc2cccc(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)c2[nH]1 ZINC000355705596 336519659 /nfs/dbraw/zinc/51/96/59/336519659.db2.gz MRZWGDNDGYSEPA-UHFFFAOYSA-N 2 2 302.381 3.643 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000356874533 336564341 /nfs/dbraw/zinc/56/43/41/336564341.db2.gz QMJOXUAWXMAQDB-CQSZACIVSA-N 2 2 308.429 3.653 20 0 DHADLP C[C@H]([NH2+][C@@H]1COc2ccc(F)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358253221 336619679 /nfs/dbraw/zinc/61/96/79/336619679.db2.gz VQJZIVQGNYCRAO-SCLBCKFNSA-N 2 2 323.371 3.796 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+]CC1(CC)CCOCC1)c1ccccc1 ZINC000358523630 336633453 /nfs/dbraw/zinc/63/34/53/336633453.db2.gz SPHMWVBYRXKBQC-IBGZPJMESA-N 2 2 318.505 3.866 20 0 DHADLP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000359145685 336659970 /nfs/dbraw/zinc/65/99/70/336659970.db2.gz QNRRNOPUUKOIEB-SJORKVTESA-N 2 2 319.474 3.617 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccccc1F ZINC000361050179 336735134 /nfs/dbraw/zinc/73/51/34/336735134.db2.gz GDNRZHRUQNXHTL-PBHICJAKSA-N 2 2 301.409 3.949 20 0 DHADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361486830 336758877 /nfs/dbraw/zinc/75/88/77/336758877.db2.gz SJKOIHTYIDAJHR-IBGZPJMESA-N 2 2 307.372 3.789 20 0 DHADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)ccn1 ZINC000361768840 336772330 /nfs/dbraw/zinc/77/23/30/336772330.db2.gz RXOJVYZCJHIKBI-QWFCFKBJSA-N 2 2 313.489 3.604 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](c3ccccc3)[C@H]1C)CCC2 ZINC000361896132 336777252 /nfs/dbraw/zinc/77/72/52/336777252.db2.gz FSPDOXGAUOXPRN-XGXHKWSGSA-N 2 2 309.457 3.851 20 0 DHADLP CCCC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368003963 336834255 /nfs/dbraw/zinc/83/42/55/336834255.db2.gz AQWULMAZTIBSLO-SJORKVTESA-N 2 2 303.494 3.850 20 0 DHADLP FC(F)(F)C1CCC(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000368629558 336849586 /nfs/dbraw/zinc/84/95/86/336849586.db2.gz AQXLNOWAPPBSED-UHFFFAOYSA-N 2 2 315.383 3.958 20 0 DHADLP c1nc(C2CCCC2)sc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000369537422 336866654 /nfs/dbraw/zinc/86/66/54/336866654.db2.gz QNIUVHLJACGIPC-UHFFFAOYSA-N 2 2 319.518 3.907 20 0 DHADLP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370668970 336890294 /nfs/dbraw/zinc/89/02/94/336890294.db2.gz CBILCGAEDBFDAH-INIZCTEOSA-N 2 2 322.412 3.664 20 0 DHADLP C[C@H](CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000371208985 336897489 /nfs/dbraw/zinc/89/74/89/336897489.db2.gz KPZMNMZUEKFUBD-GOSISDBHSA-N 2 2 323.484 3.829 20 0 DHADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1F ZINC000371311414 336899940 /nfs/dbraw/zinc/89/99/40/336899940.db2.gz WFYCIRULLQLVMX-UKRRQHHQSA-N 2 2 317.408 3.567 20 0 DHADLP Cc1cc(F)ccc1C[NH2+]Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000371386439 336902154 /nfs/dbraw/zinc/90/21/54/336902154.db2.gz AVJAAUVCSGVEKA-UHFFFAOYSA-N 2 2 309.388 3.824 20 0 DHADLP C[C@@H]1CCCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373492475 336962190 /nfs/dbraw/zinc/96/21/90/336962190.db2.gz DRCCNNCFCWIUBI-TWRYWWQQSA-N 2 2 318.427 3.960 20 0 DHADLP Cc1cc(Cl)nc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000374358407 336988147 /nfs/dbraw/zinc/98/81/47/336988147.db2.gz CMDWFKYKNKCXRO-UHFFFAOYSA-N 2 2 321.896 3.930 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000582442826 337000355 /nfs/dbraw/zinc/00/03/55/337000355.db2.gz NRUMRCWTITWRIT-OVHOFWQVSA-N 2 2 324.390 3.935 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000582442826 337000356 /nfs/dbraw/zinc/00/03/56/337000356.db2.gz NRUMRCWTITWRIT-OVHOFWQVSA-N 2 2 324.390 3.935 20 0 DHADLP CC(C)c1nc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cs1 ZINC000375074564 337002766 /nfs/dbraw/zinc/00/27/66/337002766.db2.gz NSTVZWYPANVUPZ-ZDUSSCGKSA-N 2 2 318.490 3.693 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)no1 ZINC000375081285 337002816 /nfs/dbraw/zinc/00/28/16/337002816.db2.gz PTBNIDLWOSYWHP-HOTGVXAUSA-N 2 2 313.445 3.859 20 0 DHADLP CC1CCC([NH+]2CCC([N@H+](C)Cc3cncs3)CC2)CC1 ZINC000122366588 337005258 /nfs/dbraw/zinc/00/52/58/337005258.db2.gz YITDRFGPMKAUPC-UHFFFAOYSA-N 2 2 307.507 3.618 20 0 DHADLP CC1CCC([NH+]2CCC([N@@H+](C)Cc3cncs3)CC2)CC1 ZINC000122366588 337005259 /nfs/dbraw/zinc/00/52/59/337005259.db2.gz YITDRFGPMKAUPC-UHFFFAOYSA-N 2 2 307.507 3.618 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1F ZINC000375270846 337007073 /nfs/dbraw/zinc/00/70/73/337007073.db2.gz XJYYWXHCVZSCQX-GFCCVEGCSA-N 2 2 319.449 3.931 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000304950018 337008379 /nfs/dbraw/zinc/00/83/79/337008379.db2.gz GDZXOBLDHMHHSG-IOMROCGXSA-N 2 2 324.468 3.535 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000304950018 337008380 /nfs/dbraw/zinc/00/83/80/337008380.db2.gz GDZXOBLDHMHHSG-IOMROCGXSA-N 2 2 324.468 3.535 20 0 DHADLP CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccnc1 ZINC000375521332 337012639 /nfs/dbraw/zinc/01/26/39/337012639.db2.gz CSRLTIIIRTVSPD-SFHVURJKSA-N 2 2 310.445 3.576 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](CCC(C)C)c1ccoc1)C2 ZINC000375804216 337019997 /nfs/dbraw/zinc/01/99/97/337019997.db2.gz HEJQFQAZYNRFBJ-IAGOWNOFSA-N 2 2 301.434 3.866 20 0 DHADLP CCc1nc(N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)cc(C)[nH+]1 ZINC000376187131 337029190 /nfs/dbraw/zinc/02/91/90/337029190.db2.gz JATJMIKLRHKQDJ-OAHLLOKOSA-N 2 2 313.449 3.509 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1C[C@H](c3ccccc3)C1(C)C)C2 ZINC000123108608 337037901 /nfs/dbraw/zinc/03/79/01/337037901.db2.gz WUDDDKPKDLSDDK-KSZLIROESA-N 2 2 309.457 3.678 20 0 DHADLP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377257944 337049683 /nfs/dbraw/zinc/04/96/83/337049683.db2.gz QCRVCBMDFSTFPU-PVAVHDDUSA-N 2 2 321.534 3.584 20 0 DHADLP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377257944 337049684 /nfs/dbraw/zinc/04/96/84/337049684.db2.gz QCRVCBMDFSTFPU-PVAVHDDUSA-N 2 2 321.534 3.584 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000377300685 337050195 /nfs/dbraw/zinc/05/01/95/337050195.db2.gz WLXCZQUOKDERKY-BZSNNMDCSA-N 2 2 301.478 3.633 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000377300685 337050196 /nfs/dbraw/zinc/05/01/96/337050196.db2.gz WLXCZQUOKDERKY-BZSNNMDCSA-N 2 2 301.478 3.633 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000377619501 337056613 /nfs/dbraw/zinc/05/66/13/337056613.db2.gz UWVUFTDVWCIEOD-UHFFFAOYSA-N 2 2 320.440 3.513 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000377644200 337057300 /nfs/dbraw/zinc/05/73/00/337057300.db2.gz GYRZBFFBPBMDFW-UHFFFAOYSA-N 2 2 302.462 3.652 20 0 DHADLP Fc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1Cl ZINC000377717684 337059529 /nfs/dbraw/zinc/05/95/29/337059529.db2.gz DZUUMSQNQKJSEM-SECBINFHSA-N 2 2 314.191 3.503 20 0 DHADLP Fc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1Cl ZINC000377717684 337059530 /nfs/dbraw/zinc/05/95/30/337059530.db2.gz DZUUMSQNQKJSEM-SECBINFHSA-N 2 2 314.191 3.503 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1F ZINC000377756231 337060238 /nfs/dbraw/zinc/06/02/38/337060238.db2.gz PURGHICXNYEUCJ-GWCFXTLKSA-N 2 2 307.800 3.800 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Cl)c1F ZINC000377756231 337060239 /nfs/dbraw/zinc/06/02/39/337060239.db2.gz PURGHICXNYEUCJ-GWCFXTLKSA-N 2 2 307.800 3.800 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1F ZINC000377756233 337060268 /nfs/dbraw/zinc/06/02/68/337060268.db2.gz PURGHICXNYEUCJ-MFKMUULPSA-N 2 2 307.800 3.800 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Cl)c1F ZINC000377756233 337060269 /nfs/dbraw/zinc/06/02/69/337060269.db2.gz PURGHICXNYEUCJ-MFKMUULPSA-N 2 2 307.800 3.800 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2F)[C@@H]1c1ccccc1 ZINC000377763133 337060503 /nfs/dbraw/zinc/06/05/03/337060503.db2.gz QTHCXZFMUQYNKD-KXBFYZLASA-N 2 2 316.395 3.747 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2F)[C@@H]1c1ccccc1 ZINC000377763133 337060504 /nfs/dbraw/zinc/06/05/04/337060504.db2.gz QTHCXZFMUQYNKD-KXBFYZLASA-N 2 2 316.395 3.747 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)ccc2c1 ZINC000377798984 337061389 /nfs/dbraw/zinc/06/13/89/337061389.db2.gz PGPKAEYFIRTMOI-DYVFJYSZSA-N 2 2 321.424 3.780 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)ccc2c1 ZINC000377798984 337061390 /nfs/dbraw/zinc/06/13/90/337061390.db2.gz PGPKAEYFIRTMOI-DYVFJYSZSA-N 2 2 321.424 3.780 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000377890138 337063570 /nfs/dbraw/zinc/06/35/70/337063570.db2.gz SCDKDLLIAAQCGO-MRXNPFEDSA-N 2 2 307.397 3.670 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000377890138 337063571 /nfs/dbraw/zinc/06/35/71/337063571.db2.gz SCDKDLLIAAQCGO-MRXNPFEDSA-N 2 2 307.397 3.670 20 0 DHADLP Fc1ccc2c(NCc3cccnc3-n3cc[nH+]c3)cc[nH+]c2c1 ZINC000378041759 337065536 /nfs/dbraw/zinc/06/55/36/337065536.db2.gz GADXZJZRHGWVOY-UHFFFAOYSA-N 2 2 319.343 3.567 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC(C)CC2)CC1)c1nccs1 ZINC000378392248 337071603 /nfs/dbraw/zinc/07/16/03/337071603.db2.gz YRUOBBUDQJXIFY-NPCAHTBFSA-N 2 2 307.507 3.837 20 0 DHADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1F ZINC000378495734 337074345 /nfs/dbraw/zinc/07/43/45/337074345.db2.gz MIYASGOXKCXATF-QGZVFWFLSA-N 2 2 301.409 3.642 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(-n3cc[nH+]c3)c1)[C@@H](C)C2 ZINC000378498415 337074509 /nfs/dbraw/zinc/07/45/09/337074509.db2.gz RWDPEYZGAKDYOT-MGPUTAFESA-N 2 2 318.424 3.599 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cs1 ZINC000378513559 337074844 /nfs/dbraw/zinc/07/48/44/337074844.db2.gz BUIOZXWEFATREF-FDQGKXFDSA-N 2 2 315.486 3.795 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cs1 ZINC000378513559 337074845 /nfs/dbraw/zinc/07/48/45/337074845.db2.gz BUIOZXWEFATREF-FDQGKXFDSA-N 2 2 315.486 3.795 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3cc(Cl)ccc31)CCC2 ZINC000360078691 337085249 /nfs/dbraw/zinc/08/52/49/337085249.db2.gz KBGUENGNIYEYJL-PBHICJAKSA-N 2 2 315.848 3.999 20 0 DHADLP CC(C)c1nc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000172809409 337131192 /nfs/dbraw/zinc/13/11/92/337131192.db2.gz YDJJGKKZBZXDHT-GOSISDBHSA-N 2 2 324.472 3.558 20 0 DHADLP CC(C)c1nc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000172809409 337131193 /nfs/dbraw/zinc/13/11/93/337131193.db2.gz YDJJGKKZBZXDHT-GOSISDBHSA-N 2 2 324.472 3.558 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccncc1 ZINC000173966867 337137987 /nfs/dbraw/zinc/13/79/87/337137987.db2.gz AMWNBCJHWRRMKE-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000173865473 337138725 /nfs/dbraw/zinc/13/87/25/337138725.db2.gz ZDOGAHNORGOSHS-ZWKOTPCHSA-N 2 2 315.486 3.978 20 0 DHADLP CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000173865473 337138726 /nfs/dbraw/zinc/13/87/26/337138726.db2.gz ZDOGAHNORGOSHS-ZWKOTPCHSA-N 2 2 315.486 3.978 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)sc1C ZINC000176353944 337150924 /nfs/dbraw/zinc/15/09/24/337150924.db2.gz RQQFGLVIWWMLAJ-QGZVFWFLSA-N 2 2 321.534 3.848 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)sc1C ZINC000176353944 337150925 /nfs/dbraw/zinc/15/09/25/337150925.db2.gz RQQFGLVIWWMLAJ-QGZVFWFLSA-N 2 2 321.534 3.848 20 0 DHADLP CCn1cc[nH+]c1CNc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000176971260 337153878 /nfs/dbraw/zinc/15/38/78/337153878.db2.gz WIOBXYJIHRJJGU-OAHLLOKOSA-N 2 2 312.461 3.875 20 0 DHADLP CCn1cc[nH+]c1CNc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000176971260 337153879 /nfs/dbraw/zinc/15/38/79/337153879.db2.gz WIOBXYJIHRJJGU-OAHLLOKOSA-N 2 2 312.461 3.875 20 0 DHADLP C[C@H]([NH2+]CCOc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180677082 337177274 /nfs/dbraw/zinc/17/72/74/337177274.db2.gz LAVSXILTLJIWLH-INIZCTEOSA-N 2 2 307.397 3.602 20 0 DHADLP C[C@@H]1C[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC[N@@H+]1C ZINC000182883737 337190588 /nfs/dbraw/zinc/19/05/88/337190588.db2.gz DMOWVSQAZGPVQQ-CRAIPNDOSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@@H]1C[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC[N@H+]1C ZINC000182883737 337190589 /nfs/dbraw/zinc/19/05/89/337190589.db2.gz DMOWVSQAZGPVQQ-CRAIPNDOSA-N 2 2 324.472 3.781 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183983894 337194364 /nfs/dbraw/zinc/19/43/64/337194364.db2.gz QESNHFAHXTZBSC-OAHLLOKOSA-N 2 2 319.399 3.812 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183983894 337194365 /nfs/dbraw/zinc/19/43/65/337194365.db2.gz QESNHFAHXTZBSC-OAHLLOKOSA-N 2 2 319.399 3.812 20 0 DHADLP Cc1cncc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000184300776 337197638 /nfs/dbraw/zinc/19/76/38/337197638.db2.gz MACVWVJAMDTVAZ-AWEZNQCLSA-N 2 2 310.376 3.566 20 0 DHADLP C[C@@H](c1ccsc1)[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000185479816 337205789 /nfs/dbraw/zinc/20/57/89/337205789.db2.gz VSEJHXMAFAXNKO-LBPRGKRZSA-N 2 2 307.850 3.680 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1sccc1Br ZINC000582839289 337207531 /nfs/dbraw/zinc/20/75/31/337207531.db2.gz OUOXVQINZXESHU-ZJUUUORDSA-N 2 2 305.285 3.679 20 0 DHADLP CC(C)CSCCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000582978629 337222341 /nfs/dbraw/zinc/22/23/41/337222341.db2.gz OAYIDMQMVZJPPV-ZWKOTPCHSA-N 2 2 306.519 3.801 20 0 DHADLP CC(C)CSCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000582978629 337222342 /nfs/dbraw/zinc/22/23/42/337222342.db2.gz OAYIDMQMVZJPPV-ZWKOTPCHSA-N 2 2 306.519 3.801 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000583172034 337252084 /nfs/dbraw/zinc/25/20/84/337252084.db2.gz QQJGKROWNJJTBK-HXUWFJFHSA-N 3 2 315.505 3.709 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000583172034 337252085 /nfs/dbraw/zinc/25/20/85/337252085.db2.gz QQJGKROWNJJTBK-HXUWFJFHSA-N 3 2 315.505 3.709 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000392552327 337262312 /nfs/dbraw/zinc/26/23/12/337262312.db2.gz YLETZIQURIAKJC-OZOXKJRCSA-N 2 2 324.468 3.857 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000392552327 337262313 /nfs/dbraw/zinc/26/23/13/337262313.db2.gz YLETZIQURIAKJC-OZOXKJRCSA-N 2 2 324.468 3.857 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)C1CCSCC1)[N@H+](C)Cc1ccccc1 ZINC000187191062 337263703 /nfs/dbraw/zinc/26/37/03/337263703.db2.gz AGLZUJPHLTXZCK-CVEARBPZSA-N 2 2 306.519 3.628 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)C1CCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000187191062 337263704 /nfs/dbraw/zinc/26/37/04/337263704.db2.gz AGLZUJPHLTXZCK-CVEARBPZSA-N 2 2 306.519 3.628 20 0 DHADLP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000188027017 337270178 /nfs/dbraw/zinc/27/01/78/337270178.db2.gz MGNLLJIQRXDSGT-FUHWJXTLSA-N 2 2 301.478 3.604 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H]3CCOc4c(C)cccc43)c[nH+]c12 ZINC000188948257 337276872 /nfs/dbraw/zinc/27/68/72/337276872.db2.gz KGCNMEGRHVJURI-KRWDZBQOSA-N 2 2 307.397 3.565 20 0 DHADLP c1ccc(C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000321644159 337281119 /nfs/dbraw/zinc/28/11/19/337281119.db2.gz WUUXIQOSNUPDBQ-TZIWHRDSSA-N 2 2 306.453 3.797 20 0 DHADLP c1ccc(C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000321644159 337281120 /nfs/dbraw/zinc/28/11/20/337281120.db2.gz WUUXIQOSNUPDBQ-TZIWHRDSSA-N 2 2 306.453 3.797 20 0 DHADLP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1nc(C(F)(F)F)cs1 ZINC000189932758 337283899 /nfs/dbraw/zinc/28/38/99/337283899.db2.gz OYOODNGVOPRLCB-LLVKDONJSA-N 2 2 323.428 3.935 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000192135364 337303160 /nfs/dbraw/zinc/30/31/60/337303160.db2.gz SEUMHILRXFSEPK-INIZCTEOSA-N 2 2 306.413 3.769 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000192135364 337303161 /nfs/dbraw/zinc/30/31/61/337303161.db2.gz SEUMHILRXFSEPK-INIZCTEOSA-N 2 2 306.413 3.769 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290379 337307290 /nfs/dbraw/zinc/30/72/90/337307290.db2.gz UDZHZPZCPDVQAM-RHSMWYFYSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290379 337307291 /nfs/dbraw/zinc/30/72/91/337307291.db2.gz UDZHZPZCPDVQAM-RHSMWYFYSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290379 337307292 /nfs/dbraw/zinc/30/72/92/337307292.db2.gz UDZHZPZCPDVQAM-RHSMWYFYSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290379 337307293 /nfs/dbraw/zinc/30/72/93/337307293.db2.gz UDZHZPZCPDVQAM-RHSMWYFYSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1sccc1Br ZINC000037197243 337362025 /nfs/dbraw/zinc/36/20/25/337362025.db2.gz OZUCZINRXXGSAL-SNVBAGLBSA-N 2 2 319.312 3.749 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccnc1 ZINC000112532263 337390623 /nfs/dbraw/zinc/39/06/23/337390623.db2.gz VWMNSPAPCTZCFW-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCO2 ZINC000119647107 337394878 /nfs/dbraw/zinc/39/48/78/337394878.db2.gz YXIWHEQMBPXMLC-KRWDZBQOSA-N 2 2 320.864 3.770 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCCO2 ZINC000130623640 337433814 /nfs/dbraw/zinc/43/38/14/337433814.db2.gz MELCPDMOWAJNHZ-SFHVURJKSA-N 2 2 321.424 3.689 20 0 DHADLP COC[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CCCC1 ZINC000527101101 337470028 /nfs/dbraw/zinc/47/00/28/337470028.db2.gz ANBIEUKVKIWHPZ-VQIMIIECSA-N 2 2 318.505 3.911 20 0 DHADLP CCn1c[nH+]cc1CNc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000419738756 337491830 /nfs/dbraw/zinc/49/18/30/337491830.db2.gz JDVYHCUYCBDGPB-UHFFFAOYSA-N 2 2 309.417 3.591 20 0 DHADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1nc(-c2ccccc2Cl)cs1 ZINC000420358394 337499741 /nfs/dbraw/zinc/49/97/41/337499741.db2.gz IPMPFKRIIFYIMJ-AWEZNQCLSA-N 2 2 323.893 3.927 20 0 DHADLP COC1([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000421840327 337653250 /nfs/dbraw/zinc/65/32/50/337653250.db2.gz YSBUXQWNGXLFQP-INIZCTEOSA-N 2 2 313.445 3.700 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1OC1CCCC1)c1c[nH+]ccc1N ZINC000422697937 337683495 /nfs/dbraw/zinc/68/34/95/337683495.db2.gz WXXWIHCWMGIIQD-AWEZNQCLSA-N 2 2 311.429 3.666 20 0 DHADLP CC(C)COc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422730748 337684448 /nfs/dbraw/zinc/68/44/48/337684448.db2.gz FPYCFCNDRFTOBM-OALUTQOASA-N 2 2 310.441 3.956 20 0 DHADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422744657 337686694 /nfs/dbraw/zinc/68/66/94/337686694.db2.gz UCCUUKGNPLIRAV-KBPBESRZSA-N 2 2 309.523 3.841 20 0 DHADLP COc1ccc(-c2csc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422816548 337687774 /nfs/dbraw/zinc/68/77/74/337687774.db2.gz ARKLEQJJYPSBQX-SCLBCKFNSA-N 2 2 316.470 3.654 20 0 DHADLP COc1ccccc1[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422958755 337694901 /nfs/dbraw/zinc/69/49/01/337694901.db2.gz PUJQCTAOXOEWSX-PGGWPXBNSA-N 2 2 322.452 3.657 20 0 DHADLP CCOc1ccc([C@H]([NH2+]CCC[NH3+])c2ccccc2Cl)cc1 ZINC000423194793 337703380 /nfs/dbraw/zinc/70/33/80/337703380.db2.gz RQEMPMKJUZGXDD-SFHVURJKSA-N 2 2 318.848 3.767 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423242006 337706839 /nfs/dbraw/zinc/70/68/39/337706839.db2.gz DTQAAJIOKIDKGE-ACJLOTCBSA-N 2 2 304.384 3.576 20 0 DHADLP CC(C)[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(F)cn1 ZINC000423265047 337708255 /nfs/dbraw/zinc/70/82/55/337708255.db2.gz APWXNBWDFKXVFG-GOSISDBHSA-N 2 2 307.457 3.820 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000423301456 337711225 /nfs/dbraw/zinc/71/12/25/337711225.db2.gz SZMPRPGZFSLDJM-PKOBYXMFSA-N 2 2 315.436 3.726 20 0 DHADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423315544 337711580 /nfs/dbraw/zinc/71/15/80/337711580.db2.gz XONNWFLAAPSPPV-GFCCVEGCSA-N 2 2 302.434 3.694 20 0 DHADLP [NH3+]C1(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CCC1 ZINC000423318924 337711861 /nfs/dbraw/zinc/71/18/61/337711861.db2.gz FBLLLSJXAQFVRR-GFCCVEGCSA-N 2 2 315.244 3.678 20 0 DHADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423438731 337719237 /nfs/dbraw/zinc/71/92/37/337719237.db2.gz HFCZULXDRJLJJR-UTUOFQBUSA-N 2 2 308.372 3.828 20 0 DHADLP C[C@@H]([NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1)[C@H](C)[NH3+] ZINC000423452714 337720170 /nfs/dbraw/zinc/72/01/70/337720170.db2.gz WSCPGBFCFUMFNU-LRDNONRASA-N 2 2 323.415 3.789 20 0 DHADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527629767 337752983 /nfs/dbraw/zinc/75/29/83/337752983.db2.gz QQXPCPYECXXCOU-HJWJTTGWSA-N 2 2 304.503 3.909 20 0 DHADLP CCCc1csc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000426422613 338031845 /nfs/dbraw/zinc/03/18/45/338031845.db2.gz VSFTYBAKAIREOP-RHSMWYFYSA-N 2 2 319.518 3.544 20 0 DHADLP CCCc1csc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000426422613 338031846 /nfs/dbraw/zinc/03/18/46/338031846.db2.gz VSFTYBAKAIREOP-RHSMWYFYSA-N 2 2 319.518 3.544 20 0 DHADLP CCCc1csc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000426422613 338031847 /nfs/dbraw/zinc/03/18/47/338031847.db2.gz VSFTYBAKAIREOP-RHSMWYFYSA-N 2 2 319.518 3.544 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000428282695 338045356 /nfs/dbraw/zinc/04/53/56/338045356.db2.gz XWNCUNOTCAEEMC-OAQYLSRUSA-N 2 2 324.468 3.656 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000428282695 338045357 /nfs/dbraw/zinc/04/53/57/338045357.db2.gz XWNCUNOTCAEEMC-OAQYLSRUSA-N 2 2 324.468 3.656 20 0 DHADLP CCc1nc(C)c(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000428367020 338049077 /nfs/dbraw/zinc/04/90/77/338049077.db2.gz ZMEILKVUVUQCSQ-CYBMUJFWSA-N 2 2 310.401 3.582 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(C2CC2)cs1 ZINC000429234661 338074205 /nfs/dbraw/zinc/07/42/05/338074205.db2.gz HBXYCPADPACCOG-UHFFFAOYSA-N 2 2 318.490 3.692 20 0 DHADLP CCc1ccc([C@@H](C[NH2+][C@H](C)CC2(OC)CCC2)[NH+](C)C)cc1 ZINC000429369989 338078850 /nfs/dbraw/zinc/07/88/50/338078850.db2.gz ZRGUEZQYMCFKCN-VQIMIIECSA-N 2 2 318.505 3.789 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000429525173 338082921 /nfs/dbraw/zinc/08/29/21/338082921.db2.gz AKDVQHVGQOVDHK-JENIJYKNSA-N 2 2 316.489 3.759 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000429525173 338082922 /nfs/dbraw/zinc/08/29/22/338082922.db2.gz AKDVQHVGQOVDHK-JENIJYKNSA-N 2 2 316.489 3.759 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000430040765 338094355 /nfs/dbraw/zinc/09/43/55/338094355.db2.gz JZGFMGRFZGXMLP-VYDXJSESSA-N 2 2 308.416 3.847 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000430040765 338094356 /nfs/dbraw/zinc/09/43/56/338094356.db2.gz JZGFMGRFZGXMLP-VYDXJSESSA-N 2 2 308.416 3.847 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000430092268 338095973 /nfs/dbraw/zinc/09/59/73/338095973.db2.gz YMXWNBCEROTPDH-WMLDXEAASA-N 2 2 308.416 3.532 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000430092268 338095974 /nfs/dbraw/zinc/09/59/74/338095974.db2.gz YMXWNBCEROTPDH-WMLDXEAASA-N 2 2 308.416 3.532 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)n1-c1ccccc1 ZINC000430110912 338097427 /nfs/dbraw/zinc/09/74/27/338097427.db2.gz LVOCCZODQZWJPT-SJORKVTESA-N 2 2 317.383 3.658 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)n1-c1ccccc1 ZINC000430110912 338097428 /nfs/dbraw/zinc/09/74/28/338097428.db2.gz LVOCCZODQZWJPT-SJORKVTESA-N 2 2 317.383 3.658 20 0 DHADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000430123704 338097968 /nfs/dbraw/zinc/09/79/68/338097968.db2.gz JZLADSBHTNYBET-FQEVSTJZSA-N 2 2 314.473 3.536 20 0 DHADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000430123704 338097969 /nfs/dbraw/zinc/09/79/69/338097969.db2.gz JZLADSBHTNYBET-FQEVSTJZSA-N 2 2 314.473 3.536 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000430123704 338097970 /nfs/dbraw/zinc/09/79/70/338097970.db2.gz JZLADSBHTNYBET-FQEVSTJZSA-N 2 2 314.473 3.536 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3OC3CCCC3)C2)C1 ZINC000430123704 338097971 /nfs/dbraw/zinc/09/79/71/338097971.db2.gz JZLADSBHTNYBET-FQEVSTJZSA-N 2 2 314.473 3.536 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000430225080 338102213 /nfs/dbraw/zinc/10/22/13/338102213.db2.gz IUVFTEUWTRMJCW-OXJNMPFZSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000430225080 338102214 /nfs/dbraw/zinc/10/22/14/338102214.db2.gz IUVFTEUWTRMJCW-OXJNMPFZSA-N 2 2 309.457 3.845 20 0 DHADLP CCc1ccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C3CC3)cs2)cc1 ZINC000430590652 338109450 /nfs/dbraw/zinc/10/94/50/338109450.db2.gz LNVGXAXCNGLVQX-SFHVURJKSA-N 2 2 315.486 3.590 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000430617253 338109830 /nfs/dbraw/zinc/10/98/30/338109830.db2.gz LAWWHOAOYXSPHX-SJCJKPOMSA-N 2 2 319.836 3.697 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000430617253 338109831 /nfs/dbraw/zinc/10/98/31/338109831.db2.gz LAWWHOAOYXSPHX-SJCJKPOMSA-N 2 2 319.836 3.697 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000430642208 338110317 /nfs/dbraw/zinc/11/03/17/338110317.db2.gz ODTCFXTYNDJHAI-CRAIPNDOSA-N 2 2 311.429 3.576 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000430642208 338110318 /nfs/dbraw/zinc/11/03/18/338110318.db2.gz ODTCFXTYNDJHAI-CRAIPNDOSA-N 2 2 311.429 3.576 20 0 DHADLP c1ccc(CSCC[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000430756825 338113909 /nfs/dbraw/zinc/11/39/09/338113909.db2.gz MZXHBIZZFYOHHX-SFHVURJKSA-N 2 2 304.503 3.526 20 0 DHADLP c1ccc(CSCC[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000430756825 338113910 /nfs/dbraw/zinc/11/39/10/338113910.db2.gz MZXHBIZZFYOHHX-SFHVURJKSA-N 2 2 304.503 3.526 20 0 DHADLP c1ccc(CSCC[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000430756823 338114038 /nfs/dbraw/zinc/11/40/38/338114038.db2.gz MZXHBIZZFYOHHX-GOSISDBHSA-N 2 2 304.503 3.526 20 0 DHADLP c1ccc(CSCC[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000430756823 338114039 /nfs/dbraw/zinc/11/40/39/338114039.db2.gz MZXHBIZZFYOHHX-GOSISDBHSA-N 2 2 304.503 3.526 20 0 DHADLP CCC[N@H+](Cc1csc(C2CCCC2)n1)C1CC[NH2+]CC1 ZINC000431066151 338121611 /nfs/dbraw/zinc/12/16/11/338121611.db2.gz MBUSCPBIABYJSZ-UHFFFAOYSA-N 2 2 307.507 3.765 20 0 DHADLP CCC[N@@H+](Cc1csc(C2CCCC2)n1)C1CC[NH2+]CC1 ZINC000431066151 338121612 /nfs/dbraw/zinc/12/16/12/338121612.db2.gz MBUSCPBIABYJSZ-UHFFFAOYSA-N 2 2 307.507 3.765 20 0 DHADLP CCC[N@H+](Cc1nc(-c2ccccc2)oc1C)C1CC[NH2+]CC1 ZINC000431067196 338121659 /nfs/dbraw/zinc/12/16/59/338121659.db2.gz PKLSDBFXAVHRSQ-UHFFFAOYSA-N 2 2 313.445 3.614 20 0 DHADLP CCC[N@@H+](Cc1nc(-c2ccccc2)oc1C)C1CC[NH2+]CC1 ZINC000431067196 338121660 /nfs/dbraw/zinc/12/16/60/338121660.db2.gz PKLSDBFXAVHRSQ-UHFFFAOYSA-N 2 2 313.445 3.614 20 0 DHADLP c1ccc(C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000162836015 338137581 /nfs/dbraw/zinc/13/75/81/338137581.db2.gz LUMPWSKOYBVKCX-IBGZPJMESA-N 2 2 309.457 3.885 20 0 DHADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432236016 338149718 /nfs/dbraw/zinc/14/97/18/338149718.db2.gz OTEGNAMFVOOFGP-UHFFFAOYSA-N 2 2 307.240 3.810 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2cc(F)c(Cl)cc2F)CC1 ZINC000433080434 338180735 /nfs/dbraw/zinc/18/07/35/338180735.db2.gz BOVWGDBNEWPWKQ-UHFFFAOYSA-N 2 2 302.796 3.582 20 0 DHADLP COc1c(C)c[nH+]c(CN(C)c2cc[nH+]c3ccsc32)c1C ZINC000433775662 338201355 /nfs/dbraw/zinc/20/13/55/338201355.db2.gz SEHNUJANOSBPAV-UHFFFAOYSA-N 2 2 313.426 3.953 20 0 DHADLP [NH3+]C1CC[NH+](Cc2nc(-c3ccc4ccccc4c3)cs2)CC1 ZINC000434663624 338222698 /nfs/dbraw/zinc/22/26/98/338222698.db2.gz QHILKCYVYXIZDZ-UHFFFAOYSA-N 2 2 323.465 3.886 20 0 DHADLP C[C@@H](C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434746614 338224730 /nfs/dbraw/zinc/22/47/30/338224730.db2.gz NZQQJOHMCVOORG-YYWHXJBOSA-N 2 2 323.484 3.810 20 0 DHADLP C[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434746614 338224731 /nfs/dbraw/zinc/22/47/31/338224731.db2.gz NZQQJOHMCVOORG-YYWHXJBOSA-N 2 2 323.484 3.810 20 0 DHADLP C[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434746614 338224732 /nfs/dbraw/zinc/22/47/32/338224732.db2.gz NZQQJOHMCVOORG-YYWHXJBOSA-N 2 2 323.484 3.810 20 0 DHADLP C[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000434746614 338224733 /nfs/dbraw/zinc/22/47/33/338224733.db2.gz NZQQJOHMCVOORG-YYWHXJBOSA-N 2 2 323.484 3.810 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434790046 338225679 /nfs/dbraw/zinc/22/56/79/338225679.db2.gz QCOIKRWHVFDAAX-UMVBOHGHSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434790046 338225680 /nfs/dbraw/zinc/22/56/80/338225680.db2.gz QCOIKRWHVFDAAX-UMVBOHGHSA-N 2 2 304.400 3.714 20 0 DHADLP Cc1ccc(SCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000434993835 338229136 /nfs/dbraw/zinc/22/91/36/338229136.db2.gz DKGLWNGQWYBRMC-UHFFFAOYSA-N 2 2 315.486 3.998 20 0 DHADLP c1[nH]cc(C2CC[NH+](CCOc3ccc4ccccc4c3)CC2)[nH+]1 ZINC000434994020 338229180 /nfs/dbraw/zinc/22/91/80/338229180.db2.gz GHAFWEJLLYFAPE-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP Cc1ccc([C@]2(C)CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000435033874 338230232 /nfs/dbraw/zinc/23/02/32/338230232.db2.gz BMELGCQZYFZOFK-HXUWFJFHSA-N 2 2 305.425 3.806 20 0 DHADLP Cc1ccc([C@]2(C)CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000435033874 338230233 /nfs/dbraw/zinc/23/02/33/338230233.db2.gz BMELGCQZYFZOFK-HXUWFJFHSA-N 2 2 305.425 3.806 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[N@@H+]1C1CC1 ZINC000435790163 338249435 /nfs/dbraw/zinc/24/94/35/338249435.db2.gz HZWAQCXWQMLMIB-ZFZWDLNGSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[N@H+]1C1CC1 ZINC000435790163 338249436 /nfs/dbraw/zinc/24/94/36/338249436.db2.gz HZWAQCXWQMLMIB-ZFZWDLNGSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436309765 338268388 /nfs/dbraw/zinc/26/83/88/338268388.db2.gz PRWUDVGIYMQENP-GKEYINFOSA-N 2 2 304.865 3.658 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436309765 338268389 /nfs/dbraw/zinc/26/83/89/338268389.db2.gz PRWUDVGIYMQENP-GKEYINFOSA-N 2 2 304.865 3.658 20 0 DHADLP C[C@H](CCc1ccc(Cl)s1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437098113 338300796 /nfs/dbraw/zinc/30/07/96/338300796.db2.gz PLSOXUNUCDJFQM-GFCCVEGCSA-N 2 2 300.899 3.797 20 0 DHADLP Cc1cc2[nH+]cn(Cc3c[nH+]cn3Cc3ccccc3)c2cc1C ZINC000437628745 338316627 /nfs/dbraw/zinc/31/66/27/338316627.db2.gz WRSIPWVAGJIFIU-UHFFFAOYSA-N 2 2 316.408 3.946 20 0 DHADLP C[C@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000437800298 338322003 /nfs/dbraw/zinc/32/20/03/338322003.db2.gz XCSYLIMWJBXGBH-HZPDHXFCSA-N 2 2 315.436 3.617 20 0 DHADLP C[C@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000437800298 338322004 /nfs/dbraw/zinc/32/20/04/338322004.db2.gz XCSYLIMWJBXGBH-HZPDHXFCSA-N 2 2 315.436 3.617 20 0 DHADLP Fc1cccc2[nH]c(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc21 ZINC000438130715 338333871 /nfs/dbraw/zinc/33/38/71/338333871.db2.gz VBZVUXZYMFXMIU-OAHLLOKOSA-N 2 2 315.436 3.615 20 0 DHADLP Fc1cccc2[nH]c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc21 ZINC000438130715 338333872 /nfs/dbraw/zinc/33/38/72/338333872.db2.gz VBZVUXZYMFXMIU-OAHLLOKOSA-N 2 2 315.436 3.615 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449223349 338603879 /nfs/dbraw/zinc/60/38/79/338603879.db2.gz YAHYSAGBKDNKGH-AWEZNQCLSA-N 2 2 312.379 3.555 20 0 DHADLP COc1cccc([C@H]2C[C@H]([NH2+]Cc3c[nH+]c4c(C)cccn34)C2)c1 ZINC000449616950 338641552 /nfs/dbraw/zinc/64/15/52/338641552.db2.gz FRFBFJUDDDPCBR-QAQDUYKDSA-N 2 2 321.424 3.687 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCO[C@H](c2cccs2)C1 ZINC000449626310 338642628 /nfs/dbraw/zinc/64/26/28/338642628.db2.gz PNUFXRKEAYABNP-SJORKVTESA-N 2 2 316.470 3.894 20 0 DHADLP CC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccncc1 ZINC000453060547 338788757 /nfs/dbraw/zinc/78/87/57/338788757.db2.gz RNCCYYLTRJFPIZ-PMACEKPBSA-N 2 2 309.457 3.959 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000459375389 339025598 /nfs/dbraw/zinc/02/55/98/339025598.db2.gz MUEXUJHOGTXTAF-HNNXBMFYSA-N 2 2 313.445 3.647 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000459375389 339025599 /nfs/dbraw/zinc/02/55/99/339025599.db2.gz MUEXUJHOGTXTAF-HNNXBMFYSA-N 2 2 313.445 3.647 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)no1 ZINC000459381197 339025984 /nfs/dbraw/zinc/02/59/84/339025984.db2.gz URCJSHMFCIBMLH-HNNXBMFYSA-N 2 2 313.445 3.647 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)no1 ZINC000459381197 339025985 /nfs/dbraw/zinc/02/59/85/339025985.db2.gz URCJSHMFCIBMLH-HNNXBMFYSA-N 2 2 313.445 3.647 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000459412643 339027804 /nfs/dbraw/zinc/02/78/04/339027804.db2.gz PSTMFDFGUZCQAS-QWGSZXSUSA-N 2 2 315.486 3.982 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000459412643 339027805 /nfs/dbraw/zinc/02/78/05/339027805.db2.gz PSTMFDFGUZCQAS-QWGSZXSUSA-N 2 2 315.486 3.982 20 0 DHADLP Cn1c[nH+]cc1CC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000459455135 339030162 /nfs/dbraw/zinc/03/01/62/339030162.db2.gz CNTFDGWKBYUJEZ-GOSISDBHSA-N 2 2 319.399 3.525 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000459662147 339041418 /nfs/dbraw/zinc/04/14/18/339041418.db2.gz NOTSSRAGJHGVSU-GDBMZVCRSA-N 2 2 303.837 3.542 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)[NH+](C)C)cc1 ZINC000462884772 339096244 /nfs/dbraw/zinc/09/62/44/339096244.db2.gz ACGFJXFGLWKCCV-WOJBJXKFSA-N 2 2 324.468 3.971 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2OCC(C)C)C1 ZINC000464771958 339152343 /nfs/dbraw/zinc/15/23/43/339152343.db2.gz DJSFFVFZVDVJIU-GOSISDBHSA-N 2 2 318.505 3.885 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2OCC(C)C)C1 ZINC000464771958 339152344 /nfs/dbraw/zinc/15/23/44/339152344.db2.gz DJSFFVFZVDVJIU-GOSISDBHSA-N 2 2 318.505 3.885 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000467382802 339235786 /nfs/dbraw/zinc/23/57/86/339235786.db2.gz QYSXBIPRQLLHIE-MLGOLLRUSA-N 2 2 314.395 3.566 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468521041 339265239 /nfs/dbraw/zinc/26/52/39/339265239.db2.gz DATPIGKMOPUTNR-IIAWOOMASA-N 2 2 314.395 3.828 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468521041 339265240 /nfs/dbraw/zinc/26/52/40/339265240.db2.gz DATPIGKMOPUTNR-IIAWOOMASA-N 2 2 314.395 3.828 20 0 DHADLP Fc1cccc(F)c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000469880444 339303708 /nfs/dbraw/zinc/30/37/08/339303708.db2.gz QRINCZARYXQENT-AWEZNQCLSA-N 2 2 308.416 3.709 20 0 DHADLP Fc1cccc(F)c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000469880444 339303709 /nfs/dbraw/zinc/30/37/09/339303709.db2.gz QRINCZARYXQENT-AWEZNQCLSA-N 2 2 308.416 3.709 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000469985307 339306827 /nfs/dbraw/zinc/30/68/27/339306827.db2.gz YZSRPASXVFTOLF-CYBMUJFWSA-N 2 2 303.475 3.849 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000469985307 339306828 /nfs/dbraw/zinc/30/68/28/339306828.db2.gz YZSRPASXVFTOLF-CYBMUJFWSA-N 2 2 303.475 3.849 20 0 DHADLP C[NH2+]C[C@H]1CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000470021387 339308779 /nfs/dbraw/zinc/30/87/79/339308779.db2.gz VIJWOZUKTLWGAK-GFCCVEGCSA-N 2 2 321.877 3.505 20 0 DHADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000470021387 339308780 /nfs/dbraw/zinc/30/87/80/339308780.db2.gz VIJWOZUKTLWGAK-GFCCVEGCSA-N 2 2 321.877 3.505 20 0 DHADLP CC(C)COc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000470021553 339308924 /nfs/dbraw/zinc/30/89/24/339308924.db2.gz YGRNBSPQRFAAFR-UHFFFAOYSA-N 2 2 316.489 3.685 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)CC1CCOCC1 ZINC000472039943 339360021 /nfs/dbraw/zinc/36/00/21/339360021.db2.gz ZYZNKXMXMVTSSX-ZWOKBUDYSA-N 2 2 318.505 3.720 20 0 DHADLP COc1ccccc1/C=C\C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000472039312 339360031 /nfs/dbraw/zinc/36/00/31/339360031.db2.gz WMRXUDQQCGMWFV-PYPVROSNSA-N 2 2 324.468 3.989 20 0 DHADLP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000472054861 339361203 /nfs/dbraw/zinc/36/12/03/339361203.db2.gz SYNMRWNPLHXYBG-BEFAXECRSA-N 2 2 300.421 3.915 20 0 DHADLP COc1ccc(C)cc1C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000472057583 339361405 /nfs/dbraw/zinc/36/14/05/339361405.db2.gz KNCIRPGBMJKIJL-OXQOHEQNSA-N 2 2 312.457 3.785 20 0 DHADLP CCOc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000472080325 339363029 /nfs/dbraw/zinc/36/30/29/339363029.db2.gz NNNLAKBYOZJILN-OXJNMPFZSA-N 2 2 312.457 3.866 20 0 DHADLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000474031130 339397815 /nfs/dbraw/zinc/39/78/15/339397815.db2.gz GZSYEPBLOPWPRA-YJBOKZPZSA-N 2 2 324.459 3.963 20 0 DHADLP CCc1cccc(Cl)c1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000474345343 339410374 /nfs/dbraw/zinc/41/03/74/339410374.db2.gz GMAVDAVNZTYPMJ-UHFFFAOYSA-N 2 2 313.832 3.882 20 0 DHADLP COC[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1)C(C)C ZINC000479877703 339552372 /nfs/dbraw/zinc/55/23/72/339552372.db2.gz YQKNZBPLBQGLJQ-IAGOWNOFSA-N 2 2 324.534 3.782 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCCCC(F)(F)C3)n2c1 ZINC000491593459 339868275 /nfs/dbraw/zinc/86/82/75/339868275.db2.gz GIADMBZDSKTBGM-CQSZACIVSA-N 2 2 307.388 3.948 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000494934348 339965631 /nfs/dbraw/zinc/96/56/31/339965631.db2.gz VBWFAOAMBBSSEN-UHFFFAOYSA-N 2 2 319.836 3.841 20 0 DHADLP CC(C)OC[C@H](C)[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000500445672 340058874 /nfs/dbraw/zinc/05/88/74/340058874.db2.gz JFKHHUNHTXSSMC-PKOBYXMFSA-N 2 2 306.494 3.546 20 0 DHADLP CC(C)OC[C@H](C)[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000500445672 340058875 /nfs/dbraw/zinc/05/88/75/340058875.db2.gz JFKHHUNHTXSSMC-PKOBYXMFSA-N 2 2 306.494 3.546 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000502722346 340112240 /nfs/dbraw/zinc/11/22/40/340112240.db2.gz NOGJYGPQUAQFTK-NEWSRXKRSA-N 2 2 318.505 3.911 20 0 DHADLP Cc1ccccc1[C@]1(F)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000502901577 340116114 /nfs/dbraw/zinc/11/61/14/340116114.db2.gz AZKVNNKHOQUCAY-IBGZPJMESA-N 2 2 304.453 3.742 20 0 DHADLP Cc1ccccc1[C@]1(F)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000502901577 340116115 /nfs/dbraw/zinc/11/61/15/340116115.db2.gz AZKVNNKHOQUCAY-IBGZPJMESA-N 2 2 304.453 3.742 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000503546652 340130110 /nfs/dbraw/zinc/13/01/10/340130110.db2.gz LSELEWJUEPAITM-YWZLYKJASA-N 2 2 312.432 3.923 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000503546652 340130111 /nfs/dbraw/zinc/13/01/11/340130111.db2.gz LSELEWJUEPAITM-YWZLYKJASA-N 2 2 312.432 3.923 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H](C)Cc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000510330886 340296219 /nfs/dbraw/zinc/29/62/19/340296219.db2.gz HZHWXEJLALEUMM-UZLBHIALSA-N 2 2 312.457 3.524 20 0 DHADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H]3C3CCC3)CC2)cc1 ZINC000510675548 340306063 /nfs/dbraw/zinc/30/60/63/340306063.db2.gz OUWJVBUQUKNJOJ-PMACEKPBSA-N 2 2 316.464 3.958 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000510716690 340307857 /nfs/dbraw/zinc/30/78/57/340307857.db2.gz HHHREVNYBNTLQV-RDBSUJKOSA-N 2 2 308.416 3.501 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000510716690 340307858 /nfs/dbraw/zinc/30/78/58/340307858.db2.gz HHHREVNYBNTLQV-RDBSUJKOSA-N 2 2 308.416 3.501 20 0 DHADLP COCC[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000510960635 340316313 /nfs/dbraw/zinc/31/63/13/340316313.db2.gz RRYAYOROKZCMHZ-OALUTQOASA-N 2 2 318.505 3.692 20 0 DHADLP COCC[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000510960635 340316314 /nfs/dbraw/zinc/31/63/14/340316314.db2.gz RRYAYOROKZCMHZ-OALUTQOASA-N 2 2 318.505 3.692 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(C)(C)C ZINC000510979610 340316935 /nfs/dbraw/zinc/31/69/35/340316935.db2.gz VTMQAKSCQSUXAG-UHOSZYNNSA-N 2 2 318.505 3.863 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(C)(C)C ZINC000510979610 340316936 /nfs/dbraw/zinc/31/69/36/340316936.db2.gz VTMQAKSCQSUXAG-UHOSZYNNSA-N 2 2 318.505 3.863 20 0 DHADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000511585380 340331421 /nfs/dbraw/zinc/33/14/21/340331421.db2.gz BJAFDWCQGVULFJ-FAYHIZQSSA-N 2 2 306.881 3.904 20 0 DHADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000511585380 340331422 /nfs/dbraw/zinc/33/14/22/340331422.db2.gz BJAFDWCQGVULFJ-FAYHIZQSSA-N 2 2 306.881 3.904 20 0 DHADLP CCc1ccc(C(C)(C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000512009595 340345279 /nfs/dbraw/zinc/34/52/79/340345279.db2.gz PYFBCFIYAVYAJQ-UHFFFAOYSA-N 2 2 317.502 3.792 20 0 DHADLP C[NH+](C)C1(CN[C@H](c2[nH]cc[nH+]2)C2CCCCC2)CCCCC1 ZINC000513755419 340423566 /nfs/dbraw/zinc/42/35/66/340423566.db2.gz SNWKGFRTGLKUIV-KRWDZBQOSA-N 2 2 318.509 3.885 20 0 DHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000193970791 340587020 /nfs/dbraw/zinc/58/70/20/340587020.db2.gz QZNDIGAHHMYCFZ-CYBMUJFWSA-N 2 2 311.351 3.513 20 0 DHADLP FC(F)(F)c1sccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000529526425 340759236 /nfs/dbraw/zinc/75/92/36/340759236.db2.gz UYMCFHYUFQSZBY-UHFFFAOYSA-N 2 2 315.364 3.801 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1OC ZINC000530219638 340782877 /nfs/dbraw/zinc/78/28/77/340782877.db2.gz MESTWQBWSCHZIT-HOCLYGCPSA-N 2 2 308.853 3.674 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(-c2ccncc2)c1 ZINC000530223494 340783065 /nfs/dbraw/zinc/78/30/65/340783065.db2.gz SQKYLRJGCNWDPJ-BEFAXECRSA-N 2 2 307.441 3.684 20 0 DHADLP CCCC[C@@H](CC)CC[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538851000 340857853 /nfs/dbraw/zinc/85/78/53/340857853.db2.gz ONRPXLSATSNKPR-GOSISDBHSA-N 3 2 323.569 3.741 20 0 DHADLP CC(C)(C)OCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000540725264 340943423 /nfs/dbraw/zinc/94/34/23/340943423.db2.gz VGQOMUUGLXVIRL-UHFFFAOYSA-N 2 2 324.896 3.709 20 0 DHADLP CCC[C@H](CC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540788796 340946040 /nfs/dbraw/zinc/94/60/40/340946040.db2.gz GMSRSJJXBOEUJA-HNNXBMFYSA-N 2 2 304.482 3.603 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)[C@@H]2CCCO2)CCCC1)c1ccccc1 ZINC000542470669 341008820 /nfs/dbraw/zinc/00/88/20/341008820.db2.gz MHOAHGJSACKQFJ-LNLFQRSKSA-N 2 2 316.489 3.807 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130670927 341038721 /nfs/dbraw/zinc/03/87/21/341038721.db2.gz NFUSUPGSIOCBBS-KRWDZBQOSA-N 2 2 311.816 3.807 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000130803164 341045911 /nfs/dbraw/zinc/04/59/11/341045911.db2.gz BOJKLDACLWXTMM-ZDUSSCGKSA-N 2 2 311.351 3.985 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000130803164 341045912 /nfs/dbraw/zinc/04/59/12/341045912.db2.gz BOJKLDACLWXTMM-ZDUSSCGKSA-N 2 2 311.351 3.985 20 0 DHADLP CCc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)o1 ZINC000130820756 341048031 /nfs/dbraw/zinc/04/80/31/341048031.db2.gz DHKNOSSLKIDGBX-UHFFFAOYSA-N 2 2 316.420 3.735 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000544461539 341083188 /nfs/dbraw/zinc/08/31/88/341083188.db2.gz MEMRBTKARYCXFQ-DOTOQJQBSA-N 2 2 313.445 3.867 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000544461539 341083189 /nfs/dbraw/zinc/08/31/89/341083189.db2.gz MEMRBTKARYCXFQ-DOTOQJQBSA-N 2 2 313.445 3.867 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CCC2)o1 ZINC000544578505 341086900 /nfs/dbraw/zinc/08/69/00/341086900.db2.gz AQZBUPCYJFGLBK-IBGZPJMESA-N 2 2 313.445 3.794 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000544608882 341088604 /nfs/dbraw/zinc/08/86/04/341088604.db2.gz HDBCSWJUFHICJJ-MBVDDHJVSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000544608882 341088605 /nfs/dbraw/zinc/08/86/05/341088605.db2.gz HDBCSWJUFHICJJ-MBVDDHJVSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000544608882 341088606 /nfs/dbraw/zinc/08/86/06/341088606.db2.gz HDBCSWJUFHICJJ-MBVDDHJVSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000544608882 341088607 /nfs/dbraw/zinc/08/86/07/341088607.db2.gz HDBCSWJUFHICJJ-MBVDDHJVSA-N 2 2 308.416 3.642 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000544611232 341088889 /nfs/dbraw/zinc/08/88/89/341088889.db2.gz NCUYACYMMGOTGD-YVACAVLKSA-N 2 2 308.416 3.642 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000544611232 341088890 /nfs/dbraw/zinc/08/88/90/341088890.db2.gz NCUYACYMMGOTGD-YVACAVLKSA-N 2 2 308.416 3.642 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCCCOc1ccc(F)cc1 ZINC000564298706 341151614 /nfs/dbraw/zinc/15/16/14/341151614.db2.gz NIQZSIVHUPBUCJ-UHFFFAOYSA-N 2 2 316.420 3.911 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC000076002346 341195409 /nfs/dbraw/zinc/19/54/09/341195409.db2.gz JPJZUXNRUDUYKO-OAHLLOKOSA-N 2 2 310.482 3.582 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCSc2ccccc2F)C1 ZINC000076002346 341195410 /nfs/dbraw/zinc/19/54/10/341195410.db2.gz JPJZUXNRUDUYKO-OAHLLOKOSA-N 2 2 310.482 3.582 20 0 DHADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000547281060 341203506 /nfs/dbraw/zinc/20/35/06/341203506.db2.gz MSJOGQXEGAUCGA-AWEZNQCLSA-N 2 2 310.388 3.591 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000547281060 341203507 /nfs/dbraw/zinc/20/35/07/341203507.db2.gz MSJOGQXEGAUCGA-AWEZNQCLSA-N 2 2 310.388 3.591 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC000237716733 341218723 /nfs/dbraw/zinc/21/87/23/341218723.db2.gz ZNEYEMBAOVMUOG-LPHOPBHVSA-N 2 2 319.452 3.921 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@H+]1Cc1ccccc1 ZINC000237716733 341218724 /nfs/dbraw/zinc/21/87/24/341218724.db2.gz ZNEYEMBAOVMUOG-LPHOPBHVSA-N 2 2 319.452 3.921 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000135166893 341232619 /nfs/dbraw/zinc/23/26/19/341232619.db2.gz QCFCOABDEGVPQV-JTQLQIEISA-N 2 2 319.674 3.532 20 0 DHADLP C[C@@H]1CC[N@H+](CCSc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000136082515 341252558 /nfs/dbraw/zinc/25/25/58/341252558.db2.gz IUFWFBBUAGPLEW-ZBFHGGJFSA-N 2 2 319.449 3.697 20 0 DHADLP C[C@@H]1CC[N@@H+](CCSc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000136082515 341252559 /nfs/dbraw/zinc/25/25/59/341252559.db2.gz IUFWFBBUAGPLEW-ZBFHGGJFSA-N 2 2 319.449 3.697 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000548860004 341278589 /nfs/dbraw/zinc/27/85/89/341278589.db2.gz HLLXVMBNFQLZBX-HIFRSBDPSA-N 2 2 314.395 3.685 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000548860004 341278590 /nfs/dbraw/zinc/27/85/90/341278590.db2.gz HLLXVMBNFQLZBX-HIFRSBDPSA-N 2 2 314.395 3.685 20 0 DHADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000549038276 341284291 /nfs/dbraw/zinc/28/42/91/341284291.db2.gz QNSONBXALTVGIB-UHFFFAOYSA-N 2 2 320.321 3.581 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ncc(-c3cccs3)o2)[C@@H](C)C1 ZINC000245417308 341292416 /nfs/dbraw/zinc/29/24/16/341292416.db2.gz FYJCMNRKJANYNX-KBPBESRZSA-N 2 2 319.474 3.565 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ncc(-c3cccs3)o2)[C@@H](C)C1 ZINC000245417308 341292417 /nfs/dbraw/zinc/29/24/17/341292417.db2.gz FYJCMNRKJANYNX-KBPBESRZSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ncc(-c3cccs3)o2)[C@@H](C)C1 ZINC000245417308 341292418 /nfs/dbraw/zinc/29/24/18/341292418.db2.gz FYJCMNRKJANYNX-KBPBESRZSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ncc(-c3cccs3)o2)[C@@H](C)C1 ZINC000245417308 341292419 /nfs/dbraw/zinc/29/24/19/341292419.db2.gz FYJCMNRKJANYNX-KBPBESRZSA-N 2 2 319.474 3.565 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)CC3 ZINC000245539027 341300833 /nfs/dbraw/zinc/30/08/33/341300833.db2.gz ZQFIGLLWVNXJMT-OAGGEKHMSA-N 2 2 323.484 3.548 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)CC3 ZINC000245539027 341300834 /nfs/dbraw/zinc/30/08/34/341300834.db2.gz ZQFIGLLWVNXJMT-OAGGEKHMSA-N 2 2 323.484 3.548 20 0 DHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549839939 341304662 /nfs/dbraw/zinc/30/46/62/341304662.db2.gz DGOMEGAUBNZXKX-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549839939 341304663 /nfs/dbraw/zinc/30/46/63/341304663.db2.gz DGOMEGAUBNZXKX-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549839939 341304664 /nfs/dbraw/zinc/30/46/64/341304664.db2.gz DGOMEGAUBNZXKX-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549839939 341304665 /nfs/dbraw/zinc/30/46/65/341304665.db2.gz DGOMEGAUBNZXKX-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000550513910 341317977 /nfs/dbraw/zinc/31/79/77/341317977.db2.gz LDIHOLTUPMDDMW-UHFFFAOYSA-N 2 2 323.465 3.927 20 0 DHADLP CCc1ccc([C@@H](C[NH2+]C2CCC(O)CC2)[NH+](CC)CC)cc1 ZINC000550844529 341324291 /nfs/dbraw/zinc/32/42/91/341324291.db2.gz QDLFIRCYBVNGIC-SOAGJPPSSA-N 2 2 318.505 3.525 20 0 DHADLP CC1=CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000550887837 341325748 /nfs/dbraw/zinc/32/57/48/341325748.db2.gz USDAJOKPSXDDTH-SFHVURJKSA-N 2 2 302.437 3.879 20 0 DHADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246117001 341327442 /nfs/dbraw/zinc/32/74/42/341327442.db2.gz KBYLXZRJIWXBJU-FXAWDEMLSA-N 2 2 324.468 3.765 20 0 DHADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246117001 341327443 /nfs/dbraw/zinc/32/74/43/341327443.db2.gz KBYLXZRJIWXBJU-FXAWDEMLSA-N 2 2 324.468 3.765 20 0 DHADLP COc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246117001 341327444 /nfs/dbraw/zinc/32/74/44/341327444.db2.gz KBYLXZRJIWXBJU-FXAWDEMLSA-N 2 2 324.468 3.765 20 0 DHADLP COc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246117001 341327445 /nfs/dbraw/zinc/32/74/45/341327445.db2.gz KBYLXZRJIWXBJU-FXAWDEMLSA-N 2 2 324.468 3.765 20 0 DHADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC[C@@H](Cc3ccccc3)C1)CCCC2 ZINC000551232969 341334721 /nfs/dbraw/zinc/33/47/21/341334721.db2.gz HIIQPXLWOVYEDC-ZWKOTPCHSA-N 2 2 309.457 3.720 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000551241378 341335253 /nfs/dbraw/zinc/33/52/53/341335253.db2.gz LBYVZQCRALZTPH-GSHBMFQSSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000551241378 341335254 /nfs/dbraw/zinc/33/52/54/341335254.db2.gz LBYVZQCRALZTPH-GSHBMFQSSA-N 2 2 315.505 3.706 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc(C)c1F ZINC000551817865 341352927 /nfs/dbraw/zinc/35/29/27/341352927.db2.gz LSCWQXJMXBWKND-AWEZNQCLSA-N 2 2 301.409 3.826 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247012654 341359965 /nfs/dbraw/zinc/35/99/65/341359965.db2.gz XMHGITFFRRMXBP-GLJUWKHASA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247012654 341359966 /nfs/dbraw/zinc/35/99/66/341359966.db2.gz XMHGITFFRRMXBP-GLJUWKHASA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247012654 341359967 /nfs/dbraw/zinc/35/99/67/341359967.db2.gz XMHGITFFRRMXBP-GLJUWKHASA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247012654 341359968 /nfs/dbraw/zinc/35/99/68/341359968.db2.gz XMHGITFFRRMXBP-GLJUWKHASA-N 2 2 320.427 3.975 20 0 DHADLP Cc1ccccc1OCCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247790012 341370309 /nfs/dbraw/zinc/37/03/09/341370309.db2.gz YZOAPRVJCLTZPE-WMZOPIPTSA-N 2 2 313.445 3.544 20 0 DHADLP Cc1ccccc1OCCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247790012 341370310 /nfs/dbraw/zinc/37/03/10/341370310.db2.gz YZOAPRVJCLTZPE-WMZOPIPTSA-N 2 2 313.445 3.544 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1cccc(O)c1 ZINC000249252034 341395407 /nfs/dbraw/zinc/39/54/07/341395407.db2.gz GMIOOQBJMYGBQG-GPMSIDNRSA-N 2 2 310.441 3.878 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1cccc(O)c1 ZINC000249252034 341395408 /nfs/dbraw/zinc/39/54/08/341395408.db2.gz GMIOOQBJMYGBQG-GPMSIDNRSA-N 2 2 310.441 3.878 20 0 DHADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1nc2c(s1)CCCC2 ZINC000093370064 341470009 /nfs/dbraw/zinc/47/00/09/341470009.db2.gz DTQZYYURPYKINO-LBPRGKRZSA-N 2 2 321.534 3.982 20 0 DHADLP COC[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1)C1CC1 ZINC000153437909 341540185 /nfs/dbraw/zinc/54/01/85/341540185.db2.gz KUTZRGLFERBYDP-DLBZAZTESA-N 2 2 322.518 3.536 20 0 DHADLP COc1ccc(-c2ccc(C[NH2+]Cc3c[nH+]c(C)n3C)cc2)cc1 ZINC000566498957 341560131 /nfs/dbraw/zinc/56/01/31/341560131.db2.gz KFZLDUZYRNWDHM-UHFFFAOYSA-N 2 2 321.424 3.694 20 0 DHADLP CC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000154001186 341582770 /nfs/dbraw/zinc/58/27/70/341582770.db2.gz ZEKPOGHQCOLBLO-LPHOPBHVSA-N 2 2 316.489 3.665 20 0 DHADLP CCCOc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000315123164 341655069 /nfs/dbraw/zinc/65/50/69/341655069.db2.gz NXGIRGBEIKDBHB-INIZCTEOSA-N 2 2 301.434 3.803 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000574708847 341766599 /nfs/dbraw/zinc/76/65/99/341766599.db2.gz XMLXSNBHHGTMEA-HDJSIYSDSA-N 2 2 306.416 3.962 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)c(F)c1 ZINC000173311602 341814798 /nfs/dbraw/zinc/81/47/98/341814798.db2.gz FIUKHSVMPJKRNE-GFCCVEGCSA-N 2 2 301.340 3.506 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@H](COc2ccccc2)c2ccccc2)n1C ZINC000577531053 341916238 /nfs/dbraw/zinc/91/62/38/341916238.db2.gz SNZUQIPRDUPEFB-HXUWFJFHSA-N 2 2 321.424 3.638 20 0 DHADLP c1cc(-c2ccc(N3CCCC3)[nH+]c2)ccc1C[NH+]1CCCC1 ZINC000527588852 518203702 /nfs/dbraw/zinc/20/37/02/518203702.db2.gz SHNWSEZYDJAGBA-UHFFFAOYSA-N 2 2 307.441 3.945 20 0 DHADLP CC[NH+](CC)[C@@H](c1nc([C@@H]([NH3+])CC(C)C)no1)c1ccccc1 ZINC000339390976 520840059 /nfs/dbraw/zinc/84/00/59/520840059.db2.gz HORRRMHVDYLOSQ-JKSUJKDBSA-N 2 2 316.449 3.547 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000159293947 521583329 /nfs/dbraw/zinc/58/33/29/521583329.db2.gz YVMXBFAXAOLDJQ-INIZCTEOSA-N 2 2 306.425 3.502 20 0 DHADLP CCc1cnc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000359142941 522035903 /nfs/dbraw/zinc/03/59/03/522035903.db2.gz MBNDUDZFIXBKMU-UHFFFAOYSA-N 2 2 309.523 3.840 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+]C3CCSCC3)ccc2n1C1CC1 ZINC000338462763 522484389 /nfs/dbraw/zinc/48/43/89/522484389.db2.gz UFRLLTQXLMLSGW-UHFFFAOYSA-N 2 2 315.486 3.919 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338313105 522595838 /nfs/dbraw/zinc/59/58/38/522595838.db2.gz HRCPJHYLUYHQCD-LSDHHAIUSA-N 2 2 311.420 3.908 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338313105 522595850 /nfs/dbraw/zinc/59/58/50/522595850.db2.gz HRCPJHYLUYHQCD-LSDHHAIUSA-N 2 2 311.420 3.908 20 0 DHADLP C[N@H+](CCCC(C)(C)C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337216781 522725032 /nfs/dbraw/zinc/72/50/32/522725032.db2.gz ZPLFXQVBFKGSBP-ROUUACIJSA-N 2 2 303.494 3.833 20 0 DHADLP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337216781 522725041 /nfs/dbraw/zinc/72/50/41/522725041.db2.gz ZPLFXQVBFKGSBP-ROUUACIJSA-N 2 2 303.494 3.833 20 0 DHADLP C[NH+](CCCC(C)(C)C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000337216781 522725052 /nfs/dbraw/zinc/72/50/52/522725052.db2.gz ZPLFXQVBFKGSBP-ROUUACIJSA-N 2 2 303.494 3.833 20 0 DHADLP C[NH+](CCCC(C)(C)C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000337216781 522725058 /nfs/dbraw/zinc/72/50/58/522725058.db2.gz ZPLFXQVBFKGSBP-ROUUACIJSA-N 2 2 303.494 3.833 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c2cccnc12 ZINC000124405957 522804650 /nfs/dbraw/zinc/80/46/50/522804650.db2.gz RWLPRMSOWAIJQA-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c2cccnc12 ZINC000124405957 522804662 /nfs/dbraw/zinc/80/46/62/522804662.db2.gz RWLPRMSOWAIJQA-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP COCCC1(C[N@@H+]2CCC[C@H]2[C@@H]2CCC[NH+]2C)CCCCC1 ZINC000372678473 523024332 /nfs/dbraw/zinc/02/43/32/523024332.db2.gz BOMWRZNCHKVNNM-ROUUACIJSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[N@H+]2CCC[C@H]2[C@@H]2CCC[NH+]2C)CCCCC1 ZINC000372678473 523024340 /nfs/dbraw/zinc/02/43/40/523024340.db2.gz BOMWRZNCHKVNNM-ROUUACIJSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[NH+]2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC000372678473 523024351 /nfs/dbraw/zinc/02/43/51/523024351.db2.gz BOMWRZNCHKVNNM-ROUUACIJSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[NH+]2CCC[C@H]2[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC000372678473 523024362 /nfs/dbraw/zinc/02/43/62/523024362.db2.gz BOMWRZNCHKVNNM-ROUUACIJSA-N 2 2 308.510 3.532 20 0 DHADLP COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000129344268 524036465 /nfs/dbraw/zinc/03/64/65/524036465.db2.gz HUWDLCOADAYWTJ-CJNGLKHVSA-N 2 2 319.836 3.628 20 0 DHADLP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000129344268 524036468 /nfs/dbraw/zinc/03/64/68/524036468.db2.gz HUWDLCOADAYWTJ-CJNGLKHVSA-N 2 2 319.836 3.628 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1n1cc[nH+]c1 ZINC000156501356 524290413 /nfs/dbraw/zinc/29/04/13/524290413.db2.gz ZLAWIAOHYNLDPV-KSSFIOAISA-N 2 2 324.403 3.654 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1n1cc[nH+]c1 ZINC000156501356 524290417 /nfs/dbraw/zinc/29/04/17/524290417.db2.gz ZLAWIAOHYNLDPV-KSSFIOAISA-N 2 2 324.403 3.654 20 0 DHADLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000188026648 524408023 /nfs/dbraw/zinc/40/80/23/524408023.db2.gz OXIPPADVGOEHHB-SJORKVTESA-N 2 2 301.478 3.604 20 0 DHADLP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268759379 524839108 /nfs/dbraw/zinc/83/91/08/524839108.db2.gz KVONCWXUMFGTON-HNNXBMFYSA-N 2 2 317.502 3.941 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cncc(F)c1 ZINC000132350756 525296568 /nfs/dbraw/zinc/29/65/68/525296568.db2.gz DLPPQAOHCRAPSV-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c(F)c1 ZINC000366436408 525316965 /nfs/dbraw/zinc/31/69/65/525316965.db2.gz VDUMPRMQDQTTLV-NFOMZHRRSA-N 2 2 306.425 3.502 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cnc2ccsc2c1 ZINC000163844418 525340360 /nfs/dbraw/zinc/34/03/60/525340360.db2.gz YIABBRQPFNAEHM-ZDUSSCGKSA-N 2 2 312.442 3.844 20 0 DHADLP C[C@H]([NH2+]CCCc1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181490442 525344967 /nfs/dbraw/zinc/34/49/67/525344967.db2.gz NDUOAUHQTSUGJJ-INIZCTEOSA-N 2 2 306.413 3.551 20 0 DHADLP COc1ccc([C@H](C[NH2+][C@H](C)C2(C)CC2)[NH+]2CCCC2)cc1 ZINC000156661792 525360702 /nfs/dbraw/zinc/36/07/02/525360702.db2.gz FAUCLRKATVPPME-QAPCUYQASA-N 2 2 302.462 3.610 20 0 DHADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1Cl ZINC000339559963 525490217 /nfs/dbraw/zinc/49/02/17/525490217.db2.gz YGLUTNYEPXEECM-NSHDSACASA-N 2 2 309.866 3.709 20 0 DHADLP Cc1ccc(-c2cnc(C[NH+]3CCC(n4cc[nH+]c4)CC3)o2)cc1 ZINC000266777132 525770902 /nfs/dbraw/zinc/77/09/02/525770902.db2.gz YUBKSFSOVWKCRO-UHFFFAOYSA-N 2 2 322.412 3.684 20 0 DHADLP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000267388659 525771203 /nfs/dbraw/zinc/77/12/03/525771203.db2.gz CHCGBNPMDHBTFN-INIZCTEOSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000267388659 525771212 /nfs/dbraw/zinc/77/12/12/525771212.db2.gz CHCGBNPMDHBTFN-INIZCTEOSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1c([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cnn1C(C)C ZINC000191259042 525895052 /nfs/dbraw/zinc/89/50/52/525895052.db2.gz PUCJXCFAIORMMU-OAHLLOKOSA-N 2 2 315.465 3.710 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](Cc1cccc(C)c1)C1CC1)CCC2 ZINC000366230383 525937056 /nfs/dbraw/zinc/93/70/56/525937056.db2.gz LIFYPVABPJMJKT-UXHICEINSA-N 2 2 323.484 3.988 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267425559 526181138 /nfs/dbraw/zinc/18/11/38/526181138.db2.gz LKIVJMLQXNFXIW-QWHCGFSZSA-N 2 2 302.422 3.636 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267425559 526181145 /nfs/dbraw/zinc/18/11/45/526181145.db2.gz LKIVJMLQXNFXIW-QWHCGFSZSA-N 2 2 302.422 3.636 20 0 DHADLP FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000337987956 526284989 /nfs/dbraw/zinc/28/49/89/526284989.db2.gz HQQMHXOIIOZCBW-QFBILLFUSA-N 2 2 315.436 3.939 20 0 DHADLP FCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000337987957 526285407 /nfs/dbraw/zinc/28/54/07/526285407.db2.gz HQQMHXOIIOZCBW-VQIMIIECSA-N 2 2 315.436 3.939 20 0 DHADLP c1c[nH+]c(C2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)[nH]1 ZINC000266743041 526404740 /nfs/dbraw/zinc/40/47/40/526404740.db2.gz MHUNZLMKBHQTQG-UHFFFAOYSA-N 2 2 324.453 3.913 20 0 DHADLP c1c[nH+]c(C2CC[NH+](CCc3ccc4ccccc4c3)CC2)[nH]1 ZINC000266753581 526406010 /nfs/dbraw/zinc/40/60/10/526406010.db2.gz ONUAVDKOCQFYIZ-UHFFFAOYSA-N 2 2 305.425 3.985 20 0 DHADLP c1cn(CC[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)c[nH+]1 ZINC000339606836 526533045 /nfs/dbraw/zinc/53/30/45/526533045.db2.gz IIMGKJSQVDIZSS-HXUWFJFHSA-N 2 2 303.409 3.531 20 0 DHADLP c1cn(CC[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)c[nH+]1 ZINC000339606836 526533051 /nfs/dbraw/zinc/53/30/51/526533051.db2.gz IIMGKJSQVDIZSS-HXUWFJFHSA-N 2 2 303.409 3.531 20 0 DHADLP c1cncc([C@H]2CCC[C@H]([NH2+]CC[NH+]3CCCCCC3)C2)c1 ZINC000337334590 526550436 /nfs/dbraw/zinc/55/04/36/526550436.db2.gz KSZXTDHUKSURFG-HKUYNNGSSA-N 2 2 301.478 3.573 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+]3C)cs2)cs1 ZINC000154573912 526563513 /nfs/dbraw/zinc/56/35/13/526563513.db2.gz XXISKBBETLMOMO-FZMZJTMJSA-N 2 2 321.515 3.925 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H]3CCC[N@H+]3C)cs2)cs1 ZINC000154573912 526563517 /nfs/dbraw/zinc/56/35/17/526563517.db2.gz XXISKBBETLMOMO-FZMZJTMJSA-N 2 2 321.515 3.925 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155720884 526605025 /nfs/dbraw/zinc/60/50/25/526605025.db2.gz HDRGFJYQDOFVSS-CYBMUJFWSA-N 2 2 312.442 3.666 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CCCCOc1ccccc1 ZINC000158586120 527169926 /nfs/dbraw/zinc/16/99/26/527169926.db2.gz RKWAESWKZRMGRK-UHFFFAOYSA-N 2 2 323.440 3.794 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(C)c2)cn1 ZINC000126492204 527374908 /nfs/dbraw/zinc/37/49/08/527374908.db2.gz OZHWDSFRCGMFNY-HNNXBMFYSA-N 2 2 306.413 3.735 20 0 DHADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267465672 527686903 /nfs/dbraw/zinc/68/69/03/527686903.db2.gz WFSIFAMNHLZJDK-CYBMUJFWSA-N 2 2 309.335 3.808 20 0 DHADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267465672 527686906 /nfs/dbraw/zinc/68/69/06/527686906.db2.gz WFSIFAMNHLZJDK-CYBMUJFWSA-N 2 2 309.335 3.808 20 0 DHADLP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157266214 527697121 /nfs/dbraw/zinc/69/71/21/527697121.db2.gz IMVVBBVLXJBNLT-MRXNPFEDSA-N 2 2 324.415 3.738 20 0 DHADLP FC(F)Oc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157266214 527697122 /nfs/dbraw/zinc/69/71/22/527697122.db2.gz IMVVBBVLXJBNLT-MRXNPFEDSA-N 2 2 324.415 3.738 20 0 DHADLP CC(C)n1nccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000369555256 535147012 /nfs/dbraw/zinc/14/70/12/535147012.db2.gz ALCFEMWHLSXUMJ-ROUUACIJSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1nccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000369555256 535147017 /nfs/dbraw/zinc/14/70/17/535147017.db2.gz ALCFEMWHLSXUMJ-ROUUACIJSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1nccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000369555256 535147020 /nfs/dbraw/zinc/14/70/20/535147020.db2.gz ALCFEMWHLSXUMJ-ROUUACIJSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1nccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000369555256 535147022 /nfs/dbraw/zinc/14/70/22/535147022.db2.gz ALCFEMWHLSXUMJ-ROUUACIJSA-N 2 2 318.509 3.550 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+]CCCn3cc[nH+]c3)ccc2c1 ZINC000120493508 537039314 /nfs/dbraw/zinc/03/93/14/537039314.db2.gz XLLAROPNXRNQQQ-OAHLLOKOSA-N 2 2 309.413 3.786 20 0 DHADLP Cn1c(C[NH2+]CCCCNc2cccc[nH+]2)cc2ccccc21 ZINC000638517807 1013094884 /nfs/dbraw/zinc/09/48/84/1013094884.db2.gz CTOJHOFUGBFPPS-UHFFFAOYSA-N 2 2 308.429 3.555 20 0 DHADLP C[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1cc(F)cc(F)c1 ZINC000294842491 1013150532 /nfs/dbraw/zinc/15/05/32/1013150532.db2.gz OGOFODRUTNSOSD-GFCCVEGCSA-N 2 2 305.372 3.671 20 0 DHADLP Cc1csc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167964367 1013209458 /nfs/dbraw/zinc/20/94/58/1013209458.db2.gz PRZAEXOXSLFBRD-OHRKKDJYSA-N 2 2 305.491 3.508 20 0 DHADLP Cc1csc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167964367 1013209461 /nfs/dbraw/zinc/20/94/61/1013209461.db2.gz PRZAEXOXSLFBRD-OHRKKDJYSA-N 2 2 305.491 3.508 20 0 DHADLP C[C@H](Cc1ccccn1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000925060286 1013254161 /nfs/dbraw/zinc/25/41/61/1013254161.db2.gz OCAYAQKWTRWNEZ-SJORKVTESA-N 2 2 311.473 3.732 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001203388429 1013329241 /nfs/dbraw/zinc/32/92/41/1013329241.db2.gz UWFIMXFYOBIXRL-OAHLLOKOSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001203388429 1013329255 /nfs/dbraw/zinc/32/92/55/1013329255.db2.gz UWFIMXFYOBIXRL-OAHLLOKOSA-N 2 2 302.805 3.697 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl)C[NH+](C)C ZINC000388674899 1013390346 /nfs/dbraw/zinc/39/03/46/1013390346.db2.gz QTUYVLCQOMEMFU-ZJUUUORDSA-N 2 2 307.240 3.981 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000319978684 1013500663 /nfs/dbraw/zinc/50/06/63/1013500663.db2.gz XCQRXXDCHYQQIC-XJKSGUPXSA-N 2 2 316.405 3.557 20 0 DHADLP CCC(C)(C)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655682255 1013635783 /nfs/dbraw/zinc/63/57/83/1013635783.db2.gz CLUDXLUSNJLQCS-FAFZWHIHSA-N 2 2 322.537 3.824 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655689222 1013640562 /nfs/dbraw/zinc/64/05/62/1013640562.db2.gz YYHDCYPDELMLBX-ZWKOTPCHSA-N 2 2 322.880 3.634 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000317246143 1013760094 /nfs/dbraw/zinc/76/00/94/1013760094.db2.gz MXCBYKIZCLAUAI-CJNGLKHVSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000317246143 1013760100 /nfs/dbraw/zinc/76/01/00/1013760100.db2.gz MXCBYKIZCLAUAI-CJNGLKHVSA-N 2 2 302.393 3.658 20 0 DHADLP C1CCC(OC2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)C1 ZINC000655851567 1013776651 /nfs/dbraw/zinc/77/66/51/1013776651.db2.gz XXHOGLYJZATMPV-QUDVFMAMSA-N 2 2 320.521 3.863 20 0 DHADLP C1CCC(OC2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)C1 ZINC000655851567 1013776658 /nfs/dbraw/zinc/77/66/58/1013776658.db2.gz XXHOGLYJZATMPV-QUDVFMAMSA-N 2 2 320.521 3.863 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000655848458 1013774188 /nfs/dbraw/zinc/77/41/88/1013774188.db2.gz FNOAMQLWYCGMER-BTHPGYMESA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000655848458 1013774202 /nfs/dbraw/zinc/77/42/02/1013774202.db2.gz FNOAMQLWYCGMER-BTHPGYMESA-N 2 2 313.489 3.714 20 0 DHADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCCO1 ZINC000655850626 1013779139 /nfs/dbraw/zinc/77/91/39/1013779139.db2.gz XZUNPJRIDDTKST-AYOQOUSVSA-N 2 2 313.445 3.871 20 0 DHADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1SC ZINC000655855991 1013786496 /nfs/dbraw/zinc/78/64/96/1013786496.db2.gz KFESMLNUPFMZKW-JKSUJKDBSA-N 2 2 320.502 3.524 20 0 DHADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1SC ZINC000655855991 1013786500 /nfs/dbraw/zinc/78/65/00/1013786500.db2.gz KFESMLNUPFMZKW-JKSUJKDBSA-N 2 2 320.502 3.524 20 0 DHADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000655858043 1013788043 /nfs/dbraw/zinc/78/80/43/1013788043.db2.gz WNAWEHNSWFLYSZ-FLSJAXMZSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000655858043 1013788050 /nfs/dbraw/zinc/78/80/50/1013788050.db2.gz WNAWEHNSWFLYSZ-FLSJAXMZSA-N 2 2 306.400 3.585 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CS1 ZINC000639215953 1013900304 /nfs/dbraw/zinc/90/03/04/1013900304.db2.gz MRYFSWHKXPWBDS-VXGBXAGGSA-N 2 2 307.850 3.509 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005150 1014393268 /nfs/dbraw/zinc/39/32/68/1014393268.db2.gz GWRQWJMOPXGJTB-XEMDLRDOSA-N 2 2 309.457 3.613 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005150 1014393278 /nfs/dbraw/zinc/39/32/78/1014393278.db2.gz GWRQWJMOPXGJTB-XEMDLRDOSA-N 2 2 309.457 3.613 20 0 DHADLP Cc1ccnc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168005155 1014393654 /nfs/dbraw/zinc/39/36/54/1014393654.db2.gz HATGWVYTBACVIE-QZTJIDSGSA-N 2 2 323.484 3.921 20 0 DHADLP Cc1ccnc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168005156 1014393953 /nfs/dbraw/zinc/39/39/53/1014393953.db2.gz HATGWVYTBACVIE-ROUUACIJSA-N 2 2 323.484 3.921 20 0 DHADLP C[NH+](C)CCOc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000665212018 1014487820 /nfs/dbraw/zinc/48/78/20/1014487820.db2.gz MYMPKRCKUBHLCU-UHFFFAOYSA-N 2 2 321.424 3.539 20 0 DHADLP Clc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427875511 1014538650 /nfs/dbraw/zinc/53/86/50/1014538650.db2.gz KCIVBEBWOGLZMD-MLGOLLRUSA-N 2 2 301.821 3.519 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)CC2 ZINC000427863094 1014541407 /nfs/dbraw/zinc/54/14/07/1014541407.db2.gz APEGLWBRLOIFGH-GOSISDBHSA-N 2 2 303.409 3.577 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1F ZINC000427895936 1014545493 /nfs/dbraw/zinc/54/54/93/1014545493.db2.gz UKISMHIFPYIRNA-FZMZJTMJSA-N 2 2 307.800 3.731 20 0 DHADLP CCSc1ccccc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427868426 1014545730 /nfs/dbraw/zinc/54/57/30/1014545730.db2.gz AMWXGSDLUYWKJE-KGLIPLIRSA-N 2 2 301.459 3.661 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Br)ccc1F ZINC000665249157 1014547254 /nfs/dbraw/zinc/54/72/54/1014547254.db2.gz KGENUOSAFRWSOU-SNVBAGLBSA-N 2 2 315.230 3.510 20 0 DHADLP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427887913 1014547792 /nfs/dbraw/zinc/54/77/92/1014547792.db2.gz VAGUJRSHCHJPKA-DOTOQJQBSA-N 2 2 313.445 3.584 20 0 DHADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1F ZINC000427888490 1014548352 /nfs/dbraw/zinc/54/83/52/1014548352.db2.gz UAAANVQVSQHANN-GUYCJALGSA-N 2 2 321.827 3.977 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000427894063 1014549472 /nfs/dbraw/zinc/54/94/72/1014549472.db2.gz QAEMETOFRCPTOA-BXUZGUMPSA-N 2 2 309.335 3.568 20 0 DHADLP Cc1cc[nH+]c(NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1 ZINC000581093081 1014550864 /nfs/dbraw/zinc/55/08/64/1014550864.db2.gz CPRVOTZPUBOPKI-SFHVURJKSA-N 2 2 313.445 3.892 20 0 DHADLP C[C@@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253096 1014564385 /nfs/dbraw/zinc/56/43/85/1014564385.db2.gz GXTQCCKBBKQFCZ-MORSLUCNSA-N 2 2 318.461 3.554 20 0 DHADLP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253904 1014567859 /nfs/dbraw/zinc/56/78/59/1014567859.db2.gz CGYNEILMQCYGFQ-NILFDRSVSA-N 2 2 318.358 3.592 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2)s1 ZINC000521116763 1014648179 /nfs/dbraw/zinc/64/81/79/1014648179.db2.gz XDFJCNPRFHCQQM-UHFFFAOYSA-N 2 2 317.502 3.974 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2)s1 ZINC000521116763 1014648183 /nfs/dbraw/zinc/64/81/83/1014648183.db2.gz XDFJCNPRFHCQQM-UHFFFAOYSA-N 2 2 317.502 3.974 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116548 1014648365 /nfs/dbraw/zinc/64/83/65/1014648365.db2.gz PJDDYLPOHOFYBJ-XJKSGUPXSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116548 1014648368 /nfs/dbraw/zinc/64/83/68/1014648368.db2.gz PJDDYLPOHOFYBJ-XJKSGUPXSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116548 1014648372 /nfs/dbraw/zinc/64/83/72/1014648372.db2.gz PJDDYLPOHOFYBJ-XJKSGUPXSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116548 1014648374 /nfs/dbraw/zinc/64/83/74/1014648374.db2.gz PJDDYLPOHOFYBJ-XJKSGUPXSA-N 2 2 307.507 3.573 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CCCS2 ZINC000665277897 1014652787 /nfs/dbraw/zinc/65/27/87/1014652787.db2.gz ORKYCHPUCQXVFM-WMEQCIOUSA-N 2 2 308.878 3.609 20 0 DHADLP C[C@@H]1[C@@H]([NH2+]CC[C@@H]2CC2(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000621768756 1014653872 /nfs/dbraw/zinc/65/38/72/1014653872.db2.gz UNYNOVGGGCGTBA-OIISXLGYSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1[C@@H]([NH2+]CC[C@@H]2CC2(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000621768756 1014653878 /nfs/dbraw/zinc/65/38/78/1014653878.db2.gz UNYNOVGGGCGTBA-OIISXLGYSA-N 2 2 308.416 3.674 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CCCS2 ZINC000581349872 1014727250 /nfs/dbraw/zinc/72/72/50/1014727250.db2.gz YCMKTYJYXMPFFI-WMLDXEAASA-N 2 2 320.502 3.554 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CCCS2 ZINC000581349872 1014727256 /nfs/dbraw/zinc/72/72/56/1014727256.db2.gz YCMKTYJYXMPFFI-WMLDXEAASA-N 2 2 320.502 3.554 20 0 DHADLP [NH3+]C1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000036754776 1014830859 /nfs/dbraw/zinc/83/08/59/1014830859.db2.gz NGEGKBDJAXQJSG-UHFFFAOYSA-N 2 2 305.274 3.509 20 0 DHADLP Clc1c2ccccc2sc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261745735 1014852676 /nfs/dbraw/zinc/85/26/76/1014852676.db2.gz MLJNEEZZGONWRE-YPMHNXCESA-N 2 2 306.862 3.739 20 0 DHADLP Clc1c2ccccc2sc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261745735 1014852694 /nfs/dbraw/zinc/85/26/94/1014852694.db2.gz MLJNEEZZGONWRE-YPMHNXCESA-N 2 2 306.862 3.739 20 0 DHADLP Cc1cc(F)cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001143591528 1014950569 /nfs/dbraw/zinc/95/05/69/1014950569.db2.gz HRGJRBULPQCFRT-UHFFFAOYSA-N 2 2 304.453 3.973 20 0 DHADLP Cc1cc(F)cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001143591528 1014950578 /nfs/dbraw/zinc/95/05/78/1014950578.db2.gz HRGJRBULPQCFRT-UHFFFAOYSA-N 2 2 304.453 3.973 20 0 DHADLP C[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1cnccn1 ZINC001168019674 1014956530 /nfs/dbraw/zinc/95/65/30/1014956530.db2.gz JJBKJZTWYAKZEP-ULQDDVLXSA-N 2 2 324.472 3.569 20 0 DHADLP C[NH+]1CCC([C@@H]2CCN(c3[nH+]ccc4cc(F)ccc43)C2)CC1 ZINC000581545585 1014982846 /nfs/dbraw/zinc/98/28/46/1014982846.db2.gz SHPMDHWXFHJVQI-MRXNPFEDSA-N 2 2 313.420 3.542 20 0 DHADLP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000090401410 1015136259 /nfs/dbraw/zinc/13/62/59/1015136259.db2.gz GJOHCYLZOTWCKE-AWEZNQCLSA-N 2 2 315.486 3.551 20 0 DHADLP Cc1ncc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)s1 ZINC000090401410 1015136265 /nfs/dbraw/zinc/13/62/65/1015136265.db2.gz GJOHCYLZOTWCKE-AWEZNQCLSA-N 2 2 315.486 3.551 20 0 DHADLP Fc1ccccc1C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000191691642 1015318511 /nfs/dbraw/zinc/31/85/11/1015318511.db2.gz GGGDQKURGUAVCD-HXUWFJFHSA-N 2 2 323.415 3.986 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474479219 1015385618 /nfs/dbraw/zinc/38/56/18/1015385618.db2.gz RLOPUYPMYMNEGL-SDDRHHMPSA-N 2 2 300.899 3.823 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261568015 1015466319 /nfs/dbraw/zinc/46/63/19/1015466319.db2.gz JHAFTPHLUXMIMQ-RYUDHWBXSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261568015 1015466325 /nfs/dbraw/zinc/46/63/25/1015466325.db2.gz JHAFTPHLUXMIMQ-RYUDHWBXSA-N 2 2 301.261 3.986 20 0 DHADLP Cc1cnccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294688839 1032117696 /nfs/dbraw/zinc/11/76/96/1032117696.db2.gz DOBLVCBFURJCAR-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cnccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294688839 1032117701 /nfs/dbraw/zinc/11/77/01/1032117701.db2.gz DOBLVCBFURJCAR-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cnccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000294688839 1032117709 /nfs/dbraw/zinc/11/77/09/1032117709.db2.gz DOBLVCBFURJCAR-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cnccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000294688839 1032117714 /nfs/dbraw/zinc/11/77/14/1032117714.db2.gz DOBLVCBFURJCAR-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474712638 1015560566 /nfs/dbraw/zinc/56/05/66/1015560566.db2.gz NWGKTFZEEKVBAZ-JFIYKMOQSA-N 2 2 304.478 3.651 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474712638 1015560572 /nfs/dbraw/zinc/56/05/72/1015560572.db2.gz NWGKTFZEEKVBAZ-JFIYKMOQSA-N 2 2 304.478 3.651 20 0 DHADLP CCn1c[nH+]c2c1CCN(c1c(C)c[nH+]c3c(C)cccc31)C2 ZINC000896660311 1015695559 /nfs/dbraw/zinc/69/55/59/1015695559.db2.gz NWCBDHZCGQSXAY-UHFFFAOYSA-N 2 2 306.413 3.631 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000443856155 1015773688 /nfs/dbraw/zinc/77/36/88/1015773688.db2.gz RKLUXFRJUWTSCG-BBRMVZONSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000443856155 1015773695 /nfs/dbraw/zinc/77/36/95/1015773695.db2.gz RKLUXFRJUWTSCG-BBRMVZONSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000443856155 1015773697 /nfs/dbraw/zinc/77/36/97/1015773697.db2.gz RKLUXFRJUWTSCG-BBRMVZONSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000443856155 1015773701 /nfs/dbraw/zinc/77/37/01/1015773701.db2.gz RKLUXFRJUWTSCG-BBRMVZONSA-N 2 2 312.379 3.540 20 0 DHADLP Fc1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CCCC2)c(F)c1 ZINC000346331095 1015830315 /nfs/dbraw/zinc/83/03/15/1015830315.db2.gz UAJAWKXXAVFHRD-UHFFFAOYSA-N 2 2 305.372 3.606 20 0 DHADLP Fc1ccc(C[N@H+](CCn2cc[nH+]c2)C2CCCC2)c(F)c1 ZINC000346331095 1015830309 /nfs/dbraw/zinc/83/03/09/1015830309.db2.gz UAJAWKXXAVFHRD-UHFFFAOYSA-N 2 2 305.372 3.606 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1csc2ccccc12 ZINC000535801351 1015830734 /nfs/dbraw/zinc/83/07/34/1015830734.db2.gz JQXCFBWQSNZFDZ-CVEARBPZSA-N 2 2 300.471 3.960 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1csc2ccccc12 ZINC000535801351 1015830741 /nfs/dbraw/zinc/83/07/41/1015830741.db2.gz JQXCFBWQSNZFDZ-CVEARBPZSA-N 2 2 300.471 3.960 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc2ccccc12 ZINC000535801351 1015830748 /nfs/dbraw/zinc/83/07/48/1015830748.db2.gz JQXCFBWQSNZFDZ-CVEARBPZSA-N 2 2 300.471 3.960 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc2ccccc12 ZINC000535801351 1015830757 /nfs/dbraw/zinc/83/07/57/1015830757.db2.gz JQXCFBWQSNZFDZ-CVEARBPZSA-N 2 2 300.471 3.960 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)c1cc(F)ccc1F ZINC000150976472 1016003753 /nfs/dbraw/zinc/00/37/53/1016003753.db2.gz HSYVMDBVRLPQKF-XJKSGUPXSA-N 2 2 305.372 3.525 20 0 DHADLP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000150982363 1016003790 /nfs/dbraw/zinc/00/37/90/1016003790.db2.gz FOYCENYVSUIZIC-GJZGRUSLSA-N 2 2 315.486 3.969 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1oc3ccccc3c1C)C2 ZINC000150974724 1016003937 /nfs/dbraw/zinc/00/39/37/1016003937.db2.gz JHJLPMFJWWKTTH-GJZGRUSLSA-N 2 2 309.413 3.912 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1cccnc1)C(C)C ZINC000361864708 1032135122 /nfs/dbraw/zinc/13/51/22/1032135122.db2.gz DEEUTAHJNXXXDE-UHFFFAOYSA-N 2 2 320.440 3.986 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1cccnc1)C(C)C ZINC000361864708 1032135131 /nfs/dbraw/zinc/13/51/31/1032135131.db2.gz DEEUTAHJNXXXDE-UHFFFAOYSA-N 2 2 320.440 3.986 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)C2 ZINC000151002120 1016009155 /nfs/dbraw/zinc/00/91/55/1016009155.db2.gz NCGQVXHVWQAWNW-QWHCGFSZSA-N 2 2 323.362 3.876 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000151036345 1016015361 /nfs/dbraw/zinc/01/53/61/1016015361.db2.gz HJXSMLVEEFCZIY-JSGCOSHPSA-N 2 2 319.836 3.519 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892134386 1016282659 /nfs/dbraw/zinc/28/26/59/1016282659.db2.gz ZMCOWEASCOXFRK-AWEZNQCLSA-N 2 2 314.395 3.927 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892134386 1016282667 /nfs/dbraw/zinc/28/26/67/1016282667.db2.gz ZMCOWEASCOXFRK-AWEZNQCLSA-N 2 2 314.395 3.927 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892134386 1016282671 /nfs/dbraw/zinc/28/26/71/1016282671.db2.gz ZMCOWEASCOXFRK-AWEZNQCLSA-N 2 2 314.395 3.927 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892134386 1016282680 /nfs/dbraw/zinc/28/26/80/1016282680.db2.gz ZMCOWEASCOXFRK-AWEZNQCLSA-N 2 2 314.395 3.927 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000387244079 1016410169 /nfs/dbraw/zinc/41/01/69/1016410169.db2.gz RAXRZFBPLJQVDO-ROUUACIJSA-N 2 2 304.478 3.617 20 0 DHADLP CC1(C)CC([NH2+]Cc2cnc(C(F)(F)F)s2)CC(C)(C)[NH2+]1 ZINC000443986914 1016571362 /nfs/dbraw/zinc/57/13/62/1016571362.db2.gz GLPMJNCOULXQCX-UHFFFAOYSA-N 2 2 321.412 3.561 20 0 DHADLP CCC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000346978414 1016658620 /nfs/dbraw/zinc/65/86/20/1016658620.db2.gz IQONSQTZXNTGNV-SFHVURJKSA-N 2 2 306.413 3.898 20 0 DHADLP CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC000185165141 1016690626 /nfs/dbraw/zinc/69/06/26/1016690626.db2.gz VEXIZERORKKXSM-IBGZPJMESA-N 2 2 306.413 3.898 20 0 DHADLP FC(F)(F)C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000336850060 1016720961 /nfs/dbraw/zinc/72/09/61/1016720961.db2.gz MHYPKXDUKNHAPC-MRXNPFEDSA-N 2 2 312.379 3.897 20 0 DHADLP [NH3+]C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347184630 1016776927 /nfs/dbraw/zinc/77/69/27/1016776927.db2.gz YERXDROUCXVLFR-GFCCVEGCSA-N 2 2 321.877 3.634 20 0 DHADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347184630 1016776937 /nfs/dbraw/zinc/77/69/37/1016776937.db2.gz YERXDROUCXVLFR-GFCCVEGCSA-N 2 2 321.877 3.634 20 0 DHADLP C[C@@H]1CC([N@@H+]2CCC[C@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053096 1016916578 /nfs/dbraw/zinc/91/65/78/1016916578.db2.gz MSVBCHWZPHQNJB-NUJGCVRESA-N 2 2 304.453 3.862 20 0 DHADLP C[C@@H]1CC([N@H+]2CCC[C@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053096 1016916594 /nfs/dbraw/zinc/91/65/94/1016916594.db2.gz MSVBCHWZPHQNJB-NUJGCVRESA-N 2 2 304.453 3.862 20 0 DHADLP C[C@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C(C)(C)C ZINC000670267648 1016979312 /nfs/dbraw/zinc/97/93/12/1016979312.db2.gz NWOHLFAEVZIRMI-OAHLLOKOSA-N 2 2 318.509 3.706 20 0 DHADLP c1c(CC[NH2+][C@@H]2CCSc3ccccc32)[nH+]c2n1CCCC2 ZINC000152755030 1016988799 /nfs/dbraw/zinc/98/87/99/1016988799.db2.gz QIUFYUHYFLYRSD-MRXNPFEDSA-N 2 2 313.470 3.589 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1(C)C ZINC000623378955 1017004176 /nfs/dbraw/zinc/00/41/76/1017004176.db2.gz ZRWQMPWIZVCNEG-MOPGFXCFSA-N 2 2 309.457 3.633 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1(C)C ZINC000623378955 1017004185 /nfs/dbraw/zinc/00/41/85/1017004185.db2.gz ZRWQMPWIZVCNEG-MOPGFXCFSA-N 2 2 309.457 3.633 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000152798386 1017014273 /nfs/dbraw/zinc/01/42/73/1017014273.db2.gz ANIQDUWIMPLKRJ-BEFAXECRSA-N 2 2 309.457 3.990 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCC(F)(F)CC1 ZINC000475194198 1017067053 /nfs/dbraw/zinc/06/70/53/1017067053.db2.gz KWIGUVYERUSFNE-BBRMVZONSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCC(F)(F)CC1 ZINC000475194198 1017067063 /nfs/dbraw/zinc/06/70/63/1017067063.db2.gz KWIGUVYERUSFNE-BBRMVZONSA-N 2 2 300.437 3.807 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000475198142 1017074816 /nfs/dbraw/zinc/07/48/16/1017074816.db2.gz WCBPHBSKQYMZIY-MDZRGWNJSA-N 2 2 316.489 3.794 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000475198142 1017074818 /nfs/dbraw/zinc/07/48/18/1017074818.db2.gz WCBPHBSKQYMZIY-MDZRGWNJSA-N 2 2 316.489 3.794 20 0 DHADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119206919 1032274660 /nfs/dbraw/zinc/27/46/60/1032274660.db2.gz SXOOYVWMTKHLAJ-SOLBZPMBSA-N 2 2 304.478 3.745 20 0 DHADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119206919 1032274668 /nfs/dbraw/zinc/27/46/68/1032274668.db2.gz SXOOYVWMTKHLAJ-SOLBZPMBSA-N 2 2 304.478 3.745 20 0 DHADLP CCCCc1nc(-n2c(CC[NH3+])cc3ccccc32)cc(C)[nH+]1 ZINC001171301548 1032294711 /nfs/dbraw/zinc/29/47/11/1032294711.db2.gz AVARTOPYLLEYKL-UHFFFAOYSA-N 2 2 308.429 3.573 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172710709 1033346519 /nfs/dbraw/zinc/34/65/19/1033346519.db2.gz LUADQBWTLKPCAA-KBXCAEBGSA-N 2 2 306.881 3.517 20 0 DHADLP Cc1ncsc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016844 1032520005 /nfs/dbraw/zinc/52/00/05/1032520005.db2.gz ZLGSCPVCIPMPET-INIZCTEOSA-N 2 2 307.507 3.540 20 0 DHADLP Cc1ncsc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016844 1032520011 /nfs/dbraw/zinc/52/00/11/1032520011.db2.gz ZLGSCPVCIPMPET-INIZCTEOSA-N 2 2 307.507 3.540 20 0 DHADLP CC[N@@H+](Cc1ccc(C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564632 1032546521 /nfs/dbraw/zinc/54/65/21/1032546521.db2.gz SBFCXCVGEBOTAO-UHFFFAOYSA-N 2 2 313.445 3.722 20 0 DHADLP CC[N@H+](Cc1ccc(C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564632 1032546523 /nfs/dbraw/zinc/54/65/23/1032546523.db2.gz SBFCXCVGEBOTAO-UHFFFAOYSA-N 2 2 313.445 3.722 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCC3)s2)[C@H](C)C1 ZINC000093638847 1032547881 /nfs/dbraw/zinc/54/78/81/1032547881.db2.gz UFVBMLVAIPSCAW-PBHICJAKSA-N 2 2 321.534 3.963 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCC3)s2)[C@H](C)C1 ZINC000093638847 1032547887 /nfs/dbraw/zinc/54/78/87/1032547887.db2.gz UFVBMLVAIPSCAW-PBHICJAKSA-N 2 2 321.534 3.963 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CCCC3)s2)[C@H](C)C1 ZINC000093638847 1032547891 /nfs/dbraw/zinc/54/78/91/1032547891.db2.gz UFVBMLVAIPSCAW-PBHICJAKSA-N 2 2 321.534 3.963 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CCCC3)s2)[C@H](C)C1 ZINC000093638847 1032547896 /nfs/dbraw/zinc/54/78/96/1032547896.db2.gz UFVBMLVAIPSCAW-PBHICJAKSA-N 2 2 321.534 3.963 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(C3CCCC3)s2)CC[N@@H+]1C ZINC000093643999 1032550772 /nfs/dbraw/zinc/55/07/72/1032550772.db2.gz ZHMNTGGYMGMLCT-UKRRQHHQSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(C3CCCC3)s2)CC[N@H+]1C ZINC000093643999 1032550777 /nfs/dbraw/zinc/55/07/77/1032550777.db2.gz ZHMNTGGYMGMLCT-UKRRQHHQSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(C3CCCC3)s2)CC[NH+]1C ZINC000093643999 1032550785 /nfs/dbraw/zinc/55/07/85/1032550785.db2.gz ZHMNTGGYMGMLCT-UKRRQHHQSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(C3CCCC3)s2)CC[NH+]1C ZINC000093643999 1032550788 /nfs/dbraw/zinc/55/07/88/1032550788.db2.gz ZHMNTGGYMGMLCT-UKRRQHHQSA-N 2 2 307.507 3.715 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(F)n2)cc1 ZINC000773091330 1032554848 /nfs/dbraw/zinc/55/48/48/1032554848.db2.gz WGEIICRPEMAMSG-ZDUSSCGKSA-N 2 2 310.376 3.566 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccccn1 ZINC000152408065 1032591236 /nfs/dbraw/zinc/59/12/36/1032591236.db2.gz SLFLUBCLGIGBCP-JTDSTZFVSA-N 2 2 301.478 3.775 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000643543641 1012049484 /nfs/dbraw/zinc/04/94/84/1012049484.db2.gz RXLSDEGULBNRID-YFVAEKQCSA-N 2 2 323.484 3.960 20 0 DHADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1C(F)(F)F ZINC001206770410 1012333755 /nfs/dbraw/zinc/33/37/55/1012333755.db2.gz RXORQOOFCNSPFK-WDEREUQCSA-N 2 2 320.786 3.918 20 0 DHADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1C(F)(F)F ZINC001206770410 1012333771 /nfs/dbraw/zinc/33/37/71/1012333771.db2.gz RXORQOOFCNSPFK-WDEREUQCSA-N 2 2 320.786 3.918 20 0 DHADLP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(C)=O ZINC001280160486 1012744993 /nfs/dbraw/zinc/74/49/93/1012744993.db2.gz LUTBZMPULHMFLS-ZUWIJXEISA-N 2 2 308.510 3.765 20 0 DHADLP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(C)=O ZINC001280160486 1012745010 /nfs/dbraw/zinc/74/50/10/1012745010.db2.gz LUTBZMPULHMFLS-ZUWIJXEISA-N 2 2 308.510 3.765 20 0 DHADLP Cc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Cl)cc1Cl ZINC001206809508 1012990218 /nfs/dbraw/zinc/99/02/18/1012990218.db2.gz LTFYEZAQFZUUEZ-NEPJUHHUSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Cl)cc1Cl ZINC001206809508 1012990237 /nfs/dbraw/zinc/99/02/37/1012990237.db2.gz LTFYEZAQFZUUEZ-NEPJUHHUSA-N 2 2 301.261 3.861 20 0 DHADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000037320292 1013003995 /nfs/dbraw/zinc/00/39/95/1013003995.db2.gz PFJUTLHPTWVMID-DOMZBBRYSA-N 2 2 322.250 3.775 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000537696322 1032675896 /nfs/dbraw/zinc/67/58/96/1032675896.db2.gz GYSSHABFSGTNKA-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000537696322 1032675900 /nfs/dbraw/zinc/67/59/00/1032675900.db2.gz GYSSHABFSGTNKA-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000537696322 1032675911 /nfs/dbraw/zinc/67/59/11/1032675911.db2.gz GYSSHABFSGTNKA-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000537696322 1032675920 /nfs/dbraw/zinc/67/59/20/1032675920.db2.gz GYSSHABFSGTNKA-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](CCCc2c(F)cccc2Cl)CC1 ZINC000517674663 1013041055 /nfs/dbraw/zinc/04/10/55/1013041055.db2.gz KUTMEXAMGRDAOF-AWEZNQCLSA-N 2 2 312.860 3.828 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](CCCc2c(F)cccc2Cl)CC1 ZINC000517674663 1013041072 /nfs/dbraw/zinc/04/10/72/1013041072.db2.gz KUTMEXAMGRDAOF-AWEZNQCLSA-N 2 2 312.860 3.828 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000684957457 1017098864 /nfs/dbraw/zinc/09/88/64/1017098864.db2.gz KJLJRTICMHISIX-HNAYVOBHSA-N 2 2 318.424 3.996 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657526424 1017176620 /nfs/dbraw/zinc/17/66/20/1017176620.db2.gz GXIUZPFPULIYCW-UIRWJGRMSA-N 2 2 316.489 3.699 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657526424 1017176626 /nfs/dbraw/zinc/17/66/26/1017176626.db2.gz GXIUZPFPULIYCW-UIRWJGRMSA-N 2 2 316.489 3.699 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000076004038 1017359892 /nfs/dbraw/zinc/35/98/92/1017359892.db2.gz WVIMCBOVJWCKIV-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000076004038 1017359900 /nfs/dbraw/zinc/35/99/00/1017359900.db2.gz WVIMCBOVJWCKIV-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP Cc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1C ZINC000075758092 1017362727 /nfs/dbraw/zinc/36/27/27/1017362727.db2.gz DTNRQFUJRLSVEI-UHFFFAOYSA-N 2 2 305.425 3.838 20 0 DHADLP FC(F)(F)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000475546593 1017417508 /nfs/dbraw/zinc/41/75/08/1017417508.db2.gz GVYRZLRNHANXJB-UHFFFAOYSA-N 2 2 318.408 3.873 20 0 DHADLP C[NH+](C)[C@]1(CNc2cc[nH+]c3c(Cl)cccc23)CCSC1 ZINC000342823951 1017491674 /nfs/dbraw/zinc/49/16/74/1017491674.db2.gz KCGGRSDOFDONKC-INIZCTEOSA-N 2 2 321.877 3.737 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCCC23CC3)CC1 ZINC000623825656 1017523028 /nfs/dbraw/zinc/52/30/28/1017523028.db2.gz IACXXXHMQNRSRM-CYBMUJFWSA-N 2 2 304.400 3.573 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1C(F)(F)F ZINC000623849782 1017527203 /nfs/dbraw/zinc/52/72/03/1017527203.db2.gz PCRRRWIHIQKNOO-LLVKDONJSA-N 2 2 315.314 3.782 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C[N@@H+]1C1CC1 ZINC000623834418 1017531503 /nfs/dbraw/zinc/53/15/03/1017531503.db2.gz XQBDVXMXLWLNND-GXTWGEPZSA-N 2 2 317.864 3.579 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C[N@H+]1C1CC1 ZINC000623834418 1017531513 /nfs/dbraw/zinc/53/15/13/1017531513.db2.gz XQBDVXMXLWLNND-GXTWGEPZSA-N 2 2 317.864 3.579 20 0 DHADLP Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCn1cc[nH+]c1 ZINC000623851546 1017541003 /nfs/dbraw/zinc/54/10/03/1017541003.db2.gz AZJNHROEQFKUIQ-INIZCTEOSA-N 2 2 314.820 3.685 20 0 DHADLP Cc1nc(NCc2ccccc2C[NH+]2CCCCCC2)cc[nH+]1 ZINC000078254215 1017544175 /nfs/dbraw/zinc/54/41/75/1017544175.db2.gz DDCFCUQAKHABPD-UHFFFAOYSA-N 2 2 310.445 3.773 20 0 DHADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171496460 1032735282 /nfs/dbraw/zinc/73/52/82/1032735282.db2.gz BYIWNUHLEXNOFC-QGZVFWFLSA-N 2 2 322.443 3.627 20 0 DHADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171496460 1032735298 /nfs/dbraw/zinc/73/52/98/1032735298.db2.gz BYIWNUHLEXNOFC-QGZVFWFLSA-N 2 2 322.443 3.627 20 0 DHADLP c1coc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccc2)c1 ZINC000183703081 1018037454 /nfs/dbraw/zinc/03/74/54/1018037454.db2.gz JDAAKWQXYDQDLH-LJQANCHMSA-N 2 2 307.397 3.856 20 0 DHADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)sc1C ZINC000185683184 1018126403 /nfs/dbraw/zinc/12/64/03/1018126403.db2.gz UQEPQXUOTFMPHL-DZGCQCFKSA-N 2 2 307.507 3.503 20 0 DHADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)sc1C ZINC000185683184 1018126409 /nfs/dbraw/zinc/12/64/09/1018126409.db2.gz UQEPQXUOTFMPHL-DZGCQCFKSA-N 2 2 307.507 3.503 20 0 DHADLP COc1ccnc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000925183888 1018164973 /nfs/dbraw/zinc/16/49/73/1018164973.db2.gz KTGFUHDXHBFRHB-LSDHHAIUSA-N 2 2 322.412 3.688 20 0 DHADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC001168530699 1018170596 /nfs/dbraw/zinc/17/05/96/1018170596.db2.gz PQDFTHOEXRFIFQ-MBOZVWFJSA-N 2 2 300.490 3.575 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000446757362 1018246174 /nfs/dbraw/zinc/24/61/74/1018246174.db2.gz SRSIRFQWXMCWJQ-PBHICJAKSA-N 2 2 320.502 3.696 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000446757362 1018246178 /nfs/dbraw/zinc/24/61/78/1018246178.db2.gz SRSIRFQWXMCWJQ-PBHICJAKSA-N 2 2 320.502 3.696 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CC2CCC1CC2 ZINC000381581045 1018264555 /nfs/dbraw/zinc/26/45/55/1018264555.db2.gz BRILQABFSOHHMQ-BOMAWHNGSA-N 2 2 313.489 3.855 20 0 DHADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427844595 1018337716 /nfs/dbraw/zinc/33/77/16/1018337716.db2.gz OGHLUOUIWBDTTC-RISCZKNCSA-N 2 2 319.861 3.678 20 0 DHADLP CC[N@H+](CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)C1CC1 ZINC000155855685 1018362853 /nfs/dbraw/zinc/36/28/53/1018362853.db2.gz WCXRSHCIIJOCBH-KGLIPLIRSA-N 2 2 317.502 3.862 20 0 DHADLP CC[N@@H+](CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)C1CC1 ZINC000155855685 1018362862 /nfs/dbraw/zinc/36/28/62/1018362862.db2.gz WCXRSHCIIJOCBH-KGLIPLIRSA-N 2 2 317.502 3.862 20 0 DHADLP CCc1[nH+]ccn1CC1CCC(Cn2cc[nH+]c2CC)CC1 ZINC000447297598 1018371191 /nfs/dbraw/zinc/37/11/91/1018371191.db2.gz ABTOVTHCKCIQJY-UHFFFAOYSA-N 2 2 300.450 3.711 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658282529 1018397140 /nfs/dbraw/zinc/39/71/40/1018397140.db2.gz HQRPOKPWCHJQIA-DOMZBBRYSA-N 2 2 305.372 3.814 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447578901 1018436066 /nfs/dbraw/zinc/43/60/66/1018436066.db2.gz LTHMLEQDABYBAX-HNAYVOBHSA-N 2 2 324.472 3.639 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447578901 1018436070 /nfs/dbraw/zinc/43/60/70/1018436070.db2.gz LTHMLEQDABYBAX-HNAYVOBHSA-N 2 2 324.472 3.639 20 0 DHADLP CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000300411974 1032765070 /nfs/dbraw/zinc/76/50/70/1032765070.db2.gz QUUXCUQRVJVOEG-UKPHBRMFSA-N 2 2 301.459 3.807 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000115624248 1018568689 /nfs/dbraw/zinc/56/86/89/1018568689.db2.gz DVLWETWYKDJANK-GUYCJALGSA-N 2 2 316.420 3.894 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC000675740325 1018570446 /nfs/dbraw/zinc/57/04/46/1018570446.db2.gz CKDBSJKFLGQCRT-YLJYHZDGSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC000675740325 1018570455 /nfs/dbraw/zinc/57/04/55/1018570455.db2.gz CKDBSJKFLGQCRT-YLJYHZDGSA-N 2 2 315.505 3.852 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000675923457 1018626416 /nfs/dbraw/zinc/62/64/16/1018626416.db2.gz SEWDKJXQUGYWBT-VQTJNVASSA-N 2 2 317.436 3.981 20 0 DHADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cncc(F)c1 ZINC000675924657 1018626516 /nfs/dbraw/zinc/62/65/16/1018626516.db2.gz ZXQMFCXYPZVURK-KBXCAEBGSA-N 2 2 324.403 3.589 20 0 DHADLP C[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000675928734 1018628511 /nfs/dbraw/zinc/62/85/11/1018628511.db2.gz WDRCLOALJITRJT-JKSUJKDBSA-N 2 2 306.413 3.722 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000765251308 1018727881 /nfs/dbraw/zinc/72/78/81/1018727881.db2.gz OMCRPZVMAQLBNU-SJORKVTESA-N 2 2 301.409 3.714 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3CCCC3)CC2)cc1 ZINC000765320660 1018757513 /nfs/dbraw/zinc/75/75/13/1018757513.db2.gz HHNOFENJWLCSOY-UHFFFAOYSA-N 2 2 301.478 3.501 20 0 DHADLP C[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000765439643 1018789745 /nfs/dbraw/zinc/78/97/45/1018789745.db2.gz PRAKTXBFSDCFNK-IRXDYDNUSA-N 2 2 321.424 3.990 20 0 DHADLP c1ccc([C@@H](C[NH2+][C@@H]2CCCSCC2)[NH+]2CCCC2)cc1 ZINC000657817245 1018846833 /nfs/dbraw/zinc/84/68/33/1018846833.db2.gz NFQBIWVBGNDRTJ-QZTJIDSGSA-N 2 2 304.503 3.699 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000921798109 1018865324 /nfs/dbraw/zinc/86/53/24/1018865324.db2.gz DLWOYFODZJWLQO-OAHLLOKOSA-N 2 2 319.408 3.658 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000316803319 1018869456 /nfs/dbraw/zinc/86/94/56/1018869456.db2.gz JBYJHJHZXVUOHN-WBMJQRKESA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000316803319 1018869479 /nfs/dbraw/zinc/86/94/79/1018869479.db2.gz JBYJHJHZXVUOHN-WBMJQRKESA-N 2 2 319.836 3.554 20 0 DHADLP Clc1cccc2c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000672166924 1018980392 /nfs/dbraw/zinc/98/03/92/1018980392.db2.gz OPSSZRLIJZTSEL-STQMWFEESA-N 2 2 301.821 3.927 20 0 DHADLP Clc1cccc2c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000672166924 1018980394 /nfs/dbraw/zinc/98/03/94/1018980394.db2.gz OPSSZRLIJZTSEL-STQMWFEESA-N 2 2 301.821 3.927 20 0 DHADLP CC[C@@H](C[NH2+][C@@H](C)c1cc2ccncc2s1)[NH+]1CCCC1 ZINC000657833988 1019013146 /nfs/dbraw/zinc/01/31/46/1019013146.db2.gz XYQSPSGUXSWGRY-ZFWWWQNUSA-N 2 2 303.475 3.821 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000387016588 1019038549 /nfs/dbraw/zinc/03/85/49/1019038549.db2.gz HSJUFWQGJATTBP-CYBMUJFWSA-N 2 2 312.404 3.813 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000347916589 1019108367 /nfs/dbraw/zinc/10/83/67/1019108367.db2.gz FKPAOGSYBBBVFT-MRXNPFEDSA-N 3 2 314.477 3.562 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000347916589 1019108371 /nfs/dbraw/zinc/10/83/71/1019108371.db2.gz FKPAOGSYBBBVFT-MRXNPFEDSA-N 3 2 314.477 3.562 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCc3ccc4ccccc4c3)C2)[nH]1 ZINC000080959247 1019134535 /nfs/dbraw/zinc/13/45/35/1019134535.db2.gz MGIONJVDLRYXIV-LJQANCHMSA-N 2 2 305.425 3.985 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCc3ccc4ccccc4c3)C2)[nH]1 ZINC000080959247 1019134543 /nfs/dbraw/zinc/13/45/43/1019134543.db2.gz MGIONJVDLRYXIV-LJQANCHMSA-N 2 2 305.425 3.985 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCc3ccc4ccccc4c3)C2)[nH]1 ZINC000080959245 1019135011 /nfs/dbraw/zinc/13/50/11/1019135011.db2.gz MGIONJVDLRYXIV-IBGZPJMESA-N 2 2 305.425 3.985 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](CCc3ccc4ccccc4c3)C2)[nH]1 ZINC000080959245 1019135015 /nfs/dbraw/zinc/13/50/15/1019135015.db2.gz MGIONJVDLRYXIV-IBGZPJMESA-N 2 2 305.425 3.985 20 0 DHADLP FC1(F)CCC(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000656482881 1019193296 /nfs/dbraw/zinc/19/32/96/1019193296.db2.gz XJJXFBMMCMMBOF-UHFFFAOYSA-N 2 2 309.404 3.783 20 0 DHADLP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)o1 ZINC000628201983 1019245333 /nfs/dbraw/zinc/24/53/33/1019245333.db2.gz CPEIIEPJONBJKJ-OAHLLOKOSA-N 2 2 313.445 3.647 20 0 DHADLP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)o1 ZINC000628201983 1019245336 /nfs/dbraw/zinc/24/53/36/1019245336.db2.gz CPEIIEPJONBJKJ-OAHLLOKOSA-N 2 2 313.445 3.647 20 0 DHADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000089614246 1019355215 /nfs/dbraw/zinc/35/52/15/1019355215.db2.gz WXQGSPVHRIPNPS-MGPUTAFESA-N 2 2 307.441 3.574 20 0 DHADLP CCC[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347682427 1019370504 /nfs/dbraw/zinc/37/05/04/1019370504.db2.gz XUUOGILKJFTUCM-UHFFFAOYSA-N 2 2 303.475 3.617 20 0 DHADLP CCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347682427 1019370520 /nfs/dbraw/zinc/37/05/20/1019370520.db2.gz XUUOGILKJFTUCM-UHFFFAOYSA-N 2 2 303.475 3.617 20 0 DHADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCSCc2ccccc2)C1 ZINC000611185903 1019411056 /nfs/dbraw/zinc/41/10/56/1019411056.db2.gz CTVLHMPFMNDXNO-SFHVURJKSA-N 2 2 306.519 3.772 20 0 DHADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCSCc2ccccc2)C1 ZINC000611185903 1019411060 /nfs/dbraw/zinc/41/10/60/1019411060.db2.gz CTVLHMPFMNDXNO-SFHVURJKSA-N 2 2 306.519 3.772 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ncccc2F)cc1 ZINC000090720846 1019414813 /nfs/dbraw/zinc/41/48/13/1019414813.db2.gz PUVJOSFNCHHMGR-ZDUSSCGKSA-N 2 2 310.376 3.566 20 0 DHADLP FC(F)(F)c1ccc2c(NCCCn3cc[nH+]c3)cc[nH+]c2c1 ZINC000091424657 1019465618 /nfs/dbraw/zinc/46/56/18/1019465618.db2.gz YZQUPXXXLLFGDC-UHFFFAOYSA-N 2 2 320.318 3.952 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)[nH]1 ZINC000092072510 1019502004 /nfs/dbraw/zinc/50/20/04/1019502004.db2.gz LILSVJAVHHTJDH-HNNXBMFYSA-N 2 2 324.453 3.913 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)[nH]1 ZINC000092072510 1019502015 /nfs/dbraw/zinc/50/20/15/1019502015.db2.gz LILSVJAVHHTJDH-HNNXBMFYSA-N 2 2 324.453 3.913 20 0 DHADLP CC(C)(CC(F)(F)F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000681987946 1019591532 /nfs/dbraw/zinc/59/15/32/1019591532.db2.gz FJNVMTQCTXVIEH-UHFFFAOYSA-N 2 2 303.353 3.754 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657880967 1019737949 /nfs/dbraw/zinc/73/79/49/1019737949.db2.gz LQNINEXZHOAQOV-DOTOQJQBSA-N 2 2 306.519 3.991 20 0 DHADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000067507102 1019755121 /nfs/dbraw/zinc/75/51/21/1019755121.db2.gz CZVKWIRIQYOIED-INIZCTEOSA-N 2 2 318.848 3.935 20 0 DHADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000067507102 1019755140 /nfs/dbraw/zinc/75/51/40/1019755140.db2.gz CZVKWIRIQYOIED-INIZCTEOSA-N 2 2 318.848 3.935 20 0 DHADLP CSc1ccc([C@H](CNc2cccc(C)[nH+]2)[NH+](C)C)cc1 ZINC000338829108 1019877031 /nfs/dbraw/zinc/87/70/31/1019877031.db2.gz AYOUEQJYHAPTPX-INIZCTEOSA-N 2 2 301.459 3.827 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657897816 1019895161 /nfs/dbraw/zinc/89/51/61/1019895161.db2.gz WQJLQCPTVOSCQB-DLBZAZTESA-N 2 2 315.486 3.579 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000157784444 1019907621 /nfs/dbraw/zinc/90/76/21/1019907621.db2.gz AYMARHVGQRMVLL-NVXWUHKLSA-N 2 2 324.415 3.813 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000157784444 1019907629 /nfs/dbraw/zinc/90/76/29/1019907629.db2.gz AYMARHVGQRMVLL-NVXWUHKLSA-N 2 2 324.415 3.813 20 0 DHADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000685629503 1019988582 /nfs/dbraw/zinc/98/85/82/1019988582.db2.gz ULOMUNCJKAEALY-INDWDQIESA-N 2 2 301.821 3.614 20 0 DHADLP c1csc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000101549714 1020053320 /nfs/dbraw/zinc/05/33/20/1020053320.db2.gz UJUQDFSRANDOFR-INIZCTEOSA-N 2 2 324.453 3.708 20 0 DHADLP c1csc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000101549714 1020053330 /nfs/dbraw/zinc/05/33/30/1020053330.db2.gz UJUQDFSRANDOFR-INIZCTEOSA-N 2 2 324.453 3.708 20 0 DHADLP C[C@@]1(C[NH2+]C2CC(CF)(CF)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000657982075 1020068443 /nfs/dbraw/zinc/06/84/43/1020068443.db2.gz UCPGSQLTNTWVTQ-SFHVURJKSA-N 2 2 322.443 3.719 20 0 DHADLP C[C@@]1(C[NH2+]C2CC(CF)(CF)C2)CCC[N@H+]1Cc1ccccc1 ZINC000657982075 1020068455 /nfs/dbraw/zinc/06/84/55/1020068455.db2.gz UCPGSQLTNTWVTQ-SFHVURJKSA-N 2 2 322.443 3.719 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)CCC2 ZINC000658092842 1020135567 /nfs/dbraw/zinc/13/55/67/1020135567.db2.gz RSWLXWMZQRZUSQ-CRAIPNDOSA-N 2 2 302.462 3.535 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)CCC2 ZINC000658092842 1020135571 /nfs/dbraw/zinc/13/55/71/1020135571.db2.gz RSWLXWMZQRZUSQ-CRAIPNDOSA-N 2 2 302.462 3.535 20 0 DHADLP C[C@@H]1CC(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)C1 ZINC000658128118 1020178386 /nfs/dbraw/zinc/17/83/86/1020178386.db2.gz RXWJXYMSRITNBB-HOTGVXAUSA-N 2 2 301.478 3.712 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000113515309 1020197370 /nfs/dbraw/zinc/19/73/70/1020197370.db2.gz YEDGSKHOAXNEIF-LBPRGKRZSA-N 2 2 308.878 3.938 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000113515309 1020197377 /nfs/dbraw/zinc/19/73/77/1020197377.db2.gz YEDGSKHOAXNEIF-LBPRGKRZSA-N 2 2 308.878 3.938 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000390576281 1020209255 /nfs/dbraw/zinc/20/92/55/1020209255.db2.gz WKBLFRMYNVEIPG-LJQANCHMSA-N 2 2 312.432 3.888 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1F ZINC000390576281 1020209267 /nfs/dbraw/zinc/20/92/67/1020209267.db2.gz WKBLFRMYNVEIPG-LJQANCHMSA-N 2 2 312.432 3.888 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000765799856 1020238133 /nfs/dbraw/zinc/23/81/33/1020238133.db2.gz IXWQDSWIANLVDW-HZPDHXFCSA-N 2 2 304.478 3.999 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000765799856 1020238142 /nfs/dbraw/zinc/23/81/42/1020238142.db2.gz IXWQDSWIANLVDW-HZPDHXFCSA-N 2 2 304.478 3.999 20 0 DHADLP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000921645369 1020265923 /nfs/dbraw/zinc/26/59/23/1020265923.db2.gz STZTXQSTFTZZGR-SOUVJXGZSA-N 2 2 321.534 3.759 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658282531 1020279760 /nfs/dbraw/zinc/27/97/60/1020279760.db2.gz HQRPOKPWCHJQIA-IUODEOHRSA-N 2 2 305.372 3.814 20 0 DHADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000658287967 1020284356 /nfs/dbraw/zinc/28/43/56/1020284356.db2.gz PRYOQPUDOIJLOR-OXQOHEQNSA-N 2 2 309.457 3.884 20 0 DHADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000658287967 1020284364 /nfs/dbraw/zinc/28/43/64/1020284364.db2.gz PRYOQPUDOIJLOR-OXQOHEQNSA-N 2 2 309.457 3.884 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2sccc21 ZINC000658294658 1020287040 /nfs/dbraw/zinc/28/70/40/1020287040.db2.gz JGQKUJRMMMRWER-KMFMINBZSA-N 2 2 320.502 3.529 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCC3(C)C)CC2)cc1 ZINC000766190566 1020302363 /nfs/dbraw/zinc/30/23/63/1020302363.db2.gz IRUVJDRDROFZOA-LJQANCHMSA-N 2 2 315.505 3.890 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(OC(F)F)c1 ZINC000655848886 1020420991 /nfs/dbraw/zinc/42/09/91/1020420991.db2.gz LAGPGKUOPSOTBK-RRQGHBQHSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(OC(F)F)c1 ZINC000655848886 1020420994 /nfs/dbraw/zinc/42/09/94/1020420994.db2.gz LAGPGKUOPSOTBK-RRQGHBQHSA-N 2 2 324.415 3.956 20 0 DHADLP c1cncc(-c2cccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)c2)c1 ZINC000655857305 1020431496 /nfs/dbraw/zinc/43/14/96/1020431496.db2.gz RZPWKWOQTVMFTD-SFTDATJTSA-N 2 2 321.468 3.855 20 0 DHADLP c1cncc(-c2cccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)c2)c1 ZINC000655857305 1020431502 /nfs/dbraw/zinc/43/15/02/1020431502.db2.gz RZPWKWOQTVMFTD-SFTDATJTSA-N 2 2 321.468 3.855 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474482607 1020498528 /nfs/dbraw/zinc/49/85/28/1020498528.db2.gz MWDWNIMJYJZOHN-PPWQZUPISA-N 2 2 306.416 3.818 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474482607 1020498532 /nfs/dbraw/zinc/49/85/32/1020498532.db2.gz MWDWNIMJYJZOHN-PPWQZUPISA-N 2 2 306.416 3.818 20 0 DHADLP CC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766192816 1020510024 /nfs/dbraw/zinc/51/00/24/1020510024.db2.gz XLCKPMQWJPGEPI-UZLBHIALSA-N 2 2 315.505 3.890 20 0 DHADLP CC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766192815 1020510714 /nfs/dbraw/zinc/51/07/14/1020510714.db2.gz XLCKPMQWJPGEPI-OXQOHEQNSA-N 2 2 315.505 3.890 20 0 DHADLP CC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766192813 1020511592 /nfs/dbraw/zinc/51/15/92/1020511592.db2.gz XLCKPMQWJPGEPI-JXFKEZNVSA-N 2 2 315.505 3.890 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000353933960 1020576815 /nfs/dbraw/zinc/57/68/15/1020576815.db2.gz XJIKAHYONPBKSK-FEPKRQSRSA-N 2 2 303.372 3.618 20 0 DHADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCC(C(F)(F)F)CC1 ZINC000475090228 1020580647 /nfs/dbraw/zinc/58/06/47/1020580647.db2.gz QTTQJDXOSKYZDH-IYXRBSQSSA-N 2 2 306.416 3.818 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171957880 1032923921 /nfs/dbraw/zinc/92/39/21/1032923921.db2.gz GFJLHQCUYWZXRY-CJNGLKHVSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171957880 1032923928 /nfs/dbraw/zinc/92/39/28/1032923928.db2.gz GFJLHQCUYWZXRY-CJNGLKHVSA-N 2 2 314.395 3.710 20 0 DHADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000309725341 1020730657 /nfs/dbraw/zinc/73/06/57/1020730657.db2.gz NLCDFFYOQQYKNJ-SFHVURJKSA-N 2 2 312.457 3.844 20 0 DHADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000309725341 1020730665 /nfs/dbraw/zinc/73/06/65/1020730665.db2.gz NLCDFFYOQQYKNJ-SFHVURJKSA-N 2 2 312.457 3.844 20 0 DHADLP c1csc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000309944089 1020757391 /nfs/dbraw/zinc/75/73/91/1020757391.db2.gz CMAMDMIMTMFSSO-QGZVFWFLSA-N 2 2 315.486 3.535 20 0 DHADLP c1csc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000309944089 1020757396 /nfs/dbraw/zinc/75/73/96/1020757396.db2.gz CMAMDMIMTMFSSO-QGZVFWFLSA-N 2 2 315.486 3.535 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccn1 ZINC000736647666 1020826882 /nfs/dbraw/zinc/82/68/82/1020826882.db2.gz KTHJRUVZIJJJGM-LJQANCHMSA-N 2 2 324.403 3.893 20 0 DHADLP CC[C@H](Cc1ccccc1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716276275 1020843665 /nfs/dbraw/zinc/84/36/65/1020843665.db2.gz BSIOPYPJRJJIQT-OAQYLSRUSA-N 2 2 308.469 3.729 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414075165 1020850318 /nfs/dbraw/zinc/85/03/18/1020850318.db2.gz XKRSQINLCQFFJH-ZIAGYGMSSA-N 2 2 312.442 3.746 20 0 DHADLP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000858531804 1032935386 /nfs/dbraw/zinc/93/53/86/1032935386.db2.gz AZHQWZYPLSLNHY-YJBOKZPZSA-N 2 2 302.462 3.753 20 0 DHADLP CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000858531804 1032935396 /nfs/dbraw/zinc/93/53/96/1032935396.db2.gz AZHQWZYPLSLNHY-YJBOKZPZSA-N 2 2 302.462 3.753 20 0 DHADLP Cc1[nH+]ccn1CC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000766239587 1020922282 /nfs/dbraw/zinc/92/22/82/1020922282.db2.gz MURLUOMOCAKDDO-UHFFFAOYSA-N 2 2 308.429 3.552 20 0 DHADLP C[C@H]1CCCC[C@H]1[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000628371418 1020947632 /nfs/dbraw/zinc/94/76/32/1020947632.db2.gz DYFSBDZPXRTHBL-MAUKXSAKSA-N 2 2 301.478 3.978 20 0 DHADLP Clc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000337383714 1032956028 /nfs/dbraw/zinc/95/60/28/1032956028.db2.gz KFCAZJCURBYUCU-ZDUSSCGKSA-N 2 2 319.836 3.845 20 0 DHADLP Clc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000337383714 1032956039 /nfs/dbraw/zinc/95/60/39/1032956039.db2.gz KFCAZJCURBYUCU-ZDUSSCGKSA-N 2 2 319.836 3.845 20 0 DHADLP CC1(C)CC2(CO1)CCC([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC001202289881 1021203731 /nfs/dbraw/zinc/20/37/31/1021203731.db2.gz WBVYWXSVGQFLEM-IPCDKGFNSA-N 2 2 320.521 3.721 20 0 DHADLP CC1(C)CC2(CO1)CCC([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC2 ZINC001202289881 1021203743 /nfs/dbraw/zinc/20/37/43/1021203743.db2.gz WBVYWXSVGQFLEM-IPCDKGFNSA-N 2 2 320.521 3.721 20 0 DHADLP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)CO1 ZINC001171986196 1032972289 /nfs/dbraw/zinc/97/22/89/1032972289.db2.gz GJWRQOAZSGVJCP-YQVWRLOYSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)CO1 ZINC001171986196 1032972296 /nfs/dbraw/zinc/97/22/96/1032972296.db2.gz GJWRQOAZSGVJCP-YQVWRLOYSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)CO1 ZINC001171986196 1032972300 /nfs/dbraw/zinc/97/23/00/1032972300.db2.gz GJWRQOAZSGVJCP-YQVWRLOYSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)CO1 ZINC001171986196 1032972305 /nfs/dbraw/zinc/97/23/05/1032972305.db2.gz GJWRQOAZSGVJCP-YQVWRLOYSA-N 2 2 316.489 3.539 20 0 DHADLP CC(C)CC1([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000850404530 1021513828 /nfs/dbraw/zinc/51/38/28/1021513828.db2.gz MZMLGZZXAARAAB-UHFFFAOYSA-N 2 2 315.505 3.890 20 0 DHADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000556118923 1021543403 /nfs/dbraw/zinc/54/34/03/1021543403.db2.gz MLIJIAPSVGDWDO-PCCBWWKXSA-N 2 2 324.468 3.799 20 0 DHADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000556118923 1021543412 /nfs/dbraw/zinc/54/34/12/1021543412.db2.gz MLIJIAPSVGDWDO-PCCBWWKXSA-N 2 2 324.468 3.799 20 0 DHADLP COCC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000353126077 1021633461 /nfs/dbraw/zinc/63/34/61/1021633461.db2.gz RMEVIZKWUZLTPN-UHFFFAOYSA-N 2 2 313.445 3.559 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)[C@H](C)C1 ZINC000093639455 1021639275 /nfs/dbraw/zinc/63/92/75/1021639275.db2.gz WIOKDIMMPASBRX-HIFRSBDPSA-N 2 2 309.523 3.603 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)[C@H](C)C1 ZINC000093639455 1021639280 /nfs/dbraw/zinc/63/92/80/1021639280.db2.gz WIOKDIMMPASBRX-HIFRSBDPSA-N 2 2 309.523 3.603 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)[C@H](C)C1 ZINC000093639455 1021639287 /nfs/dbraw/zinc/63/92/87/1021639287.db2.gz WIOKDIMMPASBRX-HIFRSBDPSA-N 2 2 309.523 3.603 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)[C@H](C)C1 ZINC000093639455 1021639293 /nfs/dbraw/zinc/63/92/93/1021639293.db2.gz WIOKDIMMPASBRX-HIFRSBDPSA-N 2 2 309.523 3.603 20 0 DHADLP COc1ccc2ccccc2c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093643834 1021640719 /nfs/dbraw/zinc/64/07/19/1021640719.db2.gz GUMILWNWBLSPPI-DOTOQJQBSA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc2ccccc2c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093643834 1021640722 /nfs/dbraw/zinc/64/07/22/1021640722.db2.gz GUMILWNWBLSPPI-DOTOQJQBSA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc2ccccc2c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093643834 1021640728 /nfs/dbraw/zinc/64/07/28/1021640728.db2.gz GUMILWNWBLSPPI-DOTOQJQBSA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc2ccccc2c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093643834 1021640730 /nfs/dbraw/zinc/64/07/30/1021640730.db2.gz GUMILWNWBLSPPI-DOTOQJQBSA-N 2 2 312.457 3.763 20 0 DHADLP CC(C)Cc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000892869784 1021653296 /nfs/dbraw/zinc/65/32/96/1021653296.db2.gz CESOMUDEGCXWLH-UHFFFAOYSA-N 2 2 312.461 3.657 20 0 DHADLP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000556583423 1021783029 /nfs/dbraw/zinc/78/30/29/1021783029.db2.gz IPVMFKAZDGVNTB-CVEARBPZSA-N 2 2 314.395 3.883 20 0 DHADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000556583423 1021783043 /nfs/dbraw/zinc/78/30/43/1021783043.db2.gz IPVMFKAZDGVNTB-CVEARBPZSA-N 2 2 314.395 3.883 20 0 DHADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000556583425 1021783982 /nfs/dbraw/zinc/78/39/82/1021783982.db2.gz IPVMFKAZDGVNTB-HZPDHXFCSA-N 2 2 314.395 3.883 20 0 DHADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000556583425 1021783992 /nfs/dbraw/zinc/78/39/92/1021783992.db2.gz IPVMFKAZDGVNTB-HZPDHXFCSA-N 2 2 314.395 3.883 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337457413 1033008263 /nfs/dbraw/zinc/00/82/63/1033008263.db2.gz JNGKUILRGFDVLM-HNNXBMFYSA-N 2 2 304.482 3.522 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC000236797147 1021891731 /nfs/dbraw/zinc/89/17/31/1021891731.db2.gz WOSOWINFAKCOQN-HXUWFJFHSA-N 2 2 309.457 3.635 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000262566821 1021961029 /nfs/dbraw/zinc/96/10/29/1021961029.db2.gz WURLVMHZGBVKOK-GDBMZVCRSA-N 2 2 315.486 3.535 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000262566821 1021961035 /nfs/dbraw/zinc/96/10/35/1021961035.db2.gz WURLVMHZGBVKOK-GDBMZVCRSA-N 2 2 315.486 3.535 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2cccs2)Cc2ccc(F)cc2)CC1 ZINC001204017692 1022175676 /nfs/dbraw/zinc/17/56/76/1022175676.db2.gz XPAVAYQIWPDOJN-UHFFFAOYSA-N 2 2 318.461 3.984 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2cccs2)Cc2ccc(F)cc2)CC1 ZINC001204017692 1022175683 /nfs/dbraw/zinc/17/56/83/1022175683.db2.gz XPAVAYQIWPDOJN-UHFFFAOYSA-N 2 2 318.461 3.984 20 0 DHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2cccs2)CC1 ZINC001204018571 1022178302 /nfs/dbraw/zinc/17/83/02/1022178302.db2.gz PFMMHJPYQKWMAI-UHFFFAOYSA-N 2 2 318.461 3.984 20 0 DHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2cccs2)CC1 ZINC001204018571 1022178307 /nfs/dbraw/zinc/17/83/07/1022178307.db2.gz PFMMHJPYQKWMAI-UHFFFAOYSA-N 2 2 318.461 3.984 20 0 DHADLP CCCSC[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000893203138 1022231259 /nfs/dbraw/zinc/23/12/59/1022231259.db2.gz VNMUAFMWWRZUJW-JKSUJKDBSA-N 2 2 321.534 3.728 20 0 DHADLP CC(C)(C)CC(C)(C)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001169051797 1022231304 /nfs/dbraw/zinc/23/13/04/1022231304.db2.gz AMQXQRRKKNTXCM-MRXNPFEDSA-N 2 2 303.494 3.846 20 0 DHADLP CC(C)(C)CC(C)(C)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001169051797 1022231315 /nfs/dbraw/zinc/23/13/15/1022231315.db2.gz AMQXQRRKKNTXCM-MRXNPFEDSA-N 2 2 303.494 3.846 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccnc1Cl ZINC000853239686 1022242149 /nfs/dbraw/zinc/24/21/49/1022242149.db2.gz JFHSUPSSFCUWFG-HIFRSBDPSA-N 2 2 307.869 3.508 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccnc1Cl ZINC000853239686 1022242160 /nfs/dbraw/zinc/24/21/60/1022242160.db2.gz JFHSUPSSFCUWFG-HIFRSBDPSA-N 2 2 307.869 3.508 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)C2 ZINC001169091883 1022259447 /nfs/dbraw/zinc/25/94/47/1022259447.db2.gz WWZQPZLPXQZBIQ-ZSOGYDGISA-N 2 2 316.342 3.559 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)C2 ZINC001169091883 1022259451 /nfs/dbraw/zinc/25/94/51/1022259451.db2.gz WWZQPZLPXQZBIQ-ZSOGYDGISA-N 2 2 316.342 3.559 20 0 DHADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000267523607 1022312437 /nfs/dbraw/zinc/31/24/37/1022312437.db2.gz OMCFPEPIISEFSW-WMLDXEAASA-N 2 2 315.486 3.594 20 0 DHADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000267523607 1022312450 /nfs/dbraw/zinc/31/24/50/1022312450.db2.gz OMCFPEPIISEFSW-WMLDXEAASA-N 2 2 315.486 3.594 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC000268695306 1022373574 /nfs/dbraw/zinc/37/35/74/1022373574.db2.gz BEMIEVVCZODJMT-LNLFQRSKSA-N 2 2 309.457 3.785 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC000268695306 1022373589 /nfs/dbraw/zinc/37/35/89/1022373589.db2.gz BEMIEVVCZODJMT-LNLFQRSKSA-N 2 2 309.457 3.785 20 0 DHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000155979840 1022432932 /nfs/dbraw/zinc/43/29/32/1022432932.db2.gz MDKACQDDOZLGHD-XLIONFOSSA-N 2 2 309.457 3.787 20 0 DHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000155979840 1022432940 /nfs/dbraw/zinc/43/29/40/1022432940.db2.gz MDKACQDDOZLGHD-XLIONFOSSA-N 2 2 309.457 3.787 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854228443 1022435257 /nfs/dbraw/zinc/43/52/57/1022435257.db2.gz WIKQEWHHPAZJEU-XNYLIXPXSA-N 2 2 324.440 3.720 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000272348819 1022499188 /nfs/dbraw/zinc/49/91/88/1022499188.db2.gz QFYBFZFRZCOOJZ-YQQAZPJKSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000272348819 1022499196 /nfs/dbraw/zinc/49/91/96/1022499196.db2.gz QFYBFZFRZCOOJZ-YQQAZPJKSA-N 2 2 315.486 3.704 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000179636399 1022499492 /nfs/dbraw/zinc/49/94/92/1022499492.db2.gz VBKUHNXAKHUYBC-CYBMUJFWSA-N 2 2 318.408 3.682 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000179636399 1022499497 /nfs/dbraw/zinc/49/94/97/1022499497.db2.gz VBKUHNXAKHUYBC-CYBMUJFWSA-N 2 2 318.408 3.682 20 0 DHADLP CC[NH+](CC)C1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172201240 1033060292 /nfs/dbraw/zinc/06/02/92/1033060292.db2.gz GEWVEELNDRQCNJ-QGZVFWFLSA-N 2 2 304.503 3.510 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21)[NH+](C)C ZINC000671108700 1022526473 /nfs/dbraw/zinc/52/64/73/1022526473.db2.gz MNAIDVBMCDQJOQ-LSDHHAIUSA-N 2 2 301.478 3.764 20 0 DHADLP CCC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccn1 ZINC000158600922 1022648329 /nfs/dbraw/zinc/64/83/29/1022648329.db2.gz FFGYFWPBMBGVMN-IBGZPJMESA-N 2 2 320.440 3.957 20 0 DHADLP COCCC[NH+]1CCC([N@H+](C)[C@@H](C)c2ccccc2Cl)CC1 ZINC001172254355 1033070046 /nfs/dbraw/zinc/07/00/46/1033070046.db2.gz KYECLMTWLJPQLV-HNNXBMFYSA-N 2 2 324.896 3.834 20 0 DHADLP COCCC[NH+]1CCC([N@@H+](C)[C@@H](C)c2ccccc2Cl)CC1 ZINC001172254355 1033070061 /nfs/dbraw/zinc/07/00/61/1033070061.db2.gz KYECLMTWLJPQLV-HNNXBMFYSA-N 2 2 324.896 3.834 20 0 DHADLP CO[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)CC(C)C ZINC000417330422 1022689817 /nfs/dbraw/zinc/68/98/17/1022689817.db2.gz DPZBKDKDQMSBKO-MAUKXSAKSA-N 2 2 301.434 3.584 20 0 DHADLP Cc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000641770755 1022699481 /nfs/dbraw/zinc/69/94/81/1022699481.db2.gz DQCDZHNTGFUAIS-CHWSQXEVSA-N 2 2 322.250 3.693 20 0 DHADLP CCc1nocc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000660202693 1022705440 /nfs/dbraw/zinc/70/54/40/1022705440.db2.gz GLZYPFMAKAXYHD-ZDUSSCGKSA-N 2 2 310.401 3.582 20 0 DHADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000768087556 1022875319 /nfs/dbraw/zinc/87/53/19/1022875319.db2.gz UAXZFASKVPBLCD-UONOGXRCSA-N 2 2 314.395 3.883 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000768102646 1022886746 /nfs/dbraw/zinc/88/67/46/1022886746.db2.gz ANSNCRSTKPRFME-RTBURBONSA-N 2 2 314.473 3.537 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000768102646 1022886763 /nfs/dbraw/zinc/88/67/63/1022886763.db2.gz ANSNCRSTKPRFME-RTBURBONSA-N 2 2 314.473 3.537 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000768102644 1022887208 /nfs/dbraw/zinc/88/72/08/1022887208.db2.gz ANSNCRSTKPRFME-RBUKOAKNSA-N 2 2 314.473 3.537 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000768102644 1022887223 /nfs/dbraw/zinc/88/72/23/1022887223.db2.gz ANSNCRSTKPRFME-RBUKOAKNSA-N 2 2 314.473 3.537 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000159285605 1022895476 /nfs/dbraw/zinc/89/54/76/1022895476.db2.gz GJELTEJKRTXWHO-CYBMUJFWSA-N 2 2 310.869 3.874 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000397894902 1022990920 /nfs/dbraw/zinc/99/09/20/1022990920.db2.gz IEJKFOXWSCSHHR-HXUWFJFHSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000397894902 1022990936 /nfs/dbraw/zinc/99/09/36/1022990936.db2.gz IEJKFOXWSCSHHR-HXUWFJFHSA-N 2 2 309.457 3.534 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2N2CCCCC2)CC[N@@H+]1C ZINC000769484207 1023152451 /nfs/dbraw/zinc/15/24/51/1023152451.db2.gz GIWHXAZKEKGQSA-HKUYNNGSSA-N 2 2 315.505 3.591 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2N2CCCCC2)CC[N@H+]1C ZINC000769484207 1023152453 /nfs/dbraw/zinc/15/24/53/1023152453.db2.gz GIWHXAZKEKGQSA-HKUYNNGSSA-N 2 2 315.505 3.591 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2N2CCCCC2)CC[NH+]1C ZINC000769484207 1023152454 /nfs/dbraw/zinc/15/24/54/1023152454.db2.gz GIWHXAZKEKGQSA-HKUYNNGSSA-N 2 2 315.505 3.591 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2N2CCCCC2)CC[NH+]1C ZINC000769484207 1023152459 /nfs/dbraw/zinc/15/24/59/1023152459.db2.gz GIWHXAZKEKGQSA-HKUYNNGSSA-N 2 2 315.505 3.591 20 0 DHADLP Fc1cc(C[NH2+]CCCNc2cccc[nH+]2)ccc1C(F)F ZINC000893361569 1023153244 /nfs/dbraw/zinc/15/32/44/1023153244.db2.gz QPBORCSFOQEDLJ-UHFFFAOYSA-N 2 2 309.335 3.750 20 0 DHADLP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000769872037 1023237212 /nfs/dbraw/zinc/23/72/12/1023237212.db2.gz DPGPKYMTQBJUDV-CYBMUJFWSA-N 2 2 310.401 3.582 20 0 DHADLP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172335064 1033120372 /nfs/dbraw/zinc/12/03/72/1033120372.db2.gz NWFOLUYKYNZRHU-BJLQDIEVSA-N 2 2 318.505 3.834 20 0 DHADLP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172335064 1033120379 /nfs/dbraw/zinc/12/03/79/1033120379.db2.gz NWFOLUYKYNZRHU-BJLQDIEVSA-N 2 2 318.505 3.834 20 0 DHADLP CC[C@@H](C)OCC[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172349850 1033133477 /nfs/dbraw/zinc/13/34/77/1033133477.db2.gz MRWHRWXKNIJEEO-HUUCEWRRSA-N 2 2 301.434 3.775 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876770551 1033140361 /nfs/dbraw/zinc/14/03/61/1033140361.db2.gz HEUKMIBUQKGZJX-OAHLLOKOSA-N 2 2 315.436 3.538 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000876770551 1033140364 /nfs/dbraw/zinc/14/03/64/1033140364.db2.gz HEUKMIBUQKGZJX-OAHLLOKOSA-N 2 2 315.436 3.538 20 0 DHADLP C[NH+](C)CC1CCN(c2ccc([NH2+]CC3(C)CC3)cc2)CC1 ZINC000785497621 1023583971 /nfs/dbraw/zinc/58/39/71/1023583971.db2.gz UTFUHMFPWXQYKE-UHFFFAOYSA-N 2 2 301.478 3.677 20 0 DHADLP CC(C)C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000652191235 1023697584 /nfs/dbraw/zinc/69/75/84/1023697584.db2.gz OJHPXTLIBBFEMZ-IAGOWNOFSA-N 2 2 301.409 3.714 20 0 DHADLP CCc1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cs1 ZINC000048565052 1023796478 /nfs/dbraw/zinc/79/64/78/1023796478.db2.gz DUICTWVMADZTNY-UHFFFAOYSA-N 2 2 321.534 3.794 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cs2)o1 ZINC000652355965 1023813708 /nfs/dbraw/zinc/81/37/08/1023813708.db2.gz ODSDMGXJMLQECX-DOMZBBRYSA-N 2 2 319.474 3.661 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cs2)o1 ZINC000652355965 1023813714 /nfs/dbraw/zinc/81/37/14/1023813714.db2.gz ODSDMGXJMLQECX-DOMZBBRYSA-N 2 2 319.474 3.661 20 0 DHADLP CCCCCC[C@@H](CCC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172386339 1033174076 /nfs/dbraw/zinc/17/40/76/1033174076.db2.gz DDICLYMCTYZPLR-MSOLQXFVSA-N 2 2 310.526 3.968 20 0 DHADLP CCCCCC[C@@H](CCC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172386339 1033174086 /nfs/dbraw/zinc/17/40/86/1033174086.db2.gz DDICLYMCTYZPLR-MSOLQXFVSA-N 2 2 310.526 3.968 20 0 DHADLP CC[C@@H](CC(C)C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001172396904 1033180855 /nfs/dbraw/zinc/18/08/55/1033180855.db2.gz HPNPLDSIZUXACD-IRXDYDNUSA-N 2 2 320.525 3.925 20 0 DHADLP CC[C@@H](CC(C)C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001172396904 1033180864 /nfs/dbraw/zinc/18/08/64/1033180864.db2.gz HPNPLDSIZUXACD-IRXDYDNUSA-N 2 2 320.525 3.925 20 0 DHADLP CC[C@@H](CC(C)C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001172396904 1033180876 /nfs/dbraw/zinc/18/08/76/1033180876.db2.gz HPNPLDSIZUXACD-IRXDYDNUSA-N 2 2 320.525 3.925 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000062254673 1024082721 /nfs/dbraw/zinc/08/27/21/1024082721.db2.gz YDMAWFUJVSUKCJ-KRWDZBQOSA-N 2 2 305.425 3.976 20 0 DHADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC001170114014 1024140236 /nfs/dbraw/zinc/14/02/36/1024140236.db2.gz ZHUZFZQSLXQJKM-LIRRHRJNSA-N 2 2 304.453 3.877 20 0 DHADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268762295 1024155201 /nfs/dbraw/zinc/15/52/01/1024155201.db2.gz IAGMNCZLLLFQNJ-FGTMMUONSA-N 2 2 312.457 3.649 20 0 DHADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000268762295 1024155209 /nfs/dbraw/zinc/15/52/09/1024155209.db2.gz IAGMNCZLLLFQNJ-FGTMMUONSA-N 2 2 312.457 3.649 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cncs1 ZINC000268792263 1024161192 /nfs/dbraw/zinc/16/11/92/1024161192.db2.gz DUWGOHNJWMMFEE-HNNXBMFYSA-N 2 2 315.486 3.501 20 0 DHADLP Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000268815145 1024168643 /nfs/dbraw/zinc/16/86/43/1024168643.db2.gz VPLLFIQFTVGOOA-JXFKEZNVSA-N 2 2 321.424 3.565 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883072834 1024231867 /nfs/dbraw/zinc/23/18/67/1024231867.db2.gz AFCRQTDMELTJBP-WWNBULGVSA-N 2 2 313.489 3.775 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883190705 1024280121 /nfs/dbraw/zinc/28/01/21/1024280121.db2.gz KFNCUUMAINQFSQ-ZIFCJYIRSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883190705 1024280129 /nfs/dbraw/zinc/28/01/29/1024280129.db2.gz KFNCUUMAINQFSQ-ZIFCJYIRSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531728350 1024284910 /nfs/dbraw/zinc/28/49/10/1024284910.db2.gz SRTCQTPIIAYHLK-OLZOCXBDSA-N 2 2 300.899 3.654 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531728350 1024284921 /nfs/dbraw/zinc/28/49/21/1024284921.db2.gz SRTCQTPIIAYHLK-OLZOCXBDSA-N 2 2 300.899 3.654 20 0 DHADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000269954364 1024334047 /nfs/dbraw/zinc/33/40/47/1024334047.db2.gz WBUKGYBJEWPACH-GOSISDBHSA-N 2 2 320.427 3.949 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000270646693 1024412481 /nfs/dbraw/zinc/41/24/81/1024412481.db2.gz KSBPLKQSTFDGRZ-IBGZPJMESA-N 2 2 308.429 3.900 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000270646693 1024412486 /nfs/dbraw/zinc/41/24/86/1024412486.db2.gz KSBPLKQSTFDGRZ-IBGZPJMESA-N 2 2 308.429 3.900 20 0 DHADLP CC(C)n1cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883386417 1024419529 /nfs/dbraw/zinc/41/95/29/1024419529.db2.gz FVGWFPBHJMCSGJ-VQIMIIECSA-N 2 2 323.444 3.753 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883387360 1024420428 /nfs/dbraw/zinc/42/04/28/1024420428.db2.gz WXVDRZMCKGXDEA-OXQOHEQNSA-N 2 2 321.424 3.984 20 0 DHADLP Cc1cccnc1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000453304388 1024453350 /nfs/dbraw/zinc/45/33/50/1024453350.db2.gz GBFYYJBGTCBIDZ-NQIIRXRSSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cccnc1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000453304388 1024453353 /nfs/dbraw/zinc/45/33/53/1024453353.db2.gz GBFYYJBGTCBIDZ-NQIIRXRSSA-N 2 2 323.484 3.575 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453407491 1024504338 /nfs/dbraw/zinc/50/43/38/1024504338.db2.gz GIOPVXJJPZLKPQ-JKSUJKDBSA-N 2 2 313.445 3.728 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271542522 1024533936 /nfs/dbraw/zinc/53/39/36/1024533936.db2.gz LUJPBBMKMLAPSV-SFHVURJKSA-N 2 2 323.484 3.748 20 0 DHADLP C[C@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001170157376 1024537370 /nfs/dbraw/zinc/53/73/70/1024537370.db2.gz KNAMNUUVUNZKLH-MAUKXSAKSA-N 2 2 304.453 3.911 20 0 DHADLP C[C@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001170157376 1024537374 /nfs/dbraw/zinc/53/73/74/1024537374.db2.gz KNAMNUUVUNZKLH-MAUKXSAKSA-N 2 2 304.453 3.911 20 0 DHADLP CC(C)C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccs1 ZINC000925792294 1024556325 /nfs/dbraw/zinc/55/63/25/1024556325.db2.gz ATKSXYPDEFPGER-CVEARBPZSA-N 2 2 322.518 3.584 20 0 DHADLP Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532249086 1024584863 /nfs/dbraw/zinc/58/48/63/1024584863.db2.gz JIBRQKKWQWHFJF-OXJNMPFZSA-N 2 2 321.424 3.565 20 0 DHADLP CC[C@H](C[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000348262697 1024616894 /nfs/dbraw/zinc/61/68/94/1024616894.db2.gz JVCRFYLYUUFCKF-QGZVFWFLSA-N 2 2 318.505 3.659 20 0 DHADLP CC[C@@H](C[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000348262696 1024617486 /nfs/dbraw/zinc/61/74/86/1024617486.db2.gz JVCRFYLYUUFCKF-KRWDZBQOSA-N 2 2 318.505 3.659 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(Cl)c1Cl ZINC000349408815 1024714759 /nfs/dbraw/zinc/71/47/59/1024714759.db2.gz QDXHKPWVLHSPTF-UHFFFAOYSA-N 2 2 316.207 3.851 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(Cl)c1Cl ZINC000349408815 1024714772 /nfs/dbraw/zinc/71/47/72/1024714772.db2.gz QDXHKPWVLHSPTF-UHFFFAOYSA-N 2 2 316.207 3.851 20 0 DHADLP COc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000349416198 1024716926 /nfs/dbraw/zinc/71/69/26/1024716926.db2.gz KHJUDEFWRFQVEK-UHFFFAOYSA-N 2 2 313.445 3.584 20 0 DHADLP CC[C@@H](C)C[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000133624282 1024745328 /nfs/dbraw/zinc/74/53/28/1024745328.db2.gz BMYLDRFSDLKLGT-MRXNPFEDSA-N 2 2 303.494 3.923 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+]CC(C)(C)C)CCOCC1)c1ccccc1 ZINC000152383314 1024826342 /nfs/dbraw/zinc/82/63/42/1024826342.db2.gz UUBWBZDAJOGGJU-INIZCTEOSA-N 2 2 304.478 3.522 20 0 DHADLP CC1(Nc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)CC[NH2+]CC1 ZINC001168187431 1025023435 /nfs/dbraw/zinc/02/34/35/1025023435.db2.gz BCKWWRVYGJUYFA-UHFFFAOYSA-N 2 2 306.413 3.784 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)cc1 ZINC000793519860 1025071264 /nfs/dbraw/zinc/07/12/64/1025071264.db2.gz DKCUGIPKYBYSBK-LNKGRISISA-N 2 2 316.489 3.651 20 0 DHADLP CCC1([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC001170452022 1025319535 /nfs/dbraw/zinc/31/95/35/1025319535.db2.gz QUTJKLKRDHCPAY-IBGZPJMESA-N 2 2 316.489 3.590 20 0 DHADLP CCC1([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC001170452022 1025319545 /nfs/dbraw/zinc/31/95/45/1025319545.db2.gz QUTJKLKRDHCPAY-IBGZPJMESA-N 2 2 316.489 3.590 20 0 DHADLP Cc1nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c2c([nH+]1)CCCC2 ZINC001170453510 1025328376 /nfs/dbraw/zinc/32/83/76/1025328376.db2.gz LBCWPWHTJKPIFX-UHFFFAOYSA-N 2 2 316.493 3.727 20 0 DHADLP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354035479 1025330757 /nfs/dbraw/zinc/33/07/57/1025330757.db2.gz YLHVBZBTDKGZPZ-LJQANCHMSA-N 2 2 320.392 3.995 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cscc2C(F)(F)F)CC[N@@H+]1C ZINC000356128205 1025335753 /nfs/dbraw/zinc/33/57/53/1025335753.db2.gz YLBWDRTYHGNCPT-JQWIXIFHSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cscc2C(F)(F)F)CC[N@H+]1C ZINC000356128205 1025335762 /nfs/dbraw/zinc/33/57/62/1025335762.db2.gz YLBWDRTYHGNCPT-JQWIXIFHSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cscc2C(F)(F)F)CC[NH+]1C ZINC000356128205 1025335775 /nfs/dbraw/zinc/33/57/75/1025335775.db2.gz YLBWDRTYHGNCPT-JQWIXIFHSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cscc2C(F)(F)F)CC[NH+]1C ZINC000356128205 1025335786 /nfs/dbraw/zinc/33/57/86/1025335786.db2.gz YLBWDRTYHGNCPT-JQWIXIFHSA-N 2 2 306.397 3.681 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC001204089751 1033277980 /nfs/dbraw/zinc/27/79/80/1033277980.db2.gz IDPPHWPNEQZSKR-KRWDZBQOSA-N 2 2 319.408 3.592 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC001204089751 1033277992 /nfs/dbraw/zinc/27/79/92/1033277992.db2.gz IDPPHWPNEQZSKR-KRWDZBQOSA-N 2 2 319.408 3.592 20 0 DHADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000354306196 1025401013 /nfs/dbraw/zinc/40/10/13/1025401013.db2.gz VAVJEUPLPASRDQ-JFIYKMOQSA-N 2 2 310.526 3.680 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000885935913 1025412755 /nfs/dbraw/zinc/41/27/55/1025412755.db2.gz VUSSGZVKWXAILN-IRXDYDNUSA-N 2 2 319.493 3.769 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cnccc2C)c(C)c1 ZINC000354482131 1025442625 /nfs/dbraw/zinc/44/26/25/1025442625.db2.gz TUKHWZYXZSFZFH-FQEVSTJZSA-N 2 2 320.440 3.734 20 0 DHADLP COc1c(F)cccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001143533236 1025545204 /nfs/dbraw/zinc/54/52/04/1025545204.db2.gz UHBPRQPSYAHPND-KRWDZBQOSA-N 2 2 320.452 3.675 20 0 DHADLP COc1c(F)cccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001143533236 1025545214 /nfs/dbraw/zinc/54/52/14/1025545214.db2.gz UHBPRQPSYAHPND-KRWDZBQOSA-N 2 2 320.452 3.675 20 0 DHADLP c1cn(C[C@H]([NH2+]CCOC2CCCCC2)c2ccccc2)c[nH+]1 ZINC000886319609 1025592155 /nfs/dbraw/zinc/59/21/55/1025592155.db2.gz IWYXJOOOLZIAPU-IBGZPJMESA-N 2 2 313.445 3.563 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc2cccc(Cl)c2n1 ZINC001137228596 1025611011 /nfs/dbraw/zinc/61/10/11/1025611011.db2.gz QOPDWMSETYMXSW-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc2cccc(Cl)c2n1 ZINC001137228596 1025611019 /nfs/dbraw/zinc/61/10/19/1025611019.db2.gz QOPDWMSETYMXSW-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP Oc1cccc2sc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000893967295 1025630200 /nfs/dbraw/zinc/63/02/00/1025630200.db2.gz ZVNHQZKIRZDKGT-GFCCVEGCSA-N 2 2 313.426 3.710 20 0 DHADLP Oc1cccc2sc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000893967295 1025630210 /nfs/dbraw/zinc/63/02/10/1025630210.db2.gz ZVNHQZKIRZDKGT-GFCCVEGCSA-N 2 2 313.426 3.710 20 0 DHADLP CC(C)c1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000355211010 1025639542 /nfs/dbraw/zinc/63/95/42/1025639542.db2.gz TWKVRBOIYMIVLY-WMLDXEAASA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000355211010 1025639548 /nfs/dbraw/zinc/63/95/48/1025639548.db2.gz TWKVRBOIYMIVLY-WMLDXEAASA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000355211010 1025639553 /nfs/dbraw/zinc/63/95/53/1025639553.db2.gz TWKVRBOIYMIVLY-WMLDXEAASA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000355211010 1025639559 /nfs/dbraw/zinc/63/95/59/1025639559.db2.gz TWKVRBOIYMIVLY-WMLDXEAASA-N 2 2 319.518 3.715 20 0 DHADLP C[NH+]1CCC(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000894056727 1025676885 /nfs/dbraw/zinc/67/68/85/1025676885.db2.gz FRUMTDIMIGPXCW-UHFFFAOYSA-N 2 2 324.472 3.640 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000575305122 1025714729 /nfs/dbraw/zinc/71/47/29/1025714729.db2.gz XEDNNBRWYUTBCD-DNVCBOLYSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000575305122 1025714747 /nfs/dbraw/zinc/71/47/47/1025714747.db2.gz XEDNNBRWYUTBCD-DNVCBOLYSA-N 2 2 304.453 3.753 20 0 DHADLP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000886612131 1025738335 /nfs/dbraw/zinc/73/83/35/1025738335.db2.gz CTIJQUBPYKWALV-SJCJKPOMSA-N 2 2 324.403 3.555 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CC[N@@H+]1C ZINC000355657464 1025800488 /nfs/dbraw/zinc/80/04/88/1025800488.db2.gz ALAXDTXFSLBIHM-CABCVRRESA-N 2 2 300.402 3.644 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CC[N@H+]1C ZINC000355657464 1025800504 /nfs/dbraw/zinc/80/05/04/1025800504.db2.gz ALAXDTXFSLBIHM-CABCVRRESA-N 2 2 300.402 3.644 20 0 DHADLP CC[C@@H]1CC[C@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000806151631 1025811562 /nfs/dbraw/zinc/81/15/62/1025811562.db2.gz OHKWZQYOVQONMQ-DNVCBOLYSA-N 2 2 301.478 3.818 20 0 DHADLP CC[C@H]1CC[C@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000806151632 1025812360 /nfs/dbraw/zinc/81/23/60/1025812360.db2.gz OHKWZQYOVQONMQ-HNAYVOBHSA-N 2 2 301.478 3.818 20 0 DHADLP C[NH+](C)C1CCN(c2ccc([NH2+][C@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000806155397 1025815935 /nfs/dbraw/zinc/81/59/35/1025815935.db2.gz QKBUPPNEXWUUJG-UXHICEINSA-N 2 2 313.489 3.818 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC000151920235 1025918121 /nfs/dbraw/zinc/91/81/21/1025918121.db2.gz VWNIYIAYPKXICO-UHFFFAOYSA-N 2 2 312.404 3.560 20 0 DHADLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000140205456 1025922008 /nfs/dbraw/zinc/92/20/08/1025922008.db2.gz ALIDXVXDBHRUHU-HXUWFJFHSA-N 2 2 318.424 3.913 20 0 DHADLP Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000140205456 1025922022 /nfs/dbraw/zinc/92/20/22/1025922022.db2.gz ALIDXVXDBHRUHU-HXUWFJFHSA-N 2 2 318.424 3.913 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245547183 1026069147 /nfs/dbraw/zinc/06/91/47/1026069147.db2.gz MNMJLTCYMWCYFD-IIAWOOMASA-N 2 2 310.401 3.668 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245547183 1026069168 /nfs/dbraw/zinc/06/91/68/1026069168.db2.gz MNMJLTCYMWCYFD-IIAWOOMASA-N 2 2 310.401 3.668 20 0 DHADLP Fc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1C(F)F ZINC000894171797 1026313552 /nfs/dbraw/zinc/31/35/52/1026313552.db2.gz NSYMSMQZPNZGKU-UHFFFAOYSA-N 2 2 312.379 3.870 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nccc2ccccc21 ZINC000894199101 1026343007 /nfs/dbraw/zinc/34/30/07/1026343007.db2.gz GSSJDVKGDULZBL-SFHVURJKSA-N 2 2 308.429 3.636 20 0 DHADLP Cc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000052685344 1026376854 /nfs/dbraw/zinc/37/68/54/1026376854.db2.gz WNASUROYRGLCCH-UHFFFAOYSA-N 2 2 324.472 3.539 20 0 DHADLP CC(C)C(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000808733139 1026385576 /nfs/dbraw/zinc/38/55/76/1026385576.db2.gz XONGIUXFSNRDDY-PKOBYXMFSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)C(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000808733139 1026385588 /nfs/dbraw/zinc/38/55/88/1026385588.db2.gz XONGIUXFSNRDDY-PKOBYXMFSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)C(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000808733139 1026385602 /nfs/dbraw/zinc/38/56/02/1026385602.db2.gz XONGIUXFSNRDDY-PKOBYXMFSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)C(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000808733139 1026385615 /nfs/dbraw/zinc/38/56/15/1026385615.db2.gz XONGIUXFSNRDDY-PKOBYXMFSA-N 2 2 316.489 3.587 20 0 DHADLP Fc1cc(-c2ccco2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000280083433 1026585340 /nfs/dbraw/zinc/58/53/40/1026585340.db2.gz MZFFIYBQRMEYEX-IRXDYDNUSA-N 2 2 314.404 3.802 20 0 DHADLP Fc1cc(-c2ccco2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000280083433 1026585347 /nfs/dbraw/zinc/58/53/47/1026585347.db2.gz MZFFIYBQRMEYEX-IRXDYDNUSA-N 2 2 314.404 3.802 20 0 DHADLP Cc1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c(C)o1 ZINC000809767081 1026606513 /nfs/dbraw/zinc/60/65/13/1026606513.db2.gz XDMJSTKHHYQINO-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP Cc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c(C)o1 ZINC000809767081 1026606517 /nfs/dbraw/zinc/60/65/17/1026606517.db2.gz XDMJSTKHHYQINO-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP CSc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000810133873 1026684893 /nfs/dbraw/zinc/68/48/93/1026684893.db2.gz NHMWORQNFOQNOT-CYBMUJFWSA-N 2 2 309.504 3.871 20 0 DHADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420310678 1026800868 /nfs/dbraw/zinc/80/08/68/1026800868.db2.gz GMLALDYRQPHFPH-INIZCTEOSA-N 2 2 321.877 3.634 20 0 DHADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420310678 1026800877 /nfs/dbraw/zinc/80/08/77/1026800877.db2.gz GMLALDYRQPHFPH-INIZCTEOSA-N 2 2 321.877 3.634 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000237086469 1026803338 /nfs/dbraw/zinc/80/33/38/1026803338.db2.gz WXKPREOWDBRYPS-NSHDSACASA-N 2 2 306.759 3.543 20 0 DHADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000237086469 1026803348 /nfs/dbraw/zinc/80/33/48/1026803348.db2.gz WXKPREOWDBRYPS-NSHDSACASA-N 2 2 306.759 3.543 20 0 DHADLP CC(C)c1oc([C@@H]2CCC[N@@H+]2CCC[NH3+])nc1-c1ccccc1 ZINC000420316938 1026804337 /nfs/dbraw/zinc/80/43/37/1026804337.db2.gz MPCSAIWWQFNRRO-INIZCTEOSA-N 2 2 313.445 3.951 20 0 DHADLP CC(C)c1oc([C@@H]2CCC[N@H+]2CCC[NH3+])nc1-c1ccccc1 ZINC000420316938 1026804346 /nfs/dbraw/zinc/80/43/46/1026804346.db2.gz MPCSAIWWQFNRRO-INIZCTEOSA-N 2 2 313.445 3.951 20 0 DHADLP C[C@@H]1c2ccccc2C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420904200 1026874512 /nfs/dbraw/zinc/87/45/12/1026874512.db2.gz BWIWVIRXCJHUPF-QGZVFWFLSA-N 2 2 322.452 3.596 20 0 DHADLP C[C@@H]1c2ccccc2C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420904200 1026874518 /nfs/dbraw/zinc/87/45/18/1026874518.db2.gz BWIWVIRXCJHUPF-QGZVFWFLSA-N 2 2 322.452 3.596 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccncc2Cl)C1 ZINC000421835108 1027061995 /nfs/dbraw/zinc/06/19/95/1027061995.db2.gz MAYFIJPVEUXPDH-GJZGRUSLSA-N 2 2 309.885 3.754 20 0 DHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccncc2Cl)C1 ZINC000421835108 1027062004 /nfs/dbraw/zinc/06/20/04/1027062004.db2.gz MAYFIJPVEUXPDH-GJZGRUSLSA-N 2 2 309.885 3.754 20 0 DHADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@H](C)Cn3cc[nH+]c3)oc21 ZINC000271883898 1027170281 /nfs/dbraw/zinc/17/02/81/1027170281.db2.gz QDXBPXWLAYXTMQ-ZIAGYGMSSA-N 2 2 313.401 3.767 20 0 DHADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000422562024 1027283087 /nfs/dbraw/zinc/28/30/87/1027283087.db2.gz PAIOSMKERQSIDB-AGIUHOORSA-N 2 2 321.515 3.677 20 0 DHADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000422562024 1027283100 /nfs/dbraw/zinc/28/31/00/1027283100.db2.gz PAIOSMKERQSIDB-AGIUHOORSA-N 2 2 321.515 3.677 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cs2)o1 ZINC000422642351 1027294931 /nfs/dbraw/zinc/29/49/31/1027294931.db2.gz ZINHNGKPJSPXKN-SCRDCRAPSA-N 2 2 319.474 3.517 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cs2)o1 ZINC000422642351 1027294943 /nfs/dbraw/zinc/29/49/43/1027294943.db2.gz ZINHNGKPJSPXKN-SCRDCRAPSA-N 2 2 319.474 3.517 20 0 DHADLP COc1ccc(-c2csc(C[NH2+][C@H]3C[NH2+]CC[C@H]3C)c2)cc1 ZINC000422834043 1027336073 /nfs/dbraw/zinc/33/60/73/1027336073.db2.gz ZJLSRNCYYNYNOA-ACJLOTCBSA-N 2 2 316.470 3.511 20 0 DHADLP CC(C)CCOc1ccccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422934786 1027364140 /nfs/dbraw/zinc/36/41/40/1027364140.db2.gz JYPNQTHMZMHMPB-OAHLLOKOSA-N 2 2 313.445 3.770 20 0 DHADLP Cc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c2[nH+]ccn2c1 ZINC001170683306 1027365816 /nfs/dbraw/zinc/36/58/16/1027365816.db2.gz YMBROQRFCXBCLG-AWEZNQCLSA-N 2 2 317.396 3.515 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422941916 1027370212 /nfs/dbraw/zinc/37/02/12/1027370212.db2.gz VZMASIYOVINNPE-XJKCOSOUSA-N 2 2 315.486 3.910 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422948867 1027376577 /nfs/dbraw/zinc/37/65/77/1027376577.db2.gz RZYFPTMIQPKHLT-HLLBOEOZSA-N 2 2 320.477 3.665 20 0 DHADLP C[C@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423013221 1027391299 /nfs/dbraw/zinc/39/12/99/1027391299.db2.gz FLZDPKZRWYTEKE-KNXALSJPSA-N 2 2 312.379 3.887 20 0 DHADLP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000423079451 1027411449 /nfs/dbraw/zinc/41/14/49/1027411449.db2.gz ABYGFLWEWFQWJA-SQNIBIBYSA-N 2 2 316.832 3.762 20 0 DHADLP C[C@@H]([NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423100329 1027417224 /nfs/dbraw/zinc/41/72/24/1027417224.db2.gz GQOKNASULIPGTB-XWIAVFTESA-N 2 2 322.880 3.538 20 0 DHADLP COc1ccc([C@H]([NH2+]CCCC(C)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000423147768 1027432391 /nfs/dbraw/zinc/43/23/91/1027432391.db2.gz STTJTOUNGUVTDC-HOTGVXAUSA-N 2 2 312.404 3.513 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC3CCC3)CC2)cc1 ZINC000812837983 1027439637 /nfs/dbraw/zinc/43/96/37/1027439637.db2.gz KPVQQAZVAFQXAN-UHFFFAOYSA-N 2 2 301.478 3.501 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000295821882 1027446591 /nfs/dbraw/zinc/44/65/91/1027446591.db2.gz DIZMIENHEJDKMF-CVEARBPZSA-N 2 2 322.412 3.810 20 0 DHADLP Fc1ccc(/C=C/C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000575162826 1027458103 /nfs/dbraw/zinc/45/81/03/1027458103.db2.gz LQWVDVMZLAKXDV-BDUNBXCCSA-N 2 2 320.427 3.786 20 0 DHADLP Fc1ccc(/C=C/C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000575162826 1027458119 /nfs/dbraw/zinc/45/81/19/1027458119.db2.gz LQWVDVMZLAKXDV-BDUNBXCCSA-N 2 2 320.427 3.786 20 0 DHADLP Fc1ccc(/C=C/C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000575162828 1027458556 /nfs/dbraw/zinc/45/85/56/1027458556.db2.gz LQWVDVMZLAKXDV-LAQIPUCWSA-N 2 2 320.427 3.786 20 0 DHADLP Fc1ccc(/C=C/C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000575162828 1027458567 /nfs/dbraw/zinc/45/85/67/1027458567.db2.gz LQWVDVMZLAKXDV-LAQIPUCWSA-N 2 2 320.427 3.786 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)C2CCSCC2)cc1 ZINC000423238257 1027460198 /nfs/dbraw/zinc/46/01/98/1027460198.db2.gz IVTCHZFTVLXGSW-RDTXWAMCSA-N 2 2 306.519 3.931 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCCO2 ZINC000423233594 1027467621 /nfs/dbraw/zinc/46/76/21/1027467621.db2.gz DUPXJTGQLWLSDB-RBUKOAKNSA-N 2 2 310.441 3.807 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000295872354 1027470653 /nfs/dbraw/zinc/47/06/53/1027470653.db2.gz HESZEZASCDEXRH-OAHLLOKOSA-N 2 2 311.429 3.619 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932380626 1027471409 /nfs/dbraw/zinc/47/14/09/1027471409.db2.gz DAWXZXURPMEYER-HXUWFJFHSA-N 2 2 318.424 3.817 20 0 DHADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423246082 1027475879 /nfs/dbraw/zinc/47/58/79/1027475879.db2.gz JVMREDYFTGMUCP-ACJLOTCBSA-N 2 2 304.384 3.576 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)c2cccc(CO)c2)cc1 ZINC000423254025 1027478645 /nfs/dbraw/zinc/47/86/45/1027478645.db2.gz ZPDIVVYFCWDEBL-MGPUTAFESA-N 2 2 312.457 3.653 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc2cc(Br)ccc2o1 ZINC000423289724 1027482247 /nfs/dbraw/zinc/48/22/47/1027482247.db2.gz XWKXPPRPJUKHLD-VIFPVBQESA-N 2 2 311.223 3.583 20 0 DHADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000423269099 1027489724 /nfs/dbraw/zinc/48/97/24/1027489724.db2.gz GMXURNFZCZXDOU-KKSFZXQISA-N 2 2 319.452 3.769 20 0 DHADLP CSC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000423274835 1027492085 /nfs/dbraw/zinc/49/20/85/1027492085.db2.gz MPODSQXWYHDICI-ZIAGYGMSSA-N 2 2 320.424 3.682 20 0 DHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2cccs2)cc1 ZINC000423329370 1027510196 /nfs/dbraw/zinc/51/01/96/1027510196.db2.gz LKYGDTVQATZNRZ-RRQGHBQHSA-N 2 2 316.470 3.553 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423332040 1027510538 /nfs/dbraw/zinc/51/05/38/1027510538.db2.gz OTRGAEIOPUDWRW-KBXCAEBGSA-N 2 2 315.486 3.850 20 0 DHADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccs1 ZINC000423361449 1027520612 /nfs/dbraw/zinc/52/06/12/1027520612.db2.gz GUVVVECNEQQYDL-GHJWDPDVSA-N 2 2 322.424 3.823 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccs1 ZINC000423361450 1027520786 /nfs/dbraw/zinc/52/07/86/1027520786.db2.gz GUVVVECNEQQYDL-NORZTCDRSA-N 2 2 322.424 3.823 20 0 DHADLP FC(F)[C@H](CCc1ccccc1)[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423402218 1027537213 /nfs/dbraw/zinc/53/72/13/1027537213.db2.gz WPQQQYNGVGSSRS-SFHVURJKSA-N 2 2 316.395 3.646 20 0 DHADLP CCCC(O)(CCC)C[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000363161121 1027541756 /nfs/dbraw/zinc/54/17/56/1027541756.db2.gz PUPANQORTXDASL-UHFFFAOYSA-N 2 2 324.534 3.633 20 0 DHADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000423481519 1027563787 /nfs/dbraw/zinc/56/37/87/1027563787.db2.gz WTUQASNZPZSSME-SKDRFNHKSA-N 2 2 311.223 3.583 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423495661 1027574941 /nfs/dbraw/zinc/57/49/41/1027574941.db2.gz CIFCHKLTVHTQKA-UYAOXDASSA-N 2 2 309.457 3.785 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000423495826 1027575053 /nfs/dbraw/zinc/57/50/53/1027575053.db2.gz CTPGSNIAVTWDIX-WOJBJXKFSA-N 2 2 310.441 3.535 20 0 DHADLP CC[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CCOCC1 ZINC000576184249 1027576927 /nfs/dbraw/zinc/57/69/27/1027576927.db2.gz FBXYZQASPVXRPO-LJQANCHMSA-N 2 2 322.537 3.828 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnoc2C2CC2)C1 ZINC000363460223 1027642262 /nfs/dbraw/zinc/64/22/62/1027642262.db2.gz YOJLUQAFULWBJL-MRXNPFEDSA-N 2 2 314.433 3.709 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnoc2C2CC2)C1 ZINC000363460223 1027642273 /nfs/dbraw/zinc/64/22/73/1027642273.db2.gz YOJLUQAFULWBJL-MRXNPFEDSA-N 2 2 314.433 3.709 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCC[C@@H](c3ccccc3)CC1)C2 ZINC000527710909 1027856586 /nfs/dbraw/zinc/85/65/86/1027856586.db2.gz MGAVOQNMQYBRQQ-FGTMMUONSA-N 2 2 309.457 3.973 20 0 DHADLP c1cnc2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)cc2c1 ZINC000527750774 1027875588 /nfs/dbraw/zinc/87/55/88/1027875588.db2.gz FMZVEMVXKDPUPP-IBGZPJMESA-N 2 2 309.457 3.731 20 0 DHADLP c1cnc2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)cc2c1 ZINC000527750774 1027875604 /nfs/dbraw/zinc/87/56/04/1027875604.db2.gz FMZVEMVXKDPUPP-IBGZPJMESA-N 2 2 309.457 3.731 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527806865 1027895344 /nfs/dbraw/zinc/89/53/44/1027895344.db2.gz FXPNOXHJDLRLQL-UMVBOHGHSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527806865 1027895353 /nfs/dbraw/zinc/89/53/53/1027895353.db2.gz FXPNOXHJDLRLQL-UMVBOHGHSA-N 2 2 304.400 3.714 20 0 DHADLP CC(C)Oc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527810932 1027899593 /nfs/dbraw/zinc/89/95/93/1027899593.db2.gz WGFYYWUANUBGRD-GOSISDBHSA-N 2 2 302.462 3.580 20 0 DHADLP CC(C)Oc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810932 1027899614 /nfs/dbraw/zinc/89/96/14/1027899614.db2.gz WGFYYWUANUBGRD-GOSISDBHSA-N 2 2 302.462 3.580 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000527795338 1027902611 /nfs/dbraw/zinc/90/26/11/1027902611.db2.gz MAVNZDUGMIYBPJ-INIZCTEOSA-N 2 2 301.821 3.578 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C2)c1 ZINC000527806044 1027905737 /nfs/dbraw/zinc/90/57/37/1027905737.db2.gz COBFBIOYFQFGFS-IMFGXOCKSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C2)c1 ZINC000527806044 1027905750 /nfs/dbraw/zinc/90/57/50/1027905750.db2.gz COBFBIOYFQFGFS-IMFGXOCKSA-N 2 2 313.489 3.714 20 0 DHADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CC12CC2 ZINC000527899495 1027947783 /nfs/dbraw/zinc/94/77/83/1027947783.db2.gz DIBNYBRJKKVDRE-TZMCWYRMSA-N 2 2 301.821 3.804 20 0 DHADLP CCC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365511918 1027961303 /nfs/dbraw/zinc/96/13/03/1027961303.db2.gz VGIPZMUKEFPCQI-UHFFFAOYSA-N 2 2 304.482 3.609 20 0 DHADLP CCC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365511918 1027961320 /nfs/dbraw/zinc/96/13/20/1027961320.db2.gz VGIPZMUKEFPCQI-UHFFFAOYSA-N 2 2 304.482 3.609 20 0 DHADLP c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952534 1027987399 /nfs/dbraw/zinc/98/73/99/1027987399.db2.gz UGEYDMVSEQFPEG-YLJYHZDGSA-N 2 2 313.489 3.930 20 0 DHADLP c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527952534 1027987416 /nfs/dbraw/zinc/98/74/16/1027987416.db2.gz UGEYDMVSEQFPEG-YLJYHZDGSA-N 2 2 313.489 3.930 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(OC(F)F)c1 ZINC000528013370 1028043300 /nfs/dbraw/zinc/04/33/00/1028043300.db2.gz RNMGLJDBDKBTSP-BBRMVZONSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(OC(F)F)c1 ZINC000528013370 1028043320 /nfs/dbraw/zinc/04/33/20/1028043320.db2.gz RNMGLJDBDKBTSP-BBRMVZONSA-N 2 2 324.415 3.956 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000578099955 1028049252 /nfs/dbraw/zinc/04/92/52/1028049252.db2.gz QXLQYUOQBXLOFM-NQIIRXRSSA-N 2 2 324.468 3.980 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccco2)C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000578099955 1028049273 /nfs/dbraw/zinc/04/92/73/1028049273.db2.gz QXLQYUOQBXLOFM-NQIIRXRSSA-N 2 2 324.468 3.980 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCOc3ccccc31)CCC2 ZINC000366207922 1028061209 /nfs/dbraw/zinc/06/12/09/1028061209.db2.gz FQVUTKXJTAUECZ-NVXWUHKLSA-N 2 2 311.429 3.572 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(OC)cc1 ZINC000528015806 1028062966 /nfs/dbraw/zinc/06/29/66/1028062966.db2.gz YWNFTOBIXDHCNI-MJGOQNOKSA-N 2 2 302.462 3.753 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(OC)cc1 ZINC000528015806 1028062981 /nfs/dbraw/zinc/06/29/81/1028062981.db2.gz YWNFTOBIXDHCNI-MJGOQNOKSA-N 2 2 302.462 3.753 20 0 DHADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000366216721 1028064998 /nfs/dbraw/zinc/06/49/98/1028064998.db2.gz ARNJKXBRHRJOAN-WBVHZDCISA-N 2 2 313.445 3.646 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@@H](c3ccncc3)C3CC3)cc2)c[nH+]1 ZINC000934690887 1028076127 /nfs/dbraw/zinc/07/61/27/1028076127.db2.gz GFEAKNJRHZBDSQ-LJQANCHMSA-N 2 2 304.397 3.508 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000367063914 1028130957 /nfs/dbraw/zinc/13/09/57/1028130957.db2.gz APFQPSOMZRLKGQ-QGPMSJSTSA-N 2 2 324.896 3.736 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000367063914 1028130966 /nfs/dbraw/zinc/13/09/66/1028130966.db2.gz APFQPSOMZRLKGQ-QGPMSJSTSA-N 2 2 324.896 3.736 20 0 DHADLP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3cccs3)CC2)C[C@H](C)O1 ZINC000367185544 1028144380 /nfs/dbraw/zinc/14/43/80/1028144380.db2.gz JFASJUOLPQAWBS-MUJYYYPQSA-N 2 2 322.518 3.506 20 0 DHADLP CC(C)Oc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367605069 1028216168 /nfs/dbraw/zinc/21/61/68/1028216168.db2.gz VAKGEJTYISFUGJ-JWTNVVGKSA-N 2 2 302.462 3.531 20 0 DHADLP CC(C)Oc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367605069 1028216180 /nfs/dbraw/zinc/21/61/80/1028216180.db2.gz VAKGEJTYISFUGJ-JWTNVVGKSA-N 2 2 302.462 3.531 20 0 DHADLP CC(C)Oc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367605069 1028216195 /nfs/dbraw/zinc/21/61/95/1028216195.db2.gz VAKGEJTYISFUGJ-JWTNVVGKSA-N 2 2 302.462 3.531 20 0 DHADLP CC(C)Oc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367605069 1028216203 /nfs/dbraw/zinc/21/62/03/1028216203.db2.gz VAKGEJTYISFUGJ-JWTNVVGKSA-N 2 2 302.462 3.531 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC3(CCCC3)Oc3ccccc31)C2 ZINC000367999656 1028273292 /nfs/dbraw/zinc/27/32/92/1028273292.db2.gz XCDYYWXEUQPQNI-RDTXWAMCSA-N 2 2 323.440 3.693 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000578939956 1028279281 /nfs/dbraw/zinc/27/92/81/1028279281.db2.gz WJRWTBSBUKFUFE-ARJAWSKDSA-N 2 2 321.399 3.874 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCS2 ZINC000368099540 1028297149 /nfs/dbraw/zinc/29/71/49/1028297149.db2.gz FYFZLPZAPWLACC-DGCLKSJQSA-N 2 2 319.861 3.747 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1OC(F)F ZINC000368101929 1028297959 /nfs/dbraw/zinc/29/79/59/1028297959.db2.gz LSQSUPAMMKEFNH-YPMHNXCESA-N 2 2 321.371 3.609 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C2 ZINC000368105332 1028304820 /nfs/dbraw/zinc/30/48/20/1028304820.db2.gz QPMNKZKXTXCALI-KRWDZBQOSA-N 2 2 303.409 3.646 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)o1 ZINC000368105960 1028305018 /nfs/dbraw/zinc/30/50/18/1028305018.db2.gz YWWVDQRUZQSZCI-UKRRQHHQSA-N 2 2 307.397 3.878 20 0 DHADLP CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000368102907 1028305098 /nfs/dbraw/zinc/30/50/98/1028305098.db2.gz QQLSMIVDHJYSSY-OHTSDLOESA-N 2 2 309.457 3.757 20 0 DHADLP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000449104156 1028354974 /nfs/dbraw/zinc/35/49/74/1028354974.db2.gz DQRKDKDCIFGNRD-ZJRDLVKKSA-N 2 2 322.537 3.967 20 0 DHADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000449140702 1028396199 /nfs/dbraw/zinc/39/61/99/1028396199.db2.gz JWVVCVLAWGFLHZ-LZLYRXPVSA-N 2 2 303.494 3.706 20 0 DHADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000449140702 1028396218 /nfs/dbraw/zinc/39/62/18/1028396218.db2.gz JWVVCVLAWGFLHZ-LZLYRXPVSA-N 2 2 303.494 3.706 20 0 DHADLP Cc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1C ZINC000370409446 1028600186 /nfs/dbraw/zinc/60/01/86/1028600186.db2.gz FMENLNDLCGRAAS-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1C ZINC000370409446 1028600198 /nfs/dbraw/zinc/60/01/98/1028600198.db2.gz FMENLNDLCGRAAS-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1C ZINC000370409446 1028600204 /nfs/dbraw/zinc/60/02/04/1028600204.db2.gz FMENLNDLCGRAAS-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1C ZINC000370409446 1028600213 /nfs/dbraw/zinc/60/02/13/1028600213.db2.gz FMENLNDLCGRAAS-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cs1 ZINC000370910053 1028651096 /nfs/dbraw/zinc/65/10/96/1028651096.db2.gz YUFNIFHVLRUZAC-RBOXIYTFSA-N 2 2 321.515 3.857 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000370910053 1028651100 /nfs/dbraw/zinc/65/11/00/1028651100.db2.gz YUFNIFHVLRUZAC-RBOXIYTFSA-N 2 2 321.515 3.857 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000371206387 1028676157 /nfs/dbraw/zinc/67/61/57/1028676157.db2.gz YMUBLZKMPYMCOK-ZDUSSCGKSA-N 2 2 306.841 3.503 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000371206387 1028676163 /nfs/dbraw/zinc/67/61/63/1028676163.db2.gz YMUBLZKMPYMCOK-ZDUSSCGKSA-N 2 2 306.841 3.503 20 0 DHADLP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000371811761 1028760612 /nfs/dbraw/zinc/76/06/12/1028760612.db2.gz XJGZJICWKDJWBX-HZPDHXFCSA-N 2 2 322.518 3.507 20 0 DHADLP C[C@H]1Oc2c(cccc2F)[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000371978604 1028785494 /nfs/dbraw/zinc/78/54/94/1028785494.db2.gz ITQZURRMVSKXDQ-ACJLOTCBSA-N 2 2 323.371 3.623 20 0 DHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449556157 1028795160 /nfs/dbraw/zinc/79/51/60/1028795160.db2.gz LAMGYWBCMBKCSR-OLZOCXBDSA-N 2 2 302.384 3.566 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)c2nccn21 ZINC000449574260 1028817826 /nfs/dbraw/zinc/81/78/26/1028817826.db2.gz UFARZYQBCISITO-APWZRJJASA-N 2 2 324.472 3.665 20 0 DHADLP C[C@]1(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCS1 ZINC000628262789 1028975439 /nfs/dbraw/zinc/97/54/39/1028975439.db2.gz ZBENFJHJXZTIGP-CRAIPNDOSA-N 2 2 319.518 3.685 20 0 DHADLP C[C@]1(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCS1 ZINC000628262789 1028975451 /nfs/dbraw/zinc/97/54/51/1028975451.db2.gz ZBENFJHJXZTIGP-CRAIPNDOSA-N 2 2 319.518 3.685 20 0 DHADLP C[C@]1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCS1 ZINC000628279561 1028985741 /nfs/dbraw/zinc/98/57/41/1028985741.db2.gz PDONNPVSOYKBIS-QGZVFWFLSA-N 2 2 307.507 3.661 20 0 DHADLP c1coc([C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)c2ccccc2)c1 ZINC000373261439 1028992681 /nfs/dbraw/zinc/99/26/81/1028992681.db2.gz VKEIFADHGQUKQB-FUHWJXTLSA-N 2 2 307.397 3.733 20 0 DHADLP C[C@@H]1CCC[C@H]([NH+]2CCC(n3c[nH+]c4c3CCCC4)CC2)C1 ZINC000628371474 1029020105 /nfs/dbraw/zinc/02/01/05/1029020105.db2.gz IPZCSDUXUIWXMP-WBVHZDCISA-N 2 2 301.478 3.978 20 0 DHADLP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000568380482 1029057444 /nfs/dbraw/zinc/05/74/44/1029057444.db2.gz MKWQIADWPQNEAO-YJBOKZPZSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000568380482 1029057461 /nfs/dbraw/zinc/05/74/61/1029057461.db2.gz MKWQIADWPQNEAO-YJBOKZPZSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@@H]1CCCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373492473 1029063023 /nfs/dbraw/zinc/06/30/23/1029063023.db2.gz DRCCNNCFCWIUBI-KKOFPSKJSA-N 2 2 318.427 3.960 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1ccccc1OC(F)F ZINC000568568400 1029092088 /nfs/dbraw/zinc/09/20/88/1029092088.db2.gz AHLMINZRXCWXCT-WSYSLRRZSA-N 2 2 324.415 3.765 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1ccccc1OC(F)F ZINC000568568400 1029092105 /nfs/dbraw/zinc/09/21/05/1029092105.db2.gz AHLMINZRXCWXCT-WSYSLRRZSA-N 2 2 324.415 3.765 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000568793094 1029127052 /nfs/dbraw/zinc/12/70/52/1029127052.db2.gz XUHJGMWUSGTWRQ-CJNGLKHVSA-N 2 2 315.848 3.809 20 0 DHADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000568793094 1029127056 /nfs/dbraw/zinc/12/70/56/1029127056.db2.gz XUHJGMWUSGTWRQ-CJNGLKHVSA-N 2 2 315.848 3.809 20 0 DHADLP Fc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)cc1Cl ZINC000568949133 1029149740 /nfs/dbraw/zinc/14/97/40/1029149740.db2.gz MACQUCVGIBTFSO-UHFFFAOYSA-N 2 2 314.807 3.582 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(-c2ccncc2)cc1F)Cn1cc[nH+]c1 ZINC000120362383 1029194373 /nfs/dbraw/zinc/19/43/73/1029194373.db2.gz MNWNXJWNQJUFRF-OAHLLOKOSA-N 2 2 324.403 3.510 20 0 DHADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000374060429 1029197646 /nfs/dbraw/zinc/19/76/46/1029197646.db2.gz BGZHEFSAFWXLJY-JENIJYKNSA-N 2 2 303.494 3.564 20 0 DHADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000374060429 1029197652 /nfs/dbraw/zinc/19/76/52/1029197652.db2.gz BGZHEFSAFWXLJY-JENIJYKNSA-N 2 2 303.494 3.564 20 0 DHADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000629544875 1029365758 /nfs/dbraw/zinc/36/57/58/1029365758.db2.gz MTXGTQZWPIVNMR-NILFDRSVSA-N 2 2 300.368 3.743 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000629561206 1029370642 /nfs/dbraw/zinc/37/06/42/1029370642.db2.gz GTKAAZQDLQUPPF-STQMWFEESA-N 2 2 320.786 3.608 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000629561206 1029370658 /nfs/dbraw/zinc/37/06/58/1029370658.db2.gz GTKAAZQDLQUPPF-STQMWFEESA-N 2 2 320.786 3.608 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529550037 1029389629 /nfs/dbraw/zinc/38/96/29/1029389629.db2.gz PKCFZNSTSXBOLJ-PBHICJAKSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529550037 1029389641 /nfs/dbraw/zinc/38/96/41/1029389641.db2.gz PKCFZNSTSXBOLJ-PBHICJAKSA-N 2 2 308.416 3.674 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(F)ccc(F)c1Cl ZINC000529568060 1029427770 /nfs/dbraw/zinc/42/77/70/1029427770.db2.gz PXXWMIZFBFNVEV-UHFFFAOYSA-N 2 2 313.779 3.645 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(F)ccc(F)c1Cl ZINC000529568060 1029427778 /nfs/dbraw/zinc/42/77/78/1029427778.db2.gz PXXWMIZFBFNVEV-UHFFFAOYSA-N 2 2 313.779 3.645 20 0 DHADLP C[N@H+](CC1=CCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000450473346 1029497986 /nfs/dbraw/zinc/49/79/86/1029497986.db2.gz YMUOCLRKRUWEFW-UHFFFAOYSA-N 2 2 313.489 3.521 20 0 DHADLP C[N@@H+](CC1=CCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000450473346 1029497992 /nfs/dbraw/zinc/49/79/92/1029497992.db2.gz YMUOCLRKRUWEFW-UHFFFAOYSA-N 2 2 313.489 3.521 20 0 DHADLP CC[N@H+](CCC1CC[NH+]([C@H](C)c2csnn2)CC1)CC(C)C ZINC000450643596 1029586719 /nfs/dbraw/zinc/58/67/19/1029586719.db2.gz BLVGBIKJOGVUGY-OAHLLOKOSA-N 2 2 324.538 3.679 20 0 DHADLP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2csnn2)CC1)CC(C)C ZINC000450643596 1029586734 /nfs/dbraw/zinc/58/67/34/1029586734.db2.gz BLVGBIKJOGVUGY-OAHLLOKOSA-N 2 2 324.538 3.679 20 0 DHADLP Clc1ccccc1C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450783820 1029653086 /nfs/dbraw/zinc/65/30/86/1029653086.db2.gz FHAGPHJHVFQZJX-HNNXBMFYSA-N 2 2 315.848 3.862 20 0 DHADLP Clc1ccccc1C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450783820 1029653094 /nfs/dbraw/zinc/65/30/94/1029653094.db2.gz FHAGPHJHVFQZJX-HNNXBMFYSA-N 2 2 315.848 3.862 20 0 DHADLP CC[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(Cl)cc2Cl)CC[NH2+]1 ZINC001246077003 1029724239 /nfs/dbraw/zinc/72/42/39/1029724239.db2.gz QKFWCHIFDGWHFZ-QWRGUYRKSA-N 2 2 305.224 3.753 20 0 DHADLP c1ccc(COc2ccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)cc2)cc1 ZINC000530179656 1029774297 /nfs/dbraw/zinc/77/42/97/1029774297.db2.gz ZSFSRHBGBRBLIP-FQEVSTJZSA-N 2 2 322.452 3.640 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2ccccc2C1 ZINC000303632971 1029796419 /nfs/dbraw/zinc/79/64/19/1029796419.db2.gz YZLULADDCJQWOK-NRFANRHFSA-N 2 2 317.436 3.862 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2ccccc2C1 ZINC000303632971 1029796426 /nfs/dbraw/zinc/79/64/26/1029796426.db2.gz YZLULADDCJQWOK-NRFANRHFSA-N 2 2 317.436 3.862 20 0 DHADLP CC(C)[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000530471672 1029858580 /nfs/dbraw/zinc/85/85/80/1029858580.db2.gz ALDCANHPBGPCPN-UYSNPLJNSA-N 2 2 318.427 3.816 20 0 DHADLP CC(C)C[C@@H](C)C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000290191943 1029940631 /nfs/dbraw/zinc/94/06/31/1029940631.db2.gz CHCMWFNBKSQPTM-IAGOWNOFSA-N 2 2 303.494 3.879 20 0 DHADLP Clc1cccc(Cl)c1CSCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246175715 1029986517 /nfs/dbraw/zinc/98/65/17/1029986517.db2.gz APBHNBKHFKTTHB-LLVKDONJSA-N 2 2 319.301 3.568 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290496536 1030076167 /nfs/dbraw/zinc/07/61/67/1030076167.db2.gz YALUMIOZLUPHKE-TWOQFEAHSA-N 2 2 321.424 3.645 20 0 DHADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1SC(F)(F)F ZINC000924555212 1030121954 /nfs/dbraw/zinc/12/19/54/1030121954.db2.gz YWGQAKXSHIXFHD-NSHDSACASA-N 2 2 315.364 3.846 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000924696903 1030163692 /nfs/dbraw/zinc/16/36/92/1030163692.db2.gz QVGOLNCGKXHINU-HKBOAZHASA-N 2 2 321.468 3.696 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000924696903 1030163700 /nfs/dbraw/zinc/16/37/00/1030163700.db2.gz QVGOLNCGKXHINU-HKBOAZHASA-N 2 2 321.468 3.696 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)c2ccccn2)cc1 ZINC000924717421 1030171272 /nfs/dbraw/zinc/17/12/72/1030171272.db2.gz UQXBSWOVNFJTLG-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cnn(C2CCC2)c1 ZINC000924771468 1030185672 /nfs/dbraw/zinc/18/56/72/1030185672.db2.gz YIJMMKMYYWAHBV-HNNXBMFYSA-N 2 2 321.428 3.645 20 0 DHADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3cccc4cccc2c43)CCOCC1 ZINC000866266764 1030191099 /nfs/dbraw/zinc/19/10/99/1030191099.db2.gz QRNJTUAMYUIXRC-LJQANCHMSA-N 2 2 324.468 3.528 20 0 DHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000290829064 1030211743 /nfs/dbraw/zinc/21/17/43/1030211743.db2.gz HUIAYXYBYIIAKF-GFCCVEGCSA-N 2 2 316.276 3.598 20 0 DHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000290829064 1030211753 /nfs/dbraw/zinc/21/17/53/1030211753.db2.gz HUIAYXYBYIIAKF-GFCCVEGCSA-N 2 2 316.276 3.598 20 0 DHADLP c1ccc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CCC2)nc1 ZINC000924926031 1030228709 /nfs/dbraw/zinc/22/87/09/1030228709.db2.gz JDZABTVLCMFKIY-IBGZPJMESA-N 2 2 310.445 3.800 20 0 DHADLP C[N@@H+]1CCCC12CCN(c1cc[nH+]c3c(Cl)cccc13)CC2 ZINC000557646395 1030232088 /nfs/dbraw/zinc/23/20/88/1030232088.db2.gz GWNAUHVBYFPCSE-UHFFFAOYSA-N 2 2 315.848 3.953 20 0 DHADLP C[N@H+]1CCCC12CCN(c1cc[nH+]c3c(Cl)cccc13)CC2 ZINC000557646395 1030232103 /nfs/dbraw/zinc/23/21/03/1030232103.db2.gz GWNAUHVBYFPCSE-UHFFFAOYSA-N 2 2 315.848 3.953 20 0 DHADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000924948892 1030234011 /nfs/dbraw/zinc/23/40/11/1030234011.db2.gz FFZSIHHCKAUFML-KGLIPLIRSA-N 2 2 307.388 3.598 20 0 DHADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000925057329 1030261049 /nfs/dbraw/zinc/26/10/49/1030261049.db2.gz FXGCATIEZRSJQH-YTQUADARSA-N 2 2 318.505 3.767 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(-c2ccccc2)no1 ZINC000925217087 1030306998 /nfs/dbraw/zinc/30/69/98/1030306998.db2.gz LYGIFONMCMDQEB-UAGQMJEPSA-N 2 2 313.445 3.865 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(-c2ccccc2)no1 ZINC000925232574 1030313670 /nfs/dbraw/zinc/31/36/70/1030313670.db2.gz NSZZLWBZCQRGGK-HNNXBMFYSA-N 2 2 322.412 3.889 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)on1 ZINC000925519162 1030384060 /nfs/dbraw/zinc/38/40/60/1030384060.db2.gz SMSMVBRMSNCLCR-QZTJIDSGSA-N 2 2 319.493 3.836 20 0 DHADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](c2nccs2)c2ccccc2)C1 ZINC000925530347 1030386220 /nfs/dbraw/zinc/38/62/20/1030386220.db2.gz DRRXYVZBLNFKMK-BZUAXINKSA-N 2 2 315.486 3.728 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925593688 1030414131 /nfs/dbraw/zinc/41/41/31/1030414131.db2.gz NPQBZPGIHXGLDA-INIZCTEOSA-N 2 2 313.489 3.919 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000772876757 1030417941 /nfs/dbraw/zinc/41/79/41/1030417941.db2.gz FMOXEQAECLCMRZ-UHFFFAOYSA-N 2 2 313.489 3.644 20 0 DHADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccccc1 ZINC000925653204 1030441215 /nfs/dbraw/zinc/44/12/15/1030441215.db2.gz KHYXXEYJEIFNGX-BBTUJRGHSA-N 2 2 323.484 3.581 20 0 DHADLP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@@H](CC1CC1)c1ccccc1)C2 ZINC000925748188 1030477276 /nfs/dbraw/zinc/47/72/76/1030477276.db2.gz NSLBBVPAUBOYIS-INIZCTEOSA-N 2 2 313.470 3.501 20 0 DHADLP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@@H](CC1CC1)c1ccccc1)C2 ZINC000925748188 1030477282 /nfs/dbraw/zinc/47/72/82/1030477282.db2.gz NSLBBVPAUBOYIS-INIZCTEOSA-N 2 2 313.470 3.501 20 0 DHADLP Clc1cscc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925769486 1030487433 /nfs/dbraw/zinc/48/74/33/1030487433.db2.gz DVOHWZSNDJFDGU-ZBFHGGJFSA-N 2 2 306.862 3.984 20 0 DHADLP Cc1cc(C)c(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)c(C)[nH+]1 ZINC000455502158 1030496322 /nfs/dbraw/zinc/49/63/22/1030496322.db2.gz UUZGXNHQHLSOCH-UHFFFAOYSA-N 2 2 320.481 3.589 20 0 DHADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000925786955 1030498904 /nfs/dbraw/zinc/49/89/04/1030498904.db2.gz YDZUDDWMNUUGKJ-ZDUSSCGKSA-N 2 2 314.379 3.591 20 0 DHADLP c1ccc([C@@H]2C[C@@H]([NH2+][C@H](c3ccccn3)C3CC3)CC[NH2+]2)cc1 ZINC000925820470 1030509331 /nfs/dbraw/zinc/50/93/31/1030509331.db2.gz FSDUGLYHONNDDW-IHPCNDPISA-N 2 2 307.441 3.616 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666769697 1030549416 /nfs/dbraw/zinc/54/94/16/1030549416.db2.gz CFBONIQATFNIOM-SFHVURJKSA-N 2 2 310.441 3.594 20 0 DHADLP FC(F)C1CC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000824477068 1030561193 /nfs/dbraw/zinc/56/11/93/1030561193.db2.gz AVCSQIKONSGDKO-UHFFFAOYSA-N 2 2 311.763 3.659 20 0 DHADLP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000926109758 1030618538 /nfs/dbraw/zinc/61/85/38/1030618538.db2.gz LYRAWKIECAEKPJ-MKXGPGLRSA-N 2 2 308.510 3.577 20 0 DHADLP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000926109758 1030618544 /nfs/dbraw/zinc/61/85/44/1030618544.db2.gz LYRAWKIECAEKPJ-MKXGPGLRSA-N 2 2 308.510 3.577 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246568808 1030636674 /nfs/dbraw/zinc/63/66/74/1030636674.db2.gz BDPIIXOMTBPGKO-KGLIPLIRSA-N 2 2 319.399 3.714 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247211412 1030678850 /nfs/dbraw/zinc/67/88/50/1030678850.db2.gz XAAJEJAPLJCZNX-LFGUQSLTSA-N 2 2 315.505 3.850 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247211412 1030678862 /nfs/dbraw/zinc/67/88/62/1030678862.db2.gz XAAJEJAPLJCZNX-LFGUQSLTSA-N 2 2 315.505 3.850 20 0 DHADLP CC(C)(C)OC1CC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926287151 1030687618 /nfs/dbraw/zinc/68/76/18/1030687618.db2.gz SUYJPEJXWCCEDL-OPQOLIRYSA-N 2 2 308.510 3.577 20 0 DHADLP CC(C)(C)OC1CC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926287151 1030687624 /nfs/dbraw/zinc/68/76/24/1030687624.db2.gz SUYJPEJXWCCEDL-OPQOLIRYSA-N 2 2 308.510 3.577 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCCO2 ZINC000359054631 1030751288 /nfs/dbraw/zinc/75/12/88/1030751288.db2.gz LJJYMTIJEXXEFA-TVPLGVNVSA-N 2 2 314.473 3.815 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000359064874 1030758752 /nfs/dbraw/zinc/75/87/52/1030758752.db2.gz BYJLAOVWLKRXRX-WBVHZDCISA-N 2 2 315.505 3.564 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000359064874 1030758764 /nfs/dbraw/zinc/75/87/64/1030758764.db2.gz BYJLAOVWLKRXRX-WBVHZDCISA-N 2 2 315.505 3.564 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248839264 1030770247 /nfs/dbraw/zinc/77/02/47/1030770247.db2.gz FDLLAPNUTVWDRI-ZAWLATJESA-N 2 2 315.505 3.706 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248839264 1030770260 /nfs/dbraw/zinc/77/02/60/1030770260.db2.gz FDLLAPNUTVWDRI-ZAWLATJESA-N 2 2 315.505 3.706 20 0 DHADLP c1csc([C@H]2C[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CCO2)c1 ZINC000926565506 1030802759 /nfs/dbraw/zinc/80/27/59/1030802759.db2.gz SWVPGGDGWAVTQD-WCXIOVBPSA-N 2 2 320.502 3.575 20 0 DHADLP c1csc([C@H]2C[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CCO2)c1 ZINC000926565506 1030802774 /nfs/dbraw/zinc/80/27/74/1030802774.db2.gz SWVPGGDGWAVTQD-WCXIOVBPSA-N 2 2 320.502 3.575 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)oc21 ZINC000161817783 1030948407 /nfs/dbraw/zinc/94/84/07/1030948407.db2.gz KKPXYDIWXSXVSC-YCPHGPKFSA-N 2 2 316.445 3.965 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)oc21 ZINC000161817783 1030948416 /nfs/dbraw/zinc/94/84/16/1030948416.db2.gz KKPXYDIWXSXVSC-YCPHGPKFSA-N 2 2 316.445 3.965 20 0 DHADLP FC1(F)[C@@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)[C@@H]1c1ccccc1 ZINC000926977679 1031025953 /nfs/dbraw/zinc/02/59/53/1031025953.db2.gz PCMDJOHPJVOAEE-FJIDUMEYSA-N 2 2 320.427 3.642 20 0 DHADLP FC1(F)[C@@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)[C@@H]1c1ccccc1 ZINC000926977679 1031025964 /nfs/dbraw/zinc/02/59/64/1031025964.db2.gz PCMDJOHPJVOAEE-FJIDUMEYSA-N 2 2 320.427 3.642 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000359585823 1031046352 /nfs/dbraw/zinc/04/63/52/1031046352.db2.gz FZKJZLUKAFSKIR-FUHWJXTLSA-N 2 2 302.462 3.591 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000359585823 1031046366 /nfs/dbraw/zinc/04/63/66/1031046366.db2.gz FZKJZLUKAFSKIR-FUHWJXTLSA-N 2 2 302.462 3.591 20 0 DHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000261783997 1031065199 /nfs/dbraw/zinc/06/51/99/1031065199.db2.gz FRFBHTQUVAAMQS-KOLCDFICSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000261783997 1031065207 /nfs/dbraw/zinc/06/52/07/1031065207.db2.gz FRFBHTQUVAAMQS-KOLCDFICSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H](C[NH+]1CCC([NH2+]CC2CC2)CC1)c1cccc(Cl)c1 ZINC000261801987 1031068216 /nfs/dbraw/zinc/06/82/16/1031068216.db2.gz GZLXXECEDLVISD-CQSZACIVSA-N 2 2 306.881 3.908 20 0 DHADLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1C ZINC000927111434 1031095739 /nfs/dbraw/zinc/09/57/39/1031095739.db2.gz ZGWKLZGLKFAXCU-IEBWSBKVSA-N 2 2 316.489 3.516 20 0 DHADLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1C ZINC000927111434 1031095757 /nfs/dbraw/zinc/09/57/57/1031095757.db2.gz ZGWKLZGLKFAXCU-IEBWSBKVSA-N 2 2 316.489 3.516 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000648567320 1031121511 /nfs/dbraw/zinc/12/15/11/1031121511.db2.gz BXCVYPCFMGCMHL-ZWKOTPCHSA-N 2 2 308.510 3.580 20 0 DHADLP C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927160652 1031123575 /nfs/dbraw/zinc/12/35/75/1031123575.db2.gz DHJJLVXKOHSESD-QAPCUYQASA-N 2 2 311.429 3.625 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)CCC2 ZINC000359953366 1031216143 /nfs/dbraw/zinc/21/61/43/1031216143.db2.gz WFFHGCUCUXLQMS-JSGCOSHPSA-N 2 2 305.372 3.698 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000292897173 1031240239 /nfs/dbraw/zinc/24/02/39/1031240239.db2.gz VSVAOYVVYFNXRI-NVXWUHKLSA-N 2 2 303.494 3.682 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000292897173 1031240248 /nfs/dbraw/zinc/24/02/48/1031240248.db2.gz VSVAOYVVYFNXRI-NVXWUHKLSA-N 2 2 303.494 3.682 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000292897173 1031240263 /nfs/dbraw/zinc/24/02/63/1031240263.db2.gz VSVAOYVVYFNXRI-NVXWUHKLSA-N 2 2 303.494 3.682 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000292897173 1031240279 /nfs/dbraw/zinc/24/02/79/1031240279.db2.gz VSVAOYVVYFNXRI-NVXWUHKLSA-N 2 2 303.494 3.682 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139240 1031241009 /nfs/dbraw/zinc/24/10/09/1031241009.db2.gz KCONQPOVLIUVKE-KGLIPLIRSA-N 2 2 313.272 3.535 20 0 DHADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139240 1031241020 /nfs/dbraw/zinc/24/10/20/1031241020.db2.gz KCONQPOVLIUVKE-KGLIPLIRSA-N 2 2 313.272 3.535 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)Cn3cc[nH+]c3)c(C)c2c1 ZINC000360046182 1031252958 /nfs/dbraw/zinc/25/29/58/1031252958.db2.gz OVOJLBLZSRDSKX-JSGCOSHPSA-N 2 2 313.401 3.686 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000360041469 1031253558 /nfs/dbraw/zinc/25/35/58/1031253558.db2.gz XZSJOSXGLOYVPC-CVEARBPZSA-N 2 2 306.413 3.684 20 0 DHADLP CC[C@H](C[NH2+][C@H]1CCCOc2cc(C)ccc21)[NH+]1CCCC1 ZINC000360079910 1031266044 /nfs/dbraw/zinc/26/60/44/1031266044.db2.gz VAJDGEVCYXYWHU-AEFFLSMTSA-N 2 2 302.462 3.673 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000533784602 1031284247 /nfs/dbraw/zinc/28/42/47/1031284247.db2.gz NNMVTGLENDVHCT-YOEHRIQHSA-N 2 2 324.559 3.887 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000536660030 1031367300 /nfs/dbraw/zinc/36/73/00/1031367300.db2.gz UBFXRHCPMDWBTK-GUYCJALGSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000536660030 1031367310 /nfs/dbraw/zinc/36/73/10/1031367310.db2.gz UBFXRHCPMDWBTK-GUYCJALGSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000536660030 1031367319 /nfs/dbraw/zinc/36/73/19/1031367319.db2.gz UBFXRHCPMDWBTK-GUYCJALGSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000536660030 1031367326 /nfs/dbraw/zinc/36/73/26/1031367326.db2.gz UBFXRHCPMDWBTK-GUYCJALGSA-N 2 2 310.869 3.511 20 0 DHADLP CCc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000536673300 1031384136 /nfs/dbraw/zinc/38/41/36/1031384136.db2.gz MTFBCHQVFUHOGN-GOSISDBHSA-N 2 2 312.457 3.796 20 0 DHADLP CCc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000536673300 1031384151 /nfs/dbraw/zinc/38/41/51/1031384151.db2.gz MTFBCHQVFUHOGN-GOSISDBHSA-N 2 2 312.457 3.796 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000536673300 1031384169 /nfs/dbraw/zinc/38/41/69/1031384169.db2.gz MTFBCHQVFUHOGN-GOSISDBHSA-N 2 2 312.457 3.796 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000536673300 1031384182 /nfs/dbraw/zinc/38/41/82/1031384182.db2.gz MTFBCHQVFUHOGN-GOSISDBHSA-N 2 2 312.457 3.796 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cc(O)ccc1F ZINC000872061062 1031454346 /nfs/dbraw/zinc/45/43/46/1031454346.db2.gz VLKSHZWCNHDOCA-SOUVJXGZSA-N 2 2 320.452 3.835 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cc(O)ccc1F ZINC000872061062 1031454354 /nfs/dbraw/zinc/45/43/54/1031454354.db2.gz VLKSHZWCNHDOCA-SOUVJXGZSA-N 2 2 320.452 3.835 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(O)c1F ZINC000872061318 1031454649 /nfs/dbraw/zinc/45/46/49/1031454649.db2.gz XGPKYPZMPZIFLS-KKUMJFAQSA-N 2 2 320.452 3.835 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(O)c1F ZINC000872061318 1031454652 /nfs/dbraw/zinc/45/46/52/1031454652.db2.gz XGPKYPZMPZIFLS-KKUMJFAQSA-N 2 2 320.452 3.835 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000536883005 1031468554 /nfs/dbraw/zinc/46/85/54/1031468554.db2.gz QLCBCCQWHWDMFL-INIZCTEOSA-N 2 2 308.416 3.805 20 0 DHADLP COc1ccc(Cl)cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000035180226 1031478026 /nfs/dbraw/zinc/47/80/26/1031478026.db2.gz YLFMECIUGWAFGY-CQSZACIVSA-N 2 2 310.869 3.703 20 0 DHADLP COc1ccc(Cl)cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000035180226 1031478036 /nfs/dbraw/zinc/47/80/36/1031478036.db2.gz YLFMECIUGWAFGY-CQSZACIVSA-N 2 2 310.869 3.703 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000035275359 1031546610 /nfs/dbraw/zinc/54/66/10/1031546610.db2.gz GQQNQCQDIGFVCM-NSHDSACASA-N 2 2 315.364 3.673 20 0 DHADLP FC1(F)[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)[C@@H]1c1ccccc1 ZINC000929804713 1031614733 /nfs/dbraw/zinc/61/47/33/1031614733.db2.gz XSKOKVXZQSOYCD-HOTGVXAUSA-N 2 2 317.383 3.638 20 0 DHADLP FC1(F)[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)[C@@H]1c1ccccc1 ZINC000929803669 1031615463 /nfs/dbraw/zinc/61/54/63/1031615463.db2.gz MEWQNMLOKCZOCL-IRXDYDNUSA-N 2 2 317.383 3.569 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2ccccc2nc1Cl ZINC000124214824 1031648017 /nfs/dbraw/zinc/64/80/17/1031648017.db2.gz POSLDHNJDGZSSK-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2ccccc2nc1Cl ZINC000124214824 1031648028 /nfs/dbraw/zinc/64/80/28/1031648028.db2.gz POSLDHNJDGZSSK-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP COc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000361086001 1031719480 /nfs/dbraw/zinc/71/94/80/1031719480.db2.gz HDKACYOLYUTMMJ-UHFFFAOYSA-N 2 2 313.445 3.584 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cncs2)CC1 ZINC000361154014 1031759489 /nfs/dbraw/zinc/75/94/89/1031759489.db2.gz NJPCPXBMYHUPOS-QGZVFWFLSA-N 2 2 315.486 3.630 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cncs2)CC1 ZINC000361154014 1031759502 /nfs/dbraw/zinc/75/95/02/1031759502.db2.gz NJPCPXBMYHUPOS-QGZVFWFLSA-N 2 2 315.486 3.630 20 0 DHADLP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2cncs2)CC1 ZINC000361154014 1031759515 /nfs/dbraw/zinc/75/95/15/1031759515.db2.gz NJPCPXBMYHUPOS-QGZVFWFLSA-N 2 2 315.486 3.630 20 0 DHADLP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cncs2)CC1 ZINC000361154014 1031759526 /nfs/dbraw/zinc/75/95/26/1031759526.db2.gz NJPCPXBMYHUPOS-QGZVFWFLSA-N 2 2 315.486 3.630 20 0 DHADLP c1cc2[nH+]ccc(NCC[N@@H+]3CCc4ccccc4C3)c2s1 ZINC000361159724 1031761900 /nfs/dbraw/zinc/76/19/00/1031761900.db2.gz PBGZVTSPFYOFNM-UHFFFAOYSA-N 2 2 309.438 3.767 20 0 DHADLP c1cc2[nH+]ccc(NCC[N@H+]3CCc4ccccc4C3)c2s1 ZINC000361159724 1031761917 /nfs/dbraw/zinc/76/19/17/1031761917.db2.gz PBGZVTSPFYOFNM-UHFFFAOYSA-N 2 2 309.438 3.767 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(C)oc3ccccc31)CCC2 ZINC000361227948 1031800028 /nfs/dbraw/zinc/80/00/28/1031800028.db2.gz NECVLUWMQFCRMJ-HNNXBMFYSA-N 2 2 309.413 3.913 20 0 DHADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccc(F)cc1 ZINC000361231970 1031800071 /nfs/dbraw/zinc/80/00/71/1031800071.db2.gz WEZVQNRTUDVFIX-GOSISDBHSA-N 2 2 322.468 3.756 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001144744118 1031944975 /nfs/dbraw/zinc/94/49/75/1031944975.db2.gz KVZZVCRFPBPHIZ-UHFFFAOYSA-N 2 2 315.486 3.747 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000361483073 1031946424 /nfs/dbraw/zinc/94/64/24/1031946424.db2.gz BYYMEUPMLUHTQN-FQEVSTJZSA-N 2 2 319.408 3.658 20 0 DHADLP c1cn(-c2cccc(C[NH2+][C@H]3CCCOc4ccccc43)c2)c[nH+]1 ZINC000361496082 1031956174 /nfs/dbraw/zinc/95/61/74/1031956174.db2.gz IZKBVFRUNPSYEB-IBGZPJMESA-N 2 2 319.408 3.876 20 0 DHADLP CCCC[N@H+](Cc1ncc(C)o1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033893 1032015109 /nfs/dbraw/zinc/01/51/09/1032015109.db2.gz LYGZBNMZCXEWCF-UHFFFAOYSA-N 2 2 307.482 3.894 20 0 DHADLP CCCC[N@@H+](Cc1ncc(C)o1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033893 1032015116 /nfs/dbraw/zinc/01/51/16/1032015116.db2.gz LYGZBNMZCXEWCF-UHFFFAOYSA-N 2 2 307.482 3.894 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1Cl ZINC000044535427 1032056342 /nfs/dbraw/zinc/05/63/42/1032056342.db2.gz DQPBPMJBEDEFKJ-NWDGAFQWSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1Cl ZINC000044535427 1032056358 /nfs/dbraw/zinc/05/63/58/1032056358.db2.gz DQPBPMJBEDEFKJ-NWDGAFQWSA-N 2 2 301.261 3.986 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(F)ccc1F ZINC001168360368 1033371898 /nfs/dbraw/zinc/37/18/98/1033371898.db2.gz PLNYCKTVNBZONO-SFHVURJKSA-N 2 2 308.416 3.880 20 0 DHADLP c1ccc(CC2CCC([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC001172822012 1033383060 /nfs/dbraw/zinc/38/30/60/1033383060.db2.gz YNOCAHWIKBOZKG-MNLRITNHSA-N 2 2 312.501 3.862 20 0 DHADLP c1ccc(CC2CCC([NH2+][C@H]3CC[N@H+](CC4CC4)C3)CC2)cc1 ZINC001172822012 1033383064 /nfs/dbraw/zinc/38/30/64/1033383064.db2.gz YNOCAHWIKBOZKG-MNLRITNHSA-N 2 2 312.501 3.862 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001172824807 1033387095 /nfs/dbraw/zinc/38/70/95/1033387095.db2.gz AWGLVLYDSZLRSM-HXUWFJFHSA-N 2 2 317.436 3.828 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1)CC2 ZINC001172832137 1033395747 /nfs/dbraw/zinc/39/57/47/1033395747.db2.gz QVJFIQPSXOQNBZ-OALUTQOASA-N 2 2 300.490 3.562 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1)CC2 ZINC001172832137 1033395751 /nfs/dbraw/zinc/39/57/51/1033395751.db2.gz QVJFIQPSXOQNBZ-OALUTQOASA-N 2 2 300.490 3.562 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[NH+]1CCC(C)CC1 ZINC001172853786 1033423623 /nfs/dbraw/zinc/42/36/23/1033423623.db2.gz ATHYQMBOQZGCAQ-CQSZACIVSA-N 2 2 312.860 3.732 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172858299 1033430222 /nfs/dbraw/zinc/43/02/22/1033430222.db2.gz LLQNSLYQKLFUMP-GUYCJALGSA-N 2 2 324.871 3.874 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172858299 1033430223 /nfs/dbraw/zinc/43/02/23/1033430223.db2.gz LLQNSLYQKLFUMP-GUYCJALGSA-N 2 2 324.871 3.874 20 0 DHADLP C[N@@H+]1CCc2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2C1 ZINC001212699969 1033499711 /nfs/dbraw/zinc/49/97/11/1033499711.db2.gz MVWHWBBZAUMYHG-UHFFFAOYSA-N 2 2 318.424 3.663 20 0 DHADLP C[N@H+]1CCc2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2C1 ZINC001212699969 1033499718 /nfs/dbraw/zinc/49/97/18/1033499718.db2.gz MVWHWBBZAUMYHG-UHFFFAOYSA-N 2 2 318.424 3.663 20 0 DHADLP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCC2 ZINC000152255260 1033511655 /nfs/dbraw/zinc/51/16/55/1033511655.db2.gz DVADMEKACGNOOG-OAHLLOKOSA-N 2 2 324.453 3.804 20 0 DHADLP CCCOC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001173091407 1033522080 /nfs/dbraw/zinc/52/20/80/1033522080.db2.gz RMHVJJJZPFXPBD-UHFFFAOYSA-N 2 2 313.445 3.700 20 0 DHADLP CCCOC1CCC(n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001173096087 1033525795 /nfs/dbraw/zinc/52/57/95/1033525795.db2.gz JYUZRAPDGDDPAQ-UHFFFAOYSA-N 2 2 313.445 3.919 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1cccc(C(C)(C)C)c1 ZINC000552857408 1033529040 /nfs/dbraw/zinc/52/90/40/1033529040.db2.gz OSCOREINIZIGNU-UHFFFAOYSA-N 2 2 315.461 3.582 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1cccc(C(C)(C)C)c1 ZINC000552857408 1033529048 /nfs/dbraw/zinc/52/90/48/1033529048.db2.gz OSCOREINIZIGNU-UHFFFAOYSA-N 2 2 315.461 3.582 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000339023953 1033587863 /nfs/dbraw/zinc/58/78/63/1033587863.db2.gz VJNGXBIHLVXHKV-PXNSSMCTSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000339023953 1033587870 /nfs/dbraw/zinc/58/78/70/1033587870.db2.gz VJNGXBIHLVXHKV-PXNSSMCTSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000339023953 1033587877 /nfs/dbraw/zinc/58/78/77/1033587877.db2.gz VJNGXBIHLVXHKV-PXNSSMCTSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000339023953 1033587883 /nfs/dbraw/zinc/58/78/83/1033587883.db2.gz VJNGXBIHLVXHKV-PXNSSMCTSA-N 2 2 315.505 3.684 20 0 DHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235292 1033631985 /nfs/dbraw/zinc/63/19/85/1033631985.db2.gz NDNTTZQOCVSTIJ-XDNAFOTISA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235292 1033631988 /nfs/dbraw/zinc/63/19/88/1033631988.db2.gz NDNTTZQOCVSTIJ-XDNAFOTISA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235292 1033631996 /nfs/dbraw/zinc/63/19/96/1033631996.db2.gz NDNTTZQOCVSTIJ-XDNAFOTISA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235292 1033632004 /nfs/dbraw/zinc/63/20/04/1033632004.db2.gz NDNTTZQOCVSTIJ-XDNAFOTISA-N 2 2 322.537 3.917 20 0 DHADLP CC1(C)C[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C(C)(C)O1 ZINC000878320575 1033657776 /nfs/dbraw/zinc/65/77/76/1033657776.db2.gz HHFGBBPSYPOEGC-OAHLLOKOSA-N 2 2 317.477 3.552 20 0 DHADLP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001173276881 1033669712 /nfs/dbraw/zinc/66/97/12/1033669712.db2.gz WGLTTYQWUHYZKR-MAUKXSAKSA-N 2 2 302.462 3.525 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000173896586 1033889846 /nfs/dbraw/zinc/88/98/46/1033889846.db2.gz XRUYEXVETKZWJM-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000173896586 1033889857 /nfs/dbraw/zinc/88/98/57/1033889857.db2.gz XRUYEXVETKZWJM-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000173896586 1033889865 /nfs/dbraw/zinc/88/98/65/1033889865.db2.gz XRUYEXVETKZWJM-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000173896586 1033889873 /nfs/dbraw/zinc/88/98/73/1033889873.db2.gz XRUYEXVETKZWJM-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP Brc1ccc2c(Nc3cc[nH+]cc3)cc[nH+]c2c1 ZINC001173881432 1033966580 /nfs/dbraw/zinc/96/65/80/1033966580.db2.gz SHYLDVCATHOJKX-UHFFFAOYSA-N 2 2 300.159 3.558 20 0 DHADLP c1cn(Cc2ccc(Nc3cc[nH+]c4ccccc34)cc2)c[nH+]1 ZINC001174039175 1034095159 /nfs/dbraw/zinc/09/51/59/1034095159.db2.gz XUPQTEBDXJSJAX-UHFFFAOYSA-N 2 2 300.365 3.645 20 0 DHADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000863543176 1034124190 /nfs/dbraw/zinc/12/41/90/1034124190.db2.gz LNSQODOUSOVZEV-DDTOSNHZSA-N 2 2 300.418 3.792 20 0 DHADLP C[C@H]([NH2+]Cc1cn(C(F)F)c2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000863548299 1034126789 /nfs/dbraw/zinc/12/67/89/1034126789.db2.gz WWRRIIWBICEOTN-SWLSCSKDSA-N 2 2 307.388 3.657 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCCC2)c2ccccc12 ZINC000480329854 1034192580 /nfs/dbraw/zinc/19/25/80/1034192580.db2.gz QUVHYSHFRLEYBM-MRXNPFEDSA-N 2 2 312.457 3.985 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC[N@@H+]1C ZINC000480352939 1034208083 /nfs/dbraw/zinc/20/80/83/1034208083.db2.gz JVVDECDOCUOSBK-QWHCGFSZSA-N 2 2 320.383 3.797 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC[N@H+]1C ZINC000480352939 1034208097 /nfs/dbraw/zinc/20/80/97/1034208097.db2.gz JVVDECDOCUOSBK-QWHCGFSZSA-N 2 2 320.383 3.797 20 0 DHADLP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000179668362 1034323436 /nfs/dbraw/zinc/32/34/36/1034323436.db2.gz DIIXQKQLRICEOU-CQSZACIVSA-N 2 2 315.314 3.696 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000480607483 1034348650 /nfs/dbraw/zinc/34/86/50/1034348650.db2.gz GIBKJHWRMTUYMN-CWRNSKLLSA-N 2 2 324.415 3.874 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000480607483 1034348664 /nfs/dbraw/zinc/34/86/64/1034348664.db2.gz GIBKJHWRMTUYMN-CWRNSKLLSA-N 2 2 324.415 3.874 20 0 DHADLP C[C@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)[NH+]1CCC(C)CC1 ZINC000554856173 1034378238 /nfs/dbraw/zinc/37/82/38/1034378238.db2.gz KNUMYQDRKDDBMG-ICXUMSERSA-N 2 2 322.443 3.921 20 0 DHADLP C[NH+](C)CCCOc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1 ZINC001174410988 1034395657 /nfs/dbraw/zinc/39/56/57/1034395657.db2.gz CCKJTPIOHLUSKQ-UHFFFAOYSA-N 2 2 310.401 3.589 20 0 DHADLP CC(C)(C)Oc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000865425254 1034642007 /nfs/dbraw/zinc/64/20/07/1034642007.db2.gz IBULLDXRRYHOKV-UHFFFAOYSA-N 2 2 301.434 3.630 20 0 DHADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000187132264 1034692582 /nfs/dbraw/zinc/69/25/82/1034692582.db2.gz INNNZJOJXVAQFB-FXAWDEMLSA-N 2 2 313.489 3.628 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(Cl)nc1 ZINC001137168697 1034692860 /nfs/dbraw/zinc/69/28/60/1034692860.db2.gz NALYFRZFTQOFGV-JKSUJKDBSA-N 2 2 307.869 3.574 20 0 DHADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(Cl)nc1 ZINC001137168697 1034692871 /nfs/dbraw/zinc/69/28/71/1034692871.db2.gz NALYFRZFTQOFGV-JKSUJKDBSA-N 2 2 307.869 3.574 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137168697 1034692881 /nfs/dbraw/zinc/69/28/81/1034692881.db2.gz NALYFRZFTQOFGV-JKSUJKDBSA-N 2 2 307.869 3.574 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001137168697 1034692890 /nfs/dbraw/zinc/69/28/90/1034692890.db2.gz NALYFRZFTQOFGV-JKSUJKDBSA-N 2 2 307.869 3.574 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000481718075 1034951155 /nfs/dbraw/zinc/95/11/55/1034951155.db2.gz MAIDBGSZVUXDFB-APWZRJJASA-N 2 2 310.441 3.909 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000481718075 1034951165 /nfs/dbraw/zinc/95/11/65/1034951165.db2.gz MAIDBGSZVUXDFB-APWZRJJASA-N 2 2 310.441 3.909 20 0 DHADLP CCN(C)c1ccc(NC2=CC[N@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC001175506153 1035016669 /nfs/dbraw/zinc/01/66/69/1035016669.db2.gz WNPQSDCDKHRWDY-UHFFFAOYSA-N 2 2 322.456 3.739 20 0 DHADLP CCN(C)c1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC001175506153 1035016673 /nfs/dbraw/zinc/01/66/73/1035016673.db2.gz WNPQSDCDKHRWDY-UHFFFAOYSA-N 2 2 322.456 3.739 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000481928615 1035036881 /nfs/dbraw/zinc/03/68/81/1035036881.db2.gz AJZGARROUAOBGX-CYBMUJFWSA-N 2 2 302.384 3.568 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000481955569 1035038006 /nfs/dbraw/zinc/03/80/06/1035038006.db2.gz HHWLVKYHZUVXLU-GHMZBOCLSA-N 2 2 320.811 3.932 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000481991449 1035043041 /nfs/dbraw/zinc/04/30/41/1035043041.db2.gz HUOZPLOLKVLTKA-WWGRRREGSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000481991449 1035043046 /nfs/dbraw/zinc/04/30/46/1035043046.db2.gz HUOZPLOLKVLTKA-WWGRRREGSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000481991451 1035044323 /nfs/dbraw/zinc/04/43/23/1035044323.db2.gz HUOZPLOLKVLTKA-XJKCOSOUSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000481991451 1035044332 /nfs/dbraw/zinc/04/43/32/1035044332.db2.gz HUOZPLOLKVLTKA-XJKCOSOUSA-N 2 2 314.395 3.709 20 0 DHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000482133340 1035058358 /nfs/dbraw/zinc/05/83/58/1035058358.db2.gz JPWBCUMFACTPPP-HOTGVXAUSA-N 2 2 315.461 3.818 20 0 DHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000482241160 1035072103 /nfs/dbraw/zinc/07/21/03/1035072103.db2.gz HYVIYVKQZQQHHY-LPHOPBHVSA-N 2 2 304.478 3.571 20 0 DHADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000482241160 1035072110 /nfs/dbraw/zinc/07/21/10/1035072110.db2.gz HYVIYVKQZQQHHY-LPHOPBHVSA-N 2 2 304.478 3.571 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159318290 1035132078 /nfs/dbraw/zinc/13/20/78/1035132078.db2.gz RZDBIIXYOZEEPM-CQSZACIVSA-N 2 2 304.331 3.548 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159318290 1035132084 /nfs/dbraw/zinc/13/20/84/1035132084.db2.gz RZDBIIXYOZEEPM-CQSZACIVSA-N 2 2 304.331 3.548 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000482625057 1035149587 /nfs/dbraw/zinc/14/95/87/1035149587.db2.gz BQTDGDPRLMQWQO-BHIYHBOVSA-N 2 2 324.553 3.926 20 0 DHADLP CCc1cccc2cc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)oc21 ZINC000668168902 1035201514 /nfs/dbraw/zinc/20/15/14/1035201514.db2.gz CWAOXCKJHNRCDE-INIZCTEOSA-N 2 2 309.413 3.718 20 0 DHADLP CCc1cccc2cc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)oc21 ZINC000668168902 1035201519 /nfs/dbraw/zinc/20/15/19/1035201519.db2.gz CWAOXCKJHNRCDE-INIZCTEOSA-N 2 2 309.413 3.718 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001176242794 1035231751 /nfs/dbraw/zinc/23/17/51/1035231751.db2.gz GPKIEZPTXAKIPI-SFHVURJKSA-N 2 2 302.437 3.763 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cncs1 ZINC000163231617 1035300228 /nfs/dbraw/zinc/30/02/28/1035300228.db2.gz PUJPLCKJYDXMCR-YQQAZPJKSA-N 2 2 315.486 3.847 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cncs1 ZINC000163231617 1035300233 /nfs/dbraw/zinc/30/02/33/1035300233.db2.gz PUJPLCKJYDXMCR-YQQAZPJKSA-N 2 2 315.486 3.847 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2CCc3ccc(Cl)cc3[C@H](C)C2)n1C ZINC000668284602 1035308015 /nfs/dbraw/zinc/30/80/15/1035308015.db2.gz RDCZHGGIIWJMNQ-GFCCVEGCSA-N 2 2 303.837 3.544 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2CCc3ccc(Cl)cc3[C@H](C)C2)n1C ZINC000668284602 1035308017 /nfs/dbraw/zinc/30/80/17/1035308017.db2.gz RDCZHGGIIWJMNQ-GFCCVEGCSA-N 2 2 303.837 3.544 20 0 DHADLP CO[C@H](C)[C@@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000484139639 1035320720 /nfs/dbraw/zinc/32/07/20/1035320720.db2.gz UDGLHZWWQWIXJQ-BRWVUGGUSA-N 2 2 304.478 3.663 20 0 DHADLP Cc1cc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc(C)c1F ZINC000484275105 1035327225 /nfs/dbraw/zinc/32/72/25/1035327225.db2.gz KRKKESCTAHVSKH-HNNXBMFYSA-N 2 2 301.409 3.990 20 0 DHADLP CCc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001204178553 1035331408 /nfs/dbraw/zinc/33/14/08/1035331408.db2.gz WNUYPUIDGOLLHG-UHFFFAOYSA-N 2 2 304.453 3.647 20 0 DHADLP Clc1ccc(-c2cccc(C[NH2+]CCn3cc[nH+]c3)c2)cc1 ZINC001177086452 1035349347 /nfs/dbraw/zinc/34/93/47/1035349347.db2.gz FVQQIDRWMHIKLY-UHFFFAOYSA-N 2 2 311.816 3.993 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC001177425017 1035369879 /nfs/dbraw/zinc/36/98/79/1035369879.db2.gz MWGYYFJYQGCNOG-QGZVFWFLSA-N 2 2 324.428 3.743 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001177548483 1035380287 /nfs/dbraw/zinc/38/02/87/1035380287.db2.gz GLMGOGGOMQLQCY-ZWKOTPCHSA-N 2 2 318.505 3.726 20 0 DHADLP CCC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccn1 ZINC001177688461 1035388255 /nfs/dbraw/zinc/38/82/55/1035388255.db2.gz VZLKPPILLHBCIB-INIZCTEOSA-N 2 2 312.442 3.960 20 0 DHADLP Cc1csc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC001177919218 1035398903 /nfs/dbraw/zinc/39/89/03/1035398903.db2.gz KJQMLIBOEQBGCH-CZUORRHYSA-N 2 2 321.515 3.686 20 0 DHADLP Cc1csc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC001177919218 1035398905 /nfs/dbraw/zinc/39/89/05/1035398905.db2.gz KJQMLIBOEQBGCH-CZUORRHYSA-N 2 2 321.515 3.686 20 0 DHADLP CCOc1cccc(F)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001178249740 1035416435 /nfs/dbraw/zinc/41/64/35/1035416435.db2.gz SUCKUCFGQPNHHL-MRXNPFEDSA-N 2 2 322.468 3.682 20 0 DHADLP CCOc1cccc(F)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001178249740 1035416438 /nfs/dbraw/zinc/41/64/38/1035416438.db2.gz SUCKUCFGQPNHHL-MRXNPFEDSA-N 2 2 322.468 3.682 20 0 DHADLP Fc1ccccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203357343 1035443707 /nfs/dbraw/zinc/44/37/07/1035443707.db2.gz LQJYFSHDZRLHIW-AZUAARDMSA-N 2 2 324.443 3.780 20 0 DHADLP Fc1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203357343 1035443711 /nfs/dbraw/zinc/44/37/11/1035443711.db2.gz LQJYFSHDZRLHIW-AZUAARDMSA-N 2 2 324.443 3.780 20 0 DHADLP Fc1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203357343 1035443714 /nfs/dbraw/zinc/44/37/14/1035443714.db2.gz LQJYFSHDZRLHIW-AZUAARDMSA-N 2 2 324.443 3.780 20 0 DHADLP Fc1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203357343 1035443716 /nfs/dbraw/zinc/44/37/16/1035443716.db2.gz LQJYFSHDZRLHIW-AZUAARDMSA-N 2 2 324.443 3.780 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(F)c2ccccc12 ZINC001179142583 1035464553 /nfs/dbraw/zinc/46/45/53/1035464553.db2.gz JONWNRPHNWUCNR-HNNXBMFYSA-N 2 2 300.421 3.941 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(F)c2ccccc12 ZINC001179142583 1035464554 /nfs/dbraw/zinc/46/45/54/1035464554.db2.gz JONWNRPHNWUCNR-HNNXBMFYSA-N 2 2 300.421 3.941 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC001179365645 1035475575 /nfs/dbraw/zinc/47/55/75/1035475575.db2.gz LDHOHBHGBIECSC-ZWKOTPCHSA-N 2 2 318.530 3.772 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CC[C@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC001179365645 1035475578 /nfs/dbraw/zinc/47/55/78/1035475578.db2.gz LDHOHBHGBIECSC-ZWKOTPCHSA-N 2 2 318.530 3.772 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000485249268 1035505772 /nfs/dbraw/zinc/50/57/72/1035505772.db2.gz HWFCMGNCIXSXJH-INIZCTEOSA-N 2 2 317.864 3.571 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000485249268 1035505776 /nfs/dbraw/zinc/50/57/76/1035505776.db2.gz HWFCMGNCIXSXJH-INIZCTEOSA-N 2 2 317.864 3.571 20 0 DHADLP CCSCCC[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001181134901 1035849438 /nfs/dbraw/zinc/84/94/38/1035849438.db2.gz QMJIWEWEVAOBOB-FUHWJXTLSA-N 2 2 306.519 3.772 20 0 DHADLP CCSCCC[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001181134901 1035849451 /nfs/dbraw/zinc/84/94/51/1035849451.db2.gz QMJIWEWEVAOBOB-FUHWJXTLSA-N 2 2 306.519 3.772 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001181436281 1035925086 /nfs/dbraw/zinc/92/50/86/1035925086.db2.gz OLEQBHHLTXBZGB-MDZRGWNJSA-N 2 2 318.505 3.897 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001181436281 1035925092 /nfs/dbraw/zinc/92/50/92/1035925092.db2.gz OLEQBHHLTXBZGB-MDZRGWNJSA-N 2 2 318.505 3.897 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(OC2CC2)c1F ZINC001181514304 1035931778 /nfs/dbraw/zinc/93/17/78/1035931778.db2.gz DYRSXGPYWZWZAK-UHFFFAOYSA-N 2 2 308.441 3.531 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(OC2CC2)c1F ZINC001181514304 1035931786 /nfs/dbraw/zinc/93/17/86/1035931786.db2.gz DYRSXGPYWZWZAK-UHFFFAOYSA-N 2 2 308.441 3.531 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cnn(C2CCC2)c1 ZINC000924807317 1035989885 /nfs/dbraw/zinc/98/98/85/1035989885.db2.gz KCSRKGAZNFNQQZ-HNNXBMFYSA-N 2 2 321.428 3.645 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC001181818974 1036004049 /nfs/dbraw/zinc/00/40/49/1036004049.db2.gz RGMGGBAQHLLQLQ-RCBQFDQVSA-N 2 2 314.395 3.881 20 0 DHADLP Fc1cccc(CC[N@H+](CCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000540550220 1036099548 /nfs/dbraw/zinc/09/95/48/1036099548.db2.gz VUOKRAGDLIXERH-UHFFFAOYSA-N 2 2 315.436 3.900 20 0 DHADLP Fc1cccc(CC[N@@H+](CCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000540550220 1036099562 /nfs/dbraw/zinc/09/95/62/1036099562.db2.gz VUOKRAGDLIXERH-UHFFFAOYSA-N 2 2 315.436 3.900 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000494935573 1036137827 /nfs/dbraw/zinc/13/78/27/1036137827.db2.gz HSYHAVURSAJLTI-UKRRQHHQSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000494935573 1036137836 /nfs/dbraw/zinc/13/78/36/1036137836.db2.gz HSYHAVURSAJLTI-UKRRQHHQSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000494935573 1036137842 /nfs/dbraw/zinc/13/78/42/1036137842.db2.gz HSYHAVURSAJLTI-UKRRQHHQSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000494935573 1036137850 /nfs/dbraw/zinc/13/78/50/1036137850.db2.gz HSYHAVURSAJLTI-UKRRQHHQSA-N 2 2 310.869 3.653 20 0 DHADLP CC(C)CCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495061356 1036202178 /nfs/dbraw/zinc/20/21/78/1036202178.db2.gz CKYATWGQGDSYRN-ICSRJNTNSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495061356 1036202200 /nfs/dbraw/zinc/20/22/00/1036202200.db2.gz CKYATWGQGDSYRN-ICSRJNTNSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495061356 1036202215 /nfs/dbraw/zinc/20/22/15/1036202215.db2.gz CKYATWGQGDSYRN-ICSRJNTNSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000495061356 1036202236 /nfs/dbraw/zinc/20/22/36/1036202236.db2.gz CKYATWGQGDSYRN-ICSRJNTNSA-N 2 2 316.489 3.638 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000495092661 1036237579 /nfs/dbraw/zinc/23/75/79/1036237579.db2.gz MRGKMDIPNSVZBM-UHFFFAOYSA-N 2 2 310.869 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000495092661 1036237594 /nfs/dbraw/zinc/23/75/94/1036237594.db2.gz MRGKMDIPNSVZBM-UHFFFAOYSA-N 2 2 310.869 3.655 20 0 DHADLP CCc1cnc(C[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)s1 ZINC000541314025 1036291607 /nfs/dbraw/zinc/29/16/07/1036291607.db2.gz VPKJLCIMRJSYML-ZBFHGGJFSA-N 2 2 309.523 3.696 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001182919154 1036473777 /nfs/dbraw/zinc/47/37/77/1036473777.db2.gz VSQIMLZUWIJRPB-CRAIPNDOSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001182919154 1036473781 /nfs/dbraw/zinc/47/37/81/1036473781.db2.gz VSQIMLZUWIJRPB-CRAIPNDOSA-N 2 2 304.453 3.753 20 0 DHADLP C(=C/c1ccncc1)\C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000486969642 1036479964 /nfs/dbraw/zinc/47/99/64/1036479964.db2.gz PYJPJTUJXDBFSO-JLXBBBJOSA-N 2 2 321.468 3.739 20 0 DHADLP C(=C/c1ccncc1)\C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000486969642 1036479970 /nfs/dbraw/zinc/47/99/70/1036479970.db2.gz PYJPJTUJXDBFSO-JLXBBBJOSA-N 2 2 321.468 3.739 20 0 DHADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2c(F)cccc2C(F)(F)F)C1 ZINC001206547181 1036484646 /nfs/dbraw/zinc/48/46/46/1036484646.db2.gz CPINDNNMSCMCJA-OAHLLOKOSA-N 2 2 318.358 3.795 20 0 DHADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c(F)cccc2C(F)(F)F)C1 ZINC001206547181 1036484651 /nfs/dbraw/zinc/48/46/51/1036484651.db2.gz CPINDNNMSCMCJA-OAHLLOKOSA-N 2 2 318.358 3.795 20 0 DHADLP CC1CC[NH+]([C@@H](C[NH2+]C[C@@H]2CCSC2)c2ccccc2)CC1 ZINC000486961994 1036490178 /nfs/dbraw/zinc/49/01/78/1036490178.db2.gz XKJUZOVWTGUNFO-HKUYNNGSSA-N 2 2 318.530 3.802 20 0 DHADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001206550041 1036496089 /nfs/dbraw/zinc/49/60/89/1036496089.db2.gz UAZCCADPUZTVCH-HNNXBMFYSA-N 2 2 301.261 3.944 20 0 DHADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001206550041 1036496099 /nfs/dbraw/zinc/49/60/99/1036496099.db2.gz UAZCCADPUZTVCH-HNNXBMFYSA-N 2 2 301.261 3.944 20 0 DHADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001205266218 1036576844 /nfs/dbraw/zinc/57/68/44/1036576844.db2.gz SKVMDOUTHCERTC-CQSZACIVSA-N 2 2 304.331 3.548 20 0 DHADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001205266218 1036576848 /nfs/dbraw/zinc/57/68/48/1036576848.db2.gz SKVMDOUTHCERTC-CQSZACIVSA-N 2 2 304.331 3.548 20 0 DHADLP CC(C)[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001183525321 1036606052 /nfs/dbraw/zinc/60/60/52/1036606052.db2.gz FEFCDQFUMWFEDI-SLFFLAALSA-N 2 2 313.489 3.818 20 0 DHADLP CC(C)[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001183525321 1036606058 /nfs/dbraw/zinc/60/60/58/1036606058.db2.gz FEFCDQFUMWFEDI-SLFFLAALSA-N 2 2 313.489 3.818 20 0 DHADLP c1cn(C[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)c2ccccc2)c[nH+]1 ZINC001183499302 1036608196 /nfs/dbraw/zinc/60/81/96/1036608196.db2.gz LJEFSRMBLQRJRB-PZJWPPBQSA-N 2 2 317.436 3.944 20 0 DHADLP c1cc2cccc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)c2o1 ZINC001183863973 1036699403 /nfs/dbraw/zinc/69/94/03/1036699403.db2.gz HLVRPYRMBTVHQV-UHFFFAOYSA-N 2 2 307.397 3.904 20 0 DHADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[C@H]1C ZINC000487957103 1036794913 /nfs/dbraw/zinc/79/49/13/1036794913.db2.gz HMHXGZIUHJYVEC-APWZRJJASA-N 2 2 313.445 3.509 20 0 DHADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[C@H]1C ZINC000487957103 1036794930 /nfs/dbraw/zinc/79/49/30/1036794930.db2.gz HMHXGZIUHJYVEC-APWZRJJASA-N 2 2 313.445 3.509 20 0 DHADLP C[C@@H](c1ccccn1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197589306 1036812035 /nfs/dbraw/zinc/81/20/35/1036812035.db2.gz JYAAIEAXDNMKHP-DSKINZAPSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H](c1ccccn1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197589306 1036812059 /nfs/dbraw/zinc/81/20/59/1036812059.db2.gz JYAAIEAXDNMKHP-DSKINZAPSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H](c1ccccn1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197589306 1036812084 /nfs/dbraw/zinc/81/20/84/1036812084.db2.gz JYAAIEAXDNMKHP-DSKINZAPSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H](c1ccccn1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197589306 1036812106 /nfs/dbraw/zinc/81/21/06/1036812106.db2.gz JYAAIEAXDNMKHP-DSKINZAPSA-N 2 2 321.468 3.597 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC001184376011 1036826429 /nfs/dbraw/zinc/82/64/29/1036826429.db2.gz YUZPIFWYTCPEJZ-OAHLLOKOSA-N 2 2 316.424 3.552 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC001184376011 1036826451 /nfs/dbraw/zinc/82/64/51/1036826451.db2.gz YUZPIFWYTCPEJZ-OAHLLOKOSA-N 2 2 316.424 3.552 20 0 DHADLP Cc1nc(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c(C)c(C)[nH+]1 ZINC001184829868 1036959608 /nfs/dbraw/zinc/95/96/08/1036959608.db2.gz FSKNTGHINRVWOA-QGZVFWFLSA-N 2 2 304.482 3.570 20 0 DHADLP Cc1ccc(N(C)c2ccc(C[N@H+](C)[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001235341664 1037050723 /nfs/dbraw/zinc/05/07/23/1037050723.db2.gz CNWAVFLJVIXCSN-NRFANRHFSA-N 2 2 323.484 3.947 20 0 DHADLP Cc1ccc(N(C)c2ccc(C[N@@H+](C)[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001235341664 1037050748 /nfs/dbraw/zinc/05/07/48/1037050748.db2.gz CNWAVFLJVIXCSN-NRFANRHFSA-N 2 2 323.484 3.947 20 0 DHADLP CCOC1CC(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001198791248 1037127651 /nfs/dbraw/zinc/12/76/51/1037127651.db2.gz UDTRHMQWMKAKFL-AQFXKWCLSA-N 2 2 319.493 3.633 20 0 DHADLP CCOC1CC(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)C1 ZINC001198791248 1037127662 /nfs/dbraw/zinc/12/76/62/1037127662.db2.gz UDTRHMQWMKAKFL-AQFXKWCLSA-N 2 2 319.493 3.633 20 0 DHADLP CC[C@@H]1C[C@@H](C[NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC001198899517 1037151568 /nfs/dbraw/zinc/15/15/68/1037151568.db2.gz BLZMYSJHCVRHCM-SXLOBPIMSA-N 2 2 316.489 3.618 20 0 DHADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)oc21 ZINC000317086867 1037176396 /nfs/dbraw/zinc/17/63/96/1037176396.db2.gz ANQYOXZLKVLWRD-IPYPFGDCSA-N 2 2 302.418 3.575 20 0 DHADLP COc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)oc21 ZINC000317086867 1037176403 /nfs/dbraw/zinc/17/64/03/1037176403.db2.gz ANQYOXZLKVLWRD-IPYPFGDCSA-N 2 2 302.418 3.575 20 0 DHADLP CCc1cc(NC2CC[NH+](CC3CCCC3)CC2)nc(CC)[nH+]1 ZINC001185987867 1037274842 /nfs/dbraw/zinc/27/48/42/1037274842.db2.gz SCAQOUFAKPSAOV-UHFFFAOYSA-N 2 2 316.493 3.668 20 0 DHADLP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901539 1037439933 /nfs/dbraw/zinc/43/99/33/1037439933.db2.gz DDFPONSAHKZMMA-ZIAGYGMSSA-N 2 2 310.869 3.686 20 0 DHADLP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901539 1037439948 /nfs/dbraw/zinc/43/99/48/1037439948.db2.gz DDFPONSAHKZMMA-ZIAGYGMSSA-N 2 2 310.869 3.686 20 0 DHADLP C[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C(C)(C)C ZINC000670262990 1037457876 /nfs/dbraw/zinc/45/78/76/1037457876.db2.gz QSQXZFFYRYVVQG-KRWDZBQOSA-N 2 2 317.521 3.703 20 0 DHADLP C[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C(C)(C)C ZINC000670262990 1037457888 /nfs/dbraw/zinc/45/78/88/1037457888.db2.gz QSQXZFFYRYVVQG-KRWDZBQOSA-N 2 2 317.521 3.703 20 0 DHADLP C[NH+](C)Cc1cccc(Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001201396888 1037630659 /nfs/dbraw/zinc/63/06/59/1037630659.db2.gz GFVIWWXHVXAZJC-UHFFFAOYSA-N 2 2 306.413 3.737 20 0 DHADLP CCC1([NH+]2CCCCC2)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001187463220 1037637550 /nfs/dbraw/zinc/63/75/50/1037637550.db2.gz RSTQJFCDDKZTNY-UHFFFAOYSA-N 2 2 316.493 3.637 20 0 DHADLP CC[C@@H](C)C[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001201513694 1037733906 /nfs/dbraw/zinc/73/39/06/1037733906.db2.gz ASMVNVXIQNXLRJ-LLVKDONJSA-N 2 2 322.250 3.542 20 0 DHADLP CCCCC[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001201737395 1037867082 /nfs/dbraw/zinc/86/70/82/1037867082.db2.gz MHWOROGAUMPJMT-UHFFFAOYSA-N 2 2 322.250 3.686 20 0 DHADLP Cc1[nH+]ccn1CCCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000125417083 1037939006 /nfs/dbraw/zinc/93/90/06/1037939006.db2.gz GHMNDEPCMXJEOM-UHFFFAOYSA-N 2 2 313.401 3.860 20 0 DHADLP COCC[N@H+](CC[C@@H](C)CCC=C(C)C)C1CC[NH+](C)CC1 ZINC001201972808 1037957114 /nfs/dbraw/zinc/95/71/14/1037957114.db2.gz JHYLWTSROCKOEL-SFHVURJKSA-N 2 2 310.526 3.802 20 0 DHADLP COCC[N@@H+](CC[C@@H](C)CCC=C(C)C)C1CC[NH+](C)CC1 ZINC001201972808 1037957132 /nfs/dbraw/zinc/95/71/32/1037957132.db2.gz JHYLWTSROCKOEL-SFHVURJKSA-N 2 2 310.526 3.802 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1csc(-c2ccccc2)n1 ZINC000571177727 1038084998 /nfs/dbraw/zinc/08/49/98/1038084998.db2.gz OPCKPKXQRBVYLF-OCCSQVGLSA-N 2 2 324.453 3.741 20 0 DHADLP CC[C@H](C[NH2+][C@H]1CCCc2c(OC)cccc21)[NH+]1CCCC1 ZINC000571965452 1038284524 /nfs/dbraw/zinc/28/45/24/1038284524.db2.gz PXKRIPWFTWGCCT-QAPCUYQASA-N 2 2 302.462 3.537 20 0 DHADLP CC(C)(C)OCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694708 1039128659 /nfs/dbraw/zinc/12/86/59/1039128659.db2.gz DSIDCTXAPMOPSB-MRXNPFEDSA-N 2 2 319.493 3.604 20 0 DHADLP CC(C)(C)OCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694708 1039128666 /nfs/dbraw/zinc/12/86/66/1039128666.db2.gz DSIDCTXAPMOPSB-MRXNPFEDSA-N 2 2 319.493 3.604 20 0 DHADLP Cc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000604768759 1039544073 /nfs/dbraw/zinc/54/40/73/1039544073.db2.gz NSTFWKMQSMWTGS-UHFFFAOYSA-N 2 2 309.388 3.652 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000158075423 1039938764 /nfs/dbraw/zinc/93/87/64/1039938764.db2.gz VLGXQWVVKCKING-QGZVFWFLSA-N 2 2 313.489 3.667 20 0 DHADLP CCC(CC)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)SC ZINC000230708545 1039961083 /nfs/dbraw/zinc/96/10/83/1039961083.db2.gz ORXWKFIFTCHYAM-UHFFFAOYSA-N 2 2 303.475 3.884 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2CC[NH+](C)CC2)o1 ZINC000608053456 1040371508 /nfs/dbraw/zinc/37/15/08/1040371508.db2.gz NIKVLOPOGOUWML-UHFFFAOYSA-N 2 2 302.393 3.578 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(C(C)C)CC2)CC1 ZINC000608056511 1040374617 /nfs/dbraw/zinc/37/46/17/1040374617.db2.gz RSMDKVGIRCMKQB-UHFFFAOYSA-N 2 2 310.526 3.680 20 0 DHADLP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000608495449 1040527200 /nfs/dbraw/zinc/52/72/00/1040527200.db2.gz RWQZRYSOBAGMIE-KRWDZBQOSA-N 2 2 322.412 3.684 20 0 DHADLP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000608495449 1040527217 /nfs/dbraw/zinc/52/72/17/1040527217.db2.gz RWQZRYSOBAGMIE-KRWDZBQOSA-N 2 2 322.412 3.684 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2cccnc2)[NH+]2CCCC2)cc1 ZINC000092743132 185337821 /nfs/dbraw/zinc/33/78/21/185337821.db2.gz YQCBZSTUJJAQFO-YLJYHZDGSA-N 2 2 309.457 3.878 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644577 193280534 /nfs/dbraw/zinc/28/05/34/193280534.db2.gz RTDLZNJBDLLZJA-ABAIWWIYSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000093644577 193280535 /nfs/dbraw/zinc/28/05/35/193280535.db2.gz RTDLZNJBDLLZJA-ABAIWWIYSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000093644577 193280537 /nfs/dbraw/zinc/28/05/37/193280537.db2.gz RTDLZNJBDLLZJA-ABAIWWIYSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000093644577 193280539 /nfs/dbraw/zinc/28/05/39/193280539.db2.gz RTDLZNJBDLLZJA-ABAIWWIYSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1N(C)C ZINC000093944389 193331473 /nfs/dbraw/zinc/33/14/73/193331473.db2.gz IPHPWRJHIWZUGY-INIZCTEOSA-N 2 2 312.461 3.691 20 0 DHADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000020506204 182226085 /nfs/dbraw/zinc/22/60/85/182226085.db2.gz IIADPGJCURNLCM-OAHLLOKOSA-N 2 2 322.250 3.777 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000037249492 182876022 /nfs/dbraw/zinc/87/60/22/182876022.db2.gz LBDVKEYNCMYYPT-LBPRGKRZSA-N 2 2 306.479 3.686 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](C)COC)CC1 ZINC000563843033 335047384 /nfs/dbraw/zinc/04/73/84/335047384.db2.gz QZFAJSKVWXFNAV-HNNXBMFYSA-N 2 2 315.461 3.518 20 0 DHADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152216835 196789948 /nfs/dbraw/zinc/78/99/48/196789948.db2.gz HUJOCYOVVBBMAI-SFHVURJKSA-N 2 2 307.372 3.789 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151535629 196694339 /nfs/dbraw/zinc/69/43/39/196694339.db2.gz FAIRYAOYSUPFCD-KRWDZBQOSA-N 2 2 324.815 3.698 20 0 DHADLP C[C@H](Cc1cccs1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272582770 130044190 /nfs/dbraw/zinc/04/41/90/130044190.db2.gz QTNOFKKNJOQVLD-GFCCVEGCSA-N 2 2 320.424 3.686 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000272681432 130052423 /nfs/dbraw/zinc/05/24/23/130052423.db2.gz NQEJSPCYUFOLNK-UHFFFAOYSA-N 2 2 320.786 3.846 20 0 DHADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC000275125803 130293576 /nfs/dbraw/zinc/29/35/76/130293576.db2.gz KISLUUMOMJALCV-QGZVFWFLSA-N 2 2 324.403 3.543 20 0 DHADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cncc(F)c1 ZINC000275125803 130293577 /nfs/dbraw/zinc/29/35/77/130293577.db2.gz KISLUUMOMJALCV-QGZVFWFLSA-N 2 2 324.403 3.543 20 0 DHADLP Cc1ccc(NCc2cn3cc(C)ccc3[nH+]2)c(C[NH+](C)C)c1 ZINC000284012286 131041272 /nfs/dbraw/zinc/04/12/72/131041272.db2.gz PYSFUPIVIXZKMZ-UHFFFAOYSA-N 2 2 308.429 3.625 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000285197759 131146719 /nfs/dbraw/zinc/14/67/19/131146719.db2.gz WKWTVEBHYOMVJD-CRAIPNDOSA-N 2 2 313.445 3.504 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000285197759 131146721 /nfs/dbraw/zinc/14/67/21/131146721.db2.gz WKWTVEBHYOMVJD-CRAIPNDOSA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000285197759 131146722 /nfs/dbraw/zinc/14/67/22/131146722.db2.gz WKWTVEBHYOMVJD-CRAIPNDOSA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000285197759 131146724 /nfs/dbraw/zinc/14/67/24/131146724.db2.gz WKWTVEBHYOMVJD-CRAIPNDOSA-N 2 2 313.445 3.504 20 0 DHADLP FC(F)(F)c1cccc([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000285513670 131175501 /nfs/dbraw/zinc/17/55/01/131175501.db2.gz GECRJWNKJRQAMH-HNNXBMFYSA-N 2 2 323.362 3.782 20 0 DHADLP C[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC000287469750 131282714 /nfs/dbraw/zinc/28/27/14/131282714.db2.gz WHHVXMVXPPOTMK-JEYLPNPQSA-N 2 2 314.395 3.970 20 0 DHADLP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC000287469750 131282715 /nfs/dbraw/zinc/28/27/15/131282715.db2.gz WHHVXMVXPPOTMK-JEYLPNPQSA-N 2 2 314.395 3.970 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000289138237 131361774 /nfs/dbraw/zinc/36/17/74/131361774.db2.gz PEYUYZYRECDMNY-IBGZPJMESA-N 2 2 314.404 3.535 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000289138237 131361775 /nfs/dbraw/zinc/36/17/75/131361775.db2.gz PEYUYZYRECDMNY-IBGZPJMESA-N 2 2 314.404 3.535 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000289360903 131378083 /nfs/dbraw/zinc/37/80/83/131378083.db2.gz ZESMEADPOPOKBM-KBXCAEBGSA-N 2 2 308.429 3.729 20 0 DHADLP C[C@@H](C[NH2+]CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000289361345 131378539 /nfs/dbraw/zinc/37/85/39/131378539.db2.gz YUANADXCMJVVRT-ZDUSSCGKSA-N 2 2 311.351 3.685 20 0 DHADLP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000297753939 132032659 /nfs/dbraw/zinc/03/26/59/132032659.db2.gz OMIXFSACSXJGMD-GJZGRUSLSA-N 2 2 309.417 3.501 20 0 DHADLP Cc1cccc(C[N@H+](CCc2c[nH+]cn2C)Cc2ccco2)c1 ZINC000298472889 132064741 /nfs/dbraw/zinc/06/47/41/132064741.db2.gz OZBHCJYMTWHGTA-UHFFFAOYSA-N 2 2 309.413 3.566 20 0 DHADLP Cc1cccc(C[N@@H+](CCc2c[nH+]cn2C)Cc2ccco2)c1 ZINC000298472889 132064742 /nfs/dbraw/zinc/06/47/42/132064742.db2.gz OZBHCJYMTWHGTA-UHFFFAOYSA-N 2 2 309.413 3.566 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1OC(F)F ZINC000163815053 132124038 /nfs/dbraw/zinc/12/40/38/132124038.db2.gz KAWSJFDNZOEXCI-ZDUSSCGKSA-N 2 2 321.371 3.836 20 0 DHADLP c1cc2c(o1)CCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000121722078 132157871 /nfs/dbraw/zinc/15/78/71/132157871.db2.gz GJMPEZCULAODKK-HXUWFJFHSA-N 2 2 324.468 3.954 20 0 DHADLP c1cn(CCC[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)c[nH+]1 ZINC000343317452 335072361 /nfs/dbraw/zinc/07/23/61/335072361.db2.gz VLUYUDIHUQYBLX-HXUWFJFHSA-N 2 2 309.457 3.643 20 0 DHADLP c1cn(CCC[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)c[nH+]1 ZINC000343317452 335072362 /nfs/dbraw/zinc/07/23/62/335072362.db2.gz VLUYUDIHUQYBLX-HXUWFJFHSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@H](CC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)[NH+]1CCCCC1 ZINC000570651114 332793082 /nfs/dbraw/zinc/79/30/82/332793082.db2.gz YKKUPQUODOZVFM-SJLPKXTDSA-N 2 2 318.509 3.885 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000071008790 331665126 /nfs/dbraw/zinc/66/51/26/331665126.db2.gz JIKAZLGFWGUEEU-BBRMVZONSA-N 2 2 309.413 3.851 20 0 DHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000518278878 332005873 /nfs/dbraw/zinc/00/58/73/332005873.db2.gz KAOHXAYPYYXEKH-OAQYLSRUSA-N 2 2 324.468 3.554 20 0 DHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000518278878 332005874 /nfs/dbraw/zinc/00/58/74/332005874.db2.gz KAOHXAYPYYXEKH-OAQYLSRUSA-N 2 2 324.468 3.554 20 0 DHADLP C([C@@H]1CCC2(CCCCC2)O1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000409447908 332033073 /nfs/dbraw/zinc/03/30/73/332033073.db2.gz JQVIYIGKZJLXDJ-IBGZPJMESA-N 2 2 320.521 3.819 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3n2CC)CC1 ZINC000091266478 332102613 /nfs/dbraw/zinc/10/26/13/332102613.db2.gz UCPJHILTJYIOKK-OAHLLOKOSA-N 2 2 314.477 3.581 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427135808 332168483 /nfs/dbraw/zinc/16/84/83/332168483.db2.gz LBBODCZSBOOHBN-XLIONFOSSA-N 2 2 324.468 3.811 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427135808 332168485 /nfs/dbraw/zinc/16/84/85/332168485.db2.gz LBBODCZSBOOHBN-XLIONFOSSA-N 2 2 324.468 3.811 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427111769 332168788 /nfs/dbraw/zinc/16/87/88/332168788.db2.gz VKYCKQVZZDZDBO-ICSRJNTNSA-N 2 2 322.452 3.546 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427111769 332168789 /nfs/dbraw/zinc/16/87/89/332168789.db2.gz VKYCKQVZZDZDBO-ICSRJNTNSA-N 2 2 322.452 3.546 20 0 DHADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372299 332233710 /nfs/dbraw/zinc/23/37/10/332233710.db2.gz XBIYYRRVNIBGQN-AEFFLSMTSA-N 2 2 317.477 3.553 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(F)c1 ZINC000363760507 332242548 /nfs/dbraw/zinc/24/25/48/332242548.db2.gz ZBCHMGQLSPIAKV-ZIAGYGMSSA-N 2 2 317.408 3.567 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000123754786 332249719 /nfs/dbraw/zinc/24/97/19/332249719.db2.gz FTQBHIFFQQRXGZ-FZMZJTMJSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000123754786 332249720 /nfs/dbraw/zinc/24/97/20/332249720.db2.gz FTQBHIFFQQRXGZ-FZMZJTMJSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123754786 332249721 /nfs/dbraw/zinc/24/97/21/332249721.db2.gz FTQBHIFFQQRXGZ-FZMZJTMJSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123754786 332249722 /nfs/dbraw/zinc/24/97/22/332249722.db2.gz FTQBHIFFQQRXGZ-FZMZJTMJSA-N 2 2 301.261 3.908 20 0 DHADLP CC(C)Cc1ncc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)s1 ZINC000367418299 332266272 /nfs/dbraw/zinc/26/62/72/332266272.db2.gz HGCJOEKSRBUGJY-UHFFFAOYSA-N 2 2 321.534 3.838 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]CCCc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000559778345 332281048 /nfs/dbraw/zinc/28/10/48/332281048.db2.gz ZYIVQOBDNWNCBE-WOJBJXKFSA-N 2 2 312.432 3.793 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]CCCc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000559778345 332281050 /nfs/dbraw/zinc/28/10/50/332281050.db2.gz ZYIVQOBDNWNCBE-WOJBJXKFSA-N 2 2 312.432 3.793 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccsc2C(F)(F)F)CC[N@@H+]1C ZINC000529527901 335099914 /nfs/dbraw/zinc/09/99/14/335099914.db2.gz GNNYKIRBQHYRJF-ZYHUDNBSSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccsc2C(F)(F)F)CC[N@H+]1C ZINC000529527901 335099916 /nfs/dbraw/zinc/09/99/16/335099916.db2.gz GNNYKIRBQHYRJF-ZYHUDNBSSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccsc2C(F)(F)F)CC[NH+]1C ZINC000529527901 335099917 /nfs/dbraw/zinc/09/99/17/335099917.db2.gz GNNYKIRBQHYRJF-ZYHUDNBSSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)CC[NH+]1C ZINC000529527901 335099919 /nfs/dbraw/zinc/09/99/19/335099919.db2.gz GNNYKIRBQHYRJF-ZYHUDNBSSA-N 2 2 306.397 3.681 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000560126027 332312657 /nfs/dbraw/zinc/31/26/57/332312657.db2.gz CEPISOJQDVMIDJ-HNJRGHQBSA-N 2 2 316.489 3.678 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)C[N@@H+]1C1CC1 ZINC000560266901 332325283 /nfs/dbraw/zinc/32/52/83/332325283.db2.gz AZPRJWVWMWBCBX-BBRMVZONSA-N 2 2 304.865 3.934 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)C[N@H+]1C1CC1 ZINC000560266901 332325285 /nfs/dbraw/zinc/32/52/85/332325285.db2.gz AZPRJWVWMWBCBX-BBRMVZONSA-N 2 2 304.865 3.934 20 0 DHADLP Cc1ccc(C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C(C)C)cc1 ZINC000560270393 332325958 /nfs/dbraw/zinc/32/59/58/332325958.db2.gz NPDJGFIGPWDTAV-IBGZPJMESA-N 2 2 311.473 3.885 20 0 DHADLP CCc1ccc([C@H](C[NH2+]CC2=CCCOC2)[NH+](CC)CC)cc1 ZINC000560544837 332356457 /nfs/dbraw/zinc/35/64/57/332356457.db2.gz HZFVOQIWHLZJIL-FQEVSTJZSA-N 2 2 316.489 3.568 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)COc1ccc(F)cc1F ZINC000583408179 332391770 /nfs/dbraw/zinc/39/17/70/332391770.db2.gz KXFRXMBGNQQZEO-AWEZNQCLSA-N 2 2 320.383 3.658 20 0 DHADLP Clc1cccc2c(N3CC[C@H]([NH+]4CCCC4)C3)cc[nH+]c12 ZINC000561188766 332421118 /nfs/dbraw/zinc/42/11/18/332421118.db2.gz KOEMCTDGWNWILW-ZDUSSCGKSA-N 2 2 301.821 3.563 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCCC(F)(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000468555729 335110861 /nfs/dbraw/zinc/11/08/61/335110861.db2.gz RRPPIIJAAPZCNW-ZBFHGGJFSA-N 2 2 314.395 3.829 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCCC(F)(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000468555729 335110863 /nfs/dbraw/zinc/11/08/63/335110863.db2.gz RRPPIIJAAPZCNW-ZBFHGGJFSA-N 2 2 314.395 3.829 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccncc2)cc1 ZINC000427838563 332536057 /nfs/dbraw/zinc/53/60/57/332536057.db2.gz BSJANAVAAJYUEG-HNAYVOBHSA-N 2 2 318.424 3.611 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427843075 332536800 /nfs/dbraw/zinc/53/68/00/332536800.db2.gz LSCXBKOZVRLCRR-DGCLKSJQSA-N 2 2 318.490 3.611 20 0 DHADLP c1csc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCCC2)c1 ZINC000427877579 332553002 /nfs/dbraw/zinc/55/30/02/332553002.db2.gz PAOSAZHYYGWFOQ-PBHICJAKSA-N 2 2 301.459 3.781 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)n1C ZINC000570411774 332751967 /nfs/dbraw/zinc/75/19/67/332751967.db2.gz QPCRFGKSKWXZCB-INIZCTEOSA-N 2 2 307.388 3.884 20 0 DHADLP C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000188029150 333157071 /nfs/dbraw/zinc/15/70/71/333157071.db2.gz JEPICNGUGCTAEN-UONOGXRCSA-N 2 2 306.416 3.962 20 0 DHADLP COCc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000310259067 333230077 /nfs/dbraw/zinc/23/00/77/333230077.db2.gz YZQPQTCUVZEUPF-DYESRHJHSA-N 2 2 324.468 3.586 20 0 DHADLP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000310259067 333230078 /nfs/dbraw/zinc/23/00/78/333230078.db2.gz YZQPQTCUVZEUPF-DYESRHJHSA-N 2 2 324.468 3.586 20 0 DHADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc2cccnc21 ZINC000310322676 333236677 /nfs/dbraw/zinc/23/66/77/333236677.db2.gz XPADGCYQCPMWHL-QGZVFWFLSA-N 2 2 319.452 3.845 20 0 DHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc2cccnc21 ZINC000310322676 333236679 /nfs/dbraw/zinc/23/66/79/333236679.db2.gz XPADGCYQCPMWHL-QGZVFWFLSA-N 2 2 319.452 3.845 20 0 DHADLP CC(C)CC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390672766 333313014 /nfs/dbraw/zinc/31/30/14/333313014.db2.gz SMNSEBZCLVPDDA-ICSRJNTNSA-N 2 2 318.505 3.692 20 0 DHADLP CC(C)CC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390672766 333313015 /nfs/dbraw/zinc/31/30/15/333313015.db2.gz SMNSEBZCLVPDDA-ICSRJNTNSA-N 2 2 318.505 3.692 20 0 DHADLP Cc1ncccc1C[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184534798 333361782 /nfs/dbraw/zinc/36/17/82/333361782.db2.gz FQKITRHRKNTUJA-FQEVSTJZSA-N 2 2 311.473 3.636 20 0 DHADLP Cc1ncccc1C[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184534798 333361784 /nfs/dbraw/zinc/36/17/84/333361784.db2.gz FQKITRHRKNTUJA-FQEVSTJZSA-N 2 2 311.473 3.636 20 0 DHADLP C[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)c1cccc(Cl)c1 ZINC000188246658 333361940 /nfs/dbraw/zinc/36/19/40/333361940.db2.gz MFEACJSFBDCXMQ-AWEZNQCLSA-N 2 2 313.832 3.924 20 0 DHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCSCC1 ZINC000186573976 333375221 /nfs/dbraw/zinc/37/52/21/333375221.db2.gz XKUOYAQWQFEOMO-SFHVURJKSA-N 2 2 306.519 3.628 20 0 DHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCSCC1 ZINC000186573976 333375223 /nfs/dbraw/zinc/37/52/23/333375223.db2.gz XKUOYAQWQFEOMO-SFHVURJKSA-N 2 2 306.519 3.628 20 0 DHADLP CC[NH+](CC)CCC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680740 333431064 /nfs/dbraw/zinc/43/10/64/333431064.db2.gz QLEGGTLBXHVINF-UHFFFAOYSA-N 2 2 303.475 3.632 20 0 DHADLP CCCC[C@H](CC)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000152091269 333604934 /nfs/dbraw/zinc/60/49/34/333604934.db2.gz UWNFOTWQYNGKAJ-KRWDZBQOSA-N 2 2 303.494 3.852 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1csc(-c2ccccc2)n1 ZINC000414068142 333890794 /nfs/dbraw/zinc/89/07/94/333890794.db2.gz IKDGECYGAMSNGK-UONOGXRCSA-N 2 2 303.475 3.801 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)c1 ZINC000414130711 333899893 /nfs/dbraw/zinc/89/98/93/333899893.db2.gz XPUHLPTVONNNGX-QGZVFWFLSA-N 2 2 303.837 3.747 20 0 DHADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414121521 333906697 /nfs/dbraw/zinc/90/66/97/333906697.db2.gz HHJYVJBMGMQVBR-SFHVURJKSA-N 2 2 319.880 3.863 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000271368603 334021652 /nfs/dbraw/zinc/02/16/52/334021652.db2.gz GOHWCEGJILDBCY-RDJZCZTQSA-N 2 2 315.486 3.939 20 0 DHADLP COc1ccccc1-c1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000414661191 334060586 /nfs/dbraw/zinc/06/05/86/334060586.db2.gz OGEMKYJUJMRXOW-LJQANCHMSA-N 2 2 322.452 3.689 20 0 DHADLP COc1ccccc1-c1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000414661191 334060587 /nfs/dbraw/zinc/06/05/87/334060587.db2.gz OGEMKYJUJMRXOW-LJQANCHMSA-N 2 2 322.452 3.689 20 0 DHADLP CC(C)(C[NH2+][C@H](c1ccccc1)c1ccccn1)C[NH+]1CCCC1 ZINC000276600681 334083255 /nfs/dbraw/zinc/08/32/55/334083255.db2.gz BCOOLOQEOHWSPO-HXUWFJFHSA-N 2 2 323.484 3.883 20 0 DHADLP CCC([NH3+])(CC)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000414796652 334099891 /nfs/dbraw/zinc/09/98/91/334099891.db2.gz CDZAGRDQJIFPAR-UHFFFAOYSA-N 2 2 314.477 3.603 20 0 DHADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000414800770 334101728 /nfs/dbraw/zinc/10/17/28/334101728.db2.gz IQIDGWZYPANDLQ-UHFFFAOYSA-N 2 2 306.784 3.549 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)CCO1 ZINC000414821134 334108566 /nfs/dbraw/zinc/10/85/66/334108566.db2.gz BUQFFTHZPYRTMY-LZQZEXGQSA-N 2 2 304.478 3.605 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1Br ZINC000414832743 334110993 /nfs/dbraw/zinc/11/09/93/334110993.db2.gz ORGAPYYYSPUHPB-INIZCTEOSA-N 2 2 319.246 3.547 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414839393 334112276 /nfs/dbraw/zinc/11/22/76/334112276.db2.gz WGNYBSAXFYMONJ-RHSMWYFYSA-N 2 2 300.471 3.629 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)CC2CCOCC2)cc1 ZINC000414844526 334114017 /nfs/dbraw/zinc/11/40/17/334114017.db2.gz KUFAVHYGMCKEIX-HNAYVOBHSA-N 2 2 304.478 3.605 20 0 DHADLP Cc1ccc2ncc(C[NH2+]C[C@H]([NH3+])c3ccc(C(C)C)cc3)n2c1 ZINC000414845507 334115928 /nfs/dbraw/zinc/11/59/28/334115928.db2.gz MCZYHFRHCIXJBI-IBGZPJMESA-N 2 2 322.456 3.556 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC000343608391 335176911 /nfs/dbraw/zinc/17/69/11/335176911.db2.gz KZMXSJSRDYYJJC-KRWDZBQOSA-N 2 2 301.821 3.861 20 0 DHADLP CC1=CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CC1 ZINC000285334059 334147054 /nfs/dbraw/zinc/14/70/54/334147054.db2.gz UKOLFPKCXVOKMR-MRXNPFEDSA-N 2 2 314.477 3.523 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)c2ccccc21 ZINC000288541268 334161060 /nfs/dbraw/zinc/16/10/60/334161060.db2.gz AHWSFFJQGHWYAU-KSSFIOAISA-N 2 2 304.397 3.605 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000187752792 334271819 /nfs/dbraw/zinc/27/18/19/334271819.db2.gz FTYMIWKJMMLMFF-MRXNPFEDSA-N 2 2 323.415 3.791 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000414938399 334199896 /nfs/dbraw/zinc/19/98/96/334199896.db2.gz IQLSUUVQIOFDGR-CDHQVMDDSA-N 2 2 312.457 3.634 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000414951498 334207446 /nfs/dbraw/zinc/20/74/46/334207446.db2.gz JCCYDNWIROMCJV-DNVCBOLYSA-N 2 2 310.441 3.592 20 0 DHADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414980644 334225378 /nfs/dbraw/zinc/22/53/78/334225378.db2.gz PYSGLPQDLFWFHU-NSHDSACASA-N 2 2 314.273 3.551 20 0 DHADLP c1cn(-c2ccc(C[NH2+]Cc3cccc4c3CCCN4)cc2)c[nH+]1 ZINC000415032927 334260327 /nfs/dbraw/zinc/26/03/27/334260327.db2.gz JMDRCNHOEMGUSG-UHFFFAOYSA-N 2 2 318.424 3.520 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000415043139 334260909 /nfs/dbraw/zinc/26/09/09/334260909.db2.gz AGIKKGXHAOGBMN-OFQRWUPVSA-N 2 2 314.395 3.960 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000415044915 334261219 /nfs/dbraw/zinc/26/12/19/334261219.db2.gz CCYMIUZPGHEUNH-FQEVSTJZSA-N 2 2 319.452 3.895 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000415063212 334262468 /nfs/dbraw/zinc/26/24/68/334262468.db2.gz HEDBBUXGMOHARU-KRWDZBQOSA-N 2 2 320.383 3.640 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1nccs1 ZINC000415113779 334282364 /nfs/dbraw/zinc/28/23/64/334282364.db2.gz FNVMVOUHTDDYNE-PMPSAXMXSA-N 2 2 301.459 3.677 20 0 DHADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cccc(F)c1)[NH+](C)C ZINC000442995056 338441235 /nfs/dbraw/zinc/44/12/35/338441235.db2.gz SOOJUUQJRGBDEF-KXBFYZLASA-N 2 2 300.421 3.915 20 0 DHADLP COc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)ccc1SC ZINC000531957185 334313133 /nfs/dbraw/zinc/31/31/33/334313133.db2.gz BVAJWVUTVQHYTN-AWEZNQCLSA-N 2 2 319.474 3.745 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000531963057 334320851 /nfs/dbraw/zinc/32/08/51/334320851.db2.gz YPMWDPVAVPJUAS-MAZHCROVSA-N 2 2 314.395 3.942 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000531963057 334320852 /nfs/dbraw/zinc/32/08/52/334320852.db2.gz YPMWDPVAVPJUAS-MAZHCROVSA-N 2 2 314.395 3.942 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000534974442 334351188 /nfs/dbraw/zinc/35/11/88/334351188.db2.gz PBRBXMFCDAMFML-KRWDZBQOSA-N 2 2 303.837 3.984 20 0 DHADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000531989843 334365514 /nfs/dbraw/zinc/36/55/14/334365514.db2.gz JANGOYIVASDXTP-XOBRGWDASA-N 2 2 323.415 3.929 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000532015373 334374969 /nfs/dbraw/zinc/37/49/69/334374969.db2.gz BTZCMVXQFVHVPK-DJIMGWMZSA-N 2 2 308.416 3.989 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000532015373 334374971 /nfs/dbraw/zinc/37/49/71/334374971.db2.gz BTZCMVXQFVHVPK-DJIMGWMZSA-N 2 2 308.416 3.989 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000532015374 334374999 /nfs/dbraw/zinc/37/49/99/334374999.db2.gz BTZCMVXQFVHVPK-HYVNUMGLSA-N 2 2 308.416 3.989 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000532015374 334375001 /nfs/dbraw/zinc/37/50/01/334375001.db2.gz BTZCMVXQFVHVPK-HYVNUMGLSA-N 2 2 308.416 3.989 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C2CC(C(F)(F)F)C2)n1-c1ccccc1 ZINC000342292152 334525618 /nfs/dbraw/zinc/52/56/18/334525618.db2.gz FRPLMWWUPTZMGX-UHFFFAOYSA-N 2 2 309.335 3.611 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@H]1SC)c1cccc(OC)c1 ZINC000425333391 334802507 /nfs/dbraw/zinc/80/25/07/334802507.db2.gz BZSSHDDFADEHHQ-RCCFBDPRSA-N 2 2 322.518 3.562 20 0 DHADLP COc1cccc2c(NC3CC[NH+](CC4CC4)CC3)cc[nH+]c12 ZINC000189214960 334886503 /nfs/dbraw/zinc/88/65/03/334886503.db2.gz QMRTUJIYGKCQLK-UHFFFAOYSA-N 2 2 311.429 3.530 20 0 DHADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c[nH+]1 ZINC000343643252 335184258 /nfs/dbraw/zinc/18/42/58/335184258.db2.gz USUXNBKUEZMZIE-KCUHQSDYSA-N 2 2 316.489 3.584 20 0 DHADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c[nH+]1 ZINC000343643252 335184259 /nfs/dbraw/zinc/18/42/59/335184259.db2.gz USUXNBKUEZMZIE-KCUHQSDYSA-N 2 2 316.489 3.584 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343866017 335198767 /nfs/dbraw/zinc/19/87/67/335198767.db2.gz SHRKYYXGJPOUIJ-WDEREUQCSA-N 2 2 321.412 3.544 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343866017 335198768 /nfs/dbraw/zinc/19/87/68/335198768.db2.gz SHRKYYXGJPOUIJ-WDEREUQCSA-N 2 2 321.412 3.544 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000344035509 335211049 /nfs/dbraw/zinc/21/10/49/335211049.db2.gz RTKGLNNYJNSQEY-QZTJIDSGSA-N 2 2 315.461 3.528 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344176065 335227591 /nfs/dbraw/zinc/22/75/91/335227591.db2.gz YHARXLVWZYLHNV-ZDUSSCGKSA-N 2 2 301.415 3.638 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@H](c3cccnc3)C3CC3)c2)c[nH+]1 ZINC000344322487 335245318 /nfs/dbraw/zinc/24/53/18/335245318.db2.gz HDAFEZRCOHIPIZ-KRWDZBQOSA-N 2 2 310.426 3.570 20 0 DHADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]Cc1cc[nH]c1 ZINC000344474173 335251897 /nfs/dbraw/zinc/25/18/97/335251897.db2.gz YJTPQACLNYOZNT-IBGZPJMESA-N 2 2 311.473 3.577 20 0 DHADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]Cc1cc[nH]c1 ZINC000344474173 335251898 /nfs/dbraw/zinc/25/18/98/335251898.db2.gz YJTPQACLNYOZNT-IBGZPJMESA-N 2 2 311.473 3.577 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccccc2)C1 ZINC000344436155 335253836 /nfs/dbraw/zinc/25/38/36/335253836.db2.gz GDZXOBLDHMHHSG-QMMLZNLJSA-N 2 2 324.468 3.535 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccccc2)C1 ZINC000344436155 335253837 /nfs/dbraw/zinc/25/38/37/335253837.db2.gz GDZXOBLDHMHHSG-QMMLZNLJSA-N 2 2 324.468 3.535 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(Cl)o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000344529244 335255370 /nfs/dbraw/zinc/25/53/70/335255370.db2.gz BXCZFQUUDCTASW-LBPRGKRZSA-N 2 2 301.777 3.970 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000344510180 335257480 /nfs/dbraw/zinc/25/74/80/335257480.db2.gz CRGGXKQLAKVSSW-HOTGVXAUSA-N 2 2 310.526 3.680 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(C3CCC3)s1)CCC2 ZINC000344548513 335260832 /nfs/dbraw/zinc/26/08/32/335260832.db2.gz WJYOOXWQENVHEU-CQSZACIVSA-N 2 2 316.474 3.583 20 0 DHADLP COC1CCC(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000344607719 335263532 /nfs/dbraw/zinc/26/35/32/335263532.db2.gz XBQDZWDZEGTWHB-AILXTGBUSA-N 2 2 316.489 3.617 20 0 DHADLP COC1CCC(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000344607719 335263534 /nfs/dbraw/zinc/26/35/34/335263534.db2.gz XBQDZWDZEGTWHB-AILXTGBUSA-N 2 2 316.489 3.617 20 0 DHADLP CCc1nc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000344824484 335281168 /nfs/dbraw/zinc/28/11/68/335281168.db2.gz MCGBQIUBKWJDIY-UHFFFAOYSA-N 2 2 307.507 3.592 20 0 DHADLP Cc1c([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cnn1C(C)C ZINC000345312599 335316221 /nfs/dbraw/zinc/31/62/21/335316221.db2.gz MEVNOCIXLQHUBB-HNNXBMFYSA-N 2 2 323.444 3.809 20 0 DHADLP Cc1[nH+]ccn1CC[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000346086842 335373738 /nfs/dbraw/zinc/37/37/38/335373738.db2.gz UWCNRHGGVBTCEN-UHFFFAOYSA-N 2 2 317.383 3.649 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)c2)c[nH+]1 ZINC000346180538 335378293 /nfs/dbraw/zinc/37/82/93/335378293.db2.gz TZNXYEWLVAGVOD-HOTGVXAUSA-N 2 2 319.499 3.794 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CCS[C@H]4CCCC[C@@H]43)c2)c[nH+]1 ZINC000346180538 335378295 /nfs/dbraw/zinc/37/82/95/335378295.db2.gz TZNXYEWLVAGVOD-HOTGVXAUSA-N 2 2 319.499 3.794 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CCc4sccc4C3)c2)c[nH+]1 ZINC000346137054 335379777 /nfs/dbraw/zinc/37/97/77/335379777.db2.gz RFWDTRMCRDIMHI-UHFFFAOYSA-N 2 2 301.440 3.554 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CCc4sccc4C3)c2)c[nH+]1 ZINC000346137054 335379779 /nfs/dbraw/zinc/37/97/79/335379779.db2.gz RFWDTRMCRDIMHI-UHFFFAOYSA-N 2 2 301.440 3.554 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CC[C@@H]3Cc3ccccc3)c2)c[nH+]1 ZINC000346165654 335384294 /nfs/dbraw/zinc/38/42/94/335384294.db2.gz IIUVGPPUOLNRTF-MRXNPFEDSA-N 2 2 309.438 3.751 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CC[C@@H]3Cc3ccccc3)c2)c[nH+]1 ZINC000346165654 335384296 /nfs/dbraw/zinc/38/42/96/335384296.db2.gz IIUVGPPUOLNRTF-MRXNPFEDSA-N 2 2 309.438 3.751 20 0 DHADLP CC[C@]1(C)CC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346192133 335388594 /nfs/dbraw/zinc/38/85/94/335388594.db2.gz DCTBKPBZZVMUSM-QGZVFWFLSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@]1(C)CC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346192133 335388596 /nfs/dbraw/zinc/38/85/96/335388596.db2.gz DCTBKPBZZVMUSM-QGZVFWFLSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@]1(C)CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000346192133 335388597 /nfs/dbraw/zinc/38/85/97/335388597.db2.gz DCTBKPBZZVMUSM-QGZVFWFLSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@]1(C)CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000346192133 335388599 /nfs/dbraw/zinc/38/85/99/335388599.db2.gz DCTBKPBZZVMUSM-QGZVFWFLSA-N 2 2 307.507 3.532 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000346299518 335393604 /nfs/dbraw/zinc/39/36/04/335393604.db2.gz BKCKXSIIJICFFN-FQEVSTJZSA-N 2 2 311.473 3.926 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000346299518 335393606 /nfs/dbraw/zinc/39/36/06/335393606.db2.gz BKCKXSIIJICFFN-FQEVSTJZSA-N 2 2 311.473 3.926 20 0 DHADLP C[C@H](CCC1CC1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000346559213 335415677 /nfs/dbraw/zinc/41/56/77/335415677.db2.gz ZJXROPUWOMTYBW-OAHLLOKOSA-N 2 2 316.493 3.603 20 0 DHADLP [NH3+]C1CC[NH+](Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000346666622 335428029 /nfs/dbraw/zinc/42/80/29/335428029.db2.gz YRICYYDAZOPCDY-UHFFFAOYSA-N 2 2 308.853 3.585 20 0 DHADLP Cc1ccc(CCC2CC[NH+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000347733136 335520811 /nfs/dbraw/zinc/52/08/11/335520811.db2.gz OAOFWJUQNJKPFF-UHFFFAOYSA-N 2 2 311.473 3.616 20 0 DHADLP CC(C)CCn1cccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000347776267 335524197 /nfs/dbraw/zinc/52/41/97/335524197.db2.gz KLNLDSBUIVUFHW-UHFFFAOYSA-N 2 2 300.450 3.521 20 0 DHADLP CC(C)CCC1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347919339 335538727 /nfs/dbraw/zinc/53/87/27/335538727.db2.gz NFEFXKOXMLYAPG-UHFFFAOYSA-N 2 2 309.523 3.853 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000349202158 335641529 /nfs/dbraw/zinc/64/15/29/335641529.db2.gz NPOBGJSGKIZILE-HFTRVMKXSA-N 2 2 304.503 3.570 20 0 DHADLP CCc1ccc([C@@H](C[NH2+][C@@H](CC)C2CCOCC2)[NH+](C)C)cc1 ZINC000532188523 335912797 /nfs/dbraw/zinc/91/27/97/335912797.db2.gz NWQPBKLULGKPCO-VQTJNVASSA-N 2 2 318.505 3.647 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1 ZINC000530222984 335956848 /nfs/dbraw/zinc/95/68/48/335956848.db2.gz SKRYOPXSRKLERG-CABCVRRESA-N 2 2 323.278 3.774 20 0 DHADLP CC(C)CCn1cccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351568897 336045355 /nfs/dbraw/zinc/04/53/55/336045355.db2.gz PHLMTDSRILJKIW-UHFFFAOYSA-N 2 2 323.444 3.786 20 0 DHADLP Clc1cccc(Cl)c1[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000351983893 336185609 /nfs/dbraw/zinc/18/56/09/336185609.db2.gz VHJDBEHWVYGUNX-OAHLLOKOSA-N 2 2 310.228 3.931 20 0 DHADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000352240231 336205837 /nfs/dbraw/zinc/20/58/37/336205837.db2.gz FMFPKJYRBYALSW-WMZOPIPTSA-N 2 2 313.445 3.755 20 0 DHADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000352240231 336205838 /nfs/dbraw/zinc/20/58/38/336205838.db2.gz FMFPKJYRBYALSW-WMZOPIPTSA-N 2 2 313.445 3.755 20 0 DHADLP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(C)cc1 ZINC000352243085 336206055 /nfs/dbraw/zinc/20/60/55/336206055.db2.gz WULBPXFVVNEYJW-INIZCTEOSA-N 2 2 303.475 3.754 20 0 DHADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cc2ccccc2o1 ZINC000352250910 336206880 /nfs/dbraw/zinc/20/68/80/336206880.db2.gz MKKDXCWVVUEWAE-GFCCVEGCSA-N 2 2 315.442 3.802 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(-c2cccs2)n1 ZINC000352512343 336222396 /nfs/dbraw/zinc/22/23/96/336222396.db2.gz WUZRRTDAYITUSE-CYBMUJFWSA-N 2 2 307.488 3.575 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(-c2cccs2)n1 ZINC000352512343 336222397 /nfs/dbraw/zinc/22/23/97/336222397.db2.gz WUZRRTDAYITUSE-CYBMUJFWSA-N 2 2 307.488 3.575 20 0 DHADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC000352554581 336224289 /nfs/dbraw/zinc/22/42/89/336224289.db2.gz HCIOWNZPUWNTOD-SFHVURJKSA-N 2 2 324.403 3.706 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000352650762 336228695 /nfs/dbraw/zinc/22/86/95/336228695.db2.gz ZGPXHVOMDPJOQS-JKSUJKDBSA-N 2 2 321.424 3.860 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000324572932 336228905 /nfs/dbraw/zinc/22/89/05/336228905.db2.gz VNUFBVVZLLZKHX-DNVCBOLYSA-N 2 2 307.441 3.889 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)s1 ZINC000352726507 336232737 /nfs/dbraw/zinc/23/27/37/336232737.db2.gz UCQJJWYQJPPNBH-NSHDSACASA-N 2 2 309.504 3.734 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000352761444 336233451 /nfs/dbraw/zinc/23/34/51/336233451.db2.gz XOJFXSVHLIMZNG-OXQOHEQNSA-N 2 2 309.457 3.569 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000352761444 336233452 /nfs/dbraw/zinc/23/34/52/336233452.db2.gz XOJFXSVHLIMZNG-OXQOHEQNSA-N 2 2 309.457 3.569 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3cccc(Cl)c3)CC2)s1 ZINC000352765362 336233673 /nfs/dbraw/zinc/23/36/73/336233673.db2.gz JLQYCACJNSWLKJ-UHFFFAOYSA-N 2 2 321.877 3.637 20 0 DHADLP Cc1cccc(OCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000324638191 336237873 /nfs/dbraw/zinc/23/78/73/336237873.db2.gz WMSLQUHYMZHEND-KRWDZBQOSA-N 2 2 321.424 3.910 20 0 DHADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000532447785 336248020 /nfs/dbraw/zinc/24/80/20/336248020.db2.gz LSEFJQANCWDUGH-INIZCTEOSA-N 2 2 319.836 3.820 20 0 DHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccoc1)c1ccccc1 ZINC000532487760 336251778 /nfs/dbraw/zinc/25/17/78/336251778.db2.gz HZWNUFJDAPAFHR-LPHOPBHVSA-N 2 2 316.445 3.640 20 0 DHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccoc1)c1ccccc1 ZINC000532487760 336251779 /nfs/dbraw/zinc/25/17/79/336251779.db2.gz HZWNUFJDAPAFHR-LPHOPBHVSA-N 2 2 316.445 3.640 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CCOCC1 ZINC000532511399 336253054 /nfs/dbraw/zinc/25/30/54/336253054.db2.gz AADWVKNFQCHOSO-APWZRJJASA-N 2 2 318.505 3.911 20 0 DHADLP Fc1c(Cl)cccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000526964766 336276524 /nfs/dbraw/zinc/27/65/24/336276524.db2.gz OKZSOXBGROGDAC-UHFFFAOYSA-N 2 2 319.811 3.951 20 0 DHADLP c1csc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCCC2)c1 ZINC000301059568 336287818 /nfs/dbraw/zinc/28/78/18/336287818.db2.gz DBDNEQVWAJPXJZ-OAHLLOKOSA-N 2 2 312.442 3.873 20 0 DHADLP Cc1cc(NCCCc2[nH+]c3ccccc3n2C)nc(C(C)C)[nH+]1 ZINC000301595222 336317256 /nfs/dbraw/zinc/31/72/56/336317256.db2.gz VQPCLYBALPMQKG-UHFFFAOYSA-N 2 2 323.444 3.840 20 0 DHADLP Cc1cc[nH+]c(N2CCN(c3[nH+]c4ccccc4cc3C)CC2)c1 ZINC000301695797 336324022 /nfs/dbraw/zinc/32/40/22/336324022.db2.gz BBVYNABOQPJHIG-UHFFFAOYSA-N 2 2 318.424 3.573 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000301708438 336324781 /nfs/dbraw/zinc/32/47/81/336324781.db2.gz HAZDLWYAYVLASZ-MRXNPFEDSA-N 2 2 320.440 3.736 20 0 DHADLP C[C@@H]1C[N@@H+](CCCCNc2ccc3ccccc3[nH+]2)C[C@H](C)O1 ZINC000301735335 336326506 /nfs/dbraw/zinc/32/65/06/336326506.db2.gz UUXFVPGWTQHGBU-IYBDPMFKSA-N 2 2 313.445 3.536 20 0 DHADLP C[C@@H]1C[N@H+](CCCCNc2ccc3ccccc3[nH+]2)C[C@H](C)O1 ZINC000301735335 336326507 /nfs/dbraw/zinc/32/65/07/336326507.db2.gz UUXFVPGWTQHGBU-IYBDPMFKSA-N 2 2 313.445 3.536 20 0 DHADLP CC(C)c1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000301852301 336334208 /nfs/dbraw/zinc/33/42/08/336334208.db2.gz GJXDSZDHWSHVSC-ZIAGYGMSSA-N 2 2 302.466 3.761 20 0 DHADLP CC(C)c1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000301852301 336334209 /nfs/dbraw/zinc/33/42/09/336334209.db2.gz GJXDSZDHWSHVSC-ZIAGYGMSSA-N 2 2 302.466 3.761 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000301861984 336334861 /nfs/dbraw/zinc/33/48/61/336334861.db2.gz LEYFSNSVXYAVJM-CVEARBPZSA-N 2 2 316.493 3.786 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000301861984 336334862 /nfs/dbraw/zinc/33/48/62/336334862.db2.gz LEYFSNSVXYAVJM-CVEARBPZSA-N 2 2 316.493 3.786 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000302046751 336345314 /nfs/dbraw/zinc/34/53/14/336345314.db2.gz NJLCBEPFHRKTPT-JKSUJKDBSA-N 2 2 312.461 3.654 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000302046751 336345315 /nfs/dbraw/zinc/34/53/15/336345315.db2.gz NJLCBEPFHRKTPT-JKSUJKDBSA-N 2 2 312.461 3.654 20 0 DHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4cccc[nH+]4)[C@H]3C2)cc1 ZINC000302067695 336346675 /nfs/dbraw/zinc/34/66/75/336346675.db2.gz WTFFKXUBRXTMDM-GBESFXJTSA-N 2 2 307.441 3.794 20 0 DHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](Nc4cccc[nH+]4)[C@H]3C2)cc1 ZINC000302067695 336346676 /nfs/dbraw/zinc/34/66/76/336346676.db2.gz WTFFKXUBRXTMDM-GBESFXJTSA-N 2 2 307.441 3.794 20 0 DHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](Nc4cccc[nH+]4)[C@@H]3C2)cc1 ZINC000302067696 336346702 /nfs/dbraw/zinc/34/67/02/336346702.db2.gz WTFFKXUBRXTMDM-IPMKNSEASA-N 2 2 307.441 3.794 20 0 DHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](Nc4cccc[nH+]4)[C@@H]3C2)cc1 ZINC000302067696 336346703 /nfs/dbraw/zinc/34/67/03/336346703.db2.gz WTFFKXUBRXTMDM-IPMKNSEASA-N 2 2 307.441 3.794 20 0 DHADLP Cc1[nH+]c2ccccc2c(N[C@H]2CCN(c3cccc[nH+]3)C2)c1C ZINC000302185437 336353044 /nfs/dbraw/zinc/35/30/44/336353044.db2.gz UBGPZPOUKWJXAK-INIZCTEOSA-N 2 2 318.424 3.937 20 0 DHADLP Cc1ccc2[nH+]ccc(N[C@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000302234367 336355561 /nfs/dbraw/zinc/35/55/61/336355561.db2.gz UDZXKILZMFWBIG-HNNXBMFYSA-N 2 2 304.397 3.629 20 0 DHADLP COc1cccc2c(NC[C@H](c3ccco3)[NH+](C)C)cc[nH+]c12 ZINC000302467697 336359308 /nfs/dbraw/zinc/35/93/08/336359308.db2.gz SVSKXVNHWOOCDP-OAHLLOKOSA-N 2 2 311.385 3.551 20 0 DHADLP COc1cccc2c(NC[C@H]3CC[N@H+](CC(C)C)C3)cc[nH+]c12 ZINC000302494040 336359949 /nfs/dbraw/zinc/35/99/49/336359949.db2.gz ASFIOVOPBNODER-OAHLLOKOSA-N 2 2 313.445 3.633 20 0 DHADLP COc1cccc2c(NC[C@H]3CC[N@@H+](CC(C)C)C3)cc[nH+]c12 ZINC000302494040 336359950 /nfs/dbraw/zinc/35/99/50/336359950.db2.gz ASFIOVOPBNODER-OAHLLOKOSA-N 2 2 313.445 3.633 20 0 DHADLP CCC[N@@H+]1CC[C@@H](CNc2c(C)c[nH+]c3c(OC)cccc23)C1 ZINC000302592570 336362201 /nfs/dbraw/zinc/36/22/01/336362201.db2.gz AOEARCDXSMGHTP-HNNXBMFYSA-N 2 2 313.445 3.696 20 0 DHADLP CCC[N@H+]1CC[C@@H](CNc2c(C)c[nH+]c3c(OC)cccc23)C1 ZINC000302592570 336362202 /nfs/dbraw/zinc/36/22/02/336362202.db2.gz AOEARCDXSMGHTP-HNNXBMFYSA-N 2 2 313.445 3.696 20 0 DHADLP CC(C)c1nc(NC[C@H]2CCC[N@H+](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302898188 336373767 /nfs/dbraw/zinc/37/37/67/336373767.db2.gz PRHROLVABHEILL-CQSZACIVSA-N 2 2 304.482 3.651 20 0 DHADLP CC(C)c1nc(NC[C@H]2CCC[N@@H+](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302898188 336373768 /nfs/dbraw/zinc/37/37/68/336373768.db2.gz PRHROLVABHEILL-CQSZACIVSA-N 2 2 304.482 3.651 20 0 DHADLP Cc1ccccc1C[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353131796 336404013 /nfs/dbraw/zinc/40/40/13/336404013.db2.gz YYHGTEBMPXIOSG-MRXNPFEDSA-N 2 2 306.413 3.678 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)CCC2 ZINC000353341932 336412755 /nfs/dbraw/zinc/41/27/55/336412755.db2.gz VNWDHIQGBSYEFI-HIFRSBDPSA-N 2 2 311.420 3.873 20 0 DHADLP Cc1ccc(CCCN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c[nH+]1 ZINC000353446566 336418327 /nfs/dbraw/zinc/41/83/27/336418327.db2.gz FUDVCJRPMXKBJO-BJLQDIEVSA-N 2 2 315.505 3.660 20 0 DHADLP Cc1cc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc2[nH]1 ZINC000353821413 336442456 /nfs/dbraw/zinc/44/24/56/336442456.db2.gz RVUXSEHKLTUZIB-UHFFFAOYSA-N 2 2 320.440 3.630 20 0 DHADLP Cc1ccc(CCC[NH2+]CCc2cccc3cccnc32)c[nH+]1 ZINC000353918431 336448174 /nfs/dbraw/zinc/44/81/74/336448174.db2.gz TYEMSKQDSGNNOF-UHFFFAOYSA-N 2 2 305.425 3.703 20 0 DHADLP CC(C)[NH+](CCN(C)Cc1c[nH+]c2ccc(Cl)cn12)C(C)C ZINC000357003061 336569412 /nfs/dbraw/zinc/56/94/12/336569412.db2.gz VYOHZJNPAOTHNA-UHFFFAOYSA-N 2 2 322.884 3.538 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358318690 336623795 /nfs/dbraw/zinc/62/37/95/336623795.db2.gz MYIJPALBJXISAT-WBVHZDCISA-N 2 2 311.429 3.625 20 0 DHADLP Cc1cc2[nH]c(C[NH2+]C[C@@H]3CCCn4cc[nH+]c43)cc2c(C)c1 ZINC000359014009 336653153 /nfs/dbraw/zinc/65/31/53/336653153.db2.gz KIOVJMMMIHGIMS-HNNXBMFYSA-N 2 2 308.429 3.648 20 0 DHADLP CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000359145683 336659966 /nfs/dbraw/zinc/65/99/66/336659966.db2.gz QNRRNOPUUKOIEB-IAGOWNOFSA-N 2 2 319.474 3.617 20 0 DHADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000359371802 336669834 /nfs/dbraw/zinc/66/98/34/336669834.db2.gz AZJMIPKHERYPKB-ARFHVFGLSA-N 2 2 310.507 3.534 20 0 DHADLP COCCCCc1ccc[nH+]c1NCc1c[nH+]c2c(C)cccn12 ZINC000359473231 336674336 /nfs/dbraw/zinc/67/43/36/336674336.db2.gz POZKOYHBKIQSRX-UHFFFAOYSA-N 2 2 324.428 3.619 20 0 DHADLP Cc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360433868 336711526 /nfs/dbraw/zinc/71/15/26/336711526.db2.gz PEAPBSBRQHBAQN-GOSISDBHSA-N 2 2 323.484 3.575 20 0 DHADLP CCCCOCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000361340657 336752277 /nfs/dbraw/zinc/75/22/77/336752277.db2.gz HDWAWPKMSQXPQR-UHFFFAOYSA-N 2 2 315.461 3.798 20 0 DHADLP Fc1cc(Cl)cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000362523041 336802134 /nfs/dbraw/zinc/80/21/34/336802134.db2.gz DDARCPKUPXBZIP-UHFFFAOYSA-N 2 2 315.779 3.955 20 0 DHADLP Cn1cc[nH+]c1-c1cccc(C[NH2+][C@@H]2CCC[C@H]2CCF)c1 ZINC000367625405 336826989 /nfs/dbraw/zinc/82/69/89/336826989.db2.gz XXOWAOBHIJGTNB-DOTOQJQBSA-N 2 2 301.409 3.705 20 0 DHADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368003960 336834233 /nfs/dbraw/zinc/83/42/33/336834233.db2.gz AQWULMAZTIBSLO-IAGOWNOFSA-N 2 2 303.494 3.850 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC23CCC(CC2)C3)CC1 ZINC000368430536 336844598 /nfs/dbraw/zinc/84/45/98/336844598.db2.gz XBYAXFNYQJFKFS-UHFFFAOYSA-N 2 2 304.400 3.573 20 0 DHADLP Clc1cc(Cl)cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000370263542 336881095 /nfs/dbraw/zinc/88/10/95/336881095.db2.gz YTFXKSNZNBQTER-UHFFFAOYSA-N 2 2 310.228 3.816 20 0 DHADLP C[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccc2c(c1)CCC2 ZINC000370652552 336889640 /nfs/dbraw/zinc/88/96/40/336889640.db2.gz OMTVURYVAXTDQV-OAHLLOKOSA-N 2 2 318.424 3.607 20 0 DHADLP CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370668971 336890391 /nfs/dbraw/zinc/89/03/91/336890391.db2.gz CBILCGAEDBFDAH-MRXNPFEDSA-N 2 2 322.412 3.664 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1)CCC2 ZINC000370681141 336891075 /nfs/dbraw/zinc/89/10/75/336891075.db2.gz DJUPFTCOLVYKEF-NEPJUHHUSA-N 2 2 323.362 3.837 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@H](c3ncccc3C)C1)C2 ZINC000374225794 336984229 /nfs/dbraw/zinc/98/42/29/336984229.db2.gz SIIKMWRFUNAWEW-KSZLIROESA-N 2 2 324.472 3.526 20 0 DHADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000375062637 337002343 /nfs/dbraw/zinc/00/23/43/337002343.db2.gz UREBMONUPCDRES-OGWHTMIXSA-N 2 2 320.525 3.607 20 0 DHADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000375062637 337002344 /nfs/dbraw/zinc/00/23/44/337002344.db2.gz UREBMONUPCDRES-OGWHTMIXSA-N 2 2 320.525 3.607 20 0 DHADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1Cl ZINC000375273031 337007069 /nfs/dbraw/zinc/00/70/69/337007069.db2.gz WJFBFFNTEIYRAZ-NSHDSACASA-N 2 2 307.800 3.863 20 0 DHADLP CCC1CCC(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000122498462 337009650 /nfs/dbraw/zinc/00/96/50/337009650.db2.gz ORQTYJWDFKTJSU-UHFFFAOYSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)[NH+]2CCCC2)cc1 ZINC000375896277 337022522 /nfs/dbraw/zinc/02/25/22/337022522.db2.gz VKDYQOIKFBXWMN-AZUAARDMSA-N 2 2 324.472 3.522 20 0 DHADLP FCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000375958668 337024339 /nfs/dbraw/zinc/02/43/39/337024339.db2.gz DBSYFMPUBLHREV-QFBILLFUSA-N 2 2 319.468 3.554 20 0 DHADLP C[C@@H]1C[C@@H](Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)CC[N@@H+]1C ZINC000376168785 337028845 /nfs/dbraw/zinc/02/88/45/337028845.db2.gz YCCDTDWFINMKGF-QAPCUYQASA-N 2 2 324.472 3.781 20 0 DHADLP C[C@@H]1C[C@@H](Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)CC[N@H+]1C ZINC000376168785 337028846 /nfs/dbraw/zinc/02/88/46/337028846.db2.gz YCCDTDWFINMKGF-QAPCUYQASA-N 2 2 324.472 3.781 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@@H](C2CC2)[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000376858680 337042846 /nfs/dbraw/zinc/04/28/46/337042846.db2.gz KUIHOEWSPWIGAR-DQLDELGASA-N 2 2 321.468 3.785 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@@H](C2CC2)[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000376858680 337042847 /nfs/dbraw/zinc/04/28/47/337042847.db2.gz KUIHOEWSPWIGAR-DQLDELGASA-N 2 2 321.468 3.785 20 0 DHADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377411410 337052215 /nfs/dbraw/zinc/05/22/15/337052215.db2.gz LDZXCTHCLRUGGS-QWRGUYRKSA-N 2 2 324.255 3.795 20 0 DHADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377411410 337052216 /nfs/dbraw/zinc/05/22/16/337052216.db2.gz LDZXCTHCLRUGGS-QWRGUYRKSA-N 2 2 324.255 3.795 20 0 DHADLP COc1cc([C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1F ZINC000377549786 337054898 /nfs/dbraw/zinc/05/48/98/337054898.db2.gz MPTUSVDNBPTFHK-CJNGLKHVSA-N 2 2 317.408 3.565 20 0 DHADLP COc1cc([C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1F ZINC000377549786 337054899 /nfs/dbraw/zinc/05/48/99/337054899.db2.gz MPTUSVDNBPTFHK-CJNGLKHVSA-N 2 2 317.408 3.565 20 0 DHADLP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377640857 337057125 /nfs/dbraw/zinc/05/71/25/337057125.db2.gz BSGZJBVDXBBFLK-PKOBYXMFSA-N 2 2 303.494 3.565 20 0 DHADLP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377640857 337057126 /nfs/dbraw/zinc/05/71/26/337057126.db2.gz BSGZJBVDXBBFLK-PKOBYXMFSA-N 2 2 303.494 3.565 20 0 DHADLP CCCC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377693952 337058807 /nfs/dbraw/zinc/05/88/07/337058807.db2.gz DNZDERZPLQVAPR-NEPXVJNWSA-N 2 2 303.494 3.879 20 0 DHADLP CCCC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377693952 337058808 /nfs/dbraw/zinc/05/88/08/337058808.db2.gz DNZDERZPLQVAPR-NEPXVJNWSA-N 2 2 303.494 3.879 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1Cl ZINC000377798688 337061425 /nfs/dbraw/zinc/06/14/25/337061425.db2.gz LMFIDEHHZNZSTN-MWLCHTKSSA-N 2 2 310.228 3.925 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCS2 ZINC000377798886 337061477 /nfs/dbraw/zinc/06/14/77/337061477.db2.gz NYTOWDOYUJMNKB-UKRRQHHQSA-N 2 2 313.470 3.711 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCS2 ZINC000377798886 337061478 /nfs/dbraw/zinc/06/14/78/337061478.db2.gz NYTOWDOYUJMNKB-UKRRQHHQSA-N 2 2 313.470 3.711 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC=CCC3)[C@H](C)C2)s1 ZINC000378245130 337068623 /nfs/dbraw/zinc/06/86/23/337068623.db2.gz SFDYLNCZHBBYJF-KYJSFNMBSA-N 2 2 319.518 3.608 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC=CCC3)[C@H](C)C2)s1 ZINC000378245130 337068624 /nfs/dbraw/zinc/06/86/24/337068624.db2.gz SFDYLNCZHBBYJF-KYJSFNMBSA-N 2 2 319.518 3.608 20 0 DHADLP Cc1ccc(NC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000378438724 337072721 /nfs/dbraw/zinc/07/27/21/337072721.db2.gz KSEDMOBKHCEVDH-UHFFFAOYSA-N 2 2 320.440 3.719 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)[C@H](C)C2 ZINC000378490684 337074149 /nfs/dbraw/zinc/07/41/49/337074149.db2.gz CUHYNFOEKOIXEW-QRWLVFNGSA-N 2 2 309.457 3.593 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(-n3cc[nH+]c3)c1)[C@H](C)C2 ZINC000378498416 337074455 /nfs/dbraw/zinc/07/44/55/337074455.db2.gz RWDPEYZGAKDYOT-QRWLVFNGSA-N 2 2 318.424 3.599 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000360042021 337084465 /nfs/dbraw/zinc/08/44/65/337084465.db2.gz SXLRAWRGNKJJQQ-UKRRQHHQSA-N 2 2 300.368 3.754 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000360042021 337084466 /nfs/dbraw/zinc/08/44/66/337084466.db2.gz SXLRAWRGNKJJQQ-UKRRQHHQSA-N 2 2 300.368 3.754 20 0 DHADLP CCOc1ccc(C[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)cc1 ZINC000360062714 337084893 /nfs/dbraw/zinc/08/48/93/337084893.db2.gz WMLFUZBXCJSTIL-UHFFFAOYSA-N 2 2 321.424 3.776 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000177906874 337159090 /nfs/dbraw/zinc/15/90/90/337159090.db2.gz PLGAGLGNTNDMAJ-HIFRSBDPSA-N 2 2 312.442 3.576 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000177906874 337159091 /nfs/dbraw/zinc/15/90/91/337159091.db2.gz PLGAGLGNTNDMAJ-HIFRSBDPSA-N 2 2 312.442 3.576 20 0 DHADLP CC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1F ZINC000180086506 337173503 /nfs/dbraw/zinc/17/35/03/337173503.db2.gz QAMBYLQSRJZECE-QGZVFWFLSA-N 2 2 310.376 3.647 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181120897 337179982 /nfs/dbraw/zinc/17/99/82/337179982.db2.gz CMHJNEYICHYIFB-HZPDHXFCSA-N 2 2 313.445 3.697 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181120897 337179983 /nfs/dbraw/zinc/17/99/83/337179983.db2.gz CMHJNEYICHYIFB-HZPDHXFCSA-N 2 2 313.445 3.697 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000392552326 337262391 /nfs/dbraw/zinc/26/23/91/337262391.db2.gz YLETZIQURIAKJC-NBHGPNQESA-N 2 2 324.468 3.857 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000392552326 337262392 /nfs/dbraw/zinc/26/23/92/337262392.db2.gz YLETZIQURIAKJC-NBHGPNQESA-N 2 2 324.468 3.857 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H]3CCOc4c(C)cccc43)c[nH+]c12 ZINC000188875113 337275955 /nfs/dbraw/zinc/27/59/55/337275955.db2.gz KGCNMEGRHVJURI-QGZVFWFLSA-N 2 2 307.397 3.565 20 0 DHADLP COCCC1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CCCCC1 ZINC000189826837 337283265 /nfs/dbraw/zinc/28/32/65/337283265.db2.gz SFHPCLGBRXGRAS-UHFFFAOYSA-N 2 2 305.466 3.507 20 0 DHADLP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583898807 337384717 /nfs/dbraw/zinc/38/47/17/337384717.db2.gz MEZJXXCRKRSDCN-IUPXNIOVSA-N 2 2 310.432 3.777 20 0 DHADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(C2CCCCC2)n1 ZINC000420359223 337499636 /nfs/dbraw/zinc/49/96/36/337499636.db2.gz JPCYIYCXILPWGD-OAHLLOKOSA-N 2 2 307.507 3.669 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000161646739 337593969 /nfs/dbraw/zinc/59/39/69/337593969.db2.gz MWEUJIHATUSLSK-CYBMUJFWSA-N 2 2 310.869 3.874 20 0 DHADLP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c2cc(N)ccc2O1 ZINC000572234684 337599576 /nfs/dbraw/zinc/59/95/76/337599576.db2.gz YLTXSPLOMRYZES-KSZLIROESA-N 2 2 323.440 3.605 20 0 DHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000421821585 337649281 /nfs/dbraw/zinc/64/92/81/337649281.db2.gz SEGMBJQKFBECSJ-ZDUSSCGKSA-N 2 2 322.880 3.874 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)c2ccccc21 ZINC000422778076 337686209 /nfs/dbraw/zinc/68/62/09/337686209.db2.gz HEOSDEZYUUXHOD-FUMNGEBKSA-N 2 2 308.425 3.641 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)on1 ZINC000422795060 337686939 /nfs/dbraw/zinc/68/69/39/337686939.db2.gz ZNWGCUZWXCWDCB-HOCLYGCPSA-N 2 2 307.482 3.979 20 0 DHADLP CSc1ccc(F)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422812819 337687868 /nfs/dbraw/zinc/68/78/68/337687868.db2.gz WZSWEBVENKDAFP-CXAGYDPISA-N 2 2 318.461 3.596 20 0 DHADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Oc2cccnc2)cc1 ZINC000423118586 337700308 /nfs/dbraw/zinc/70/03/08/337700308.db2.gz BLFNJFBKINSUCL-CLCXKQKWSA-N 2 2 311.429 3.665 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423190010 337703014 /nfs/dbraw/zinc/70/30/14/337703014.db2.gz NDDRGBUGQMNWGX-SWLSCSKDSA-N 2 2 301.459 3.521 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423190009 337703091 /nfs/dbraw/zinc/70/30/91/337703091.db2.gz NDDRGBUGQMNWGX-IUODEOHRSA-N 2 2 301.459 3.521 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423190008 337703093 /nfs/dbraw/zinc/70/30/93/337703093.db2.gz NDDRGBUGQMNWGX-DOMZBBRYSA-N 2 2 301.459 3.521 20 0 DHADLP C[NH2+]CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423199691 337703501 /nfs/dbraw/zinc/70/35/01/337703501.db2.gz KNFUTFKONWWDQE-KRWDZBQOSA-N 2 2 306.812 3.768 20 0 DHADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423266206 337708231 /nfs/dbraw/zinc/70/82/31/337708231.db2.gz DGEXNGNBMMXAOK-CABZTGNLSA-N 2 2 306.784 3.575 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1OC ZINC000423285199 337709467 /nfs/dbraw/zinc/70/94/67/337709467.db2.gz XZIWPOZNWCPPAJ-HNNXBMFYSA-N 2 2 320.477 3.667 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423332043 337712349 /nfs/dbraw/zinc/71/23/49/337712349.db2.gz OTRGAEIOPUDWRW-KSSFIOAISA-N 2 2 315.486 3.850 20 0 DHADLP [NH3+][C@@H](C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CC1 ZINC000423326785 337715352 /nfs/dbraw/zinc/71/53/52/337715352.db2.gz RCXJMHDNZMKVCQ-ROUUACIJSA-N 2 2 318.823 3.895 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CCC(F)(F)CC1 ZINC000423416258 337716594 /nfs/dbraw/zinc/71/65/94/337716594.db2.gz FPQKRTQZAZDZGF-GUYCJALGSA-N 2 2 308.416 3.677 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423377901 337717480 /nfs/dbraw/zinc/71/74/80/337717480.db2.gz KQNVTAPSBITWGR-RDTXWAMCSA-N 2 2 317.864 3.606 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000423378346 337717497 /nfs/dbraw/zinc/71/74/97/337717497.db2.gz KVRLOXQCCCHOPG-OXQOHEQNSA-N 2 2 312.457 3.567 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH2+]1 ZINC000423393598 337718564 /nfs/dbraw/zinc/71/85/64/337718564.db2.gz YXAJGBVZZGTDTR-UGSOOPFHSA-N 2 2 316.395 3.784 20 0 DHADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000423445245 337719678 /nfs/dbraw/zinc/71/96/78/337719678.db2.gz MMYWREJUMDGDTK-BBBLOLIVSA-N 2 2 311.223 3.582 20 0 DHADLP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423463133 337720632 /nfs/dbraw/zinc/72/06/32/337720632.db2.gz LCWQIJSJTOPGMC-WBVHZDCISA-N 2 2 320.383 3.704 20 0 DHADLP CCC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccsc1 ZINC000423531945 337724570 /nfs/dbraw/zinc/72/45/70/337724570.db2.gz QQABROYAEKZZLV-RCCFBDPRSA-N 2 2 300.471 3.935 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(Cl)cn1 ZINC000423533200 337724654 /nfs/dbraw/zinc/72/46/54/337724654.db2.gz XAVCRUXTSJPAMQ-XZELYNGVSA-N 2 2 319.880 3.539 20 0 DHADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1csc(-c2ccccc2)n1 ZINC000423550413 337725459 /nfs/dbraw/zinc/72/54/59/337725459.db2.gz IJXZEDPEIFMYPE-CYBMUJFWSA-N 2 2 301.459 3.603 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CCCC[NH2+]C3)c(C)c2c1 ZINC000423565600 337725550 /nfs/dbraw/zinc/72/55/50/337725550.db2.gz SOSIYGFLBJLFSF-UONOGXRCSA-N 2 2 302.418 3.543 20 0 DHADLP Cn1c(CCC[NH2+]Cc2ccc3cc[nH]c3c2)[nH+]c2ccccc21 ZINC000527661279 337756790 /nfs/dbraw/zinc/75/67/90/337756790.db2.gz JDVJAAZLNXLAPX-UHFFFAOYSA-N 2 2 318.424 3.777 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000527692847 337760266 /nfs/dbraw/zinc/76/02/66/337760266.db2.gz PKJWXWWWHQNSJW-QRWLVFNGSA-N 2 2 307.441 3.949 20 0 DHADLP CCCCOCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000119592593 337862121 /nfs/dbraw/zinc/86/21/21/337862121.db2.gz UAPQEGGQBXUIAZ-UHFFFAOYSA-N 2 2 324.896 3.711 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC000119857123 337866661 /nfs/dbraw/zinc/86/66/61/337866661.db2.gz MWOGYNTXKAVGIF-AWEZNQCLSA-N 2 2 320.477 3.617 20 0 DHADLP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000091264079 337890792 /nfs/dbraw/zinc/89/07/92/337890792.db2.gz IXUHATDCNRWJRI-OAHLLOKOSA-N 2 2 311.351 3.889 20 0 DHADLP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000445456318 338017471 /nfs/dbraw/zinc/01/74/71/338017471.db2.gz IMTOZSVLWNVXEP-IAGOWNOFSA-N 2 2 323.484 3.925 20 0 DHADLP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000445456318 338017472 /nfs/dbraw/zinc/01/74/72/338017472.db2.gz IMTOZSVLWNVXEP-IAGOWNOFSA-N 2 2 323.484 3.925 20 0 DHADLP Cc1nc2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2s1 ZINC000426399670 338030677 /nfs/dbraw/zinc/03/06/77/338030677.db2.gz BWOORDROPBUVSX-AWEZNQCLSA-N 2 2 312.442 3.707 20 0 DHADLP Cc1nc2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2s1 ZINC000426399670 338030678 /nfs/dbraw/zinc/03/06/78/338030678.db2.gz BWOORDROPBUVSX-AWEZNQCLSA-N 2 2 312.442 3.707 20 0 DHADLP Cc1nc2ccc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cc2s1 ZINC000426412918 338031079 /nfs/dbraw/zinc/03/10/79/338031079.db2.gz PWPHHMFMTXHWRM-UHFFFAOYSA-N 2 2 312.442 3.707 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](OC(C)C)c1ccccc1 ZINC000428243309 338044217 /nfs/dbraw/zinc/04/42/17/338044217.db2.gz WSJRQIRURFWIPO-HSALFYBXSA-N 2 2 316.489 3.711 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](OC(C)C)c1ccccc1 ZINC000428243309 338044218 /nfs/dbraw/zinc/04/42/18/338044218.db2.gz WSJRQIRURFWIPO-HSALFYBXSA-N 2 2 316.489 3.711 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](OC(C)C)c1ccccc1 ZINC000428243309 338044219 /nfs/dbraw/zinc/04/42/19/338044219.db2.gz WSJRQIRURFWIPO-HSALFYBXSA-N 2 2 316.489 3.711 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](OC(C)C)c1ccccc1 ZINC000428243309 338044220 /nfs/dbraw/zinc/04/42/20/338044220.db2.gz WSJRQIRURFWIPO-HSALFYBXSA-N 2 2 316.489 3.711 20 0 DHADLP CC[C@H]1C[C@H](C[N@H+](C)C(C)(C)C[NH+]2CCCCCC2)CCO1 ZINC000428475524 338054425 /nfs/dbraw/zinc/05/44/25/338054425.db2.gz AHEPTEFHHGJKLP-MSOLQXFVSA-N 2 2 310.526 3.778 20 0 DHADLP CC[C@H]1C[C@H](C[N@@H+](C)C(C)(C)C[NH+]2CCCCCC2)CCO1 ZINC000428475524 338054426 /nfs/dbraw/zinc/05/44/26/338054426.db2.gz AHEPTEFHHGJKLP-MSOLQXFVSA-N 2 2 310.526 3.778 20 0 DHADLP CCCn1cc[nH+]c1CCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000428653594 338057957 /nfs/dbraw/zinc/05/79/57/338057957.db2.gz SVUSQMRIYLHDCW-UHFFFAOYSA-N 2 2 315.465 3.584 20 0 DHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428855289 338062546 /nfs/dbraw/zinc/06/25/46/338062546.db2.gz CVROUEPSLUOIRD-CYBMUJFWSA-N 2 2 321.465 3.645 20 0 DHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428855289 338062547 /nfs/dbraw/zinc/06/25/47/338062547.db2.gz CVROUEPSLUOIRD-CYBMUJFWSA-N 2 2 321.465 3.645 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)CC1 ZINC000429534246 338083286 /nfs/dbraw/zinc/08/32/86/338083286.db2.gz IDITYLHEIZJWBC-GFCCVEGCSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)CC1 ZINC000429534246 338083287 /nfs/dbraw/zinc/08/32/87/338083287.db2.gz IDITYLHEIZJWBC-GFCCVEGCSA-N 2 2 301.261 3.910 20 0 DHADLP Clc1ccc(OCC2CC2)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000430003511 338093278 /nfs/dbraw/zinc/09/32/78/338093278.db2.gz HSWLHSAOBQLVQM-UHFFFAOYSA-N 2 2 319.836 3.505 20 0 DHADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(Oc4ccccc4)o3)C2)C1 ZINC000430115039 338097475 /nfs/dbraw/zinc/09/74/75/338097475.db2.gz UMEFTRMKRHFUPO-IBGZPJMESA-N 2 2 312.413 3.600 20 0 DHADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(Oc4ccccc4)o3)C2)C1 ZINC000430115039 338097476 /nfs/dbraw/zinc/09/74/76/338097476.db2.gz UMEFTRMKRHFUPO-IBGZPJMESA-N 2 2 312.413 3.600 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(Oc4ccccc4)o3)C2)C1 ZINC000430115039 338097477 /nfs/dbraw/zinc/09/74/77/338097477.db2.gz UMEFTRMKRHFUPO-IBGZPJMESA-N 2 2 312.413 3.600 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)C1 ZINC000430115039 338097478 /nfs/dbraw/zinc/09/74/78/338097478.db2.gz UMEFTRMKRHFUPO-IBGZPJMESA-N 2 2 312.413 3.600 20 0 DHADLP C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)[C@H]1C[NH3+] ZINC000430586963 338109344 /nfs/dbraw/zinc/10/93/44/338109344.db2.gz ZTFCTMOCPKZISO-SJCJKPOMSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)[C@H]1C[NH3+] ZINC000430586963 338109345 /nfs/dbraw/zinc/10/93/45/338109345.db2.gz ZTFCTMOCPKZISO-SJCJKPOMSA-N 2 2 319.836 3.554 20 0 DHADLP C[NH+](C)[C@@H](C[NH2+]CCSCc1ccccc1)c1ccccc1 ZINC000430761184 338114220 /nfs/dbraw/zinc/11/42/20/338114220.db2.gz JKKYKPARWPYJJC-IBGZPJMESA-N 2 2 314.498 3.812 20 0 DHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000431349616 338128804 /nfs/dbraw/zinc/12/88/04/338128804.db2.gz MIURYKUNHYKMPD-GOSISDBHSA-N 2 2 302.462 3.709 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C2CCC2)o1 ZINC000432413593 338155455 /nfs/dbraw/zinc/15/54/55/338155455.db2.gz NCZLNRNUYQVEFL-VQIMIIECSA-N 2 2 320.477 3.520 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CCC2)o1 ZINC000432413593 338155456 /nfs/dbraw/zinc/15/54/56/338155456.db2.gz NCZLNRNUYQVEFL-VQIMIIECSA-N 2 2 320.477 3.520 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)s3)CC[C@@H]21 ZINC000432722054 338164067 /nfs/dbraw/zinc/16/40/67/338164067.db2.gz IAHIPQHTALQXMI-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C(F)(F)F)s3)CC[C@@H]21 ZINC000432722054 338164068 /nfs/dbraw/zinc/16/40/68/338164068.db2.gz IAHIPQHTALQXMI-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)s3)CC[C@@H]21 ZINC000432722054 338164069 /nfs/dbraw/zinc/16/40/69/338164069.db2.gz IAHIPQHTALQXMI-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)s3)CC[C@@H]21 ZINC000432722054 338164070 /nfs/dbraw/zinc/16/40/70/338164070.db2.gz IAHIPQHTALQXMI-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000432752477 338166440 /nfs/dbraw/zinc/16/64/40/338166440.db2.gz MBBNJTOPJBGOHC-AAEUAGOBSA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000432752477 338166441 /nfs/dbraw/zinc/16/64/41/338166441.db2.gz MBBNJTOPJBGOHC-AAEUAGOBSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000432752477 338166442 /nfs/dbraw/zinc/16/64/42/338166442.db2.gz MBBNJTOPJBGOHC-AAEUAGOBSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000432752477 338166443 /nfs/dbraw/zinc/16/64/43/338166443.db2.gz MBBNJTOPJBGOHC-AAEUAGOBSA-N 2 2 320.424 3.929 20 0 DHADLP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)s2)o1 ZINC000432783911 338167487 /nfs/dbraw/zinc/16/74/87/338167487.db2.gz DSQIRAPJURDXBU-CQSZACIVSA-N 2 2 319.474 3.628 20 0 DHADLP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)s2)o1 ZINC000432783911 338167488 /nfs/dbraw/zinc/16/74/88/338167488.db2.gz DSQIRAPJURDXBU-CQSZACIVSA-N 2 2 319.474 3.628 20 0 DHADLP C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000153000675 338215371 /nfs/dbraw/zinc/21/53/71/338215371.db2.gz NRVADDNBQIXBRW-ZFWWWQNUSA-N 2 2 300.368 3.582 20 0 DHADLP C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000153000675 338215372 /nfs/dbraw/zinc/21/53/72/338215372.db2.gz NRVADDNBQIXBRW-ZFWWWQNUSA-N 2 2 300.368 3.582 20 0 DHADLP Cc1cc(C)c(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)c(C)c1 ZINC000434659885 338222669 /nfs/dbraw/zinc/22/26/69/338222669.db2.gz VWYULIYRCRBDHH-UHFFFAOYSA-N 2 2 315.486 3.658 20 0 DHADLP C[C@H]([NH3+])CCC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000434690286 338223543 /nfs/dbraw/zinc/22/35/43/338223543.db2.gz FZFCMAMXUYHSHW-NSHDSACASA-N 2 2 319.792 3.593 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1nccs1 ZINC000153412040 338224121 /nfs/dbraw/zinc/22/41/21/338224121.db2.gz IXEVOEJBJBFTCK-YCPHGPKFSA-N 2 2 307.507 3.837 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434790047 338225603 /nfs/dbraw/zinc/22/56/03/338225603.db2.gz QCOIKRWHVFDAAX-VNHYZAJKSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434790047 338225604 /nfs/dbraw/zinc/22/56/04/338225604.db2.gz QCOIKRWHVFDAAX-VNHYZAJKSA-N 2 2 304.400 3.714 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[N@@H+]1C1CC1 ZINC000435790160 338249472 /nfs/dbraw/zinc/24/94/72/338249472.db2.gz HZWAQCXWQMLMIB-CSFVBSKPSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[N@H+]1C1CC1 ZINC000435790160 338249473 /nfs/dbraw/zinc/24/94/73/338249473.db2.gz HZWAQCXWQMLMIB-CSFVBSKPSA-N 2 2 304.865 3.801 20 0 DHADLP FC(F)(F)c1cc(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000436232881 338262673 /nfs/dbraw/zinc/26/26/73/338262673.db2.gz QJQVTDPWZGDZSA-CYBMUJFWSA-N 2 2 318.770 3.685 20 0 DHADLP FC(F)(F)c1cc(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000436232881 338262674 /nfs/dbraw/zinc/26/26/74/338262674.db2.gz QJQVTDPWZGDZSA-CYBMUJFWSA-N 2 2 318.770 3.685 20 0 DHADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CCCNc3cccc[nH+]3)C2)cc1 ZINC000436306947 338268162 /nfs/dbraw/zinc/26/81/62/338268162.db2.gz QDFVTMRBKNLMLD-RBUKOAKNSA-N 2 2 309.457 3.885 20 0 DHADLP Fc1cccc2[nH]c(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc21 ZINC000437623346 338316438 /nfs/dbraw/zinc/31/64/38/338316438.db2.gz VDVGGUKPNIRXKW-CQSZACIVSA-N 2 2 324.403 3.636 20 0 DHADLP Fc1cccc2[nH]c(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc21 ZINC000437623346 338316439 /nfs/dbraw/zinc/31/64/39/338316439.db2.gz VDVGGUKPNIRXKW-CQSZACIVSA-N 2 2 324.403 3.636 20 0 DHADLP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000437772405 338320842 /nfs/dbraw/zinc/32/08/42/338320842.db2.gz ICZZDGGECOTKLU-AZUAARDMSA-N 2 2 309.457 3.984 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000438102122 338331552 /nfs/dbraw/zinc/33/15/52/338331552.db2.gz CYXTWRKTXBDZQZ-UGSOOPFHSA-N 2 2 312.392 3.587 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000438102122 338331553 /nfs/dbraw/zinc/33/15/53/338331553.db2.gz CYXTWRKTXBDZQZ-UGSOOPFHSA-N 2 2 312.392 3.587 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000441349522 338409993 /nfs/dbraw/zinc/40/99/93/338409993.db2.gz FYADFFSFMAOGCQ-MOPGFXCFSA-N 2 2 322.537 3.826 20 0 DHADLP COC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCCC1 ZINC000446759908 338535189 /nfs/dbraw/zinc/53/51/89/338535189.db2.gz QPXJCTHTDUYUDR-PMACEKPBSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000467309249 338546176 /nfs/dbraw/zinc/54/61/76/338546176.db2.gz POMLHDUOGRBEIS-GUDVDZBRSA-N 2 2 317.521 3.982 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000447739250 338565400 /nfs/dbraw/zinc/56/54/00/338565400.db2.gz DYMVBTHBCYTPAK-UHFFFAOYSA-N 2 2 312.860 3.874 20 0 DHADLP C[C@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1cc(F)cc(F)c1 ZINC000449033597 338585890 /nfs/dbraw/zinc/58/58/90/338585890.db2.gz FDVQSNTXFINLEX-GFCCVEGCSA-N 2 2 305.372 3.671 20 0 DHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000449062126 338589607 /nfs/dbraw/zinc/58/96/07/338589607.db2.gz IKBGNJFSXLPEDH-MSOLQXFVSA-N 2 2 323.484 3.828 20 0 DHADLP COc1cc(C)ccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000449104407 338593868 /nfs/dbraw/zinc/59/38/68/338593868.db2.gz VSAYVGIGSUULLQ-UHFFFAOYSA-N 2 2 309.413 3.602 20 0 DHADLP CC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCC1 ZINC000449292749 338610134 /nfs/dbraw/zinc/61/01/34/338610134.db2.gz DWTUCHHRELYWQS-UYSNPLJNSA-N 2 2 318.427 3.960 20 0 DHADLP FC1(F)CCCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449380135 338619512 /nfs/dbraw/zinc/61/95/12/338619512.db2.gz VLXJANDYNRKZEH-LBPRGKRZSA-N 2 2 311.401 3.849 20 0 DHADLP CSc1ccccc1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000194909425 338778511 /nfs/dbraw/zinc/77/85/11/338778511.db2.gz MPGGLYHEEHBVRI-AWEZNQCLSA-N 2 2 301.459 3.956 20 0 DHADLP CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453052918 338787941 /nfs/dbraw/zinc/78/79/41/338787941.db2.gz DXRDATPSISXYFI-LSDHHAIUSA-N 2 2 309.417 3.501 20 0 DHADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000453460452 338843619 /nfs/dbraw/zinc/84/36/19/338843619.db2.gz WRWKLPDQOKUFKU-LSDHHAIUSA-N 2 2 306.416 3.818 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000459364579 339024862 /nfs/dbraw/zinc/02/48/62/339024862.db2.gz JAHSBXFEONFVRU-UHFFFAOYSA-N 2 2 321.424 3.657 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(F)cc(C)cc1Cl)CCC2 ZINC000459426337 339028493 /nfs/dbraw/zinc/02/84/93/339028493.db2.gz SWWCHRPBWCLUJG-ZDUSSCGKSA-N 2 2 321.827 3.960 20 0 DHADLP Cn1c[nH+]cc1CC[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000459455136 339030117 /nfs/dbraw/zinc/03/01/17/339030117.db2.gz CNTFDGWKBYUJEZ-SFHVURJKSA-N 2 2 319.399 3.525 20 0 DHADLP CCC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000459770079 339047487 /nfs/dbraw/zinc/04/74/87/339047487.db2.gz RSHWIZFVXAJONT-HNNXBMFYSA-N 2 2 306.416 3.962 20 0 DHADLP Cc1ccc(C[C@H](C)[NH2+]Cc2c[nH+]c3c(C)cccn23)c(C)c1 ZINC000462745175 339086502 /nfs/dbraw/zinc/08/65/02/339086502.db2.gz OEZAKDCCGVGHLA-KRWDZBQOSA-N 2 2 307.441 3.980 20 0 DHADLP CC[N@H+](C)CC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462883216 339096184 /nfs/dbraw/zinc/09/61/84/339096184.db2.gz KKIFBJKOVHDRGZ-OAHLLOKOSA-N 2 2 301.478 3.765 20 0 DHADLP CC[N@@H+](C)CC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462883216 339096185 /nfs/dbraw/zinc/09/61/85/339096185.db2.gz KKIFBJKOVHDRGZ-OAHLLOKOSA-N 2 2 301.478 3.765 20 0 DHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000462898630 339096774 /nfs/dbraw/zinc/09/67/74/339096774.db2.gz WFAQDMGKGBJHHN-JKSUJKDBSA-N 2 2 313.489 3.908 20 0 DHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000462898630 339096775 /nfs/dbraw/zinc/09/67/75/339096775.db2.gz WFAQDMGKGBJHHN-JKSUJKDBSA-N 2 2 313.489 3.908 20 0 DHADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000466477442 339206673 /nfs/dbraw/zinc/20/66/73/339206673.db2.gz LWWGUKJVMRGAGC-SDPXSBNPSA-N 2 2 313.272 3.779 20 0 DHADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000466477442 339206674 /nfs/dbraw/zinc/20/66/74/339206674.db2.gz LWWGUKJVMRGAGC-SDPXSBNPSA-N 2 2 313.272 3.779 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000467348848 339232994 /nfs/dbraw/zinc/23/29/94/339232994.db2.gz HQJJAYRYPQOKGF-OTWHNJEPSA-N 2 2 315.505 3.880 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000467348848 339232995 /nfs/dbraw/zinc/23/29/95/339232995.db2.gz HQJJAYRYPQOKGF-OTWHNJEPSA-N 2 2 315.505 3.880 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000468047323 339252663 /nfs/dbraw/zinc/25/26/63/339252663.db2.gz JRPRDXGICPRUSX-VNHYZAJKSA-N 2 2 300.368 3.752 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000468047323 339252664 /nfs/dbraw/zinc/25/26/64/339252664.db2.gz JRPRDXGICPRUSX-VNHYZAJKSA-N 2 2 300.368 3.752 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468521040 339265280 /nfs/dbraw/zinc/26/52/80/339265280.db2.gz DATPIGKMOPUTNR-FMKPAKJESA-N 2 2 314.395 3.828 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468521040 339265281 /nfs/dbraw/zinc/26/52/81/339265281.db2.gz DATPIGKMOPUTNR-FMKPAKJESA-N 2 2 314.395 3.828 20 0 DHADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000470021388 339308840 /nfs/dbraw/zinc/30/88/40/339308840.db2.gz VIJWOZUKTLWGAK-LBPRGKRZSA-N 2 2 321.877 3.505 20 0 DHADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000470021388 339308841 /nfs/dbraw/zinc/30/88/41/339308841.db2.gz VIJWOZUKTLWGAK-LBPRGKRZSA-N 2 2 321.877 3.505 20 0 DHADLP COc1ccccc1/C=C\C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000472039311 339360128 /nfs/dbraw/zinc/36/01/28/339360128.db2.gz WMRXUDQQCGMWFV-OUKHBBSGSA-N 2 2 324.468 3.989 20 0 DHADLP CCC(CC)[C@@H]1C[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)CCO1 ZINC000474932156 339431887 /nfs/dbraw/zinc/43/18/87/339431887.db2.gz UALJOOQURQYRJJ-MOPGFXCFSA-N 2 2 304.478 3.896 20 0 DHADLP CC(C)(C[NH2+][C@H]1CCc2c1c(F)ccc2F)C[NH+]1CCCC1 ZINC000477916688 339504473 /nfs/dbraw/zinc/50/44/73/339504473.db2.gz LBKVHUDKVSEQJU-INIZCTEOSA-N 2 2 308.416 3.664 20 0 DHADLP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000486965112 339740450 /nfs/dbraw/zinc/74/04/50/339740450.db2.gz JJFWXUQHNMFKOK-UHFFFAOYSA-N 2 2 324.896 3.949 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H]2CCSC2)c(C)c1 ZINC000487573862 339758125 /nfs/dbraw/zinc/75/81/25/339758125.db2.gz MAJKNCXZSMECOQ-FUHWJXTLSA-N 2 2 315.486 3.584 20 0 DHADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CS1 ZINC000488326354 339777132 /nfs/dbraw/zinc/77/71/32/339777132.db2.gz LOHHEDDHELEFNO-NVXWUHKLSA-N 2 2 315.486 3.882 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000488458045 339783747 /nfs/dbraw/zinc/78/37/47/339783747.db2.gz JUGUORJOTFUTAR-YJBOKZPZSA-N 2 2 317.502 3.855 20 0 DHADLP CC(C)c1cc(N2CCC[C@@H]2C[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC000489903368 339820917 /nfs/dbraw/zinc/82/09/17/339820917.db2.gz YRUKHKNHVWKDQV-MRXNPFEDSA-N 2 2 316.493 3.788 20 0 DHADLP Cc1ccccc1-c1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494406516 339948351 /nfs/dbraw/zinc/94/83/51/339948351.db2.gz PZRNUMHMXIGAAM-IBGZPJMESA-N 2 2 317.436 3.963 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)C[N@@H+]1C1CC1 ZINC000499671784 340042565 /nfs/dbraw/zinc/04/25/65/340042565.db2.gz QMFJKFUKQSMWOS-DGCLKSJQSA-N 2 2 313.272 3.751 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)C[N@H+]1C1CC1 ZINC000499671784 340042566 /nfs/dbraw/zinc/04/25/66/340042566.db2.gz QMFJKFUKQSMWOS-DGCLKSJQSA-N 2 2 313.272 3.751 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(OC(C)(C)C)c1 ZINC000499682412 340042682 /nfs/dbraw/zinc/04/26/82/340042682.db2.gz SRGWJPXTFSCMPT-NVXWUHKLSA-N 2 2 316.489 3.887 20 0 DHADLP Cc1cccn2c(C[NH2+]C(C)(C)COCc3ccccc3)c[nH+]c12 ZINC000500421064 340057970 /nfs/dbraw/zinc/05/79/70/340057970.db2.gz GNJIOKIGSIWOIW-UHFFFAOYSA-N 2 2 323.440 3.728 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000501402396 340080143 /nfs/dbraw/zinc/08/01/43/340080143.db2.gz BAVGHYWBRGYDQC-XXYUJHKVSA-N 2 2 323.362 3.984 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000501413551 340080260 /nfs/dbraw/zinc/08/02/60/340080260.db2.gz PPAVLVIQDHRDFG-NRMKIYEFSA-N 2 2 324.390 3.935 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000501413551 340080261 /nfs/dbraw/zinc/08/02/61/340080261.db2.gz PPAVLVIQDHRDFG-NRMKIYEFSA-N 2 2 324.390 3.935 20 0 DHADLP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000502054508 340094243 /nfs/dbraw/zinc/09/42/43/340094243.db2.gz SFLTUJZZNVISTF-PMACEKPBSA-N 2 2 316.489 3.577 20 0 DHADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000502279267 340098283 /nfs/dbraw/zinc/09/82/83/340098283.db2.gz GLLHPCQQBZYZOR-ZACQAIPSSA-N 2 2 308.535 3.516 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000502698721 340111136 /nfs/dbraw/zinc/11/11/36/340111136.db2.gz GRWAMZZIQPPPSJ-LEAZDLGRSA-N 2 2 316.489 3.617 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000502698721 340111137 /nfs/dbraw/zinc/11/11/37/340111137.db2.gz GRWAMZZIQPPPSJ-LEAZDLGRSA-N 2 2 316.489 3.617 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000503073003 340120250 /nfs/dbraw/zinc/12/02/50/340120250.db2.gz FRCMUASFKHNQSL-SFHVURJKSA-N 2 2 310.441 3.789 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000503073003 340120251 /nfs/dbraw/zinc/12/02/51/340120251.db2.gz FRCMUASFKHNQSL-SFHVURJKSA-N 2 2 310.441 3.789 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000503073003 340120252 /nfs/dbraw/zinc/12/02/52/340120252.db2.gz FRCMUASFKHNQSL-SFHVURJKSA-N 2 2 310.441 3.789 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000503073003 340120253 /nfs/dbraw/zinc/12/02/53/340120253.db2.gz FRCMUASFKHNQSL-SFHVURJKSA-N 2 2 310.441 3.789 20 0 DHADLP FC(F)(F)c1ccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCCC2)cc1 ZINC000503949011 340138247 /nfs/dbraw/zinc/13/82/47/340138247.db2.gz DIGJRLCEUAFWQE-UHFFFAOYSA-N 2 2 309.335 3.988 20 0 DHADLP CC(C)CCn1cccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000506370227 340193379 /nfs/dbraw/zinc/19/33/79/340193379.db2.gz NUBWOOPSFAAAFA-UHFFFAOYSA-N 2 2 317.521 3.985 20 0 DHADLP CCC[N@H+](C)[C@@H](C[NH2+][C@@H](C)CCOC)c1ccc(Cl)cc1 ZINC000506609177 340197521 /nfs/dbraw/zinc/19/75/21/340197521.db2.gz BSSWUKYIUAPMSC-YOEHRIQHSA-N 2 2 312.885 3.738 20 0 DHADLP CCC[N@@H+](C)[C@@H](C[NH2+][C@@H](C)CCOC)c1ccc(Cl)cc1 ZINC000506609177 340197522 /nfs/dbraw/zinc/19/75/22/340197522.db2.gz BSSWUKYIUAPMSC-YOEHRIQHSA-N 2 2 312.885 3.738 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507491723 340222682 /nfs/dbraw/zinc/22/26/82/340222682.db2.gz CSJRGOZWRDJYLF-HIFRSBDPSA-N 2 2 306.416 3.962 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000507522851 340224341 /nfs/dbraw/zinc/22/43/41/340224341.db2.gz HSQULVMRXWZXKJ-KGLIPLIRSA-N 2 2 306.416 3.819 20 0 DHADLP C/C(=C/c1ccccc1)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000508620224 340248354 /nfs/dbraw/zinc/24/83/54/340248354.db2.gz IGFQHUSWCVVOGN-LYDJUCFBSA-N 2 2 309.457 3.778 20 0 DHADLP C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000508620224 340248355 /nfs/dbraw/zinc/24/83/55/340248355.db2.gz IGFQHUSWCVVOGN-LYDJUCFBSA-N 2 2 309.457 3.778 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000509578531 340274130 /nfs/dbraw/zinc/27/41/30/340274130.db2.gz HWZZPJIEEBDISV-UTKZUKDTSA-N 2 2 324.468 3.750 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H](C)Cc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000510330883 340296158 /nfs/dbraw/zinc/29/61/58/340296158.db2.gz HZHWXEJLALEUMM-JXFKEZNVSA-N 2 2 312.457 3.524 20 0 DHADLP C([NH2+][C@@H]1CC[C@@H]1C1CCC1)C1([NH+]2CCSCC2)CCCC1 ZINC000510723517 340308263 /nfs/dbraw/zinc/30/82/63/340308263.db2.gz RLJNTZVYXLQRKP-IAGOWNOFSA-N 2 2 308.535 3.516 20 0 DHADLP Fc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303183366 340310708 /nfs/dbraw/zinc/31/07/08/340310708.db2.gz KRUDRZZWXFQNFS-QGZVFWFLSA-N 2 2 304.453 3.914 20 0 DHADLP Fc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303183366 340310709 /nfs/dbraw/zinc/31/07/09/340310709.db2.gz KRUDRZZWXFQNFS-QGZVFWFLSA-N 2 2 304.453 3.914 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]CC2CCC(C(C)C)CC2)CC1 ZINC000512025359 340345804 /nfs/dbraw/zinc/34/58/04/340345804.db2.gz QCHNPWLOCZPWPZ-UHFFFAOYSA-N 2 2 324.553 3.928 20 0 DHADLP COc1ccsc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512194956 340351787 /nfs/dbraw/zinc/35/17/87/340351787.db2.gz MKQJQIOPQOCDND-HZPDHXFCSA-N 2 2 322.518 3.843 20 0 DHADLP COc1ccsc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512194956 340351788 /nfs/dbraw/zinc/35/17/88/340351788.db2.gz MKQJQIOPQOCDND-HZPDHXFCSA-N 2 2 322.518 3.843 20 0 DHADLP COc1ccsc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512194956 340351789 /nfs/dbraw/zinc/35/17/89/340351789.db2.gz MKQJQIOPQOCDND-HZPDHXFCSA-N 2 2 322.518 3.843 20 0 DHADLP COc1ccsc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000512194956 340351790 /nfs/dbraw/zinc/35/17/90/340351790.db2.gz MKQJQIOPQOCDND-HZPDHXFCSA-N 2 2 322.518 3.843 20 0 DHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000173312512 340362112 /nfs/dbraw/zinc/36/21/12/340362112.db2.gz NBLPYUOXGQIWBK-QGZVFWFLSA-N 2 2 305.425 3.825 20 0 DHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000173312497 340362129 /nfs/dbraw/zinc/36/21/29/340362129.db2.gz NBLPYUOXGQIWBK-KRWDZBQOSA-N 2 2 305.425 3.825 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)c(F)c1 ZINC000173379384 340363772 /nfs/dbraw/zinc/36/37/72/340363772.db2.gz MVVJCRLBCPYSQO-ZDUSSCGKSA-N 2 2 305.372 3.903 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000512577084 340367649 /nfs/dbraw/zinc/36/76/49/340367649.db2.gz HBNFVXHTVMGJDZ-BMGDILEWSA-N 2 2 324.896 3.880 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000512577084 340367650 /nfs/dbraw/zinc/36/76/50/340367650.db2.gz HBNFVXHTVMGJDZ-BMGDILEWSA-N 2 2 324.896 3.880 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)(F)F)cc1 ZINC000530222784 340783174 /nfs/dbraw/zinc/78/31/74/340783174.db2.gz RQGFXSZBUZFHEM-RISCZKNCSA-N 2 2 314.351 3.520 20 0 DHADLP CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000539213924 340876346 /nfs/dbraw/zinc/87/63/46/340876346.db2.gz SEMPTIGUHZDLKZ-CRAIPNDOSA-N 2 2 324.896 3.595 20 0 DHADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000539854984 340906731 /nfs/dbraw/zinc/90/67/31/340906731.db2.gz MDMRAVKGVYWJJW-LZLYRXPVSA-N 2 2 301.478 3.855 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC000129548991 340970799 /nfs/dbraw/zinc/97/07/99/340970799.db2.gz CUTOHSLTNFOAKI-QLFBSQMISA-N 2 2 306.416 3.818 20 0 DHADLP Clc1cccc2c1CCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000541737113 340981668 /nfs/dbraw/zinc/98/16/68/340981668.db2.gz RDOOJEUCNNAXKU-QGZVFWFLSA-N 2 2 303.837 3.984 20 0 DHADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@@H]1CCCO1 ZINC000542477053 341009138 /nfs/dbraw/zinc/00/91/38/341009138.db2.gz BTPCWUYQDSHUSA-SXLOBPIMSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)([C@@H]([NH2+]CC1CC1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543446627 341045059 /nfs/dbraw/zinc/04/50/59/341045059.db2.gz ODWALXWWKOMBJF-KRWDZBQOSA-N 2 2 308.416 3.880 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)CCC2 ZINC000130875262 341051273 /nfs/dbraw/zinc/05/12/73/341051273.db2.gz NQJTZJPNCIMEFR-IBGZPJMESA-N 2 2 302.437 3.763 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCCCCC1 ZINC000544365719 341078217 /nfs/dbraw/zinc/07/82/17/341078217.db2.gz RRIWVFFGYVLIQT-QGZVFWFLSA-N 2 2 315.505 3.995 20 0 DHADLP Fc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000544367461 341078489 /nfs/dbraw/zinc/07/84/89/341078489.db2.gz CUJLOYHQRKFIRR-LJQANCHMSA-N 2 2 324.403 3.577 20 0 DHADLP Clc1cccc2c1CC[C@H]2[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000132434746 341123025 /nfs/dbraw/zinc/12/30/25/341123025.db2.gz PADFLMIQLXVANM-GOSISDBHSA-N 2 2 304.865 3.888 20 0 DHADLP FC(F)Oc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835846 341185333 /nfs/dbraw/zinc/18/53/33/341185333.db2.gz FVUCKXITUQUHRN-OAHLLOKOSA-N 2 2 324.415 3.596 20 0 DHADLP FC(F)Oc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835846 341185334 /nfs/dbraw/zinc/18/53/34/341185334.db2.gz FVUCKXITUQUHRN-OAHLLOKOSA-N 2 2 324.415 3.596 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000076000810 341195361 /nfs/dbraw/zinc/19/53/61/341195361.db2.gz AFXNABMIKKIILE-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000076000810 341195362 /nfs/dbraw/zinc/19/53/62/341195362.db2.gz AFXNABMIKKIILE-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CC1=CC[N@H+](CC[NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000547281061 341203525 /nfs/dbraw/zinc/20/35/25/341203525.db2.gz MSJOGQXEGAUCGA-CQSZACIVSA-N 2 2 310.388 3.591 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000547281061 341203526 /nfs/dbraw/zinc/20/35/26/341203526.db2.gz MSJOGQXEGAUCGA-CQSZACIVSA-N 2 2 310.388 3.591 20 0 DHADLP C[C@H]1CC[N@H+](CCSc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000136082548 341252577 /nfs/dbraw/zinc/25/25/77/341252577.db2.gz IUFWFBBUAGPLEW-HOCLYGCPSA-N 2 2 319.449 3.697 20 0 DHADLP C[C@H]1CC[N@@H+](CCSc2ccccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000136082548 341252578 /nfs/dbraw/zinc/25/25/78/341252578.db2.gz IUFWFBBUAGPLEW-HOCLYGCPSA-N 2 2 319.449 3.697 20 0 DHADLP CCCCOc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000136159932 341254151 /nfs/dbraw/zinc/25/41/51/341254151.db2.gz QUPBKDHPDMULMZ-QGZVFWFLSA-N 2 2 304.478 3.639 20 0 DHADLP CCCCOc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000136159932 341254152 /nfs/dbraw/zinc/25/41/52/341254152.db2.gz QUPBKDHPDMULMZ-QGZVFWFLSA-N 2 2 304.478 3.639 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000136159932 341254153 /nfs/dbraw/zinc/25/41/53/341254153.db2.gz QUPBKDHPDMULMZ-QGZVFWFLSA-N 2 2 304.478 3.639 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000136159932 341254154 /nfs/dbraw/zinc/25/41/54/341254154.db2.gz QUPBKDHPDMULMZ-QGZVFWFLSA-N 2 2 304.478 3.639 20 0 DHADLP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136882615 341268668 /nfs/dbraw/zinc/26/86/68/341268668.db2.gz KOLIIMCPWPVRNA-HNNXBMFYSA-N 2 2 317.864 3.837 20 0 DHADLP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136882615 341268669 /nfs/dbraw/zinc/26/86/69/341268669.db2.gz KOLIIMCPWPVRNA-HNNXBMFYSA-N 2 2 317.864 3.837 20 0 DHADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1([NH+]2CCSCC2)CCCCC1 ZINC000549033863 341284042 /nfs/dbraw/zinc/28/40/42/341284042.db2.gz DKPUTUKKMXZLOB-GVDBMIGSSA-N 2 2 308.535 3.516 20 0 DHADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000550275047 341314128 /nfs/dbraw/zinc/31/41/28/341314128.db2.gz OKTNYHNWNZSYTQ-WYURAEBNSA-N 2 2 313.272 3.637 20 0 DHADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000550275047 341314129 /nfs/dbraw/zinc/31/41/29/341314129.db2.gz OKTNYHNWNZSYTQ-WYURAEBNSA-N 2 2 313.272 3.637 20 0 DHADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000246117021 341327397 /nfs/dbraw/zinc/32/73/97/341327397.db2.gz KBYLXZRJIWXBJU-YLJYHZDGSA-N 2 2 324.468 3.765 20 0 DHADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000246117021 341327398 /nfs/dbraw/zinc/32/73/98/341327398.db2.gz KBYLXZRJIWXBJU-YLJYHZDGSA-N 2 2 324.468 3.765 20 0 DHADLP COc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246117021 341327399 /nfs/dbraw/zinc/32/73/99/341327399.db2.gz KBYLXZRJIWXBJU-YLJYHZDGSA-N 2 2 324.468 3.765 20 0 DHADLP COc1ccc2ccccc2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246117021 341327400 /nfs/dbraw/zinc/32/74/00/341327400.db2.gz KBYLXZRJIWXBJU-YLJYHZDGSA-N 2 2 324.468 3.765 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCOC2(C)C)CCCC1)c1ccccc1 ZINC000551051177 341330288 /nfs/dbraw/zinc/33/02/88/341330288.db2.gz OLPLLOSYPBLUGR-AEFFLSMTSA-N 2 2 316.489 3.807 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000551228576 341334575 /nfs/dbraw/zinc/33/45/75/341334575.db2.gz JYXYKRWCCRVMMD-FUHWJXTLSA-N 2 2 317.521 3.954 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000551228576 341334576 /nfs/dbraw/zinc/33/45/76/341334576.db2.gz JYXYKRWCCRVMMD-FUHWJXTLSA-N 2 2 317.521 3.954 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551263822 341335983 /nfs/dbraw/zinc/33/59/83/341335983.db2.gz UHUFCBYOHBZLPA-CXAGYDPISA-N 2 2 300.471 3.516 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551263822 341335984 /nfs/dbraw/zinc/33/59/84/341335984.db2.gz UHUFCBYOHBZLPA-CXAGYDPISA-N 2 2 300.471 3.516 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000551517144 341343459 /nfs/dbraw/zinc/34/34/59/341343459.db2.gz GOYOFMLKGVDNOC-RDJZCZTQSA-N 2 2 313.445 3.728 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000551539590 341344783 /nfs/dbraw/zinc/34/47/83/341344783.db2.gz AVKNAEFOYFRLKX-HOTGVXAUSA-N 2 2 301.434 3.801 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000551537559 341344838 /nfs/dbraw/zinc/34/48/38/341344838.db2.gz URMLNCKEUVAWPI-MCYKXBRJSA-N 2 2 318.505 3.753 20 0 DHADLP Cc1ccccc1C[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000551791062 341351826 /nfs/dbraw/zinc/35/18/26/341351826.db2.gz MHGBRWLITUXZBF-LJQANCHMSA-N 2 2 309.457 3.803 20 0 DHADLP CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246970932 341359303 /nfs/dbraw/zinc/35/93/03/341359303.db2.gz JKBXTHDLZAIYCP-HZPDHXFCSA-N 2 2 314.477 3.562 20 0 DHADLP CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246970932 341359304 /nfs/dbraw/zinc/35/93/04/341359304.db2.gz JKBXTHDLZAIYCP-HZPDHXFCSA-N 2 2 314.477 3.562 20 0 DHADLP CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246970932 341359305 /nfs/dbraw/zinc/35/93/05/341359305.db2.gz JKBXTHDLZAIYCP-HZPDHXFCSA-N 2 2 314.477 3.562 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(-c3ccoc3)n2)[C@@H](C)C1 ZINC000247261413 341362901 /nfs/dbraw/zinc/36/29/01/341362901.db2.gz VKBOCVGUTQTNHP-XJKSGUPXSA-N 2 2 319.474 3.565 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(-c3ccoc3)n2)[C@@H](C)C1 ZINC000247261413 341362902 /nfs/dbraw/zinc/36/29/02/341362902.db2.gz VKBOCVGUTQTNHP-XJKSGUPXSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(-c3ccoc3)n2)[C@@H](C)C1 ZINC000247261413 341362903 /nfs/dbraw/zinc/36/29/03/341362903.db2.gz VKBOCVGUTQTNHP-XJKSGUPXSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(-c3ccoc3)n2)[C@@H](C)C1 ZINC000247261413 341362904 /nfs/dbraw/zinc/36/29/04/341362904.db2.gz VKBOCVGUTQTNHP-XJKSGUPXSA-N 2 2 319.474 3.565 20 0 DHADLP C[NH+](C)CC1(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCCC1 ZINC000552067992 341367086 /nfs/dbraw/zinc/36/70/86/341367086.db2.gz DFKILUVOZZVFCB-QGZVFWFLSA-N 2 2 318.509 3.743 20 0 DHADLP C[C@H]1CC[N@H+](CCSCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248720130 341385257 /nfs/dbraw/zinc/38/52/57/341385257.db2.gz GKTVIPPOPIDUPC-FUHWJXTLSA-N 2 2 315.486 3.699 20 0 DHADLP C[C@H]1CC[N@@H+](CCSCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248720130 341385258 /nfs/dbraw/zinc/38/52/58/341385258.db2.gz GKTVIPPOPIDUPC-FUHWJXTLSA-N 2 2 315.486 3.699 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(Cl)cc1 ZINC000552323239 341386454 /nfs/dbraw/zinc/38/64/54/341386454.db2.gz AZPWTKSKBPTVIH-BMGDILEWSA-N 2 2 324.896 3.738 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(Cl)cc1 ZINC000552323239 341386455 /nfs/dbraw/zinc/38/64/55/341386455.db2.gz AZPWTKSKBPTVIH-BMGDILEWSA-N 2 2 324.896 3.738 20 0 DHADLP Fc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000091261935 341423769 /nfs/dbraw/zinc/42/37/69/341423769.db2.gz APPZHDROKAMZDL-SFHVURJKSA-N 2 2 301.409 3.933 20 0 DHADLP CC(C)Cc1ccc([C@@H](C[NH2+][C@@H]2CCSC2)[NH+](C)C)cc1 ZINC000554140729 341445502 /nfs/dbraw/zinc/44/55/02/341445502.db2.gz JEPQHXJHZOLSGF-QZTJIDSGSA-N 2 2 306.519 3.583 20 0 DHADLP COc1ccc([C@H](C[NH2+][C@H]2CC=C(C)CC2)[NH+]2CCCC2)cc1 ZINC000572587803 341634898 /nfs/dbraw/zinc/63/48/98/341634898.db2.gz QGRGJHJZXGAJFL-ICSRJNTNSA-N 2 2 314.473 3.921 20 0 DHADLP COC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(Cl)c1 ZINC000572768405 341703480 /nfs/dbraw/zinc/70/34/80/341703480.db2.gz JDHSEBZIOYYSLL-SFHVURJKSA-N 2 2 324.896 3.739 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1OC ZINC000577726217 341932025 /nfs/dbraw/zinc/93/20/25/341932025.db2.gz RKOJIKGIYAPGIK-HNNXBMFYSA-N 2 2 314.429 3.691 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000583961901 518149931 /nfs/dbraw/zinc/14/99/31/518149931.db2.gz WITFCONEOSPAOW-QGZVFWFLSA-N 2 2 312.457 3.942 20 0 DHADLP Brc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265555142 518224604 /nfs/dbraw/zinc/22/46/04/518224604.db2.gz ZIHBPHVKJKCUPT-UHFFFAOYSA-N 2 2 320.234 3.552 20 0 DHADLP CC(C)(C)OC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000162482027 518867868 /nfs/dbraw/zinc/86/78/68/518867868.db2.gz TZEHEBLXNKKODN-UHFFFAOYSA-N 2 2 313.445 3.652 20 0 DHADLP CC(C)n1cc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000162763769 519978413 /nfs/dbraw/zinc/97/84/13/519978413.db2.gz WLENVAQZQHKYLS-KRWDZBQOSA-N 2 2 314.477 3.637 20 0 DHADLP CC(C)n1cc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000162763769 519978424 /nfs/dbraw/zinc/97/84/24/519978424.db2.gz WLENVAQZQHKYLS-KRWDZBQOSA-N 2 2 314.477 3.637 20 0 DHADLP CCC[C@@H](C)[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162260474 520671653 /nfs/dbraw/zinc/67/16/53/520671653.db2.gz VVYHLZKZXKJUTJ-APWZRJJASA-N 2 2 303.494 3.850 20 0 DHADLP COCC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000338009371 521862082 /nfs/dbraw/zinc/86/20/82/521862082.db2.gz QLALOCGQGVMWHH-CRAIPNDOSA-N 2 2 315.461 3.974 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CCO[C@@H](C)C3)ccc2n1C1CC1 ZINC000338463570 522487968 /nfs/dbraw/zinc/48/79/68/522487968.db2.gz YFJXGMRFDXTKCB-ZFWWWQNUSA-N 2 2 313.445 3.591 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1cccc(F)c1 ZINC000364154488 522616344 /nfs/dbraw/zinc/61/63/44/522616344.db2.gz FBTOLKKLSVRPOE-RDJZCZTQSA-N 2 2 301.409 3.949 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccs1 ZINC000156377556 522812672 /nfs/dbraw/zinc/81/26/72/522812672.db2.gz LOTABXCGVOTTMA-QGZVFWFLSA-N 2 2 315.486 3.848 20 0 DHADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000159222063 523296495 /nfs/dbraw/zinc/29/64/95/523296495.db2.gz QFOCYHQVDSQXLT-OAHLLOKOSA-N 2 2 316.445 3.584 20 0 DHADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000337357382 523835260 /nfs/dbraw/zinc/83/52/60/523835260.db2.gz BCRNLRINGONGGZ-HNAYVOBHSA-N 2 2 313.445 3.537 20 0 DHADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000337357382 523835268 /nfs/dbraw/zinc/83/52/68/523835268.db2.gz BCRNLRINGONGGZ-HNAYVOBHSA-N 2 2 313.445 3.537 20 0 DHADLP CCc1cc(OC)ccc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000337327322 523839505 /nfs/dbraw/zinc/83/95/05/523839505.db2.gz DDBYMISQFDPZEW-UHFFFAOYSA-N 2 2 321.424 3.733 20 0 DHADLP C[C@H](CC[NH2+][C@H](C)c1cncs1)[N@H+](C)Cc1ccccc1 ZINC000156206053 524196878 /nfs/dbraw/zinc/19/68/78/524196878.db2.gz FSNLRYSMRPRYNG-HUUCEWRRSA-N 2 2 303.475 3.704 20 0 DHADLP C[C@H](CC[NH2+][C@H](C)c1cncs1)[N@@H+](C)Cc1ccccc1 ZINC000156206053 524196883 /nfs/dbraw/zinc/19/68/83/524196883.db2.gz FSNLRYSMRPRYNG-HUUCEWRRSA-N 2 2 303.475 3.704 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000180402791 524254773 /nfs/dbraw/zinc/25/47/73/524254773.db2.gz NXCXKGMFQPFHRP-ZDUSSCGKSA-N 2 2 310.869 3.872 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000337346885 524503180 /nfs/dbraw/zinc/50/31/80/524503180.db2.gz WWRKNBLLPMLUIQ-XSYGEPLQSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000337346885 524503184 /nfs/dbraw/zinc/50/31/84/524503184.db2.gz WWRKNBLLPMLUIQ-XSYGEPLQSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000365127001 524737928 /nfs/dbraw/zinc/73/79/28/524737928.db2.gz UUQNUJDDXRAEKM-ICSRJNTNSA-N 2 2 323.484 3.687 20 0 DHADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000365127001 524737941 /nfs/dbraw/zinc/73/79/41/524737941.db2.gz UUQNUJDDXRAEKM-ICSRJNTNSA-N 2 2 323.484 3.687 20 0 DHADLP C[C@@H](CSC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162245084 524838377 /nfs/dbraw/zinc/83/83/77/524838377.db2.gz OIZCGGSNWASXLU-HNNXBMFYSA-N 2 2 321.534 3.556 20 0 DHADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000130639454 525167942 /nfs/dbraw/zinc/16/79/42/525167942.db2.gz GHARVHFPAYUFPV-JKSUJKDBSA-N 2 2 323.440 3.667 20 0 DHADLP Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c(C)[nH+]1 ZINC000130789392 525244453 /nfs/dbraw/zinc/24/44/53/525244453.db2.gz KLNQULKQTJPNTJ-UHFFFAOYSA-N 2 2 309.413 3.547 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccsc2S1 ZINC000336826521 525435768 /nfs/dbraw/zinc/43/57/68/525435768.db2.gz QLDWCVMIKDKDCF-ABAIWWIYSA-N 2 2 308.516 3.890 20 0 DHADLP CSCCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000132476632 525477286 /nfs/dbraw/zinc/47/72/86/525477286.db2.gz NRVFSHFCLYFOQU-UHFFFAOYSA-N 2 2 312.910 3.647 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1Br ZINC000129437447 525568819 /nfs/dbraw/zinc/56/88/19/525568819.db2.gz MBLOVHQFSMSVGI-RWMBFGLXSA-N 2 2 311.267 3.582 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Br ZINC000129437447 525568826 /nfs/dbraw/zinc/56/88/26/525568826.db2.gz MBLOVHQFSMSVGI-RWMBFGLXSA-N 2 2 311.267 3.582 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccs1 ZINC000154507248 525618165 /nfs/dbraw/zinc/61/81/65/525618165.db2.gz WHEIIJFJVITWBT-VYDXJSESSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccs1 ZINC000154507248 525618172 /nfs/dbraw/zinc/61/81/72/525618172.db2.gz WHEIIJFJVITWBT-VYDXJSESSA-N 2 2 315.486 3.704 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(C)cc(Cl)c1)CCC2 ZINC000339285257 525939339 /nfs/dbraw/zinc/93/93/39/525939339.db2.gz HHTCGMAHDJOODN-HNNXBMFYSA-N 2 2 303.837 3.821 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337989850 526161363 /nfs/dbraw/zinc/16/13/63/526161363.db2.gz RDLOPOWFQLXFGI-UIAACRFSSA-N 2 2 313.489 3.775 20 0 DHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124257705 526178253 /nfs/dbraw/zinc/17/82/53/526178253.db2.gz WVJKTRGEPTUYED-HNNXBMFYSA-N 2 2 310.401 3.621 20 0 DHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124257705 526178263 /nfs/dbraw/zinc/17/82/63/526178263.db2.gz WVJKTRGEPTUYED-HNNXBMFYSA-N 2 2 310.401 3.621 20 0 DHADLP Cc1ccc2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)ccc2n1 ZINC000364858323 526229456 /nfs/dbraw/zinc/22/94/56/526229456.db2.gz ZYSDAQFRZTWNKB-UHFFFAOYSA-N 2 2 306.413 3.646 20 0 DHADLP Fc1cc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)ccc1-n1cc[nH+]c1 ZINC000339512153 526298937 /nfs/dbraw/zinc/29/89/37/526298937.db2.gz KTDCIVMVJKPGAE-MSOLQXFVSA-N 2 2 321.399 3.905 20 0 DHADLP Fc1cccc(Cl)c1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266797451 526389517 /nfs/dbraw/zinc/38/95/17/526389517.db2.gz YMNRHCDMCQQQQI-UHFFFAOYSA-N 2 2 307.800 3.624 20 0 DHADLP c1ccc(C2([NH2+]C3CC[NH+](Cc4ccccn4)CC3)CCC2)cc1 ZINC000180350570 526461896 /nfs/dbraw/zinc/46/18/96/526461896.db2.gz IISARJUKNYDIEU-UHFFFAOYSA-N 2 2 321.468 3.715 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](Cc4ccccn4)CC[C@@H]32)cc1 ZINC000159053821 526467769 /nfs/dbraw/zinc/46/77/69/526467769.db2.gz PWXMMDJRYSRONX-CTNGQTDRSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](Cc4ccccn4)CC[C@@H]32)cc1 ZINC000159053821 526467771 /nfs/dbraw/zinc/46/77/71/526467771.db2.gz PWXMMDJRYSRONX-CTNGQTDRSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](Cc4ccccn4)CC[C@@H]32)cc1 ZINC000159053821 526467778 /nfs/dbraw/zinc/46/77/78/526467778.db2.gz PWXMMDJRYSRONX-CTNGQTDRSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](Cc4ccccn4)CC[C@@H]32)cc1 ZINC000159053821 526467785 /nfs/dbraw/zinc/46/77/85/526467785.db2.gz PWXMMDJRYSRONX-CTNGQTDRSA-N 2 2 321.468 3.568 20 0 DHADLP c1cn(-c2ncccc2C[NH2+][C@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000180010377 526527101 /nfs/dbraw/zinc/52/71/01/526527101.db2.gz QFXFQQUEPVNQRL-GOSISDBHSA-N 2 2 304.397 3.508 20 0 DHADLP c1cn(-c2ncccc2C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000130457398 526528816 /nfs/dbraw/zinc/52/88/16/526528816.db2.gz AMEGSOHRRYOODE-HKUYNNGSSA-N 2 2 318.424 3.693 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000040592095 536465845 /nfs/dbraw/zinc/46/58/45/536465845.db2.gz WIARFMQZKJOJBD-NWDGAFQWSA-N 2 2 301.261 3.986 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000040592095 536465846 /nfs/dbraw/zinc/46/58/46/536465846.db2.gz WIARFMQZKJOJBD-NWDGAFQWSA-N 2 2 301.261 3.986 20 0 DHADLP Cn1c(CCC[NH2+]Cc2cc(F)cc(F)c2)[nH+]c2ccccc21 ZINC000162806681 527048237 /nfs/dbraw/zinc/04/82/37/527048237.db2.gz CAZNNMARIWSMAM-UHFFFAOYSA-N 2 2 315.367 3.574 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(C)c2)cn1 ZINC000126491946 527373288 /nfs/dbraw/zinc/37/32/88/527373288.db2.gz OZHWDSFRCGMFNY-OAHLLOKOSA-N 2 2 306.413 3.735 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000159222404 527410934 /nfs/dbraw/zinc/41/09/34/527410934.db2.gz IRXJWPZCPCRMPL-CYBMUJFWSA-N 2 2 304.438 3.560 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000159222404 527410940 /nfs/dbraw/zinc/41/09/40/527410940.db2.gz IRXJWPZCPCRMPL-CYBMUJFWSA-N 2 2 304.438 3.560 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000361689501 1032058149 /nfs/dbraw/zinc/05/81/49/1032058149.db2.gz MNDQIDLWVQJNLF-UHFFFAOYSA-N 2 2 309.388 3.952 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000361689501 1032058161 /nfs/dbraw/zinc/05/81/61/1032058161.db2.gz MNDQIDLWVQJNLF-UHFFFAOYSA-N 2 2 309.388 3.952 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)CC[N@@H+]1C ZINC000180437772 1013088699 /nfs/dbraw/zinc/08/86/99/1013088699.db2.gz UCTWOFIIRDMIPA-JKSUJKDBSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)CC[N@H+]1C ZINC000180437772 1013088718 /nfs/dbraw/zinc/08/87/18/1013088718.db2.gz UCTWOFIIRDMIPA-JKSUJKDBSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)CC[NH+]1C ZINC000180437772 1013088742 /nfs/dbraw/zinc/08/87/42/1013088742.db2.gz UCTWOFIIRDMIPA-JKSUJKDBSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)CC[NH+]1C ZINC000180437772 1013088760 /nfs/dbraw/zinc/08/87/60/1013088760.db2.gz UCTWOFIIRDMIPA-JKSUJKDBSA-N 2 2 314.429 3.986 20 0 DHADLP CCC(CC)[N@H+](CCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209210069 1013096966 /nfs/dbraw/zinc/09/69/66/1013096966.db2.gz PGOHKTRYTPSTRW-UHFFFAOYSA-N 2 2 318.505 3.788 20 0 DHADLP CCC(CC)[N@@H+](CCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209210069 1013096973 /nfs/dbraw/zinc/09/69/73/1013096973.db2.gz PGOHKTRYTPSTRW-UHFFFAOYSA-N 2 2 318.505 3.788 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001203388428 1013329736 /nfs/dbraw/zinc/32/97/36/1013329736.db2.gz UWFIMXFYOBIXRL-HNNXBMFYSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001203388428 1013329749 /nfs/dbraw/zinc/32/97/49/1013329749.db2.gz UWFIMXFYOBIXRL-HNNXBMFYSA-N 2 2 302.805 3.697 20 0 DHADLP CC[NH+]1CCC([NH2+]C(c2cccs2)c2cccs2)CC1 ZINC000038098176 1013341791 /nfs/dbraw/zinc/34/17/91/1013341791.db2.gz HJEOODFTULMPRM-UHFFFAOYSA-N 2 2 306.500 3.973 20 0 DHADLP CC(C)CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000236785073 1013436263 /nfs/dbraw/zinc/43/62/63/1013436263.db2.gz NUFYROAZASJHPP-KRWDZBQOSA-N 2 2 315.461 3.734 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000319978677 1013500839 /nfs/dbraw/zinc/50/08/39/1013500839.db2.gz XCQRXXDCHYQQIC-CJNGLKHVSA-N 2 2 316.405 3.557 20 0 DHADLP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000121258124 1013510198 /nfs/dbraw/zinc/51/01/98/1013510198.db2.gz JTGJEKQAQJAFCW-KRWDZBQOSA-N 2 2 317.383 3.829 20 0 DHADLP CC(C)(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655688307 1013640260 /nfs/dbraw/zinc/64/02/60/1013640260.db2.gz WQNRLBAEEGOBOK-MOPGFXCFSA-N 2 2 316.489 3.617 20 0 DHADLP CCCc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655703589 1013654608 /nfs/dbraw/zinc/65/46/08/1013654608.db2.gz IRAQDGVYPGUOFE-UZLBHIALSA-N 2 2 316.489 3.543 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000441357402 1013719402 /nfs/dbraw/zinc/71/94/02/1013719402.db2.gz SSHFXNFFDNENSB-RTBURBONSA-N 2 2 322.537 3.828 20 0 DHADLP Clc1sccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000312556282 1013749730 /nfs/dbraw/zinc/74/97/30/1013749730.db2.gz LUOXYNUUDPHKRK-UHFFFAOYSA-N 2 2 307.850 3.555 20 0 DHADLP Fc1cccc(C2CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000655849144 1013778567 /nfs/dbraw/zinc/77/85/67/1013778567.db2.gz PKSXYKXRJZQCSY-AWRGBYNESA-N 2 2 302.437 3.678 20 0 DHADLP Fc1cccc(C2CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000655849144 1013778572 /nfs/dbraw/zinc/77/85/72/1013778572.db2.gz PKSXYKXRJZQCSY-AWRGBYNESA-N 2 2 302.437 3.678 20 0 DHADLP CCc1noc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000340438634 1013789516 /nfs/dbraw/zinc/78/95/16/1013789516.db2.gz DDWGPVGRAOOCAL-IFXJQAMLSA-N 2 2 319.493 3.678 20 0 DHADLP CN(c1ccc([NH2+]C[C@@H]2CC=CCC2)cc1)C1CC[NH+](C)CC1 ZINC000237162579 1013791532 /nfs/dbraw/zinc/79/15/32/1013791532.db2.gz QYMACZYRFSKXQN-QGZVFWFLSA-N 2 2 313.489 3.985 20 0 DHADLP CCc1noc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000340441395 1013796134 /nfs/dbraw/zinc/79/61/34/1013796134.db2.gz WLHGNNPBKMRMSX-PBHICJAKSA-N 2 2 319.493 3.678 20 0 DHADLP COc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c1 ZINC000374401058 1013862957 /nfs/dbraw/zinc/86/29/57/1013862957.db2.gz BPDRIPATKFRSJT-QGZVFWFLSA-N 2 2 313.445 3.852 20 0 DHADLP COc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c1 ZINC000374401058 1013862965 /nfs/dbraw/zinc/86/29/65/1013862965.db2.gz BPDRIPATKFRSJT-QGZVFWFLSA-N 2 2 313.445 3.852 20 0 DHADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683694982 1013868205 /nfs/dbraw/zinc/86/82/05/1013868205.db2.gz WBJXYPNOVDFIDW-KXBFYZLASA-N 2 2 304.453 3.753 20 0 DHADLP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683694982 1013868244 /nfs/dbraw/zinc/86/82/44/1013868244.db2.gz WBJXYPNOVDFIDW-KXBFYZLASA-N 2 2 304.453 3.753 20 0 DHADLP C[C@@H]([NH2+][C@H](C)c1ccncc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000340487661 1013876893 /nfs/dbraw/zinc/87/68/93/1013876893.db2.gz LJLPOWISSKDBFH-ZIAGYGMSSA-N 2 2 310.376 3.818 20 0 DHADLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1SC ZINC000623727599 1014134410 /nfs/dbraw/zinc/13/44/10/1014134410.db2.gz FPTRAZXQOOOPCP-INIZCTEOSA-N 2 2 320.502 3.524 20 0 DHADLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1SC ZINC000623727599 1014134419 /nfs/dbraw/zinc/13/44/19/1014134419.db2.gz FPTRAZXQOOOPCP-INIZCTEOSA-N 2 2 320.502 3.524 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683940104 1014137756 /nfs/dbraw/zinc/13/77/56/1014137756.db2.gz DNDGSMMHOWPVBL-CYUUQNCZSA-N 2 2 324.921 3.967 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683940104 1014137760 /nfs/dbraw/zinc/13/77/60/1014137760.db2.gz DNDGSMMHOWPVBL-CYUUQNCZSA-N 2 2 324.921 3.967 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000262010508 1014267476 /nfs/dbraw/zinc/26/74/76/1014267476.db2.gz WHBMAOGUNGLBPM-OAHLLOKOSA-N 2 2 319.836 3.698 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000262010508 1014267485 /nfs/dbraw/zinc/26/74/85/1014267485.db2.gz WHBMAOGUNGLBPM-OAHLLOKOSA-N 2 2 319.836 3.698 20 0 DHADLP Fc1cccc2c1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168001993 1014308027 /nfs/dbraw/zinc/30/80/27/1014308027.db2.gz BKJLBFFFGSPFEL-JWTNVVGKSA-N 2 2 314.448 3.589 20 0 DHADLP Fc1cccc2c1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168001993 1014308033 /nfs/dbraw/zinc/30/80/33/1014308033.db2.gz BKJLBFFFGSPFEL-JWTNVVGKSA-N 2 2 314.448 3.589 20 0 DHADLP Fc1cccc2c1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168001993 1014308045 /nfs/dbraw/zinc/30/80/45/1014308045.db2.gz BKJLBFFFGSPFEL-JWTNVVGKSA-N 2 2 314.448 3.589 20 0 DHADLP Fc1cccc2c1CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168001993 1014308055 /nfs/dbraw/zinc/30/80/55/1014308055.db2.gz BKJLBFFFGSPFEL-JWTNVVGKSA-N 2 2 314.448 3.589 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncs2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005521 1014401686 /nfs/dbraw/zinc/40/16/86/1014401686.db2.gz JGCZFWIKQUSWOG-SCAQPMJSSA-N 2 2 315.486 3.674 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cncs2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005521 1014401696 /nfs/dbraw/zinc/40/16/96/1014401696.db2.gz JGCZFWIKQUSWOG-SCAQPMJSSA-N 2 2 315.486 3.674 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(F)cc2F)c2cccc[nH+]2)CC1 ZINC000895110890 1014436126 /nfs/dbraw/zinc/43/61/26/1014436126.db2.gz BRIHPYCIGUMKJB-WKILWMFISA-N 2 2 317.383 3.636 20 0 DHADLP CC(C)[C@@H]1C[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CS1 ZINC000895112122 1014441840 /nfs/dbraw/zinc/44/18/40/1014441840.db2.gz LYSBHLYIAUESIV-VQHPVUNQSA-N 2 2 319.518 3.688 20 0 DHADLP C[C@H](CCc1cccnc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895116786 1014449432 /nfs/dbraw/zinc/44/94/32/1014449432.db2.gz UALGDHUXXIMLKH-BHIYHBOVSA-N 2 2 324.472 3.574 20 0 DHADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427868427 1014544517 /nfs/dbraw/zinc/54/45/17/1014544517.db2.gz AMWXGSDLUYWKJE-UONOGXRCSA-N 2 2 301.459 3.661 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(-c2ccncc2)c1 ZINC000427874267 1014545585 /nfs/dbraw/zinc/54/55/85/1014545585.db2.gz MIRRIEXYQSWGGL-BEFAXECRSA-N 2 2 318.424 3.611 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)CC2 ZINC000427899828 1014546143 /nfs/dbraw/zinc/54/61/43/1014546143.db2.gz XJRVOSUDBLKFKP-KZNAEPCWSA-N 2 2 301.478 3.927 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2)o1 ZINC000427888186 1014548472 /nfs/dbraw/zinc/54/84/72/1014548472.db2.gz VZDPKTHXRTWNQC-GOEBONIOSA-N 2 2 307.397 3.809 20 0 DHADLP CCC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000665278038 1014653538 /nfs/dbraw/zinc/65/35/38/1014653538.db2.gz TWGVYAGEEONGAA-NRAUKZCXSA-N 2 2 312.379 3.888 20 0 DHADLP Clc1ccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)cc1Cl ZINC000665279165 1014657026 /nfs/dbraw/zinc/65/70/26/1014657026.db2.gz YFQVBPXRCAOTSS-NWWFGRIYSA-N 2 2 311.256 3.786 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000569338866 1014673079 /nfs/dbraw/zinc/67/30/79/1014673079.db2.gz UNGDNWIDXQWELC-YJBOKZPZSA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000569338866 1014673080 /nfs/dbraw/zinc/67/30/80/1014673080.db2.gz UNGDNWIDXQWELC-YJBOKZPZSA-N 2 2 302.462 3.537 20 0 DHADLP c1ccc(NCCCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[nH+]c1 ZINC000442796113 1014736885 /nfs/dbraw/zinc/73/68/85/1014736885.db2.gz SRDRQNCRJVYZNV-HNNXBMFYSA-N 2 2 320.440 3.512 20 0 DHADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000665295313 1014744068 /nfs/dbraw/zinc/74/40/68/1014744068.db2.gz BTRZIYAQFRYOBA-RISCZKNCSA-N 2 2 319.449 3.524 20 0 DHADLP C[C@@H](CC1CCOCC1)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442874692 1014755400 /nfs/dbraw/zinc/75/54/00/1014755400.db2.gz NLANXLLCASWXHA-SFHVURJKSA-N 2 2 322.537 3.828 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C ZINC000090720732 1014763223 /nfs/dbraw/zinc/76/32/23/1014763223.db2.gz KXIPUESSAHIOJX-ZWNOBZJWSA-N 2 2 318.795 3.514 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[N@H+]1C ZINC000090720732 1014763234 /nfs/dbraw/zinc/76/32/34/1014763234.db2.gz KXIPUESSAHIOJX-ZWNOBZJWSA-N 2 2 318.795 3.514 20 0 DHADLP C[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1cncnc1 ZINC001168016991 1014916816 /nfs/dbraw/zinc/91/68/16/1014916816.db2.gz WPCHZGCBAXHLBB-ZACQAIPSSA-N 2 2 324.472 3.569 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C ZINC000341142968 1014929030 /nfs/dbraw/zinc/92/90/30/1014929030.db2.gz UOVPJMVUVBIBQL-GUYCJALGSA-N 2 2 322.880 3.580 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C ZINC000341142968 1014929035 /nfs/dbraw/zinc/92/90/35/1014929035.db2.gz UOVPJMVUVBIBQL-GUYCJALGSA-N 2 2 322.880 3.580 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C ZINC000341142968 1014929043 /nfs/dbraw/zinc/92/90/43/1014929043.db2.gz UOVPJMVUVBIBQL-GUYCJALGSA-N 2 2 322.880 3.580 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C ZINC000341142968 1014929051 /nfs/dbraw/zinc/92/90/51/1014929051.db2.gz UOVPJMVUVBIBQL-GUYCJALGSA-N 2 2 322.880 3.580 20 0 DHADLP Cc1cc(F)cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001143590553 1014933514 /nfs/dbraw/zinc/93/35/14/1014933514.db2.gz YNULYYDVTAEXFE-BGYRXZFFSA-N 2 2 324.443 3.698 20 0 DHADLP Cc1cc(F)cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001143590553 1014933522 /nfs/dbraw/zinc/93/35/22/1014933522.db2.gz YNULYYDVTAEXFE-BGYRXZFFSA-N 2 2 324.443 3.698 20 0 DHADLP Cc1cc(F)cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001143590553 1014933530 /nfs/dbraw/zinc/93/35/30/1014933530.db2.gz YNULYYDVTAEXFE-BGYRXZFFSA-N 2 2 324.443 3.698 20 0 DHADLP Cc1cc(F)cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001143590553 1014933537 /nfs/dbraw/zinc/93/35/37/1014933537.db2.gz YNULYYDVTAEXFE-BGYRXZFFSA-N 2 2 324.443 3.698 20 0 DHADLP Cc1c[nH+]c(CNc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1C ZINC000341152141 1014938503 /nfs/dbraw/zinc/93/85/03/1014938503.db2.gz VNKWPMLSGHWHLA-OAHLLOKOSA-N 2 2 312.461 3.715 20 0 DHADLP Cc1c[nH+]c(CNc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1C ZINC000341152141 1014938510 /nfs/dbraw/zinc/93/85/10/1014938510.db2.gz VNKWPMLSGHWHLA-OAHLLOKOSA-N 2 2 312.461 3.715 20 0 DHADLP C[NH+](C)C1(C)CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000931348525 1032105876 /nfs/dbraw/zinc/10/58/76/1032105876.db2.gz KADQJRVKRZZUPW-UHFFFAOYSA-N 2 2 316.367 3.501 20 0 DHADLP FC(F)c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000656788631 1015163558 /nfs/dbraw/zinc/16/35/58/1015163558.db2.gz DDMWEMOITQPKKH-QZTJIDSGSA-N 2 2 316.395 3.860 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)CCC2 ZINC000581701016 1015243988 /nfs/dbraw/zinc/24/39/88/1015243988.db2.gz FNQGRRBXVWJQLV-OAHLLOKOSA-N 2 2 305.372 3.796 20 0 DHADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000474473622 1015386830 /nfs/dbraw/zinc/38/68/30/1015386830.db2.gz KFDSHHYDOUBVRF-DLBZAZTESA-N 2 2 304.478 3.653 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474483699 1015394807 /nfs/dbraw/zinc/39/48/07/1015394807.db2.gz BRSBAOIVDNFUSY-RFQIPJPRSA-N 2 2 312.910 3.967 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474483699 1015394808 /nfs/dbraw/zinc/39/48/08/1015394808.db2.gz BRSBAOIVDNFUSY-RFQIPJPRSA-N 2 2 312.910 3.967 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000361839826 1032121599 /nfs/dbraw/zinc/12/15/99/1032121599.db2.gz MMJDYPSEZXORJQ-CABCVRRESA-N 2 2 301.459 3.507 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000361839826 1032121604 /nfs/dbraw/zinc/12/16/04/1032121604.db2.gz MMJDYPSEZXORJQ-CABCVRRESA-N 2 2 301.459 3.507 20 0 DHADLP CCSC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001173300474 1033655924 /nfs/dbraw/zinc/65/59/24/1033655924.db2.gz VVIYDEZTFRTABG-AWEZNQCLSA-N 2 2 324.509 3.830 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151352995 1016036573 /nfs/dbraw/zinc/03/65/73/1016036573.db2.gz DSYQZQPOXCRBNP-MRXNPFEDSA-N 2 2 321.424 3.791 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000151563192 1016061694 /nfs/dbraw/zinc/06/16/94/1016061694.db2.gz QLDFKHKIHTXEDE-NQIIRXRSSA-N 2 2 323.484 3.514 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000151563192 1016061705 /nfs/dbraw/zinc/06/17/05/1016061705.db2.gz QLDFKHKIHTXEDE-NQIIRXRSSA-N 2 2 323.484 3.514 20 0 DHADLP CC[C@H](C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000151678332 1016125876 /nfs/dbraw/zinc/12/58/76/1016125876.db2.gz APRNPEUDSKUNTE-SJORKVTESA-N 2 2 320.477 3.619 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657290472 1016208895 /nfs/dbraw/zinc/20/88/95/1016208895.db2.gz QUUKQJZLTBCUMJ-QGZVFWFLSA-N 2 2 315.486 3.692 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657290472 1016208900 /nfs/dbraw/zinc/20/89/00/1016208900.db2.gz QUUKQJZLTBCUMJ-QGZVFWFLSA-N 2 2 315.486 3.692 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(F)F)c(F)c2)CC[N@@H+]1C ZINC000892105601 1016234017 /nfs/dbraw/zinc/23/40/17/1016234017.db2.gz ONTHXUQBPJRBTL-DGCLKSJQSA-N 2 2 300.368 3.678 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(F)F)c(F)c2)CC[N@H+]1C ZINC000892105601 1016234024 /nfs/dbraw/zinc/23/40/24/1016234024.db2.gz ONTHXUQBPJRBTL-DGCLKSJQSA-N 2 2 300.368 3.678 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(F)F)c(F)c2)CC[NH+]1C ZINC000892105601 1016234027 /nfs/dbraw/zinc/23/40/27/1016234027.db2.gz ONTHXUQBPJRBTL-DGCLKSJQSA-N 2 2 300.368 3.678 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(F)F)c(F)c2)CC[NH+]1C ZINC000892105601 1016234032 /nfs/dbraw/zinc/23/40/32/1016234032.db2.gz ONTHXUQBPJRBTL-DGCLKSJQSA-N 2 2 300.368 3.678 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657316637 1016318585 /nfs/dbraw/zinc/31/85/85/1016318585.db2.gz IXBNFYSXVPIIMV-UHFFFAOYSA-N 2 2 320.452 3.719 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000387244075 1016410785 /nfs/dbraw/zinc/41/07/85/1016410785.db2.gz RAXRZFBPLJQVDO-MSOLQXFVSA-N 2 2 304.478 3.617 20 0 DHADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1Cl ZINC001279573747 1016463138 /nfs/dbraw/zinc/46/31/38/1016463138.db2.gz IOOKVOVDEQTAHQ-SFHVURJKSA-N 2 2 322.880 3.656 20 0 DHADLP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1Cl ZINC001279573747 1016463150 /nfs/dbraw/zinc/46/31/50/1016463150.db2.gz IOOKVOVDEQTAHQ-SFHVURJKSA-N 2 2 322.880 3.656 20 0 DHADLP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1Cl ZINC001279573747 1016463156 /nfs/dbraw/zinc/46/31/56/1016463156.db2.gz IOOKVOVDEQTAHQ-SFHVURJKSA-N 2 2 322.880 3.656 20 0 DHADLP COc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1Cl ZINC001279573747 1016463161 /nfs/dbraw/zinc/46/31/61/1016463161.db2.gz IOOKVOVDEQTAHQ-SFHVURJKSA-N 2 2 322.880 3.656 20 0 DHADLP CCC[N@H+](Cc1nc(-c2ccccc2)cs1)C1CC[NH2+]CC1 ZINC000347122561 1016745397 /nfs/dbraw/zinc/74/53/97/1016745397.db2.gz WHCBFUZDZPDVMW-UHFFFAOYSA-N 2 2 315.486 3.774 20 0 DHADLP CCC[N@@H+](Cc1nc(-c2ccccc2)cs1)C1CC[NH2+]CC1 ZINC000347122561 1016745413 /nfs/dbraw/zinc/74/54/13/1016745413.db2.gz WHCBFUZDZPDVMW-UHFFFAOYSA-N 2 2 315.486 3.774 20 0 DHADLP CC(C)n1ccnc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000657439609 1016815995 /nfs/dbraw/zinc/81/59/95/1016815995.db2.gz IVMOPCVUIBOSHG-UHFFFAOYSA-N 2 2 306.498 3.598 20 0 DHADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC)cc1 ZINC000152770955 1016999693 /nfs/dbraw/zinc/99/96/93/1016999693.db2.gz BQELNSBCRMAXGO-GOSISDBHSA-N 2 2 313.445 3.511 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)CC1(C)C ZINC000623376917 1017002225 /nfs/dbraw/zinc/00/22/25/1017002225.db2.gz HOGHWGBKZCRGKR-LBPRGKRZSA-N 2 2 323.893 3.912 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)CC1(C)C ZINC000623376917 1017002233 /nfs/dbraw/zinc/00/22/33/1017002233.db2.gz HOGHWGBKZCRGKR-LBPRGKRZSA-N 2 2 323.893 3.912 20 0 DHADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1OC ZINC000152815917 1017022553 /nfs/dbraw/zinc/02/25/53/1017022553.db2.gz AWHCOAIQIKEQDS-KRWDZBQOSA-N 2 2 313.445 3.511 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2ccccc2o1 ZINC000152826650 1017024051 /nfs/dbraw/zinc/02/40/51/1017024051.db2.gz SHCUTOVPOACZTE-CQSZACIVSA-N 2 2 309.413 3.859 20 0 DHADLP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000361912637 1032154123 /nfs/dbraw/zinc/15/41/23/1032154123.db2.gz BVTKDDNIGWWYHI-JKSUJKDBSA-N 2 2 319.474 3.616 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2O1 ZINC000294970353 1032230968 /nfs/dbraw/zinc/23/09/68/1032230968.db2.gz FQXFMYUYHDVMGK-CRAIPNDOSA-N 2 2 323.440 3.552 20 0 DHADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246905813 1032269178 /nfs/dbraw/zinc/26/91/78/1032269178.db2.gz AADQQZKQSBWAGJ-BBRMVZONSA-N 2 2 312.910 3.895 20 0 DHADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001246905813 1032269188 /nfs/dbraw/zinc/26/91/88/1032269188.db2.gz AADQQZKQSBWAGJ-BBRMVZONSA-N 2 2 312.910 3.895 20 0 DHADLP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683914 1032550075 /nfs/dbraw/zinc/55/00/75/1032550075.db2.gz ALWFZYNWBFKJEH-MRXNPFEDSA-N 2 2 321.534 3.649 20 0 DHADLP CC(C)Cc1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683914 1032550081 /nfs/dbraw/zinc/55/00/81/1032550081.db2.gz ALWFZYNWBFKJEH-MRXNPFEDSA-N 2 2 321.534 3.649 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000093693780 1032551563 /nfs/dbraw/zinc/55/15/63/1032551563.db2.gz PLKAQJVZMVKHQD-AWEZNQCLSA-N 2 2 307.507 3.574 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000093693780 1032551567 /nfs/dbraw/zinc/55/15/67/1032551567.db2.gz PLKAQJVZMVKHQD-AWEZNQCLSA-N 2 2 307.507 3.574 20 0 DHADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382853 1032558244 /nfs/dbraw/zinc/55/82/44/1032558244.db2.gz NPYDLWXYQGCXEX-QGZVFWFLSA-N 2 2 322.443 3.627 20 0 DHADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382853 1032558249 /nfs/dbraw/zinc/55/82/49/1032558249.db2.gz NPYDLWXYQGCXEX-QGZVFWFLSA-N 2 2 322.443 3.627 20 0 DHADLP Fc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171396196 1032580889 /nfs/dbraw/zinc/58/08/89/1032580889.db2.gz LDDRNERHPGJPSZ-QGZVFWFLSA-N 2 2 321.399 3.659 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000537648429 1032578500 /nfs/dbraw/zinc/57/85/00/1032578500.db2.gz RNDCWGRQNGJGCP-UWWQBHOKSA-N 2 2 302.462 3.567 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000537648429 1032578506 /nfs/dbraw/zinc/57/85/06/1032578506.db2.gz RNDCWGRQNGJGCP-UWWQBHOKSA-N 2 2 302.462 3.567 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000537648429 1032578510 /nfs/dbraw/zinc/57/85/10/1032578510.db2.gz RNDCWGRQNGJGCP-UWWQBHOKSA-N 2 2 302.462 3.567 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000537648429 1032578517 /nfs/dbraw/zinc/57/85/17/1032578517.db2.gz RNDCWGRQNGJGCP-UWWQBHOKSA-N 2 2 302.462 3.567 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000424270116 1011966131 /nfs/dbraw/zinc/96/61/31/1011966131.db2.gz QBKLEYKMGVYQER-IHRRRGAJSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000424270116 1011966145 /nfs/dbraw/zinc/96/61/45/1011966145.db2.gz QBKLEYKMGVYQER-IHRRRGAJSA-N 2 2 308.853 3.626 20 0 DHADLP [NH3+]C[C@@H](C[N@@H+]1CCCC[C@H]1c1nccs1)c1ccc(F)cc1 ZINC000424307933 1011990141 /nfs/dbraw/zinc/99/01/41/1011990141.db2.gz YRXZMFSAVPIXTF-HOCLYGCPSA-N 2 2 319.449 3.552 20 0 DHADLP [NH3+]C[C@@H](C[N@H+]1CCCC[C@H]1c1nccs1)c1ccc(F)cc1 ZINC000424307933 1011990149 /nfs/dbraw/zinc/99/01/49/1011990149.db2.gz YRXZMFSAVPIXTF-HOCLYGCPSA-N 2 2 319.449 3.552 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000424342553 1012007255 /nfs/dbraw/zinc/00/72/55/1012007255.db2.gz DHJOBWZYWBSVRQ-FUDCBSFHSA-N 2 2 308.853 3.624 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000424342553 1012007273 /nfs/dbraw/zinc/00/72/73/1012007273.db2.gz DHJOBWZYWBSVRQ-FUDCBSFHSA-N 2 2 308.853 3.624 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@H](C)C[C@H]3C)sc2C1 ZINC000425355512 1012474956 /nfs/dbraw/zinc/47/49/56/1012474956.db2.gz MFIPTTJDHXSPHC-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@H](C)C[C@H]3C)sc2C1 ZINC000425355512 1012474964 /nfs/dbraw/zinc/47/49/64/1012474964.db2.gz MFIPTTJDHXSPHC-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@H](C)C[C@H]3C)sc2C1 ZINC000425355512 1012474973 /nfs/dbraw/zinc/47/49/73/1012474973.db2.gz MFIPTTJDHXSPHC-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@H](C)C[C@H]3C)sc2C1 ZINC000425355512 1012474983 /nfs/dbraw/zinc/47/49/83/1012474983.db2.gz MFIPTTJDHXSPHC-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Br ZINC000036945529 1012721652 /nfs/dbraw/zinc/72/16/52/1012721652.db2.gz PNVSCQBLUBOWSQ-FUDCBSFHSA-N 2 2 323.278 3.725 20 0 DHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Br ZINC000036945529 1012721666 /nfs/dbraw/zinc/72/16/66/1012721666.db2.gz PNVSCQBLUBOWSQ-FUDCBSFHSA-N 2 2 323.278 3.725 20 0 DHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000425950497 1013001987 /nfs/dbraw/zinc/00/19/87/1013001987.db2.gz AFPXXGXQWCANJK-OAHLLOKOSA-N 2 2 316.445 3.503 20 0 DHADLP CC[C@@H]1COCC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168063279 1017192735 /nfs/dbraw/zinc/19/27/35/1017192735.db2.gz MOUAUPFXSBCAGT-ZHALLVOQSA-N 2 2 316.489 3.539 20 0 DHADLP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@@H+]1CCC[NH2+]CC1 ZINC001204684136 1017377589 /nfs/dbraw/zinc/37/75/89/1017377589.db2.gz GFUUWNXESPVQND-UHFFFAOYSA-N 2 2 315.848 3.506 20 0 DHADLP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1CCC[NH2+]CC1 ZINC001204684136 1017377606 /nfs/dbraw/zinc/37/76/06/1017377606.db2.gz GFUUWNXESPVQND-UHFFFAOYSA-N 2 2 315.848 3.506 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)CCO1 ZINC001168072632 1017441782 /nfs/dbraw/zinc/44/17/82/1017441782.db2.gz VMGXRIMHHUTRRC-XWPNQZOQSA-N 2 2 310.441 3.585 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccnc2ccccc12 ZINC000666972506 1032702126 /nfs/dbraw/zinc/70/21/26/1032702126.db2.gz UMDPAIRIEGVHGW-IBGZPJMESA-N 2 2 305.425 3.587 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1C(F)(F)F ZINC000623849783 1017528603 /nfs/dbraw/zinc/52/86/03/1017528603.db2.gz PCRRRWIHIQKNOO-NSHDSACASA-N 2 2 315.314 3.782 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccccc1 ZINC000623894637 1017560665 /nfs/dbraw/zinc/56/06/65/1017560665.db2.gz ZJYLLAPSVNYERV-BQFCYCMXSA-N 2 2 304.478 3.663 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCc2scnc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000623957819 1017606115 /nfs/dbraw/zinc/60/61/15/1017606115.db2.gz WIHPMAGIRPADIX-SQWLQELKSA-N 2 2 319.518 3.763 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCc2scnc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000623957819 1017606124 /nfs/dbraw/zinc/60/61/24/1017606124.db2.gz WIHPMAGIRPADIX-SQWLQELKSA-N 2 2 319.518 3.763 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000623957484 1017606915 /nfs/dbraw/zinc/60/69/15/1017606915.db2.gz LBNKLAQGDVCXPC-ILXRZTDVSA-N 2 2 307.507 3.755 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000623957484 1017606918 /nfs/dbraw/zinc/60/69/18/1017606918.db2.gz LBNKLAQGDVCXPC-ILXRZTDVSA-N 2 2 307.507 3.755 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)c1 ZINC000624014564 1017637180 /nfs/dbraw/zinc/63/71/80/1017637180.db2.gz AUIKAJDYAPWTHY-UXHICEINSA-N 2 2 316.489 3.535 20 0 DHADLP Cc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000444745186 1017659432 /nfs/dbraw/zinc/65/94/32/1017659432.db2.gz QFSKWHGFDVFAEI-UHFFFAOYSA-N 2 2 309.388 3.952 20 0 DHADLP Cc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000444745186 1017659450 /nfs/dbraw/zinc/65/94/50/1017659450.db2.gz QFSKWHGFDVFAEI-UHFFFAOYSA-N 2 2 309.388 3.952 20 0 DHADLP CC(C)CSCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358368116 1017875142 /nfs/dbraw/zinc/87/51/42/1017875142.db2.gz NEIWSQQJZZMQQR-OAHLLOKOSA-N 2 2 303.475 3.912 20 0 DHADLP C[C@H](CC[NH2+][C@H](C)c1nc2c(s1)CCCC2)[NH+]1CCCCC1 ZINC000184498260 1018083492 /nfs/dbraw/zinc/08/34/92/1018083492.db2.gz UZFVQHHRKJHKRC-HUUCEWRRSA-N 2 2 321.534 3.937 20 0 DHADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)sc1C ZINC000185683203 1018125600 /nfs/dbraw/zinc/12/56/00/1018125600.db2.gz UQEPQXUOTFMPHL-UKRRQHHQSA-N 2 2 307.507 3.503 20 0 DHADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)sc1C ZINC000185683203 1018125609 /nfs/dbraw/zinc/12/56/09/1018125609.db2.gz UQEPQXUOTFMPHL-UKRRQHHQSA-N 2 2 307.507 3.503 20 0 DHADLP C[C@@H]([NH2+]Cc1nc2ccccc2o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720059 1018127974 /nfs/dbraw/zinc/12/79/74/1018127974.db2.gz JVQPHCCMBNCXEM-HUUCEWRRSA-N 2 2 313.445 3.570 20 0 DHADLP C[C@@H]([NH2+]Cc1nc2ccccc2o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720059 1018127980 /nfs/dbraw/zinc/12/79/80/1018127980.db2.gz JVQPHCCMBNCXEM-HUUCEWRRSA-N 2 2 313.445 3.570 20 0 DHADLP CC(C)C(C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000193340456 1018139487 /nfs/dbraw/zinc/13/94/87/1018139487.db2.gz UTCUOZQQPOBIQB-PXNSSMCTSA-N 2 2 317.521 3.810 20 0 DHADLP CC(C)C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000193340456 1018139492 /nfs/dbraw/zinc/13/94/92/1018139492.db2.gz UTCUOZQQPOBIQB-PXNSSMCTSA-N 2 2 317.521 3.810 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1(C)C ZINC000623476481 1032749317 /nfs/dbraw/zinc/74/93/17/1032749317.db2.gz BHDZGMKFUHIRHD-AWEZNQCLSA-N 2 2 308.416 3.806 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1(C)C ZINC000623476481 1032749347 /nfs/dbraw/zinc/74/93/47/1032749347.db2.gz BHDZGMKFUHIRHD-AWEZNQCLSA-N 2 2 308.416 3.806 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000155001010 1018233324 /nfs/dbraw/zinc/23/33/24/1018233324.db2.gz ZEHOVTBBFDBJPU-QGZVFWFLSA-N 2 2 305.372 3.950 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC2CCC1CC2 ZINC000381581064 1018264849 /nfs/dbraw/zinc/26/48/49/1018264849.db2.gz BRILQABFSOHHMQ-LOTPSLMQSA-N 2 2 313.489 3.855 20 0 DHADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000155741102 1018339610 /nfs/dbraw/zinc/33/96/10/1018339610.db2.gz SUKNRLORVRVCFG-CQSZACIVSA-N 2 2 309.866 3.697 20 0 DHADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)C1CC1 ZINC000155855798 1018362074 /nfs/dbraw/zinc/36/20/74/1018362074.db2.gz WCXRSHCIIJOCBH-ZIAGYGMSSA-N 2 2 317.502 3.862 20 0 DHADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)C1CC1 ZINC000155855798 1018362086 /nfs/dbraw/zinc/36/20/86/1018362086.db2.gz WCXRSHCIIJOCBH-ZIAGYGMSSA-N 2 2 317.502 3.862 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000447316626 1018368679 /nfs/dbraw/zinc/36/86/79/1018368679.db2.gz ZLVMCRXWDITQBQ-INIZCTEOSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000447316626 1018368681 /nfs/dbraw/zinc/36/86/81/1018368681.db2.gz ZLVMCRXWDITQBQ-INIZCTEOSA-N 2 2 302.805 3.697 20 0 DHADLP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000764812665 1018386840 /nfs/dbraw/zinc/38/68/40/1018386840.db2.gz CWGTZXGIGNEVII-MRXNPFEDSA-N 2 2 323.415 3.791 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)o1 ZINC000447560720 1018424874 /nfs/dbraw/zinc/42/48/74/1018424874.db2.gz FHOSLKCWXYNNSZ-HNNXBMFYSA-N 2 2 309.413 3.992 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447578903 1018437029 /nfs/dbraw/zinc/43/70/29/1018437029.db2.gz LTHMLEQDABYBAX-KXBFYZLASA-N 2 2 324.472 3.639 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447578903 1018437035 /nfs/dbraw/zinc/43/70/35/1018437035.db2.gz LTHMLEQDABYBAX-KXBFYZLASA-N 2 2 324.472 3.639 20 0 DHADLP CO[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000658317796 1018460204 /nfs/dbraw/zinc/46/02/04/1018460204.db2.gz XAHZWGZERHPIRF-HNAYVOBHSA-N 2 2 313.445 3.728 20 0 DHADLP COc1ccc([C@@H](C)C[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000447899552 1018499767 /nfs/dbraw/zinc/49/97/67/1018499767.db2.gz UIYHZDIDAYGKRD-YJBOKZPZSA-N 2 2 304.478 3.509 20 0 DHADLP COc1ccc([C@@H](C)C[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000447899552 1018499773 /nfs/dbraw/zinc/49/97/73/1018499773.db2.gz UIYHZDIDAYGKRD-YJBOKZPZSA-N 2 2 304.478 3.509 20 0 DHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000262348498 1018609442 /nfs/dbraw/zinc/60/94/42/1018609442.db2.gz UZKNQMOWOMCCHE-NXHRZFHOSA-N 2 2 304.478 3.521 20 0 DHADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cncs1 ZINC000675923538 1018625655 /nfs/dbraw/zinc/62/56/55/1018625655.db2.gz SRRIXJIIOQDMGR-DZGCQCFKSA-N 2 2 312.442 3.511 20 0 DHADLP C[NH+](C)CCc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001213091078 1018716319 /nfs/dbraw/zinc/71/63/19/1018716319.db2.gz VOANIXCSDHKZFD-UHFFFAOYSA-N 2 2 306.413 3.924 20 0 DHADLP Cc1nc2c(s1)[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)CCC2 ZINC000765251350 1018728952 /nfs/dbraw/zinc/72/89/52/1018728952.db2.gz OXSOFVUMXIYLAV-CABCVRRESA-N 2 2 318.490 3.730 20 0 DHADLP CCc1nc(C)c([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000765254078 1018736168 /nfs/dbraw/zinc/73/61/68/1018736168.db2.gz WNNBBXAIDVOOBR-GXTWGEPZSA-N 2 2 320.506 3.976 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000921525859 1018827295 /nfs/dbraw/zinc/82/72/95/1018827295.db2.gz ADJKAJBXKLQUHQ-QGZVFWFLSA-N 2 2 321.424 3.640 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)C)nc2C)C[C@H]1C ZINC000339011006 1032790136 /nfs/dbraw/zinc/79/01/36/1032790136.db2.gz OMPKQEKVQWDLQN-QAPCUYQASA-N 2 2 303.494 3.818 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)C)nc2C)C[C@H]1C ZINC000339011006 1032790144 /nfs/dbraw/zinc/79/01/44/1032790144.db2.gz OMPKQEKVQWDLQN-QAPCUYQASA-N 2 2 303.494 3.818 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(C)C)nc2C)C[C@H]1C ZINC000339011006 1032790152 /nfs/dbraw/zinc/79/01/52/1032790152.db2.gz OMPKQEKVQWDLQN-QAPCUYQASA-N 2 2 303.494 3.818 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(C)C)nc2C)C[C@H]1C ZINC000339011006 1032790159 /nfs/dbraw/zinc/79/01/59/1032790159.db2.gz OMPKQEKVQWDLQN-QAPCUYQASA-N 2 2 303.494 3.818 20 0 DHADLP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1F ZINC000584023308 1018865084 /nfs/dbraw/zinc/86/50/84/1018865084.db2.gz GEAGFEAMUUFNAT-SJKOYZFVSA-N 2 2 305.372 3.532 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(C)cc3)n2)CC[C@@H]1[NH3+] ZINC000316840285 1018873877 /nfs/dbraw/zinc/87/38/77/1018873877.db2.gz MNPCSEURXUEDCL-PBHICJAKSA-N 2 2 315.486 3.678 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C)cc3)n2)CC[C@@H]1[NH3+] ZINC000316840285 1018873905 /nfs/dbraw/zinc/87/39/05/1018873905.db2.gz MNPCSEURXUEDCL-PBHICJAKSA-N 2 2 315.486 3.678 20 0 DHADLP C[NH+]1C(C)(C)CC([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1(C)C ZINC001171630786 1032796474 /nfs/dbraw/zinc/79/64/74/1032796474.db2.gz BLOCGNZFNKRASF-BETUJISGSA-N 2 2 300.437 3.615 20 0 DHADLP C[NH+]1C(C)(C)CC([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1(C)C ZINC001171630786 1032796490 /nfs/dbraw/zinc/79/64/90/1032796490.db2.gz BLOCGNZFNKRASF-BETUJISGSA-N 2 2 300.437 3.615 20 0 DHADLP Clc1scc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1Cl ZINC000666993928 1032797928 /nfs/dbraw/zinc/79/79/28/1032797928.db2.gz ULCNXMRWRGEVDV-SNVBAGLBSA-N 2 2 305.274 3.819 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccn1 ZINC000159216185 1019026530 /nfs/dbraw/zinc/02/65/30/1019026530.db2.gz IQWICDNRGVDTLU-DAYGRLMNSA-N 2 2 315.486 3.877 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccn1 ZINC000159216185 1019026539 /nfs/dbraw/zinc/02/65/39/1019026539.db2.gz IQWICDNRGVDTLU-DAYGRLMNSA-N 2 2 315.486 3.877 20 0 DHADLP C[C@@H](CSC(C)(C)C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000766163167 1019058444 /nfs/dbraw/zinc/05/84/44/1019058444.db2.gz PKMWAVPWCBGLEY-HNNXBMFYSA-N 2 2 320.546 3.595 20 0 DHADLP Cc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1Br ZINC000921578215 1019091617 /nfs/dbraw/zinc/09/16/17/1019091617.db2.gz PDYRBYQTHIVQNQ-UHFFFAOYSA-N 2 2 322.250 3.524 20 0 DHADLP c1ccc2sc([C@H]3CCC[N@H+]3CCC[NH2+]C3CC3)nc2c1 ZINC000923319863 1019123047 /nfs/dbraw/zinc/12/30/47/1019123047.db2.gz QWXWNKOYIUNNRA-OAHLLOKOSA-N 2 2 301.459 3.575 20 0 DHADLP c1ccc2sc([C@H]3CCC[N@@H+]3CCC[NH2+]C3CC3)nc2c1 ZINC000923319863 1019123059 /nfs/dbraw/zinc/12/30/59/1019123059.db2.gz QWXWNKOYIUNNRA-OAHLLOKOSA-N 2 2 301.459 3.575 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)[nH]1 ZINC000080960777 1019134268 /nfs/dbraw/zinc/13/42/68/1019134268.db2.gz POXVSUNYIXKTHQ-OAHLLOKOSA-N 2 2 324.453 3.913 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)[nH]1 ZINC000080960777 1019134272 /nfs/dbraw/zinc/13/42/72/1019134272.db2.gz POXVSUNYIXKTHQ-OAHLLOKOSA-N 2 2 324.453 3.913 20 0 DHADLP Cc1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)sc1C(C)(C)C ZINC000923365066 1019153369 /nfs/dbraw/zinc/15/33/69/1019153369.db2.gz RVWRKLCDBZLHNK-GJZGRUSLSA-N 2 2 321.534 3.713 20 0 DHADLP Cc1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)sc1C(C)(C)C ZINC000923365066 1019153393 /nfs/dbraw/zinc/15/33/93/1019153393.db2.gz RVWRKLCDBZLHNK-GJZGRUSLSA-N 2 2 321.534 3.713 20 0 DHADLP c1ccc([C@@H]2CCC[C@@H](C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)O2)cc1 ZINC000923531969 1019266174 /nfs/dbraw/zinc/26/61/74/1019266174.db2.gz YCSSNPPODFHVMR-UFYCRDLUSA-N 2 2 314.473 3.515 20 0 DHADLP c1ccc([C@@H]2CCC[C@@H](C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)O2)cc1 ZINC000923531969 1019266186 /nfs/dbraw/zinc/26/61/86/1019266186.db2.gz YCSSNPPODFHVMR-UFYCRDLUSA-N 2 2 314.473 3.515 20 0 DHADLP Cc1c(Cl)ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000922017621 1019322202 /nfs/dbraw/zinc/32/22/02/1019322202.db2.gz UDSAPDOIBFORLJ-GFCCVEGCSA-N 2 2 310.228 3.603 20 0 DHADLP Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000090519894 1019408845 /nfs/dbraw/zinc/40/88/45/1019408845.db2.gz MBVWUSARGAEMRO-JXFKEZNVSA-N 2 2 321.424 3.565 20 0 DHADLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000092072241 1019500122 /nfs/dbraw/zinc/50/01/22/1019500122.db2.gz AOSQDPUBWLQSMH-HNNXBMFYSA-N 2 2 311.429 3.503 20 0 DHADLP CC1(C)Cc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000092072241 1019500127 /nfs/dbraw/zinc/50/01/27/1019500127.db2.gz AOSQDPUBWLQSMH-HNNXBMFYSA-N 2 2 311.429 3.503 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(C)(C)C(F)F ZINC000657882801 1019736029 /nfs/dbraw/zinc/73/60/29/1019736029.db2.gz MSMIDNRWHFGPIF-ZBFHGGJFSA-N 2 2 310.432 3.920 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(C)(C)C(F)F ZINC000657882801 1019736044 /nfs/dbraw/zinc/73/60/44/1019736044.db2.gz MSMIDNRWHFGPIF-ZBFHGGJFSA-N 2 2 310.432 3.920 20 0 DHADLP C[C@@H](CC1CCC1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766188793 1019739539 /nfs/dbraw/zinc/73/95/39/1019739539.db2.gz AJPWRPOGGRZKNW-INIZCTEOSA-N 2 2 315.505 3.890 20 0 DHADLP C/C(=C/c1ccccc1)C[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000922631274 1020177208 /nfs/dbraw/zinc/17/72/08/1020177208.db2.gz KQOYWYVNVAEPGY-NMIWIPSGSA-N 2 2 309.457 3.768 20 0 DHADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000387556597 1020319948 /nfs/dbraw/zinc/31/99/48/1020319948.db2.gz RWVIKDOIIWPSHI-INIZCTEOSA-N 2 2 301.434 3.801 20 0 DHADLP C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000658363839 1020327837 /nfs/dbraw/zinc/32/78/37/1020327837.db2.gz XXFRXJYEYKDBOO-TWOQFEAHSA-N 2 2 321.424 3.645 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171809703 1032896305 /nfs/dbraw/zinc/89/63/05/1032896305.db2.gz LOKHIGOPMNXGHZ-SFHVURJKSA-N 2 2 321.399 3.611 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171809703 1032896309 /nfs/dbraw/zinc/89/63/09/1032896309.db2.gz LOKHIGOPMNXGHZ-SFHVURJKSA-N 2 2 321.399 3.611 20 0 DHADLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171812609 1032899425 /nfs/dbraw/zinc/89/94/25/1032899425.db2.gz SYWZNBKSGBXRLH-SFHVURJKSA-N 2 2 316.464 3.632 20 0 DHADLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171812609 1032899439 /nfs/dbraw/zinc/89/94/39/1032899439.db2.gz SYWZNBKSGBXRLH-SFHVURJKSA-N 2 2 316.464 3.632 20 0 DHADLP c1cn(-c2cccc(C[NH2+][C@H]3CCCNc4ccccc43)c2)c[nH+]1 ZINC000347955266 1020466184 /nfs/dbraw/zinc/46/61/84/1020466184.db2.gz LZJWJNWRSLXBRN-FQEVSTJZSA-N 2 2 318.424 3.909 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000350087173 1020500504 /nfs/dbraw/zinc/50/05/04/1020500504.db2.gz DPENPJBQYGZAKU-NVXWUHKLSA-N 2 2 310.526 3.680 20 0 DHADLP C[N@H+](Cc1csc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000628273159 1020531702 /nfs/dbraw/zinc/53/17/02/1020531702.db2.gz KMRJUDBXOLVVAR-FUNVUKJBSA-N 2 2 318.408 3.824 20 0 DHADLP C[N@@H+](Cc1csc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000628273159 1020531706 /nfs/dbraw/zinc/53/17/06/1020531706.db2.gz KMRJUDBXOLVVAR-FUNVUKJBSA-N 2 2 318.408 3.824 20 0 DHADLP C[NH+](Cc1csc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000628273159 1020531717 /nfs/dbraw/zinc/53/17/17/1020531717.db2.gz KMRJUDBXOLVVAR-FUNVUKJBSA-N 2 2 318.408 3.824 20 0 DHADLP C[NH+](Cc1csc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000628273159 1020531721 /nfs/dbraw/zinc/53/17/21/1020531721.db2.gz KMRJUDBXOLVVAR-FUNVUKJBSA-N 2 2 318.408 3.824 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(Br)c1Cl ZINC000310468099 1020537157 /nfs/dbraw/zinc/53/71/57/1020537157.db2.gz YAHHTTJANZSAJN-JTQLQIEISA-N 2 2 319.674 3.532 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH+]1CCCCC1 ZINC001171957754 1032923614 /nfs/dbraw/zinc/92/36/14/1032923614.db2.gz CHOHXKNUBQRVFJ-AWEZNQCLSA-N 2 2 314.395 3.712 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001171958941 1032926452 /nfs/dbraw/zinc/92/64/52/1032926452.db2.gz LTZDOPOHLLMQSY-CJNGLKHVSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001171958941 1032926461 /nfs/dbraw/zinc/92/64/61/1032926461.db2.gz LTZDOPOHLLMQSY-CJNGLKHVSA-N 2 2 314.395 3.710 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647498236 1020773756 /nfs/dbraw/zinc/77/37/56/1020773756.db2.gz CYYBGUPZDJNQAA-DGCLKSJQSA-N 2 2 318.795 3.501 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647498236 1020773760 /nfs/dbraw/zinc/77/37/60/1020773760.db2.gz CYYBGUPZDJNQAA-DGCLKSJQSA-N 2 2 318.795 3.501 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001171959234 1032926861 /nfs/dbraw/zinc/92/68/61/1032926861.db2.gz SUZKJFIIDURQDN-CZUORRHYSA-N 2 2 314.395 3.709 20 0 DHADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001171959234 1032926870 /nfs/dbraw/zinc/92/68/70/1032926870.db2.gz SUZKJFIIDURQDN-CZUORRHYSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001171958751 1032927651 /nfs/dbraw/zinc/92/76/51/1032927651.db2.gz HCPYCIVTRZSFJG-KGLIPLIRSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOc1cc[nH+]cc1 ZINC001171963601 1032932141 /nfs/dbraw/zinc/93/21/41/1032932141.db2.gz JFQGRTHLBQWRNL-ZDUSSCGKSA-N 2 2 324.346 3.700 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@H]([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000414078389 1020858632 /nfs/dbraw/zinc/85/86/32/1020858632.db2.gz ZXWLXRXDBKOQSH-WBVHZDCISA-N 2 2 303.837 3.853 20 0 DHADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000766270149 1021000724 /nfs/dbraw/zinc/00/07/24/1021000724.db2.gz OPJOCNPMLVUOSU-CJNGLKHVSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000766270149 1021000730 /nfs/dbraw/zinc/00/07/30/1021000730.db2.gz OPJOCNPMLVUOSU-CJNGLKHVSA-N 2 2 312.404 3.813 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)c2ccccc12 ZINC000766274768 1021037394 /nfs/dbraw/zinc/03/73/94/1021037394.db2.gz UTGZKPIPFVHLQS-CVEARBPZSA-N 2 2 312.457 3.983 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)c2ccccc12 ZINC000766274768 1021037402 /nfs/dbraw/zinc/03/74/02/1021037402.db2.gz UTGZKPIPFVHLQS-CVEARBPZSA-N 2 2 312.457 3.983 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cncnc1 ZINC001171973065 1032956486 /nfs/dbraw/zinc/95/64/86/1032956486.db2.gz VQRFULIODORVFD-QFBILLFUSA-N 2 2 324.472 3.570 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cncnc1 ZINC001171973065 1032956498 /nfs/dbraw/zinc/95/64/98/1032956498.db2.gz VQRFULIODORVFD-QFBILLFUSA-N 2 2 324.472 3.570 20 0 DHADLP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)O1 ZINC001171975742 1032960258 /nfs/dbraw/zinc/96/02/58/1032960258.db2.gz FDWFCWZBFOIQNH-SCTDSRPQSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)O1 ZINC001171975742 1032960265 /nfs/dbraw/zinc/96/02/65/1032960265.db2.gz FDWFCWZBFOIQNH-SCTDSRPQSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)O1 ZINC001171975742 1032960274 /nfs/dbraw/zinc/96/02/74/1032960274.db2.gz FDWFCWZBFOIQNH-SCTDSRPQSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)O1 ZINC001171975742 1032960283 /nfs/dbraw/zinc/96/02/83/1032960283.db2.gz FDWFCWZBFOIQNH-SCTDSRPQSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337393308 1032960938 /nfs/dbraw/zinc/96/09/38/1032960938.db2.gz OICFUYWCEPLTTL-LMMKCTJWSA-N 2 2 301.478 3.572 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000090076974 1021207481 /nfs/dbraw/zinc/20/74/81/1021207481.db2.gz FXGQTKLIPZAWNQ-WMZOPIPTSA-N 2 2 303.494 3.708 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000090076974 1021207488 /nfs/dbraw/zinc/20/74/88/1021207488.db2.gz FXGQTKLIPZAWNQ-WMZOPIPTSA-N 2 2 303.494 3.708 20 0 DHADLP CC1(C)C[C@@H]([NH+]2CCC[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979968 1032963958 /nfs/dbraw/zinc/96/39/58/1032963958.db2.gz CONOTNWHRRYXCC-MSOLQXFVSA-N 2 2 304.453 3.864 20 0 DHADLP CC1(C)C[C@@H]([NH+]2CCC[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979968 1032963974 /nfs/dbraw/zinc/96/39/74/1032963974.db2.gz CONOTNWHRRYXCC-MSOLQXFVSA-N 2 2 304.453 3.864 20 0 DHADLP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171979968 1032963993 /nfs/dbraw/zinc/96/39/93/1032963993.db2.gz CONOTNWHRRYXCC-MSOLQXFVSA-N 2 2 304.453 3.864 20 0 DHADLP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171979968 1032964009 /nfs/dbraw/zinc/96/40/09/1032964009.db2.gz CONOTNWHRRYXCC-MSOLQXFVSA-N 2 2 304.453 3.864 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cnccn1 ZINC001171982675 1032964907 /nfs/dbraw/zinc/96/49/07/1032964907.db2.gz JNSHYIZRRRMUQE-WMZOPIPTSA-N 2 2 324.472 3.570 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cnccn1 ZINC001171982675 1032964921 /nfs/dbraw/zinc/96/49/21/1032964921.db2.gz JNSHYIZRRRMUQE-WMZOPIPTSA-N 2 2 324.472 3.570 20 0 DHADLP C[N@H+](Cc1cccnc1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977961 1032968462 /nfs/dbraw/zinc/96/84/62/1032968462.db2.gz VJUFXJOPOLKMFH-FQEVSTJZSA-N 2 2 323.484 3.957 20 0 DHADLP C[N@@H+](Cc1cccnc1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977961 1032968473 /nfs/dbraw/zinc/96/84/73/1032968473.db2.gz VJUFXJOPOLKMFH-FQEVSTJZSA-N 2 2 323.484 3.957 20 0 DHADLP C[NH+](Cc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977961 1032968477 /nfs/dbraw/zinc/96/84/77/1032968477.db2.gz VJUFXJOPOLKMFH-FQEVSTJZSA-N 2 2 323.484 3.957 20 0 DHADLP C[NH+](Cc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977961 1032968489 /nfs/dbraw/zinc/96/84/89/1032968489.db2.gz VJUFXJOPOLKMFH-FQEVSTJZSA-N 2 2 323.484 3.957 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000449349777 1021294252 /nfs/dbraw/zinc/29/42/52/1021294252.db2.gz HSYOFFIWJIWQDO-CZUORRHYSA-N 2 2 301.821 3.804 20 0 DHADLP Cc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337409454 1032974808 /nfs/dbraw/zinc/97/48/08/1032974808.db2.gz WCUDECVIXRLSLI-SFHVURJKSA-N 2 2 309.457 3.907 20 0 DHADLP Cc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337409454 1032974818 /nfs/dbraw/zinc/97/48/18/1032974818.db2.gz WCUDECVIXRLSLI-SFHVURJKSA-N 2 2 309.457 3.907 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(Sc3ccccc3)CCCC2)n1C ZINC000572542500 1021412900 /nfs/dbraw/zinc/41/29/00/1021412900.db2.gz CRGRFWCGMCQCEU-UHFFFAOYSA-N 2 2 315.486 3.923 20 0 DHADLP CCCc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000589838245 1021501830 /nfs/dbraw/zinc/50/18/30/1021501830.db2.gz GJLVDBDPHKKWIG-UHFFFAOYSA-N 2 2 309.457 3.793 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163762222 1021556982 /nfs/dbraw/zinc/55/69/82/1021556982.db2.gz LKSWPWKXYKQCJE-LBPRGKRZSA-N 2 2 304.331 3.548 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163762222 1021556992 /nfs/dbraw/zinc/55/69/92/1021556992.db2.gz LKSWPWKXYKQCJE-LBPRGKRZSA-N 2 2 304.331 3.548 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCO[C@H](C)C2)[NH+](CC)CC)cc1 ZINC000556214577 1021613504 /nfs/dbraw/zinc/61/35/04/1021613504.db2.gz VRTHLUFITGYBQP-AHRSYUTCSA-N 2 2 318.505 3.789 20 0 DHADLP c1coc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172068017 1032996116 /nfs/dbraw/zinc/99/61/16/1032996116.db2.gz PLCPCKNKRKMMIX-REPLKXPHSA-N 2 2 310.441 3.955 20 0 DHADLP c1coc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172068017 1032996131 /nfs/dbraw/zinc/99/61/31/1032996131.db2.gz PLCPCKNKRKMMIX-REPLKXPHSA-N 2 2 310.441 3.955 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000174460477 1021706277 /nfs/dbraw/zinc/70/62/77/1021706277.db2.gz NDJHCIVWQRKLKZ-YOEHRIQHSA-N 2 2 304.459 3.822 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000174460477 1021706292 /nfs/dbraw/zinc/70/62/92/1021706292.db2.gz NDJHCIVWQRKLKZ-YOEHRIQHSA-N 2 2 304.459 3.822 20 0 DHADLP CSCc1cc[nH+]c(NCc2cccc(C[NH+](C)C)c2)c1 ZINC000094134779 1021750606 /nfs/dbraw/zinc/75/06/06/1021750606.db2.gz SZGHXUCIMGUOTO-UHFFFAOYSA-N 2 2 301.459 3.618 20 0 DHADLP COc1c(Cl)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236213659 1021819714 /nfs/dbraw/zinc/81/97/14/1021819714.db2.gz AUUVAXQHUSVXFT-ZIAGYGMSSA-N 2 2 317.260 3.704 20 0 DHADLP COc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1Cl ZINC001236213659 1021819728 /nfs/dbraw/zinc/81/97/28/1021819728.db2.gz AUUVAXQHUSVXFT-ZIAGYGMSSA-N 2 2 317.260 3.704 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cccc(Br)c1 ZINC000746048536 1021835169 /nfs/dbraw/zinc/83/51/69/1021835169.db2.gz BNGSDTOKRJPWMX-OLZOCXBDSA-N 2 2 311.267 3.584 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cccc(Br)c1 ZINC000746048536 1021835183 /nfs/dbraw/zinc/83/51/83/1021835183.db2.gz BNGSDTOKRJPWMX-OLZOCXBDSA-N 2 2 311.267 3.584 20 0 DHADLP Fc1cccc2c(C[NH+]3CCC([NH+]4CCCCC4)CC3)c[nH]c21 ZINC001137050062 1021921885 /nfs/dbraw/zinc/92/18/85/1021921885.db2.gz PHDDEEIOIUTTNP-UHFFFAOYSA-N 2 2 315.436 3.757 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@@H]3CSc4ccccc4C3)cc2)c[nH+]1 ZINC001172190693 1033031637 /nfs/dbraw/zinc/03/16/37/1033031637.db2.gz LQDDTNZQPIXBPP-KRWDZBQOSA-N 2 2 321.449 3.679 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@H]3CSc4ccccc4C3)cc2)c[nH+]1 ZINC001172190694 1033031892 /nfs/dbraw/zinc/03/18/92/1033031892.db2.gz LQDDTNZQPIXBPP-QGZVFWFLSA-N 2 2 321.449 3.679 20 0 DHADLP Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nn1C ZINC000337495624 1033031964 /nfs/dbraw/zinc/03/19/64/1033031964.db2.gz YDIMUZXESREKRY-GJZGRUSLSA-N 2 2 323.444 3.634 20 0 DHADLP Cc1c[nH+]cc(-n2c3cc(Cl)ccc3nc2CCC[NH3+])c1C ZINC001168996785 1022207798 /nfs/dbraw/zinc/20/77/98/1022207798.db2.gz ZCPIWLZLIIMJRX-UHFFFAOYSA-N 2 2 314.820 3.582 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001169083369 1022253384 /nfs/dbraw/zinc/25/33/84/1022253384.db2.gz DJXQLJSBIXBCJN-ZCNNSNEGSA-N 2 2 300.490 3.670 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001169083369 1022253393 /nfs/dbraw/zinc/25/33/93/1022253393.db2.gz DJXQLJSBIXBCJN-ZCNNSNEGSA-N 2 2 300.490 3.670 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001169083369 1022253402 /nfs/dbraw/zinc/25/34/02/1022253402.db2.gz DJXQLJSBIXBCJN-ZCNNSNEGSA-N 2 2 300.490 3.670 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001169083369 1022253414 /nfs/dbraw/zinc/25/34/14/1022253414.db2.gz DJXQLJSBIXBCJN-ZCNNSNEGSA-N 2 2 300.490 3.670 20 0 DHADLP CC[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C(C)C ZINC000153959585 1022265740 /nfs/dbraw/zinc/26/57/40/1022265740.db2.gz RDMRDRHYCSXQLY-PKOBYXMFSA-N 2 2 318.505 3.911 20 0 DHADLP Cc1cc2cc(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)[nH+]cc2[nH]1 ZINC001169141744 1022272879 /nfs/dbraw/zinc/27/28/79/1022272879.db2.gz KNUKYPHDNOWBAS-KBXCAEBGSA-N 2 2 300.450 3.827 20 0 DHADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169145609 1022278452 /nfs/dbraw/zinc/27/84/52/1022278452.db2.gz NBPMZVIMMFSPDM-FQBWVUSXSA-N 2 2 308.510 3.875 20 0 DHADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169145609 1022278455 /nfs/dbraw/zinc/27/84/55/1022278455.db2.gz NBPMZVIMMFSPDM-FQBWVUSXSA-N 2 2 308.510 3.875 20 0 DHADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169145609 1022278457 /nfs/dbraw/zinc/27/84/57/1022278457.db2.gz NBPMZVIMMFSPDM-FQBWVUSXSA-N 2 2 308.510 3.875 20 0 DHADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169145609 1022278458 /nfs/dbraw/zinc/27/84/58/1022278458.db2.gz NBPMZVIMMFSPDM-FQBWVUSXSA-N 2 2 308.510 3.875 20 0 DHADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CSc2ccccc2C1 ZINC001172207433 1033043788 /nfs/dbraw/zinc/04/37/88/1033043788.db2.gz BSNRIFRFYGPVHL-KRWDZBQOSA-N 2 2 304.503 3.508 20 0 DHADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CSc2ccccc2C1 ZINC001172207433 1033043802 /nfs/dbraw/zinc/04/38/02/1033043802.db2.gz BSNRIFRFYGPVHL-KRWDZBQOSA-N 2 2 304.503 3.508 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@H](C)Cn3cc[nH+]c3)ccc2c1 ZINC000268851950 1022383237 /nfs/dbraw/zinc/38/32/37/1022383237.db2.gz WQAXMPBYJVJZHN-CABCVRRESA-N 2 2 309.413 3.784 20 0 DHADLP CCC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000268929289 1022388600 /nfs/dbraw/zinc/38/86/00/1022388600.db2.gz LTZADBFTPBUJIQ-INIZCTEOSA-N 2 2 313.445 3.730 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000367626954 1022394730 /nfs/dbraw/zinc/39/47/30/1022394730.db2.gz QPVRJEUIJOQQMT-OAHLLOKOSA-N 2 2 315.486 3.767 20 0 DHADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000854233261 1022434624 /nfs/dbraw/zinc/43/46/24/1022434624.db2.gz YKNVAEQYYTWSMQ-QMTHXVAHSA-N 2 2 300.418 3.576 20 0 DHADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1SC(C)(C)C ZINC000854226612 1022435921 /nfs/dbraw/zinc/43/59/21/1022435921.db2.gz IWXGCDNQMNSBKW-WRSVWVKZSA-N 2 2 304.503 3.980 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(N2CCCC2)[nH+]c1 ZINC001169699438 1022510196 /nfs/dbraw/zinc/51/01/96/1022510196.db2.gz YTBYYOWATSDCCL-GOSISDBHSA-N 2 2 322.456 3.922 20 0 DHADLP Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000337546629 1033063718 /nfs/dbraw/zinc/06/37/18/1033063718.db2.gz LVQLOAPQGFRRDV-KGLIPLIRSA-N 2 2 310.401 3.889 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ncc(C(C)(C)C)s1)CCC2 ZINC000364001528 1022564432 /nfs/dbraw/zinc/56/44/32/1022564432.db2.gz LQJCDVDHGOYCOQ-CYBMUJFWSA-N 2 2 318.490 3.613 20 0 DHADLP CO[C@@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000660238500 1022794025 /nfs/dbraw/zinc/79/40/25/1022794025.db2.gz LOZMAKMIJSGHIN-BEFAXECRSA-N 2 2 313.445 3.728 20 0 DHADLP CO[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000660238501 1022795466 /nfs/dbraw/zinc/79/54/66/1022795466.db2.gz LOZMAKMIJSGHIN-DNVCBOLYSA-N 2 2 313.445 3.728 20 0 DHADLP CCn1c[nH+]cc1CNc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000417806211 1022855214 /nfs/dbraw/zinc/85/52/14/1022855214.db2.gz AQPPSAHIVLXMBC-INIZCTEOSA-N 2 2 312.461 3.890 20 0 DHADLP CCn1c[nH+]cc1CNc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000417806211 1022855233 /nfs/dbraw/zinc/85/52/33/1022855233.db2.gz AQPPSAHIVLXMBC-INIZCTEOSA-N 2 2 312.461 3.890 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC000708818624 1022873845 /nfs/dbraw/zinc/87/38/45/1022873845.db2.gz MSBPXCCFNQLXOY-LPHOPBHVSA-N 2 2 300.490 3.923 20 0 DHADLP CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290365007 1022927087 /nfs/dbraw/zinc/92/70/87/1022927087.db2.gz QYIICNRLMKTMNE-HNNXBMFYSA-N 2 2 301.434 3.586 20 0 DHADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccc(C)cc2)cc1 ZINC000163784030 1022929756 /nfs/dbraw/zinc/92/97/56/1022929756.db2.gz VSOZHYDRJHPTFW-NRFANRHFSA-N 2 2 324.468 3.777 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163835904 1022930052 /nfs/dbraw/zinc/93/00/52/1022930052.db2.gz OYDFOFIYNJZWND-HZPDHXFCSA-N 2 2 313.445 3.674 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccccc3N3CCCCC3)C2)[nH]1 ZINC000768903413 1023051310 /nfs/dbraw/zinc/05/13/10/1023051310.db2.gz LZEVBJHQQXWAGV-GOSISDBHSA-N 2 2 324.472 3.780 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccccc3N3CCCCC3)C2)[nH]1 ZINC000768903413 1023051318 /nfs/dbraw/zinc/05/13/18/1023051318.db2.gz LZEVBJHQQXWAGV-GOSISDBHSA-N 2 2 324.472 3.780 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2N2CCCCC2)CC[N@@H+]1C ZINC000769484208 1023152000 /nfs/dbraw/zinc/15/20/00/1023152000.db2.gz GIWHXAZKEKGQSA-IEBWSBKVSA-N 2 2 315.505 3.591 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2N2CCCCC2)CC[N@H+]1C ZINC000769484208 1023152006 /nfs/dbraw/zinc/15/20/06/1023152006.db2.gz GIWHXAZKEKGQSA-IEBWSBKVSA-N 2 2 315.505 3.591 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2N2CCCCC2)CC[NH+]1C ZINC000769484208 1023152009 /nfs/dbraw/zinc/15/20/09/1023152009.db2.gz GIWHXAZKEKGQSA-IEBWSBKVSA-N 2 2 315.505 3.591 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2N2CCCCC2)CC[NH+]1C ZINC000769484208 1023152013 /nfs/dbraw/zinc/15/20/13/1023152013.db2.gz GIWHXAZKEKGQSA-IEBWSBKVSA-N 2 2 315.505 3.591 20 0 DHADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000769868109 1023221422 /nfs/dbraw/zinc/22/14/22/1023221422.db2.gz ODPAYYSPEWUFKC-OAHLLOKOSA-N 2 2 315.461 3.718 20 0 DHADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000769868109 1023221435 /nfs/dbraw/zinc/22/14/35/1023221435.db2.gz ODPAYYSPEWUFKC-OAHLLOKOSA-N 2 2 315.461 3.718 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660664590 1023371202 /nfs/dbraw/zinc/37/12/02/1023371202.db2.gz QXNATWSONLQMPF-SFHVURJKSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660664590 1023371210 /nfs/dbraw/zinc/37/12/10/1023371210.db2.gz QXNATWSONLQMPF-SFHVURJKSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660664590 1023371216 /nfs/dbraw/zinc/37/12/16/1023371216.db2.gz QXNATWSONLQMPF-SFHVURJKSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660664590 1023371222 /nfs/dbraw/zinc/37/12/22/1023371222.db2.gz QXNATWSONLQMPF-SFHVURJKSA-N 2 2 324.415 3.514 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]Cc2cccc3c2CCC3)c[nH+]1 ZINC000651673719 1023448702 /nfs/dbraw/zinc/44/87/02/1023448702.db2.gz UPYZIMKWQCPIFT-UHFFFAOYSA-N 2 2 317.436 3.710 20 0 DHADLP CC[C@H](C)OCC[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172349843 1033133656 /nfs/dbraw/zinc/13/36/56/1033133656.db2.gz MRWHRWXKNIJEEO-CABCVRRESA-N 2 2 301.434 3.775 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651750052 1023514933 /nfs/dbraw/zinc/51/49/33/1023514933.db2.gz UNFUGEFDRYAFCG-OAHLLOKOSA-N 2 2 310.844 3.930 20 0 DHADLP CC[C@H](C)OCC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172362675 1033141103 /nfs/dbraw/zinc/14/11/03/1033141103.db2.gz VZWWVXITSJBPGE-IRXDYDNUSA-N 2 2 310.526 3.919 20 0 DHADLP CC[C@H](C)OCC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172362675 1033141114 /nfs/dbraw/zinc/14/11/14/1033141114.db2.gz VZWWVXITSJBPGE-IRXDYDNUSA-N 2 2 310.526 3.919 20 0 DHADLP CC(C)C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000652191234 1023696604 /nfs/dbraw/zinc/69/66/04/1023696604.db2.gz OJHPXTLIBBFEMZ-DLBZAZTESA-N 2 2 301.409 3.714 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000787291580 1023779510 /nfs/dbraw/zinc/77/95/10/1023779510.db2.gz AZYSKWZDEBPFDV-KXBFYZLASA-N 2 2 319.408 3.527 20 0 DHADLP C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000787753260 1023814254 /nfs/dbraw/zinc/81/42/54/1023814254.db2.gz FJSQYNQAGWBHRQ-FOIQADDNSA-N 2 2 319.408 3.794 20 0 DHADLP COc1ccc([C@@H]([NH2+]CC2(C)CC(F)(F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000925735030 1023818146 /nfs/dbraw/zinc/81/81/46/1023818146.db2.gz XJYUMWXPDZGGLL-HZPDHXFCSA-N 2 2 324.415 3.513 20 0 DHADLP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000709621396 1023831116 /nfs/dbraw/zinc/83/11/16/1023831116.db2.gz TYNBXMPECJHALN-VQTJNVASSA-N 2 2 314.473 3.714 20 0 DHADLP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000709621396 1023831119 /nfs/dbraw/zinc/83/11/19/1023831119.db2.gz TYNBXMPECJHALN-VQTJNVASSA-N 2 2 314.473 3.714 20 0 DHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@H](C)[C@H](C)C2)[nH+]c1 ZINC001172384621 1033170493 /nfs/dbraw/zinc/17/04/93/1033170493.db2.gz VOFOKSJRDNAHTN-LZLYRXPVSA-N 2 2 301.478 3.773 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788569411 1023909151 /nfs/dbraw/zinc/90/91/51/1023909151.db2.gz FZAACTIQIDCIDR-OAHLLOKOSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788585770 1023909842 /nfs/dbraw/zinc/90/98/42/1023909842.db2.gz WZTNYIUCDAPRBA-XDQVBPFNSA-N 2 2 312.910 3.967 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788585770 1023909845 /nfs/dbraw/zinc/90/98/45/1023909845.db2.gz WZTNYIUCDAPRBA-XDQVBPFNSA-N 2 2 312.910 3.967 20 0 DHADLP C[NH+](C)C1CCN(c2ccc([NH2+]C3CC(C)(C)C3)cc2)CC1 ZINC000788597933 1023911653 /nfs/dbraw/zinc/91/16/53/1023911653.db2.gz WVYVUCOHSNQRBU-UHFFFAOYSA-N 2 2 301.478 3.818 20 0 DHADLP COc1c(C)c[nH+]c(CNc2cc(C[NH+](C)C)ccc2C)c1C ZINC000876868670 1033173868 /nfs/dbraw/zinc/17/38/68/1033173868.db2.gz IRAQNQODCNNAIN-UHFFFAOYSA-N 2 2 313.445 3.689 20 0 DHADLP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000876886170 1033176098 /nfs/dbraw/zinc/17/60/98/1033176098.db2.gz WEQUXWLLKZDNFH-CABCVRRESA-N 2 2 313.272 3.607 20 0 DHADLP CC[C@H](CC(C)C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001172397189 1033180354 /nfs/dbraw/zinc/18/03/54/1033180354.db2.gz JTNRVXZMMLSLLE-ZACQAIPSSA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001172397189 1033180358 /nfs/dbraw/zinc/18/03/58/1033180358.db2.gz JTNRVXZMMLSLLE-ZACQAIPSSA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001172397189 1033180369 /nfs/dbraw/zinc/18/03/69/1033180369.db2.gz JTNRVXZMMLSLLE-ZACQAIPSSA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001172397189 1033180380 /nfs/dbraw/zinc/18/03/80/1033180380.db2.gz JTNRVXZMMLSLLE-ZACQAIPSSA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172394656 1033178303 /nfs/dbraw/zinc/17/83/03/1033178303.db2.gz XOUKTXPZCBCZLW-KRWDZBQOSA-N 2 2 304.478 3.771 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccco3)s2)[C@H](C)C1 ZINC000194411844 1024001480 /nfs/dbraw/zinc/00/14/80/1024001480.db2.gz LEADFTUQNFNREU-HIFRSBDPSA-N 2 2 319.474 3.565 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccco3)s2)[C@H](C)C1 ZINC000194411844 1024001494 /nfs/dbraw/zinc/00/14/94/1024001494.db2.gz LEADFTUQNFNREU-HIFRSBDPSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)[C@H](C)C1 ZINC000194411844 1024001506 /nfs/dbraw/zinc/00/15/06/1024001506.db2.gz LEADFTUQNFNREU-HIFRSBDPSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)[C@H](C)C1 ZINC000194411844 1024001513 /nfs/dbraw/zinc/00/15/13/1024001513.db2.gz LEADFTUQNFNREU-HIFRSBDPSA-N 2 2 319.474 3.565 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC001137178886 1024076065 /nfs/dbraw/zinc/07/60/65/1024076065.db2.gz DNNGOZWRUMMQPM-SFHVURJKSA-N 2 2 319.408 3.592 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC001137178886 1024076082 /nfs/dbraw/zinc/07/60/82/1024076082.db2.gz DNNGOZWRUMMQPM-SFHVURJKSA-N 2 2 319.408 3.592 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268771321 1024156563 /nfs/dbraw/zinc/15/65/63/1024156563.db2.gz PXFTXPKDONYVCH-INIZCTEOSA-N 2 2 323.415 3.791 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H]2CCC=CO2)CCCC1)c1ccccc1 ZINC000789743435 1024161898 /nfs/dbraw/zinc/16/18/98/1024161898.db2.gz ANLNRCNNOFJEAU-HKUYNNGSSA-N 2 2 314.473 3.932 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000268820967 1024169584 /nfs/dbraw/zinc/16/95/84/1024169584.db2.gz ODVLFBZTHOBBRW-NEPJUHHUSA-N 2 2 313.323 3.521 20 0 DHADLP C[C@H](C[NH2+]Cc1cc2nc(Cl)ccc2s1)Cn1cc[nH+]c1 ZINC000876984675 1033197801 /nfs/dbraw/zinc/19/78/01/1033197801.db2.gz LBVRCNXHPWNIEG-LLVKDONJSA-N 2 2 320.849 3.572 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1sccc1Cl ZINC000883178519 1024271500 /nfs/dbraw/zinc/27/15/00/1024271500.db2.gz YMXPNAACQDEGOJ-CQSZACIVSA-N 2 2 316.898 3.553 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000531709889 1024278886 /nfs/dbraw/zinc/27/88/86/1024278886.db2.gz KNKYLVYTDYCVAV-INIZCTEOSA-N 2 2 313.445 3.942 20 0 DHADLP c1cn(Cc2cccc(C[NH2+][C@H](C3CC3)C3CCCC3)c2)c[nH+]1 ZINC000453098997 1024312102 /nfs/dbraw/zinc/31/21/02/1024312102.db2.gz XNOUCNKRVOZZJP-FQEVSTJZSA-N 2 2 309.457 3.990 20 0 DHADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269900377 1024327792 /nfs/dbraw/zinc/32/77/92/1024327792.db2.gz YVYHEOTZDJTSCC-KRWDZBQOSA-N 2 2 306.400 3.559 20 0 DHADLP Clc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCC2)cc1 ZINC000453201888 1024397696 /nfs/dbraw/zinc/39/76/96/1024397696.db2.gz NSAPRDAMYAKCJN-SJLPKXTDSA-N 2 2 315.848 3.982 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)s1 ZINC000663468968 1024414677 /nfs/dbraw/zinc/41/46/77/1024414677.db2.gz NTVYRQRVTQDZLQ-MLGOLLRUSA-N 2 2 307.507 3.533 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)s1 ZINC000663468968 1024414680 /nfs/dbraw/zinc/41/46/80/1024414680.db2.gz NTVYRQRVTQDZLQ-MLGOLLRUSA-N 2 2 307.507 3.533 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)s1 ZINC000663468970 1024416089 /nfs/dbraw/zinc/41/60/89/1024416089.db2.gz NTVYRQRVTQDZLQ-WBMJQRKESA-N 2 2 307.507 3.533 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)s1 ZINC000663468970 1024416099 /nfs/dbraw/zinc/41/60/99/1024416099.db2.gz NTVYRQRVTQDZLQ-WBMJQRKESA-N 2 2 307.507 3.533 20 0 DHADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883386414 1024420210 /nfs/dbraw/zinc/42/02/10/1024420210.db2.gz FVGWFPBHJMCSGJ-APWZRJJASA-N 2 2 323.444 3.753 20 0 DHADLP c1cn(C[C@H]([NH2+][C@@H]2CCCc3cccnc32)c2ccccc2)c[nH+]1 ZINC000883388423 1024422703 /nfs/dbraw/zinc/42/27/03/1024422703.db2.gz VDYUAWAUQFIWPN-MOPGFXCFSA-N 2 2 318.424 3.687 20 0 DHADLP C[C@H](CCc1cccnc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388835 1024423089 /nfs/dbraw/zinc/42/30/89/1024423089.db2.gz DUFOMCWIELTJRV-YLJYHZDGSA-N 2 2 320.440 3.630 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387949 1024423421 /nfs/dbraw/zinc/42/34/21/1024423421.db2.gz IXVKZIYOMUUJJR-LPHOPBHVSA-N 2 2 320.440 3.933 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1F ZINC000925778718 1024433895 /nfs/dbraw/zinc/43/38/95/1024433895.db2.gz UXCVKRXWTYLWHN-ZWNOBZJWSA-N 2 2 320.786 3.765 20 0 DHADLP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)O2)cc1 ZINC000883429234 1024434066 /nfs/dbraw/zinc/43/40/66/1024434066.db2.gz POAOURHKCABDON-WTGUMLROSA-N 2 2 314.473 3.513 20 0 DHADLP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)O2)cc1 ZINC000883429234 1024434070 /nfs/dbraw/zinc/43/40/70/1024434070.db2.gz POAOURHKCABDON-WTGUMLROSA-N 2 2 314.473 3.513 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1F ZINC000925778697 1024434793 /nfs/dbraw/zinc/43/47/93/1024434793.db2.gz UXCVKRXWTYLWHN-GWCFXTLKSA-N 2 2 320.786 3.765 20 0 DHADLP C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453424152 1024518684 /nfs/dbraw/zinc/51/86/84/1024518684.db2.gz NIVDPOUWGCLEBF-CYBMUJFWSA-N 2 2 305.372 3.958 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000759968727 1024627713 /nfs/dbraw/zinc/62/77/13/1024627713.db2.gz YGDIEQGNJRPHBX-OAHLLOKOSA-N 2 2 317.864 3.804 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000759968727 1024627727 /nfs/dbraw/zinc/62/77/27/1024627727.db2.gz YGDIEQGNJRPHBX-OAHLLOKOSA-N 2 2 317.864 3.804 20 0 DHADLP C[NH+](C)CCC1CC[NH+](Cc2ccc(Cl)nc2Cl)CC1 ZINC000283391202 1024655968 /nfs/dbraw/zinc/65/59/68/1024655968.db2.gz DJDXPCJRHDQQRL-UHFFFAOYSA-N 2 2 316.276 3.552 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)nc1 ZINC000760158610 1024676252 /nfs/dbraw/zinc/67/62/52/1024676252.db2.gz VRUVHESTESPMKP-OCCSQVGLSA-N 2 2 306.841 3.697 20 0 DHADLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(OC(F)F)cc1C ZINC000349357387 1024706585 /nfs/dbraw/zinc/70/65/85/1024706585.db2.gz WVSQQDALXMNMOK-UHFFFAOYSA-N 2 2 323.387 3.623 20 0 DHADLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(OC(F)F)cc1C ZINC000349357387 1024706595 /nfs/dbraw/zinc/70/65/95/1024706595.db2.gz WVSQQDALXMNMOK-UHFFFAOYSA-N 2 2 323.387 3.623 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000349411722 1024716267 /nfs/dbraw/zinc/71/62/67/1024716267.db2.gz AIIVUETZPOXEMQ-UHFFFAOYSA-N 2 2 306.347 3.618 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000349411722 1024716281 /nfs/dbraw/zinc/71/62/81/1024716281.db2.gz AIIVUETZPOXEMQ-UHFFFAOYSA-N 2 2 306.347 3.618 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C12CCCC2 ZINC000321335980 1024821865 /nfs/dbraw/zinc/82/18/65/1024821865.db2.gz QLFAXVSPBNUUEX-YESZJQIVSA-N 2 2 319.493 3.625 20 0 DHADLP C[C@H](Cc1ccoc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000648462624 1024849446 /nfs/dbraw/zinc/84/94/46/1024849446.db2.gz VHOHAUQYIUNHBV-QAPCUYQASA-N 2 2 309.413 3.518 20 0 DHADLP Cc1[nH+]cn([C@H]2CC[C@@H](c3ccccc3)C2)c1CSCC[NH3+] ZINC001172554699 1033249874 /nfs/dbraw/zinc/24/98/74/1033249874.db2.gz ZXJATFHPLDQODU-SJORKVTESA-N 2 2 315.486 3.892 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+]CC2(C)CCC2)CCOCC1)c1ccccc1 ZINC000434756414 1024945735 /nfs/dbraw/zinc/94/57/35/1024945735.db2.gz MWTSXTBPOVSTBO-QGZVFWFLSA-N 2 2 316.489 3.666 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CS1 ZINC000877130839 1033248479 /nfs/dbraw/zinc/24/84/79/1033248479.db2.gz OPTNEJUPVXNVJI-ZBFHGGJFSA-N 2 2 319.518 3.523 20 0 DHADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@H]1CC1(F)F ZINC000877130782 1033249438 /nfs/dbraw/zinc/24/94/38/1033249438.db2.gz NYMWOKNGZUTJLG-SUMWQHHRSA-N 2 2 323.431 3.673 20 0 DHADLP C[C@H]1CC[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000793346103 1024985166 /nfs/dbraw/zinc/98/51/66/1024985166.db2.gz BKNMRTHIGBZEPR-IRXDYDNUSA-N 2 2 315.505 3.747 20 0 DHADLP Clc1ccc(Oc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204674870 1025030655 /nfs/dbraw/zinc/03/06/55/1025030655.db2.gz HBESRKAFSSMBOM-UHFFFAOYSA-N 2 2 316.832 3.928 20 0 DHADLP Clc1ccc(Oc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204674870 1025030667 /nfs/dbraw/zinc/03/06/67/1025030667.db2.gz HBESRKAFSSMBOM-UHFFFAOYSA-N 2 2 316.832 3.928 20 0 DHADLP Cc1sccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000353355104 1025038295 /nfs/dbraw/zinc/03/82/95/1025038295.db2.gz SFYLVNFVXWPUCN-MRXNPFEDSA-N 2 2 315.486 3.969 20 0 DHADLP Cc1sccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000353355104 1025038305 /nfs/dbraw/zinc/03/83/05/1025038305.db2.gz SFYLVNFVXWPUCN-MRXNPFEDSA-N 2 2 315.486 3.969 20 0 DHADLP FCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000353437961 1025067166 /nfs/dbraw/zinc/06/71/66/1025067166.db2.gz SWGXBFAEQCWSPA-QZTJIDSGSA-N 2 2 301.409 3.549 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000321674620 1025117520 /nfs/dbraw/zinc/11/75/20/1025117520.db2.gz ILOMBDDEQQZMJJ-DYVFJYSZSA-N 2 2 319.424 3.796 20 0 DHADLP c1ccc([C@@H]2CC[C@H](N(c3cccc[nH+]3)C3CC[NH2+]CC3)C2)cc1 ZINC001172568873 1033265439 /nfs/dbraw/zinc/26/54/39/1033265439.db2.gz OMIXDOGYWBNXKU-QUCCMNQESA-N 2 2 321.468 3.976 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353607523 1025148797 /nfs/dbraw/zinc/14/87/97/1025148797.db2.gz ABTKROWFHGQBTL-INIZCTEOSA-N 2 2 321.424 3.641 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353607523 1025148805 /nfs/dbraw/zinc/14/88/05/1025148805.db2.gz ABTKROWFHGQBTL-INIZCTEOSA-N 2 2 321.424 3.641 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000353630002 1025160498 /nfs/dbraw/zinc/16/04/98/1025160498.db2.gz LNQSMRMVQUZXCI-GDBMZVCRSA-N 2 2 315.848 3.978 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000353630006 1025166187 /nfs/dbraw/zinc/16/61/87/1025166187.db2.gz LNQSMRMVQUZXCI-GOEBONIOSA-N 2 2 315.848 3.978 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1OC(F)F ZINC000122855685 1025216195 /nfs/dbraw/zinc/21/61/95/1025216195.db2.gz AZDUQDPDAIXXRJ-GFCCVEGCSA-N 2 2 310.388 3.565 20 0 DHADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000777130861 1033268065 /nfs/dbraw/zinc/26/80/65/1033268065.db2.gz XDKAUUNRPGKHCO-IGOJGBNBSA-N 2 2 315.505 3.746 20 0 DHADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000354306198 1025401307 /nfs/dbraw/zinc/40/13/07/1025401307.db2.gz VAVJEUPLPASRDQ-LZLYRXPVSA-N 2 2 310.526 3.680 20 0 DHADLP Cc1coc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000886000266 1025434903 /nfs/dbraw/zinc/43/49/03/1025434903.db2.gz ZEAIXMAYBQUEJR-WMLDXEAASA-N 2 2 304.459 3.822 20 0 DHADLP Cc1coc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000886000266 1025434911 /nfs/dbraw/zinc/43/49/11/1025434911.db2.gz ZEAIXMAYBQUEJR-WMLDXEAASA-N 2 2 304.459 3.822 20 0 DHADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000126321547 1025509555 /nfs/dbraw/zinc/50/95/55/1025509555.db2.gz KEDYIQZQNKXVMV-WFXMLNOXSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000126321547 1025509563 /nfs/dbraw/zinc/50/95/63/1025509563.db2.gz KEDYIQZQNKXVMV-WFXMLNOXSA-N 2 2 323.484 3.951 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001137226301 1025544614 /nfs/dbraw/zinc/54/46/14/1025544614.db2.gz NSMUVPHVXNGXHE-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc3cccc(Cl)c3n2)CC1 ZINC001137226301 1025544636 /nfs/dbraw/zinc/54/46/36/1025544636.db2.gz NSMUVPHVXNGXHE-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP CCN(CC)[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000127583055 1025546015 /nfs/dbraw/zinc/54/60/15/1025546015.db2.gz BRSBZVUGMXRVOK-HOTGVXAUSA-N 2 2 314.477 3.562 20 0 DHADLP CC1(C)CC[C@H](CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)OC1 ZINC000897475773 1025631326 /nfs/dbraw/zinc/63/13/26/1025631326.db2.gz BMCMOOBNUGHDDP-OAHLLOKOSA-N 2 2 319.474 3.619 20 0 DHADLP COC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC(C)CC1 ZINC000355415274 1025714726 /nfs/dbraw/zinc/71/47/26/1025714726.db2.gz PBAGNVMBHUQVHZ-UHFFFAOYSA-N 2 2 319.474 3.619 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3cc(O)ccc3Cl)CC2)[nH+]c1C ZINC000886659973 1025765528 /nfs/dbraw/zinc/76/55/28/1025765528.db2.gz ZYXCONVWWDQGDZ-UHFFFAOYSA-N 2 2 319.836 3.765 20 0 DHADLP CSc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000356183630 1025975150 /nfs/dbraw/zinc/97/51/50/1025975150.db2.gz QCSJJHNAIXQFIT-UHFFFAOYSA-N 2 2 319.499 3.624 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cscc1C(F)(F)F ZINC000356302033 1026015147 /nfs/dbraw/zinc/01/51/47/1026015147.db2.gz MRQIBGLYCCQHNT-GWCFXTLKSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cscc1C(F)(F)F ZINC000356302033 1026015165 /nfs/dbraw/zinc/01/51/65/1026015165.db2.gz MRQIBGLYCCQHNT-GWCFXTLKSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cscc1C(F)(F)F ZINC000356302033 1026015183 /nfs/dbraw/zinc/01/51/83/1026015183.db2.gz MRQIBGLYCCQHNT-GWCFXTLKSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000356302033 1026015199 /nfs/dbraw/zinc/01/51/99/1026015199.db2.gz MRQIBGLYCCQHNT-GWCFXTLKSA-N 2 2 306.397 3.539 20 0 DHADLP CSC1(C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCC1 ZINC000356404334 1026038266 /nfs/dbraw/zinc/03/82/66/1026038266.db2.gz BEMDOFMMUOZLQW-SFHVURJKSA-N 2 2 318.530 3.772 20 0 DHADLP CSC1(C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000356404334 1026038286 /nfs/dbraw/zinc/03/82/86/1026038286.db2.gz BEMDOFMMUOZLQW-SFHVURJKSA-N 2 2 318.530 3.772 20 0 DHADLP COC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000089668208 1026060251 /nfs/dbraw/zinc/06/02/51/1026060251.db2.gz QWZWSDOFVCAHRU-OXJNMPFZSA-N 2 2 321.424 3.911 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000356889332 1026212889 /nfs/dbraw/zinc/21/28/89/1026212889.db2.gz FWCOREWYPKDRGI-OAHLLOKOSA-N 2 2 306.413 3.681 20 0 DHADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000808762637 1026380042 /nfs/dbraw/zinc/38/00/42/1026380042.db2.gz DUSWDXRIRWGZID-MRXNPFEDSA-N 2 2 311.429 3.620 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000513361136 1026485758 /nfs/dbraw/zinc/48/57/58/1026485758.db2.gz XITRNQJTRWUJAN-QGZVFWFLSA-N 2 2 308.416 3.806 20 0 DHADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c(F)c1 ZINC000421820510 1027057501 /nfs/dbraw/zinc/05/75/01/1027057501.db2.gz MPJHPLHYBZLDJE-LJQANCHMSA-N 2 2 318.436 3.502 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccncc2Cl)C1 ZINC000421835112 1027062593 /nfs/dbraw/zinc/06/25/93/1027062593.db2.gz MAYFIJPVEUXPDH-LSDHHAIUSA-N 2 2 309.885 3.754 20 0 DHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccncc2Cl)C1 ZINC000421835112 1027062597 /nfs/dbraw/zinc/06/25/97/1027062597.db2.gz MAYFIJPVEUXPDH-LSDHHAIUSA-N 2 2 309.885 3.754 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000295266332 1027166180 /nfs/dbraw/zinc/16/61/80/1027166180.db2.gz VGOPICNCUJOQHI-SJLPKXTDSA-N 2 2 316.489 3.807 20 0 DHADLP CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000272033024 1027206735 /nfs/dbraw/zinc/20/67/35/1027206735.db2.gz URHTZFMOXDPYBI-PKOBYXMFSA-N 2 2 313.445 3.556 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccn1 ZINC000573060449 1027257851 /nfs/dbraw/zinc/25/78/51/1027257851.db2.gz QULVKBGQKWSABH-GJZGRUSLSA-N 2 2 322.412 3.688 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422759169 1027307679 /nfs/dbraw/zinc/30/76/79/1027307679.db2.gz FONOTAJVUUKOQS-VQTJNVASSA-N 2 2 309.457 3.759 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)cc2)cs1 ZINC000422807754 1027332427 /nfs/dbraw/zinc/33/24/27/1027332427.db2.gz PJNRZISGMQVZEI-GDZNZVCISA-N 2 2 315.486 3.767 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000573885550 1027338271 /nfs/dbraw/zinc/33/82/71/1027338271.db2.gz LIHKSCQTGBNSFI-AYYGCFCKSA-N 2 2 324.415 3.623 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000573885550 1027338285 /nfs/dbraw/zinc/33/82/85/1027338285.db2.gz LIHKSCQTGBNSFI-AYYGCFCKSA-N 2 2 324.415 3.623 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(COCc2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000422856559 1027343286 /nfs/dbraw/zinc/34/32/86/1027343286.db2.gz GHNBNJGBQOWLMF-DYESRHJHSA-N 2 2 324.468 3.634 20 0 DHADLP C[C@H]([NH2+]CCc1nc(C2CCCCC2)cs1)[C@H]1CCCC[NH2+]1 ZINC000422906658 1027356993 /nfs/dbraw/zinc/35/69/93/1027356993.db2.gz ABEIPJGARLISRW-GOEBONIOSA-N 2 2 321.534 3.854 20 0 DHADLP C[C@@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000422982272 1027384973 /nfs/dbraw/zinc/38/49/73/1027384973.db2.gz QDMCPRCAZULNJT-HYVNUMGLSA-N 2 2 300.471 3.762 20 0 DHADLP C[C@@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)[C@H]1CCC[NH2+]1 ZINC000422982271 1027386052 /nfs/dbraw/zinc/38/60/52/1027386052.db2.gz QDMCPRCAZULNJT-DJIMGWMZSA-N 2 2 300.471 3.762 20 0 DHADLP CCCCCn1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(C)n1 ZINC000423024343 1027394076 /nfs/dbraw/zinc/39/40/76/1027394076.db2.gz LNGNIMOAJYFXTF-OALUTQOASA-N 2 2 312.461 3.616 20 0 DHADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423181134 1027442144 /nfs/dbraw/zinc/44/21/44/1027442144.db2.gz FRPUTVUOFDISNT-DLBZAZTESA-N 2 2 300.471 3.682 20 0 DHADLP [NH3+]CC[NH2+][C@@H](c1sccc1Br)C1CCCCC1 ZINC000423178382 1027443038 /nfs/dbraw/zinc/44/30/38/1027443038.db2.gz FSUFNGBSPXHOLO-GFCCVEGCSA-N 2 2 317.296 3.680 20 0 DHADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1csc(Cl)c1 ZINC000423191632 1027449192 /nfs/dbraw/zinc/44/91/92/1027449192.db2.gz TWOWACIBSRKQNJ-LBPRGKRZSA-N 2 2 309.866 3.627 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423212057 1027449824 /nfs/dbraw/zinc/44/98/24/1027449824.db2.gz LNBRSYFTFWNPGW-QWHCGFSZSA-N 2 2 319.449 3.599 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(SCC(F)(F)F)cc1 ZINC000423197006 1027451947 /nfs/dbraw/zinc/45/19/47/1027451947.db2.gz XGVRKFZNTSDJMP-DGCLKSJQSA-N 2 2 318.408 3.744 20 0 DHADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000423236004 1027455190 /nfs/dbraw/zinc/45/51/90/1027455190.db2.gz HBPHYTOZXGPORC-BLLLJJGKSA-N 2 2 324.346 3.936 20 0 DHADLP Fc1ccc(/C=C\C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000575162827 1027459133 /nfs/dbraw/zinc/45/91/33/1027459133.db2.gz LQWVDVMZLAKXDV-CHYADLBTSA-N 2 2 320.427 3.786 20 0 DHADLP Fc1ccc(/C=C\C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000575162827 1027459138 /nfs/dbraw/zinc/45/91/38/1027459138.db2.gz LQWVDVMZLAKXDV-CHYADLBTSA-N 2 2 320.427 3.786 20 0 DHADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000423239306 1027460288 /nfs/dbraw/zinc/46/02/88/1027460288.db2.gz JTOYLJGXAORQAX-LRDDRELGSA-N 2 2 324.346 3.936 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423238843 1027460307 /nfs/dbraw/zinc/46/03/07/1027460307.db2.gz JQDLANYILDMZMM-GUYCJALGSA-N 2 2 322.374 3.926 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OCc2ccccc2)cc1 ZINC000423231372 1027468658 /nfs/dbraw/zinc/46/86/58/1027468658.db2.gz GJNYMNVZTFQITR-VQIMIIECSA-N 2 2 310.441 3.668 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000575305124 1027470683 /nfs/dbraw/zinc/47/06/83/1027470683.db2.gz XEDNNBRWYUTBCD-KXBFYZLASA-N 2 2 304.453 3.753 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000575305124 1027470694 /nfs/dbraw/zinc/47/06/94/1027470694.db2.gz XEDNNBRWYUTBCD-KXBFYZLASA-N 2 2 304.453 3.753 20 0 DHADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(Br)c1 ZINC000423242534 1027473016 /nfs/dbraw/zinc/47/30/16/1027473016.db2.gz MDRGNRRUOAEHBF-LRDDRELGSA-N 2 2 319.246 3.800 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc2cc(Br)ccc2o1 ZINC000423289723 1027481701 /nfs/dbraw/zinc/48/17/01/1027481701.db2.gz XWKXPPRPJUKHLD-SECBINFHSA-N 2 2 311.223 3.583 20 0 DHADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000423269098 1027490748 /nfs/dbraw/zinc/49/07/48/1027490748.db2.gz GMXURNFZCZXDOU-IIBYNOLFSA-N 2 2 319.452 3.769 20 0 DHADLP c1cncc([C@@H]([NH2+]CC[NH2+]C2CCCCCC2)C2CCC2)c1 ZINC000423278966 1027493159 /nfs/dbraw/zinc/49/31/59/1027493159.db2.gz QPFJCZSHLSFCDD-IBGZPJMESA-N 2 2 301.478 3.825 20 0 DHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423321427 1027500998 /nfs/dbraw/zinc/50/09/98/1027500998.db2.gz HKNYYLBDDDIAKU-ZJUUUORDSA-N 2 2 309.866 3.770 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(SCC(F)F)cc1 ZINC000423366247 1027524520 /nfs/dbraw/zinc/52/45/20/1027524520.db2.gz QBKWRXJGIUHXAM-SLEUVZQESA-N 2 2 314.445 3.692 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000423377145 1027526941 /nfs/dbraw/zinc/52/69/41/1027526941.db2.gz JWFJZCJVXCDNEY-VXGBXAGGSA-N 2 2 302.434 3.692 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423389345 1027531363 /nfs/dbraw/zinc/53/13/63/1027531363.db2.gz JJKKDBKBYUMTKF-PWIZWCRZSA-N 2 2 312.457 3.634 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000576129427 1027568693 /nfs/dbraw/zinc/56/86/93/1027568693.db2.gz DYXQDGAAQWFRNH-QGZVFWFLSA-N 2 2 304.384 3.976 20 0 DHADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)sc1Br ZINC000423572773 1027588545 /nfs/dbraw/zinc/58/85/45/1027588545.db2.gz YRRJYYOKZSKOMB-GHMZBOCLSA-N 2 2 317.296 3.612 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000363459114 1027641606 /nfs/dbraw/zinc/64/16/06/1027641606.db2.gz HIBUSHALLLWDAW-RDJZCZTQSA-N 2 2 313.445 3.839 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000363459114 1027641611 /nfs/dbraw/zinc/64/16/11/1027641611.db2.gz HIBUSHALLLWDAW-RDJZCZTQSA-N 2 2 313.445 3.839 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000363459114 1027641613 /nfs/dbraw/zinc/64/16/13/1027641613.db2.gz HIBUSHALLLWDAW-RDJZCZTQSA-N 2 2 313.445 3.839 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000363459114 1027641618 /nfs/dbraw/zinc/64/16/18/1027641618.db2.gz HIBUSHALLLWDAW-RDJZCZTQSA-N 2 2 313.445 3.839 20 0 DHADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCc1c(Cl)cccc1Cl ZINC000576766528 1027656689 /nfs/dbraw/zinc/65/66/89/1027656689.db2.gz YUOPPHLQHXLVCN-NWDGAFQWSA-N 2 2 301.261 3.738 20 0 DHADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1c(Cl)cccc1Cl ZINC000576766528 1027656697 /nfs/dbraw/zinc/65/66/97/1027656697.db2.gz YUOPPHLQHXLVCN-NWDGAFQWSA-N 2 2 301.261 3.738 20 0 DHADLP Cc1cc(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)c(C)s1 ZINC000363604927 1027690947 /nfs/dbraw/zinc/69/09/47/1027690947.db2.gz ADGDSGLPNFWKEN-UHFFFAOYSA-N 2 2 315.486 3.861 20 0 DHADLP Cc1cc(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)c(C)s1 ZINC000363604927 1027690959 /nfs/dbraw/zinc/69/09/59/1027690959.db2.gz ADGDSGLPNFWKEN-UHFFFAOYSA-N 2 2 315.486 3.861 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cc(C)ccc1F ZINC000577346014 1027753837 /nfs/dbraw/zinc/75/38/37/1027753837.db2.gz ZHAKJRDJGSXFEZ-UHFFFAOYSA-N 2 2 324.403 3.655 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1cc(C)ccc1F ZINC000577346014 1027753854 /nfs/dbraw/zinc/75/38/54/1027753854.db2.gz ZHAKJRDJGSXFEZ-UHFFFAOYSA-N 2 2 324.403 3.655 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCc2cccnc21 ZINC000364306316 1027811130 /nfs/dbraw/zinc/81/11/30/1027811130.db2.gz FJGOHWUMJKCWRK-IBGZPJMESA-N 2 2 318.424 3.777 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCc2cccnc21 ZINC000364306316 1027811150 /nfs/dbraw/zinc/81/11/50/1027811150.db2.gz FJGOHWUMJKCWRK-IBGZPJMESA-N 2 2 318.424 3.777 20 0 DHADLP c1ccc(-c2cccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)c2)nc1 ZINC000527807107 1027892338 /nfs/dbraw/zinc/89/23/38/1027892338.db2.gz MNDDFVHNGKCONF-FQEVSTJZSA-N 2 2 321.468 3.855 20 0 DHADLP c1ccc(-c2cccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)c2)nc1 ZINC000527807107 1027892356 /nfs/dbraw/zinc/89/23/56/1027892356.db2.gz MNDDFVHNGKCONF-FQEVSTJZSA-N 2 2 321.468 3.855 20 0 DHADLP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000527846395 1027908171 /nfs/dbraw/zinc/90/81/71/1027908171.db2.gz FSPUAKSAUXWZOA-IXDOHACOSA-N 2 2 308.828 3.683 20 0 DHADLP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000527846395 1027908187 /nfs/dbraw/zinc/90/81/87/1027908187.db2.gz FSPUAKSAUXWZOA-IXDOHACOSA-N 2 2 308.828 3.683 20 0 DHADLP Fc1cccc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C2)c1 ZINC000528001189 1028024350 /nfs/dbraw/zinc/02/43/50/1028024350.db2.gz LVFIGEUSPUMURA-GXOAENINSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1cccc(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C2)c1 ZINC000528001189 1028024365 /nfs/dbraw/zinc/02/43/65/1028024365.db2.gz LVFIGEUSPUMURA-GXOAENINSA-N 2 2 302.437 3.678 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(OC(F)F)c1 ZINC000528013378 1028042021 /nfs/dbraw/zinc/04/20/21/1028042021.db2.gz RNMGLJDBDKBTSP-XJKSGUPXSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(OC(F)F)c1 ZINC000528013378 1028042038 /nfs/dbraw/zinc/04/20/38/1028042038.db2.gz RNMGLJDBDKBTSP-XJKSGUPXSA-N 2 2 324.415 3.956 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc3c(c1)CCC3)CCC2 ZINC000366211328 1028061286 /nfs/dbraw/zinc/06/12/86/1028061286.db2.gz RVPTYSYFJOMFHB-KXBFYZLASA-N 2 2 309.457 3.908 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc3ccccc3n1)CCC2 ZINC000366226501 1028065832 /nfs/dbraw/zinc/06/58/32/1028065832.db2.gz AUYKEDZHDVUSQV-DOTOQJQBSA-N 2 2 320.440 3.968 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c(C)s1 ZINC000366217201 1028066770 /nfs/dbraw/zinc/06/67/70/1028066770.db2.gz DXWAMYRLAGHBMI-ZVZYQTTQSA-N 2 2 322.518 3.516 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000366229957 1028068987 /nfs/dbraw/zinc/06/89/87/1028068987.db2.gz JZVWCCWWSVIDGA-RDJZCZTQSA-N 2 2 313.445 3.818 20 0 DHADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366427419 1028077567 /nfs/dbraw/zinc/07/75/67/1028077567.db2.gz BVPRHCYWTDFROB-TVPLGVNVSA-N 2 2 314.473 3.815 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1cccnc1)C1CCC1)CCC2 ZINC000366492125 1028088065 /nfs/dbraw/zinc/08/80/65/1028088065.db2.gz UKIHJIYIKVJTML-ROUUACIJSA-N 2 2 310.445 3.595 20 0 DHADLP Cc1c[nH+]cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1C ZINC001170751412 1028092928 /nfs/dbraw/zinc/09/29/28/1028092928.db2.gz FVJGNBPHYWJUCZ-IBGZPJMESA-N 2 2 309.457 3.817 20 0 DHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578263358 1028104538 /nfs/dbraw/zinc/10/45/38/1028104538.db2.gz ASMDZMFUNXBNBE-KYVUIXNKSA-N 2 2 320.427 3.642 20 0 DHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578263358 1028104548 /nfs/dbraw/zinc/10/45/48/1028104548.db2.gz ASMDZMFUNXBNBE-KYVUIXNKSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578263358 1028104556 /nfs/dbraw/zinc/10/45/56/1028104556.db2.gz ASMDZMFUNXBNBE-KYVUIXNKSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578263358 1028104560 /nfs/dbraw/zinc/10/45/60/1028104560.db2.gz ASMDZMFUNXBNBE-KYVUIXNKSA-N 2 2 320.427 3.642 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCC12CCOCC2)c1ccccc1 ZINC000367057501 1028130026 /nfs/dbraw/zinc/13/00/26/1028130026.db2.gz KEQXIIACKPPFJS-AEFFLSMTSA-N 2 2 316.489 3.665 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc12 ZINC000367999521 1028273989 /nfs/dbraw/zinc/27/39/89/1028273989.db2.gz WKSMULYWFNVALG-KBPBESRZSA-N 2 2 321.424 3.780 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000449024947 1028294661 /nfs/dbraw/zinc/29/46/61/1028294661.db2.gz AJXGAIWOOZMWRG-KXBFYZLASA-N 2 2 312.457 3.763 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000449024947 1028294678 /nfs/dbraw/zinc/29/46/78/1028294678.db2.gz AJXGAIWOOZMWRG-KXBFYZLASA-N 2 2 312.457 3.763 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449024947 1028294695 /nfs/dbraw/zinc/29/46/95/1028294695.db2.gz AJXGAIWOOZMWRG-KXBFYZLASA-N 2 2 312.457 3.763 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449024947 1028294711 /nfs/dbraw/zinc/29/47/11/1028294711.db2.gz AJXGAIWOOZMWRG-KXBFYZLASA-N 2 2 312.457 3.763 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000368101767 1028298765 /nfs/dbraw/zinc/29/87/65/1028298765.db2.gz LEMNZPUJZHWSPO-XUJVJEKNSA-N 2 2 303.837 3.702 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C2 ZINC000368105333 1028302125 /nfs/dbraw/zinc/30/21/25/1028302125.db2.gz QPMNKZKXTXCALI-QGZVFWFLSA-N 2 2 303.409 3.646 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000579186068 1028343303 /nfs/dbraw/zinc/34/33/03/1028343303.db2.gz IZKBRXUKYAMSSY-GASCZTMLSA-N 2 2 301.459 3.507 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000579186068 1028343320 /nfs/dbraw/zinc/34/33/20/1028343320.db2.gz IZKBRXUKYAMSSY-GASCZTMLSA-N 2 2 301.459 3.507 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1cncc(F)c1 ZINC000368446175 1028356182 /nfs/dbraw/zinc/35/61/82/1028356182.db2.gz UWEZXKZJJUWFNT-CYBMUJFWSA-N 2 2 319.449 3.597 20 0 DHADLP CC(C)COc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000579300727 1028374048 /nfs/dbraw/zinc/37/40/48/1028374048.db2.gz XAAHBZAVJVQNAK-WMZOPIPTSA-N 2 2 304.478 3.636 20 0 DHADLP CC(C)COc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000579300727 1028374067 /nfs/dbraw/zinc/37/40/67/1028374067.db2.gz XAAHBZAVJVQNAK-WMZOPIPTSA-N 2 2 304.478 3.636 20 0 DHADLP CC(C)COc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000579300727 1028374085 /nfs/dbraw/zinc/37/40/85/1028374085.db2.gz XAAHBZAVJVQNAK-WMZOPIPTSA-N 2 2 304.478 3.636 20 0 DHADLP CC(C)COc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000579300727 1028374101 /nfs/dbraw/zinc/37/41/01/1028374101.db2.gz XAAHBZAVJVQNAK-WMZOPIPTSA-N 2 2 304.478 3.636 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cccc(F)c1F)CCC2 ZINC000368593423 1028381464 /nfs/dbraw/zinc/38/14/64/1028381464.db2.gz PPVKSLRCXSYAGS-OLZOCXBDSA-N 2 2 305.372 3.698 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000449152483 1028404984 /nfs/dbraw/zinc/40/49/84/1028404984.db2.gz FXOULAUDBPZYBP-JZXOWHBKSA-N 2 2 310.526 3.680 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccco2)[C@@H]1c1cccc(Cl)c1 ZINC000369336767 1028474458 /nfs/dbraw/zinc/47/44/58/1028474458.db2.gz CSFWXPGBNUKKFF-PBHICJAKSA-N 2 2 304.821 3.716 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]Cc2ccco2)[C@@H]1c1cccc(Cl)c1 ZINC000369336767 1028474467 /nfs/dbraw/zinc/47/44/67/1028474467.db2.gz CSFWXPGBNUKKFF-PBHICJAKSA-N 2 2 304.821 3.716 20 0 DHADLP Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000449259427 1028482526 /nfs/dbraw/zinc/48/25/26/1028482526.db2.gz QWGRQVOGZQQUSF-DJIMGWMZSA-N 2 2 315.848 3.777 20 0 DHADLP C[N@H+](Cc1sccc1Cl)C1CCN(c2cccc[nH+]2)CC1 ZINC000369484769 1028494352 /nfs/dbraw/zinc/49/43/52/1028494352.db2.gz OCJMMEKAORASOK-UHFFFAOYSA-N 2 2 321.877 3.897 20 0 DHADLP C[N@@H+](Cc1sccc1Cl)C1CCN(c2cccc[nH+]2)CC1 ZINC000369484769 1028494361 /nfs/dbraw/zinc/49/43/61/1028494361.db2.gz OCJMMEKAORASOK-UHFFFAOYSA-N 2 2 321.877 3.897 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccsc3)[C@@H](C)C2)s1 ZINC000369590180 1028505719 /nfs/dbraw/zinc/50/57/19/1028505719.db2.gz DXSVBGXBOSLVFJ-BLLLJJGKSA-N 2 2 321.515 3.513 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccsc3)[C@@H](C)C2)s1 ZINC000369590180 1028505729 /nfs/dbraw/zinc/50/57/29/1028505729.db2.gz DXSVBGXBOSLVFJ-BLLLJJGKSA-N 2 2 321.515 3.513 20 0 DHADLP Cc1cscc1C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000369646905 1028512874 /nfs/dbraw/zinc/51/28/74/1028512874.db2.gz JLTJRWVKPUGHMO-UHFFFAOYSA-N 2 2 321.515 3.569 20 0 DHADLP Cc1cscc1C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000369646905 1028512888 /nfs/dbraw/zinc/51/28/88/1028512888.db2.gz JLTJRWVKPUGHMO-UHFFFAOYSA-N 2 2 321.515 3.569 20 0 DHADLP c1cn(CCCS[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000564965813 1028522334 /nfs/dbraw/zinc/52/23/34/1028522334.db2.gz MCEUKRBFPLCHOT-SFHVURJKSA-N 2 2 315.486 3.671 20 0 DHADLP c1cn(CCCS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000564965813 1028522341 /nfs/dbraw/zinc/52/23/41/1028522341.db2.gz MCEUKRBFPLCHOT-SFHVURJKSA-N 2 2 315.486 3.671 20 0 DHADLP COc1cccc2c(C[N@H+](C)CCCn3cc[nH+]c3)cccc12 ZINC000449325351 1028532750 /nfs/dbraw/zinc/53/27/50/1028532750.db2.gz MAUWLZXANXRFCR-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP COc1cccc2c(C[N@@H+](C)CCCn3cc[nH+]c3)cccc12 ZINC000449325351 1028532762 /nfs/dbraw/zinc/53/27/62/1028532762.db2.gz MAUWLZXANXRFCR-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP Cc1nnsc1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449337847 1028574097 /nfs/dbraw/zinc/57/40/97/1028574097.db2.gz SXLDPCPQVUCUAN-UHFFFAOYSA-N 2 2 324.538 3.615 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)cc1 ZINC000370056420 1028602119 /nfs/dbraw/zinc/60/21/19/1028602119.db2.gz QTPXVPIEJKJUAU-OAQYLSRUSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)cc1 ZINC000370056420 1028602127 /nfs/dbraw/zinc/60/21/27/1028602127.db2.gz QTPXVPIEJKJUAU-OAQYLSRUSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)cc1 ZINC000370056420 1028602132 /nfs/dbraw/zinc/60/21/32/1028602132.db2.gz QTPXVPIEJKJUAU-OAQYLSRUSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)cc1 ZINC000370056420 1028602137 /nfs/dbraw/zinc/60/21/37/1028602137.db2.gz QTPXVPIEJKJUAU-OAQYLSRUSA-N 2 2 321.468 3.570 20 0 DHADLP Cc1nc(NC2CC[NH+](Cc3ccsc3)CC2)c(C)c(C)[nH+]1 ZINC000370540434 1028615722 /nfs/dbraw/zinc/61/57/22/1028615722.db2.gz RYNFMDKSFNUGJY-UHFFFAOYSA-N 2 2 316.474 3.540 20 0 DHADLP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370724197 1028643560 /nfs/dbraw/zinc/64/35/60/1028643560.db2.gz XIWXCISOTSFEHT-BVBHFADKSA-N 2 2 303.494 3.879 20 0 DHADLP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370724197 1028643568 /nfs/dbraw/zinc/64/35/68/1028643568.db2.gz XIWXCISOTSFEHT-BVBHFADKSA-N 2 2 303.494 3.879 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccnc1Cl ZINC000371083065 1028668762 /nfs/dbraw/zinc/66/87/62/1028668762.db2.gz ZUBVFUXHNJTGMW-HNNXBMFYSA-N 2 2 318.852 3.720 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccnc1Cl ZINC000371083065 1028668769 /nfs/dbraw/zinc/66/87/69/1028668769.db2.gz ZUBVFUXHNJTGMW-HNNXBMFYSA-N 2 2 318.852 3.720 20 0 DHADLP COc1cccc([C@@H](C)[NH+]2CCC([N@@H+]3CCC[C@H]3C)CC2)c1 ZINC000372179732 1028818804 /nfs/dbraw/zinc/81/88/04/1028818804.db2.gz FEYIFKCXQIFZCC-HZPDHXFCSA-N 2 2 302.462 3.705 20 0 DHADLP COc1cccc([C@@H](C)[NH+]2CCC([N@H+]3CCC[C@H]3C)CC2)c1 ZINC000372179732 1028818821 /nfs/dbraw/zinc/81/88/21/1028818821.db2.gz FEYIFKCXQIFZCC-HZPDHXFCSA-N 2 2 302.462 3.705 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@@H]1c1ccccc1 ZINC000567255674 1028863626 /nfs/dbraw/zinc/86/36/26/1028863626.db2.gz JSMLYYVHQQMCTC-RTBURBONSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C[C@@H]1c1ccccc1 ZINC000567255674 1028863646 /nfs/dbraw/zinc/86/36/46/1028863646.db2.gz JSMLYYVHQQMCTC-RTBURBONSA-N 2 2 316.395 3.890 20 0 DHADLP CSc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000372590299 1028873326 /nfs/dbraw/zinc/87/33/26/1028873326.db2.gz VCMVYRBWFVBNSD-OAHLLOKOSA-N 2 2 301.459 3.581 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000568176311 1029019132 /nfs/dbraw/zinc/01/91/32/1029019132.db2.gz WKJLWOFCZCIIQP-AEGPPILISA-N 2 2 310.388 3.518 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000568176311 1029019150 /nfs/dbraw/zinc/01/91/50/1029019150.db2.gz WKJLWOFCZCIIQP-AEGPPILISA-N 2 2 310.388 3.518 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000568176311 1029019163 /nfs/dbraw/zinc/01/91/63/1029019163.db2.gz WKJLWOFCZCIIQP-AEGPPILISA-N 2 2 310.388 3.518 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000568176311 1029019178 /nfs/dbraw/zinc/01/91/78/1029019178.db2.gz WKJLWOFCZCIIQP-AEGPPILISA-N 2 2 310.388 3.518 20 0 DHADLP CCc1nc(C)c([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000373524623 1029069145 /nfs/dbraw/zinc/06/91/45/1029069145.db2.gz TZNCMMMJUNTTHS-LRVUVFPRSA-N 2 2 307.507 3.681 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(C3CC3)c2)cn1 ZINC000817407029 1029147939 /nfs/dbraw/zinc/14/79/39/1029147939.db2.gz BSGKEFHVADGNHF-UHFFFAOYSA-N 2 2 318.424 3.743 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1nccs1 ZINC000411880600 1029234412 /nfs/dbraw/zinc/23/44/12/1029234412.db2.gz JKADTSVBZNJMPR-HNNXBMFYSA-N 2 2 315.486 3.980 20 0 DHADLP C[C@@](Cc1ccccc1)([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000412094569 1029320347 /nfs/dbraw/zinc/32/03/47/1029320347.db2.gz KQGLNGRCQXPTPY-FQEVSTJZSA-N 2 2 305.425 3.631 20 0 DHADLP CC1CC[NH+](CC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170894245 1029352187 /nfs/dbraw/zinc/35/21/87/1029352187.db2.gz OVCLBWQRXZBNDY-MRXNPFEDSA-N 2 2 306.881 3.519 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000629542112 1029360866 /nfs/dbraw/zinc/36/08/66/1029360866.db2.gz YLQLWANRFZLPNF-RQJABVFESA-N 2 2 303.475 3.518 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629541827 1029365584 /nfs/dbraw/zinc/36/55/84/1029365584.db2.gz WWSVGMKQXYYUIJ-DVOMOZLQSA-N 2 2 315.486 3.910 20 0 DHADLP C(=C\c1ccccc1)\CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000450427435 1029458031 /nfs/dbraw/zinc/45/80/31/1029458031.db2.gz SNMJOKZNBTXSIU-AJWDXOCTSA-N 2 2 307.441 3.919 20 0 DHADLP C(=C\c1ccccc1)\CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000450427435 1029458037 /nfs/dbraw/zinc/45/80/37/1029458037.db2.gz SNMJOKZNBTXSIU-AJWDXOCTSA-N 2 2 307.441 3.919 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc(C)c1O ZINC000390552283 1029639137 /nfs/dbraw/zinc/63/91/37/1029639137.db2.gz DENCJNYPLZBOHV-FQEVSTJZSA-N 2 2 324.468 3.763 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc(C)c1O ZINC000390552283 1029639178 /nfs/dbraw/zinc/63/91/78/1029639178.db2.gz DENCJNYPLZBOHV-FQEVSTJZSA-N 2 2 324.468 3.763 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377282 1030021144 /nfs/dbraw/zinc/02/11/44/1030021144.db2.gz HWFGSAINXRSUKY-IAQYHMDHSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377282 1030021162 /nfs/dbraw/zinc/02/11/62/1030021162.db2.gz HWFGSAINXRSUKY-IAQYHMDHSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377282 1030021172 /nfs/dbraw/zinc/02/11/72/1030021172.db2.gz HWFGSAINXRSUKY-IAQYHMDHSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377282 1030021184 /nfs/dbraw/zinc/02/11/84/1030021184.db2.gz HWFGSAINXRSUKY-IAQYHMDHSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000290430409 1030046447 /nfs/dbraw/zinc/04/64/47/1030046447.db2.gz VAZUKZMAADMJQC-LRGNLBRXSA-N 2 2 324.468 3.534 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000290430409 1030046467 /nfs/dbraw/zinc/04/64/67/1030046467.db2.gz VAZUKZMAADMJQC-LRGNLBRXSA-N 2 2 324.468 3.534 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1csc(C(F)(F)F)c1 ZINC000924533429 1030116823 /nfs/dbraw/zinc/11/68/23/1030116823.db2.gz KJNLPDKVYZFXQH-SNVBAGLBSA-N 2 2 303.353 3.704 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924569805 1030123834 /nfs/dbraw/zinc/12/38/34/1030123834.db2.gz JWBRKWFMQGVQRE-JTQLQIEISA-N 2 2 306.397 3.902 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643641 1030138018 /nfs/dbraw/zinc/13/80/18/1030138018.db2.gz YPMKXUQWGMWQOV-BXUZGUMPSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643641 1030138024 /nfs/dbraw/zinc/13/80/24/1030138024.db2.gz YPMKXUQWGMWQOV-BXUZGUMPSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643641 1030138028 /nfs/dbraw/zinc/13/80/28/1030138028.db2.gz YPMKXUQWGMWQOV-BXUZGUMPSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643641 1030138035 /nfs/dbraw/zinc/13/80/35/1030138035.db2.gz YPMKXUQWGMWQOV-BXUZGUMPSA-N 2 2 318.433 3.507 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000924618373 1030141769 /nfs/dbraw/zinc/14/17/69/1030141769.db2.gz YVBFIAXNWGAUBH-HNNXBMFYSA-N 2 2 301.434 3.723 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000924618373 1030141779 /nfs/dbraw/zinc/14/17/79/1030141779.db2.gz YVBFIAXNWGAUBH-HNNXBMFYSA-N 2 2 301.434 3.723 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc2ccccc21 ZINC000924649045 1030148617 /nfs/dbraw/zinc/14/86/17/1030148617.db2.gz NZWPJZFDBCCAKF-GJZGRUSLSA-N 2 2 309.413 3.784 20 0 DHADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2cccnc2)c2cc(C)cc(C)c2)C1 ZINC000924704484 1030165707 /nfs/dbraw/zinc/16/57/07/1030165707.db2.gz FPFMSVXQMHGWPW-RXVVDRJESA-N 2 2 323.484 3.719 20 0 DHADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2cccnc2)c2cc(C)cc(C)c2)C1 ZINC000924704484 1030165712 /nfs/dbraw/zinc/16/57/12/1030165712.db2.gz FPFMSVXQMHGWPW-RXVVDRJESA-N 2 2 323.484 3.719 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)c2cccnc2)cc1 ZINC000924718531 1030170752 /nfs/dbraw/zinc/17/07/52/1030170752.db2.gz ZKAAZSMCMJKLEQ-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)c2ccccn2)cc1 ZINC000924717423 1030171043 /nfs/dbraw/zinc/17/10/43/1030171043.db2.gz UQXBSWOVNFJTLG-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP Cc1cccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccn2)c1 ZINC000924734172 1030174630 /nfs/dbraw/zinc/17/46/30/1030174630.db2.gz YRTYDDHVXNNFPQ-FQEVSTJZSA-N 2 2 320.440 3.746 20 0 DHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)S3)C2 ZINC000924885526 1030216545 /nfs/dbraw/zinc/21/65/45/1030216545.db2.gz FZHVKSMXJYQMHQ-FFHGMXDLSA-N 2 2 319.518 3.512 20 0 DHADLP c1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CCC2)nc1 ZINC000924926033 1030227699 /nfs/dbraw/zinc/22/76/99/1030227699.db2.gz JDZABTVLCMFKIY-LJQANCHMSA-N 2 2 310.445 3.800 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2cccnc2)c1 ZINC000925011771 1030248181 /nfs/dbraw/zinc/24/81/81/1030248181.db2.gz RGSLMLLEHRSIBH-WIYYLYMNSA-N 2 2 323.484 3.719 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2cccnc2)c1 ZINC000925011771 1030248197 /nfs/dbraw/zinc/24/81/97/1030248197.db2.gz RGSLMLLEHRSIBH-WIYYLYMNSA-N 2 2 323.484 3.719 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)c1ccccc1 ZINC000925177295 1030292288 /nfs/dbraw/zinc/29/22/88/1030292288.db2.gz BWHGEWVPNZQUQW-WZGPROSRSA-N 2 2 307.441 3.648 20 0 DHADLP C[C@H](CC[NH2+][C@H](C)c1ccns1)[N@H+](C)Cc1ccccc1 ZINC000925202193 1030302276 /nfs/dbraw/zinc/30/22/76/1030302276.db2.gz HAXPIWXJNRWRGH-HUUCEWRRSA-N 2 2 303.475 3.704 20 0 DHADLP C[C@H](CC[NH2+][C@H](C)c1ccns1)[N@@H+](C)Cc1ccccc1 ZINC000925202193 1030302291 /nfs/dbraw/zinc/30/22/91/1030302291.db2.gz HAXPIWXJNRWRGH-HUUCEWRRSA-N 2 2 303.475 3.704 20 0 DHADLP CC(C)Sc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000358081313 1030315684 /nfs/dbraw/zinc/31/56/84/1030315684.db2.gz UUCLLVUXQKGFHL-UHFFFAOYSA-N 2 2 303.475 3.906 20 0 DHADLP CC(C)Sc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000358081313 1030315704 /nfs/dbraw/zinc/31/57/04/1030315704.db2.gz UUCLLVUXQKGFHL-UHFFFAOYSA-N 2 2 303.475 3.906 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@H]3CSc4ccccc43)cc2)c[nH+]1 ZINC000358144419 1030342993 /nfs/dbraw/zinc/34/29/93/1030342993.db2.gz WKHOVZKVMQBELF-KRWDZBQOSA-N 2 2 307.422 3.809 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1nc(-c2ccccc2)cs1 ZINC000925591576 1030413453 /nfs/dbraw/zinc/41/34/53/1030413453.db2.gz CAWSUGLIHCATFO-RCBQFDQVSA-N 2 2 313.470 3.731 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1nc(-c2ccccc2)cs1 ZINC000925591575 1030414386 /nfs/dbraw/zinc/41/43/86/1030414386.db2.gz CAWSUGLIHCATFO-MAZHCROVSA-N 2 2 313.470 3.731 20 0 DHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171044520 1030469415 /nfs/dbraw/zinc/46/94/15/1030469415.db2.gz KYWXQYBNLBCIJT-MRXNPFEDSA-N 2 2 306.881 3.613 20 0 DHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171044520 1030469424 /nfs/dbraw/zinc/46/94/24/1030469424.db2.gz KYWXQYBNLBCIJT-MRXNPFEDSA-N 2 2 306.881 3.613 20 0 DHADLP COc1ccc([C@H]([NH2+]CC2(C)CC(F)(F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000925735028 1030469956 /nfs/dbraw/zinc/46/99/56/1030469956.db2.gz XJYUMWXPDZGGLL-CVEARBPZSA-N 2 2 324.415 3.513 20 0 DHADLP CSC1CC([NH2+]c2ccc(N(C)C3CC[NH+](C)CC3)cc2)C1 ZINC000925770164 1030487275 /nfs/dbraw/zinc/48/72/75/1030487275.db2.gz SZOOZELXNBWIPW-UHFFFAOYSA-N 2 2 319.518 3.523 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1Cl ZINC000925779442 1030494613 /nfs/dbraw/zinc/49/46/13/1030494613.db2.gz NNQQVRNNJNDLGY-UWVGGRQHSA-N 2 2 323.214 3.889 20 0 DHADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccccc1 ZINC000925840348 1030516342 /nfs/dbraw/zinc/51/63/42/1030516342.db2.gz VEZKYXLWTDBVRF-OKDNKWQNSA-N 2 2 316.395 3.713 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2ncsc2c1 ZINC000926213710 1030657109 /nfs/dbraw/zinc/65/71/09/1030657109.db2.gz JLYYSOHYWFWBST-YSVLISHTSA-N 2 2 315.486 3.964 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2ncsc2c1 ZINC000926213710 1030657114 /nfs/dbraw/zinc/65/71/14/1030657114.db2.gz JLYYSOHYWFWBST-YSVLISHTSA-N 2 2 315.486 3.964 20 0 DHADLP C[C@H](Cc1ccccn1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000926216369 1030658965 /nfs/dbraw/zinc/65/89/65/1030658965.db2.gz IYYMDDOADPTXFS-DYESRHJHSA-N 2 2 323.484 3.513 20 0 DHADLP C[C@H](Cc1ccccn1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000926216369 1030658969 /nfs/dbraw/zinc/65/89/69/1030658969.db2.gz IYYMDDOADPTXFS-DYESRHJHSA-N 2 2 323.484 3.513 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)[N@H+](C)C1CC1 ZINC000246904301 1030661712 /nfs/dbraw/zinc/66/17/12/1030661712.db2.gz FMTIHIUIOHSCMA-RDBSUJKOSA-N 2 2 317.502 3.861 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)[N@@H+](C)C1CC1 ZINC000246904301 1030661722 /nfs/dbraw/zinc/66/17/22/1030661722.db2.gz FMTIHIUIOHSCMA-RDBSUJKOSA-N 2 2 317.502 3.861 20 0 DHADLP CCSc1ccccc1C[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926223693 1030664920 /nfs/dbraw/zinc/66/49/20/1030664920.db2.gz CPTKIOXRINKBFC-ZBFHGGJFSA-N 2 2 315.486 3.531 20 0 DHADLP Cc1ncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000247068968 1030672879 /nfs/dbraw/zinc/67/28/79/1030672879.db2.gz URXWYTNSJNMMKG-ZBFHGGJFSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000247068968 1030672884 /nfs/dbraw/zinc/67/28/84/1030672884.db2.gz URXWYTNSJNMMKG-ZBFHGGJFSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)s1 ZINC000247068968 1030672887 /nfs/dbraw/zinc/67/28/87/1030672887.db2.gz URXWYTNSJNMMKG-ZBFHGGJFSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)s1 ZINC000247068968 1030672889 /nfs/dbraw/zinc/67/28/89/1030672889.db2.gz URXWYTNSJNMMKG-ZBFHGGJFSA-N 2 2 307.507 3.538 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000247972993 1030713062 /nfs/dbraw/zinc/71/30/62/1030713062.db2.gz JXGOBQBPMJHZKC-FXAWDEMLSA-N 2 2 313.489 3.772 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000247972993 1030713073 /nfs/dbraw/zinc/71/30/73/1030713073.db2.gz JXGOBQBPMJHZKC-FXAWDEMLSA-N 2 2 313.489 3.772 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000248052228 1030716658 /nfs/dbraw/zinc/71/66/58/1030716658.db2.gz WQSGENFARVBWET-WBVHZDCISA-N 2 2 300.446 3.507 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000248052228 1030716674 /nfs/dbraw/zinc/71/66/74/1030716674.db2.gz WQSGENFARVBWET-WBVHZDCISA-N 2 2 300.446 3.507 20 0 DHADLP C[N@H+](Cc1cncc(Cl)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001136998624 1030739381 /nfs/dbraw/zinc/73/93/81/1030739381.db2.gz AISBNSKEIYNSNF-UHFFFAOYSA-N 2 2 321.896 3.964 20 0 DHADLP C[N@@H+](Cc1cncc(Cl)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001136998624 1030739395 /nfs/dbraw/zinc/73/93/95/1030739395.db2.gz AISBNSKEIYNSNF-UHFFFAOYSA-N 2 2 321.896 3.964 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+]C[C@H](C)C[NH+](C)C)c2cccnc2)c1 ZINC000926475656 1030755136 /nfs/dbraw/zinc/75/51/36/1030755136.db2.gz VGXSJZYYZHRXLT-FXAWDEMLSA-N 2 2 311.473 3.575 20 0 DHADLP Cc1cccc2c1[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)CC2 ZINC000926579541 1030806051 /nfs/dbraw/zinc/80/60/51/1030806051.db2.gz GMRQZOGIYBSVFE-ZVDOUQERSA-N 2 2 321.468 3.660 20 0 DHADLP Cc1cccc2c1[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)CC2 ZINC000926579541 1030806068 /nfs/dbraw/zinc/80/60/68/1030806068.db2.gz GMRQZOGIYBSVFE-ZVDOUQERSA-N 2 2 321.468 3.660 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C(C)(C)O)cc1 ZINC000926677497 1030855691 /nfs/dbraw/zinc/85/56/91/1030855691.db2.gz YRLSTWJTZPQXQN-ZYSHUDEJSA-N 2 2 316.489 3.582 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C(C)(C)O)cc1 ZINC000926677497 1030855710 /nfs/dbraw/zinc/85/57/10/1030855710.db2.gz YRLSTWJTZPQXQN-ZYSHUDEJSA-N 2 2 316.489 3.582 20 0 DHADLP CC[C@H](C[C@](C)(O)CC)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926863310 1030959164 /nfs/dbraw/zinc/95/91/64/1030959164.db2.gz KHHMOZBAIZTZQY-CEXWTWQISA-N 2 2 315.461 3.544 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000359589538 1031050536 /nfs/dbraw/zinc/05/05/36/1031050536.db2.gz JNHNQJGIWBWDLF-HOCLYGCPSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000359589538 1031050555 /nfs/dbraw/zinc/05/05/55/1031050555.db2.gz JNHNQJGIWBWDLF-HOCLYGCPSA-N 2 2 308.853 3.628 20 0 DHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(Cl)c3Cl)C[C@@H]21 ZINC000261770377 1031060231 /nfs/dbraw/zinc/06/02/31/1031060231.db2.gz DQRUBGAALHJVIM-DVVUODLYSA-N 2 2 305.274 3.614 20 0 DHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(Cl)c3Cl)C[C@@H]21 ZINC000261770377 1031060247 /nfs/dbraw/zinc/06/02/47/1031060247.db2.gz DQRUBGAALHJVIM-DVVUODLYSA-N 2 2 305.274 3.614 20 0 DHADLP C[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143985143 1031130183 /nfs/dbraw/zinc/13/01/83/1031130183.db2.gz YGYYCJZPYZAPHO-UHFFFAOYSA-N 2 2 320.786 3.885 20 0 DHADLP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001143985143 1031130191 /nfs/dbraw/zinc/13/01/91/1031130191.db2.gz YGYYCJZPYZAPHO-UHFFFAOYSA-N 2 2 320.786 3.885 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000360041471 1031252721 /nfs/dbraw/zinc/25/27/21/1031252721.db2.gz XZSJOSXGLOYVPC-HZPDHXFCSA-N 2 2 306.413 3.684 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000533784600 1031283146 /nfs/dbraw/zinc/28/31/46/1031283146.db2.gz NNMVTGLENDVHCT-WMLDXEAASA-N 2 2 324.559 3.887 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000536660031 1031368674 /nfs/dbraw/zinc/36/86/74/1031368674.db2.gz UBFXRHCPMDWBTK-SUMWQHHRSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000536660031 1031368685 /nfs/dbraw/zinc/36/86/85/1031368685.db2.gz UBFXRHCPMDWBTK-SUMWQHHRSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000536660031 1031368697 /nfs/dbraw/zinc/36/86/97/1031368697.db2.gz UBFXRHCPMDWBTK-SUMWQHHRSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000536660031 1031368711 /nfs/dbraw/zinc/36/87/11/1031368711.db2.gz UBFXRHCPMDWBTK-SUMWQHHRSA-N 2 2 310.869 3.511 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000379656515 1031433940 /nfs/dbraw/zinc/43/39/40/1031433940.db2.gz PIYUJPJAOJOSGO-WMZOPIPTSA-N 2 2 312.457 3.985 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000379656515 1031433947 /nfs/dbraw/zinc/43/39/47/1031433947.db2.gz PIYUJPJAOJOSGO-WMZOPIPTSA-N 2 2 312.457 3.985 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCCOC1 ZINC000872090697 1031488280 /nfs/dbraw/zinc/48/82/80/1031488280.db2.gz CNWCKJVBHIZTFF-QRQLOZEOSA-N 2 2 308.510 3.578 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCCOC1 ZINC000872090697 1031488282 /nfs/dbraw/zinc/48/82/82/1031488282.db2.gz CNWCKJVBHIZTFF-QRQLOZEOSA-N 2 2 308.510 3.578 20 0 DHADLP CC(C)[N@H+](Cc1c[nH]c2nc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC001144418945 1031570928 /nfs/dbraw/zinc/57/09/28/1031570928.db2.gz WXNJWXUSEHMKJU-UHFFFAOYSA-N 2 2 320.868 3.521 20 0 DHADLP CC(C)[N@@H+](Cc1c[nH]c2nc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC001144418945 1031570938 /nfs/dbraw/zinc/57/09/38/1031570938.db2.gz WXNJWXUSEHMKJU-UHFFFAOYSA-N 2 2 320.868 3.521 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccncc1 ZINC000360897426 1031611499 /nfs/dbraw/zinc/61/14/99/1031611499.db2.gz XXPAHYYTTRUXMB-QGZVFWFLSA-N 2 2 310.376 3.647 20 0 DHADLP Cc1cccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000537457515 1031621236 /nfs/dbraw/zinc/62/12/36/1031621236.db2.gz HDVDHBZWFDWFIK-APWZRJJASA-N 2 2 324.472 3.703 20 0 DHADLP Fc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1F ZINC000361043763 1031693443 /nfs/dbraw/zinc/69/34/43/1031693443.db2.gz FUVLOHYFZJAAKA-UHFFFAOYSA-N 2 2 319.399 3.854 20 0 DHADLP c1cc2ccc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)cc2[nH]1 ZINC000930130177 1031706892 /nfs/dbraw/zinc/70/68/92/1031706892.db2.gz XYGBXAYNBJIKDP-UHFFFAOYSA-N 2 2 306.413 3.639 20 0 DHADLP CC(C)(C)c1csc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925498025 1031714264 /nfs/dbraw/zinc/71/42/64/1031714264.db2.gz AZCMWEYBKOQFKD-GJZGRUSLSA-N 2 2 321.534 3.699 20 0 DHADLP C=Cc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000361135719 1031748559 /nfs/dbraw/zinc/74/85/59/1031748559.db2.gz ILENIKNBQZMOIU-UHFFFAOYSA-N 2 2 303.409 3.848 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000361153763 1031758212 /nfs/dbraw/zinc/75/82/12/1031758212.db2.gz NJZGPUHRAMHADW-AUUYWEPGSA-N 2 2 300.446 3.839 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000873222579 1031762864 /nfs/dbraw/zinc/76/28/64/1031762864.db2.gz AHWWWLITJXTAIY-SUMDDJOVSA-N 2 2 310.441 3.839 20 0 DHADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCCC3)o2)CC1 ZINC001137072141 1031875577 /nfs/dbraw/zinc/87/55/77/1031875577.db2.gz SZFBVDMUWOZFJO-UHFFFAOYSA-N 2 2 319.493 3.576 20 0 DHADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCCC3)o2)CC1 ZINC001137072141 1031875588 /nfs/dbraw/zinc/87/55/88/1031875588.db2.gz SZFBVDMUWOZFJO-UHFFFAOYSA-N 2 2 319.493 3.576 20 0 DHADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@H]1C[C@H]1c1ccccc1 ZINC000361383144 1031898414 /nfs/dbraw/zinc/89/84/14/1031898414.db2.gz ZLJCVMQNGKGVKJ-XSDIEEQYSA-N 2 2 321.468 3.562 20 0 DHADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@H]1C[C@H]1c1ccccc1 ZINC000361383144 1031898419 /nfs/dbraw/zinc/89/84/19/1031898419.db2.gz ZLJCVMQNGKGVKJ-XSDIEEQYSA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)[C@H]1C[C@H]1c1ccccc1 ZINC000361383144 1031898434 /nfs/dbraw/zinc/89/84/34/1031898434.db2.gz ZLJCVMQNGKGVKJ-XSDIEEQYSA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)[C@H]1C[C@H]1c1ccccc1 ZINC000361383144 1031898446 /nfs/dbraw/zinc/89/84/46/1031898446.db2.gz ZLJCVMQNGKGVKJ-XSDIEEQYSA-N 2 2 321.468 3.562 20 0 DHADLP Cc1nc2ccc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc2s1 ZINC000897982746 1031909565 /nfs/dbraw/zinc/90/95/65/1031909565.db2.gz QRKCUEFRGJMSMB-UHFFFAOYSA-N 2 2 315.486 3.711 20 0 DHADLP Fc1ccc2oc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc2c1 ZINC000897981792 1031911716 /nfs/dbraw/zinc/91/17/16/1031911716.db2.gz QTUAFUQXDGOLFQ-UHFFFAOYSA-N 2 2 302.393 3.678 20 0 DHADLP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CC[C@H](C)C1 ZINC000361629601 1032023662 /nfs/dbraw/zinc/02/36/62/1032023662.db2.gz LGPCBPOCGSDVNI-LSDHHAIUSA-N 2 2 319.474 3.571 20 0 DHADLP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CC[C@H](C)C1 ZINC000361629601 1032023677 /nfs/dbraw/zinc/02/36/77/1032023677.db2.gz LGPCBPOCGSDVNI-LSDHHAIUSA-N 2 2 319.474 3.571 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1c3cc(F)ccc3C[C@H]1C)CCC2 ZINC000361665604 1032045298 /nfs/dbraw/zinc/04/52/98/1032045298.db2.gz YHQKKZSTQTWKJD-HNJNHCNJSA-N 2 2 313.420 3.731 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172659955 1033312128 /nfs/dbraw/zinc/31/21/28/1033312128.db2.gz CQZVOOHLALXSTQ-INIZCTEOSA-N 2 2 318.461 3.579 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172659955 1033312142 /nfs/dbraw/zinc/31/21/42/1033312142.db2.gz CQZVOOHLALXSTQ-INIZCTEOSA-N 2 2 318.461 3.579 20 0 DHADLP Cc1[nH+]cc2n1CC[N@H+](C1CCC(Cc3ccccc3)CC1)C2 ZINC001172822318 1033383719 /nfs/dbraw/zinc/38/37/19/1033383719.db2.gz NYBFUFXJKHMCPS-UHFFFAOYSA-N 2 2 309.457 3.809 20 0 DHADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC(Cc3ccccc3)CC1)C2 ZINC001172822318 1033383730 /nfs/dbraw/zinc/38/37/30/1033383730.db2.gz NYBFUFXJKHMCPS-UHFFFAOYSA-N 2 2 309.457 3.809 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)CC2 ZINC001172828470 1033393916 /nfs/dbraw/zinc/39/39/16/1033393916.db2.gz UCMVYELETHDWLE-LJQANCHMSA-N 2 2 322.452 3.791 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172868584 1033406489 /nfs/dbraw/zinc/40/64/89/1033406489.db2.gz IRGLVCPKCXSLNU-JSGCOSHPSA-N 2 2 321.827 3.946 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)CC2 ZINC001172843948 1033414995 /nfs/dbraw/zinc/41/49/95/1033414995.db2.gz VLWMQKLCFVZNST-FXAWDEMLSA-N 2 2 300.490 3.562 20 0 DHADLP C[C@H](Cc1c(F)cccc1Cl)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172859082 1033429520 /nfs/dbraw/zinc/42/95/20/1033429520.db2.gz YBCPVZSBKSBVGX-CHWSQXEVSA-N 2 2 321.827 3.946 20 0 DHADLP C[C@@H](Cc1c(F)cccc1Cl)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172859084 1033430229 /nfs/dbraw/zinc/43/02/29/1033430229.db2.gz YBCPVZSBKSBVGX-QWHCGFSZSA-N 2 2 321.827 3.946 20 0 DHADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000877795117 1033454813 /nfs/dbraw/zinc/45/48/13/1033454813.db2.gz ZWHZOMCONIVZAH-UHFFFAOYSA-N 2 2 314.473 3.557 20 0 DHADLP CO[C@@H]1CCC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172929656 1033475881 /nfs/dbraw/zinc/47/58/81/1033475881.db2.gz GFTOJTUDBASQOY-WOJBJXKFSA-N 2 2 316.489 3.540 20 0 DHADLP CO[C@@H]1CCC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172929656 1033475887 /nfs/dbraw/zinc/47/58/87/1033475887.db2.gz GFTOJTUDBASQOY-WOJBJXKFSA-N 2 2 316.489 3.540 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000152229838 1033508968 /nfs/dbraw/zinc/50/89/68/1033508968.db2.gz XPITVRMHTNRRRD-LJQANCHMSA-N 2 2 319.408 3.658 20 0 DHADLP CCCc1cc[nH+]c(Nc2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001212712909 1033580650 /nfs/dbraw/zinc/58/06/50/1033580650.db2.gz KEMDJWTWHWXRBN-UHFFFAOYSA-N 2 2 310.445 3.530 20 0 DHADLP C[NH+]1CCN(c2cccc(Nc3cccc(C4CCC4)[nH+]3)c2)CC1 ZINC001212712851 1033581353 /nfs/dbraw/zinc/58/13/53/1033581353.db2.gz GZRYCSAYYDVTAD-UHFFFAOYSA-N 2 2 322.456 3.845 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cncs2)cc1F ZINC000153706329 1033590798 /nfs/dbraw/zinc/59/07/98/1033590798.db2.gz QMQURTVHYGVSHZ-NSHDSACASA-N 2 2 316.405 3.627 20 0 DHADLP CC[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC001173263317 1033635823 /nfs/dbraw/zinc/63/58/23/1033635823.db2.gz JYTSZRDZPHOLHD-BYCMXARLSA-N 2 2 311.267 3.617 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000878345806 1033666015 /nfs/dbraw/zinc/66/60/15/1033666015.db2.gz XMZKEVNYGZYDLW-CRAIPNDOSA-N 2 2 311.429 3.625 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878396044 1033688624 /nfs/dbraw/zinc/68/86/24/1033688624.db2.gz GCUGJSKDLITSGI-CRAIPNDOSA-N 2 2 311.429 3.625 20 0 DHADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001173545624 1033763746 /nfs/dbraw/zinc/76/37/46/1033763746.db2.gz ZRAUMMRGNVOGID-JSGCOSHPSA-N 2 2 315.288 3.998 20 0 DHADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001173545624 1033763762 /nfs/dbraw/zinc/76/37/62/1033763762.db2.gz ZRAUMMRGNVOGID-JSGCOSHPSA-N 2 2 315.288 3.998 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)n1C ZINC000667530884 1033845128 /nfs/dbraw/zinc/84/51/28/1033845128.db2.gz OMWXMFNULINARQ-CYBMUJFWSA-N 2 2 321.827 3.728 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)n1C ZINC000667530884 1033845144 /nfs/dbraw/zinc/84/51/44/1033845144.db2.gz OMWXMFNULINARQ-CYBMUJFWSA-N 2 2 321.827 3.728 20 0 DHADLP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ncccc1Cl ZINC000924730319 1033950500 /nfs/dbraw/zinc/95/05/00/1033950500.db2.gz FAPQDBFNTBQONA-OAHLLOKOSA-N 2 2 306.841 3.843 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(C)o1 ZINC000119208962 1033972097 /nfs/dbraw/zinc/97/20/97/1033972097.db2.gz KVOXAEYYYBOXPN-UHFFFAOYSA-N 2 2 313.376 3.819 20 0 DHADLP FC(F)(F)Sc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000863481266 1034108985 /nfs/dbraw/zinc/10/89/85/1034108985.db2.gz AOGHABFCNTTXRV-CYBMUJFWSA-N 2 2 316.392 3.673 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(Cl)cn1 ZINC000480249896 1034154994 /nfs/dbraw/zinc/15/49/94/1034154994.db2.gz QPLWPTLFYMUGSX-QLFBSQMISA-N 2 2 309.885 3.754 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(Cl)cn1 ZINC000480249896 1034155001 /nfs/dbraw/zinc/15/50/01/1034155001.db2.gz QPLWPTLFYMUGSX-QLFBSQMISA-N 2 2 309.885 3.754 20 0 DHADLP Cc1cccc2[nH]c(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc21 ZINC000667671107 1034242717 /nfs/dbraw/zinc/24/27/17/1034242717.db2.gz ICUCBPCEROOKPJ-KRWDZBQOSA-N 2 2 311.473 3.784 20 0 DHADLP Cc1cccc2[nH]c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc21 ZINC000667671107 1034242722 /nfs/dbraw/zinc/24/27/22/1034242722.db2.gz ICUCBPCEROOKPJ-KRWDZBQOSA-N 2 2 311.473 3.784 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC000880286151 1034283086 /nfs/dbraw/zinc/28/30/86/1034283086.db2.gz UFUYKZXKSQIOJD-OAHLLOKOSA-N 2 2 319.399 3.509 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC000880286151 1034283096 /nfs/dbraw/zinc/28/30/96/1034283096.db2.gz UFUYKZXKSQIOJD-OAHLLOKOSA-N 2 2 319.399 3.509 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)nc1 ZINC000179119531 1034285615 /nfs/dbraw/zinc/28/56/15/1034285615.db2.gz NVQXRSBIQNJDJF-ZDUSSCGKSA-N 2 2 304.825 3.673 20 0 DHADLP FC(F)(F)c1ccccc1[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000179392492 1034305261 /nfs/dbraw/zinc/30/52/61/1034305261.db2.gz OMZAJSLBMLYRAB-HOCLYGCPSA-N 2 2 323.362 3.828 20 0 DHADLP CCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000880569253 1034362394 /nfs/dbraw/zinc/36/23/94/1034362394.db2.gz KEURXQTZCBEYEH-FQEVSTJZSA-N 2 2 321.424 3.813 20 0 DHADLP FC1(F)CC[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880568853 1034362524 /nfs/dbraw/zinc/36/25/24/1034362524.db2.gz FHUGACLHYBWODY-GDBMZVCRSA-N 2 2 305.372 3.649 20 0 DHADLP CC[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CC(F)F ZINC000880570245 1034362957 /nfs/dbraw/zinc/36/29/57/1034362957.db2.gz VDFFXCAYCKUDNV-GOEBONIOSA-N 2 2 307.388 3.895 20 0 DHADLP CCc1ccccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568576 1034364597 /nfs/dbraw/zinc/36/45/97/1034364597.db2.gz AAAZRZWHJHKAMY-HXUWFJFHSA-N 2 2 305.425 3.977 20 0 DHADLP Clc1ccc2sc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000339069901 1034387841 /nfs/dbraw/zinc/38/78/41/1034387841.db2.gz YNPUGUXAKZMINM-CHWSQXEVSA-N 2 2 321.877 3.666 20 0 DHADLP Clc1ccc2sc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000339069901 1034387852 /nfs/dbraw/zinc/38/78/52/1034387852.db2.gz YNPUGUXAKZMINM-CHWSQXEVSA-N 2 2 321.877 3.666 20 0 DHADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000480762351 1034439387 /nfs/dbraw/zinc/43/93/87/1034439387.db2.gz DQLKVAKIFFWQBY-INIZCTEOSA-N 2 2 316.445 3.566 20 0 DHADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000480762351 1034439390 /nfs/dbraw/zinc/43/93/90/1034439390.db2.gz DQLKVAKIFFWQBY-INIZCTEOSA-N 2 2 316.445 3.566 20 0 DHADLP Cc1cc(Nc2cc[nH+]c3cc(Br)ccc23)cc[nH+]1 ZINC001174652912 1034556819 /nfs/dbraw/zinc/55/68/19/1034556819.db2.gz IZCHCGCZFALSOO-UHFFFAOYSA-N 2 2 314.186 3.866 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCc2cc3ccccc3s2)C[N@@H+]1C1CC1 ZINC000555614678 1034835553 /nfs/dbraw/zinc/83/55/53/1034835553.db2.gz NZFZDOIJPNSTOR-DZGCQCFKSA-N 2 2 300.471 3.659 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCc2cc3ccccc3s2)C[N@H+]1C1CC1 ZINC000555614678 1034835565 /nfs/dbraw/zinc/83/55/65/1034835565.db2.gz NZFZDOIJPNSTOR-DZGCQCFKSA-N 2 2 300.471 3.659 20 0 DHADLP C[N@@H+]1CCC=C(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)C1 ZINC001175574495 1035047485 /nfs/dbraw/zinc/04/74/85/1035047485.db2.gz XXUDHJQLLBKGST-UHFFFAOYSA-N 2 2 307.319 3.885 20 0 DHADLP C[N@H+]1CCC=C(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)C1 ZINC001175574495 1035047489 /nfs/dbraw/zinc/04/74/89/1035047489.db2.gz XXUDHJQLLBKGST-UHFFFAOYSA-N 2 2 307.319 3.885 20 0 DHADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000567889898 1035063909 /nfs/dbraw/zinc/06/39/09/1035063909.db2.gz IUGJAOYBEMZMNU-RDJZCZTQSA-N 2 2 313.445 3.742 20 0 DHADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000482313567 1035082925 /nfs/dbraw/zinc/08/29/25/1035082925.db2.gz VFDGKKZAYGBZQG-IIAWOOMASA-N 2 2 314.395 3.685 20 0 DHADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000482313567 1035082930 /nfs/dbraw/zinc/08/29/30/1035082930.db2.gz VFDGKKZAYGBZQG-IIAWOOMASA-N 2 2 314.395 3.685 20 0 DHADLP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001206269174 1035234833 /nfs/dbraw/zinc/23/48/33/1035234833.db2.gz FDZZANWFDAGCRI-ZDUSSCGKSA-N 2 2 304.821 3.641 20 0 DHADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001206269174 1035234839 /nfs/dbraw/zinc/23/48/39/1035234839.db2.gz FDZZANWFDAGCRI-ZDUSSCGKSA-N 2 2 304.821 3.641 20 0 DHADLP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001206277608 1035296585 /nfs/dbraw/zinc/29/65/85/1035296585.db2.gz VLSDGOMUKPOBTA-ZDUSSCGKSA-N 2 2 304.821 3.641 20 0 DHADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001206277608 1035296591 /nfs/dbraw/zinc/29/65/91/1035296591.db2.gz VLSDGOMUKPOBTA-ZDUSSCGKSA-N 2 2 304.821 3.641 20 0 DHADLP C[N@H+]1CCC[C@@H]1C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924791811 1035324221 /nfs/dbraw/zinc/32/42/21/1035324221.db2.gz RAIIMXBVJHHVSU-LLVKDONJSA-N 2 2 320.321 3.724 20 0 DHADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c1 ZINC000483855478 1035307288 /nfs/dbraw/zinc/30/72/88/1035307288.db2.gz DTOQRSQPBWFCGZ-MRXNPFEDSA-N 2 2 322.493 3.863 20 0 DHADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924791811 1035324216 /nfs/dbraw/zinc/32/42/16/1035324216.db2.gz RAIIMXBVJHHVSU-LLVKDONJSA-N 2 2 320.321 3.724 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000484297538 1035328044 /nfs/dbraw/zinc/32/80/44/1035328044.db2.gz INSYBJQCKAJHIE-ZDUSSCGKSA-N 2 2 319.836 3.896 20 0 DHADLP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990884 1035341829 /nfs/dbraw/zinc/34/18/29/1035341829.db2.gz NTWMSRDMHQXETK-IRXDYDNUSA-N 2 2 321.509 3.615 20 0 DHADLP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990884 1035341832 /nfs/dbraw/zinc/34/18/32/1035341832.db2.gz NTWMSRDMHQXETK-IRXDYDNUSA-N 2 2 321.509 3.615 20 0 DHADLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1C ZINC000484498041 1035346030 /nfs/dbraw/zinc/34/60/30/1035346030.db2.gz GQPVICPIBBQHCT-SJLPKXTDSA-N 2 2 306.519 3.700 20 0 DHADLP COc1cc(C)ccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001178010427 1035404563 /nfs/dbraw/zinc/40/45/63/1035404563.db2.gz WONGHSNASMQNSC-UHFFFAOYSA-N 2 2 313.426 3.541 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(F)cc1F ZINC001204212413 1035415626 /nfs/dbraw/zinc/41/56/26/1035415626.db2.gz PWKBKLMBFKDKOH-DLBZAZTESA-N 2 2 308.416 3.804 20 0 DHADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(F)cc1F ZINC001204212413 1035415627 /nfs/dbraw/zinc/41/56/27/1035415627.db2.gz PWKBKLMBFKDKOH-DLBZAZTESA-N 2 2 308.416 3.804 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1F ZINC001204212413 1035415629 /nfs/dbraw/zinc/41/56/29/1035415629.db2.gz PWKBKLMBFKDKOH-DLBZAZTESA-N 2 2 308.416 3.804 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1F ZINC001204212413 1035415630 /nfs/dbraw/zinc/41/56/30/1035415630.db2.gz PWKBKLMBFKDKOH-DLBZAZTESA-N 2 2 308.416 3.804 20 0 DHADLP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001179173059 1035468819 /nfs/dbraw/zinc/46/88/19/1035468819.db2.gz HKWCAGNVJXEBLW-WMZOPIPTSA-N 2 2 314.473 3.549 20 0 DHADLP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001179173059 1035468821 /nfs/dbraw/zinc/46/88/21/1035468821.db2.gz HKWCAGNVJXEBLW-WMZOPIPTSA-N 2 2 314.473 3.549 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000668431852 1035473534 /nfs/dbraw/zinc/47/35/34/1035473534.db2.gz FULNLIZWWOZDEI-IMRCBTMISA-N 2 2 308.416 3.673 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000668431852 1035473535 /nfs/dbraw/zinc/47/35/35/1035473535.db2.gz FULNLIZWWOZDEI-IMRCBTMISA-N 2 2 308.416 3.673 20 0 DHADLP CCOc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001179722727 1035494831 /nfs/dbraw/zinc/49/48/31/1035494831.db2.gz SAKDXSQOFNDGIP-UHFFFAOYSA-N 2 2 321.424 3.603 20 0 DHADLP Fc1ccc(SCC[NH+]2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000659999389 1035612160 /nfs/dbraw/zinc/61/21/60/1035612160.db2.gz PKEFMVIOPAZNJL-UHFFFAOYSA-N 2 2 323.412 3.591 20 0 DHADLP Clc1csc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000193000360 1035829024 /nfs/dbraw/zinc/82/90/24/1035829024.db2.gz GWSFBZSOGUMRJM-UHFFFAOYSA-N 2 2 317.845 3.936 20 0 DHADLP CCSCCC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001181135750 1035848589 /nfs/dbraw/zinc/84/85/89/1035848589.db2.gz VHXXZEWYAWMEQC-FUHWJXTLSA-N 2 2 306.519 3.630 20 0 DHADLP CCSCCC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001181135750 1035848608 /nfs/dbraw/zinc/84/86/08/1035848608.db2.gz VHXXZEWYAWMEQC-FUHWJXTLSA-N 2 2 306.519 3.630 20 0 DHADLP CCSCCC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001181135751 1035850677 /nfs/dbraw/zinc/85/06/77/1035850677.db2.gz VHXXZEWYAWMEQC-SJLPKXTDSA-N 2 2 306.519 3.630 20 0 DHADLP CCSCCC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001181135751 1035850698 /nfs/dbraw/zinc/85/06/98/1035850698.db2.gz VHXXZEWYAWMEQC-SJLPKXTDSA-N 2 2 306.519 3.630 20 0 DHADLP CCSCCC[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001181134905 1035851036 /nfs/dbraw/zinc/85/10/36/1035851036.db2.gz QMJIWEWEVAOBOB-WMZOPIPTSA-N 2 2 306.519 3.772 20 0 DHADLP CCSCCC[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001181134905 1035851055 /nfs/dbraw/zinc/85/10/55/1035851055.db2.gz QMJIWEWEVAOBOB-WMZOPIPTSA-N 2 2 306.519 3.772 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000669847667 1035902930 /nfs/dbraw/zinc/90/29/30/1035902930.db2.gz NMOBSIMTZKBACT-QYZOEREBSA-N 2 2 309.457 3.872 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001181436601 1035923643 /nfs/dbraw/zinc/92/36/43/1035923643.db2.gz WLQUNNZVOBYWRO-QFBILLFUSA-N 2 2 300.490 3.502 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001181436601 1035923654 /nfs/dbraw/zinc/92/36/54/1035923654.db2.gz WLQUNNZVOBYWRO-QFBILLFUSA-N 2 2 300.490 3.502 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001181436600 1035924379 /nfs/dbraw/zinc/92/43/79/1035924379.db2.gz WLQUNNZVOBYWRO-LPHOPBHVSA-N 2 2 300.490 3.502 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001181436600 1035924392 /nfs/dbraw/zinc/92/43/92/1035924392.db2.gz WLQUNNZVOBYWRO-LPHOPBHVSA-N 2 2 300.490 3.502 20 0 DHADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000540757358 1036147229 /nfs/dbraw/zinc/14/72/29/1036147229.db2.gz QCVCJUVJUKXWPR-APWZRJJASA-N 2 2 324.472 3.703 20 0 DHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCCC1 ZINC000540789407 1036156697 /nfs/dbraw/zinc/15/66/97/1036156697.db2.gz PXUVPHLMBXHESA-HNNXBMFYSA-N 2 2 316.493 3.603 20 0 DHADLP Cc1cc(CNc2ccc(OCC[NH+](C)C)c(C)c2)cc(C)[nH+]1 ZINC001182260555 1036169071 /nfs/dbraw/zinc/16/90/71/1036169071.db2.gz GIANSPBPYHHSEY-UHFFFAOYSA-N 2 2 313.445 3.559 20 0 DHADLP Cc1ccc(OCCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000495015187 1036185016 /nfs/dbraw/zinc/18/50/16/1036185016.db2.gz DQSNNPRZRJTULS-QGZVFWFLSA-N 2 2 313.445 3.675 20 0 DHADLP Cc1ccc(OCCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000495015187 1036185028 /nfs/dbraw/zinc/18/50/28/1036185028.db2.gz DQSNNPRZRJTULS-QGZVFWFLSA-N 2 2 313.445 3.675 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000250224033 1036255321 /nfs/dbraw/zinc/25/53/21/1036255321.db2.gz FEQBXMDYJHIGDM-IUODEOHRSA-N 2 2 311.267 3.584 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000250224033 1036255336 /nfs/dbraw/zinc/25/53/36/1036255336.db2.gz FEQBXMDYJHIGDM-IUODEOHRSA-N 2 2 311.267 3.584 20 0 DHADLP Fc1ccc(CCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC001182634771 1036403434 /nfs/dbraw/zinc/40/34/34/1036403434.db2.gz OSJFTLSGNSXYFS-QZTJIDSGSA-N 2 2 308.416 3.504 20 0 DHADLP Fc1ccc(CCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC001182634771 1036403444 /nfs/dbraw/zinc/40/34/44/1036403444.db2.gz OSJFTLSGNSXYFS-QZTJIDSGSA-N 2 2 308.416 3.504 20 0 DHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000541770175 1036428868 /nfs/dbraw/zinc/42/88/68/1036428868.db2.gz CWPMUNYVCYLHQG-KZSQQDEKSA-N 2 2 320.427 3.642 20 0 DHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000541770175 1036428877 /nfs/dbraw/zinc/42/88/77/1036428877.db2.gz CWPMUNYVCYLHQG-KZSQQDEKSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000541770175 1036428881 /nfs/dbraw/zinc/42/88/81/1036428881.db2.gz CWPMUNYVCYLHQG-KZSQQDEKSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000541770175 1036428888 /nfs/dbraw/zinc/42/88/88/1036428888.db2.gz CWPMUNYVCYLHQG-KZSQQDEKSA-N 2 2 320.427 3.642 20 0 DHADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000629546669 1036436581 /nfs/dbraw/zinc/43/65/81/1036436581.db2.gz VWUAZFKNKVEIKN-NILFDRSVSA-N 2 2 300.368 3.743 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC001182854806 1036466442 /nfs/dbraw/zinc/46/64/42/1036466442.db2.gz LMTRPCBZDXUJQI-CGTJXYLNSA-N 2 2 316.489 3.695 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC001182854806 1036466452 /nfs/dbraw/zinc/46/64/52/1036466452.db2.gz LMTRPCBZDXUJQI-CGTJXYLNSA-N 2 2 316.489 3.695 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CCSCc1ccccc1 ZINC001182872617 1036471705 /nfs/dbraw/zinc/47/17/05/1036471705.db2.gz GQZCBFUZHXEONC-KRWDZBQOSA-N 2 2 306.519 3.630 20 0 DHADLP CS[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001183145450 1036525347 /nfs/dbraw/zinc/52/53/47/1036525347.db2.gz KCECJYDCAHNJKY-BZZMCLGOSA-N 2 2 304.503 3.523 20 0 DHADLP CS[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001183145450 1036525358 /nfs/dbraw/zinc/52/53/58/1036525358.db2.gz KCECJYDCAHNJKY-BZZMCLGOSA-N 2 2 304.503 3.523 20 0 DHADLP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001183145600 1036526643 /nfs/dbraw/zinc/52/66/43/1036526643.db2.gz KCECJYDCAHNJKY-VDHUWJSZSA-N 2 2 304.503 3.523 20 0 DHADLP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001183145600 1036526655 /nfs/dbraw/zinc/52/66/55/1036526655.db2.gz KCECJYDCAHNJKY-VDHUWJSZSA-N 2 2 304.503 3.523 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC001183335535 1036576779 /nfs/dbraw/zinc/57/67/79/1036576779.db2.gz JFVOBRGLQZQFNB-QRQLOZEOSA-N 2 2 318.530 3.772 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC001183335535 1036576792 /nfs/dbraw/zinc/57/67/92/1036576792.db2.gz JFVOBRGLQZQFNB-QRQLOZEOSA-N 2 2 318.530 3.772 20 0 DHADLP c1cn(C[C@H]([NH2+]C[C@H]2CCc3ccccc32)c2ccccc2)c[nH+]1 ZINC001183499297 1036609211 /nfs/dbraw/zinc/60/92/11/1036609211.db2.gz LJEFSRMBLQRJRB-CTNGQTDRSA-N 2 2 317.436 3.944 20 0 DHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC001184208256 1036768689 /nfs/dbraw/zinc/76/86/89/1036768689.db2.gz YYFGLRPUMHRNEV-AABGKKOBSA-N 2 2 302.506 3.964 20 0 DHADLP CC[C@H](C)[C@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001184375637 1036824445 /nfs/dbraw/zinc/82/44/45/1036824445.db2.gz VVKJSSGADDXZTO-JZXOWHBKSA-N 2 2 321.509 3.879 20 0 DHADLP CC[C@H](C)[C@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)OC ZINC001184375637 1036824456 /nfs/dbraw/zinc/82/44/56/1036824456.db2.gz VVKJSSGADDXZTO-JZXOWHBKSA-N 2 2 321.509 3.879 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCOc1ccc2ccccc2c1 ZINC001197702513 1036847908 /nfs/dbraw/zinc/84/79/08/1036847908.db2.gz ZLDTYFLZQYKRDB-VQTJNVASSA-N 2 2 324.468 3.777 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCOc1ccc2ccccc2c1 ZINC001197702513 1036847929 /nfs/dbraw/zinc/84/79/29/1036847929.db2.gz ZLDTYFLZQYKRDB-VQTJNVASSA-N 2 2 324.468 3.777 20 0 DHADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCOc1ccc2ccccc2c1 ZINC001197702513 1036847946 /nfs/dbraw/zinc/84/79/46/1036847946.db2.gz ZLDTYFLZQYKRDB-VQTJNVASSA-N 2 2 324.468 3.777 20 0 DHADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCOc1ccc2ccccc2c1 ZINC001197702513 1036847958 /nfs/dbraw/zinc/84/79/58/1036847958.db2.gz ZLDTYFLZQYKRDB-VQTJNVASSA-N 2 2 324.468 3.777 20 0 DHADLP CCc1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc(CC)[nH+]1 ZINC001184598426 1036903826 /nfs/dbraw/zinc/90/38/26/1036903826.db2.gz DWKGODGVBAMESW-SFHVURJKSA-N 2 2 324.472 3.850 20 0 DHADLP c1cc2c(cccc2C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)[nH]1 ZINC000236582295 1036969539 /nfs/dbraw/zinc/96/95/39/1036969539.db2.gz UHODWCWZFLXOOR-IBGZPJMESA-N 2 2 319.452 3.922 20 0 DHADLP c1cc2c(cccc2C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)[nH]1 ZINC000236582295 1036969554 /nfs/dbraw/zinc/96/95/54/1036969554.db2.gz UHODWCWZFLXOOR-IBGZPJMESA-N 2 2 319.452 3.922 20 0 DHADLP Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000237357727 1037002774 /nfs/dbraw/zinc/00/27/74/1037002774.db2.gz CCADKDUKUDWVNS-KRWDZBQOSA-N 2 2 305.425 3.902 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000237540542 1037014024 /nfs/dbraw/zinc/01/40/24/1037014024.db2.gz LJVSFQAWYOWMBC-LPHOPBHVSA-N 2 2 312.432 3.968 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000237540542 1037014041 /nfs/dbraw/zinc/01/40/41/1037014041.db2.gz LJVSFQAWYOWMBC-LPHOPBHVSA-N 2 2 312.432 3.968 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC001198790482 1037122630 /nfs/dbraw/zinc/12/26/30/1037122630.db2.gz IPKXAFOCJVRTJV-KRWDZBQOSA-N 2 2 319.493 3.634 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC001198790482 1037122642 /nfs/dbraw/zinc/12/26/42/1037122642.db2.gz IPKXAFOCJVRTJV-KRWDZBQOSA-N 2 2 319.493 3.634 20 0 DHADLP CCCCNc1[nH+]c2ccccc2n1CCCn1cc[nH+]c1C ZINC000915669482 1037132143 /nfs/dbraw/zinc/13/21/43/1037132143.db2.gz ISJVMDQWLQFORG-UHFFFAOYSA-N 2 2 311.433 3.844 20 0 DHADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c(C)o1 ZINC000163609863 1037151847 /nfs/dbraw/zinc/15/18/47/1037151847.db2.gz OIRGPDLTEZGMJZ-UHFFFAOYSA-N 2 2 312.457 3.959 20 0 DHADLP C[C@H](C[NH2+]CC[NH+]1CCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001198992116 1037181179 /nfs/dbraw/zinc/18/11/79/1037181179.db2.gz WTQMBPUAGDCSGJ-KRWDZBQOSA-N 2 2 302.506 3.848 20 0 DHADLP C[C@@H](Nc1[nH]c2ccccc2[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310532970 1037241795 /nfs/dbraw/zinc/24/17/95/1037241795.db2.gz QJPCWOGVMDLXMQ-NVXWUHKLSA-N 2 2 320.440 3.885 20 0 DHADLP C[C@@H](Nc1[nH]c2ccccc2[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310532970 1037241810 /nfs/dbraw/zinc/24/18/10/1037241810.db2.gz QJPCWOGVMDLXMQ-NVXWUHKLSA-N 2 2 320.440 3.885 20 0 DHADLP c1cn(CCCC[NH2+]Cc2cccc(OC3CCCC3)c2)c[nH+]1 ZINC001199648001 1037294725 /nfs/dbraw/zinc/29/47/25/1037294725.db2.gz AQKLDYWGDMHOAF-UHFFFAOYSA-N 2 2 313.445 3.775 20 0 DHADLP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282131409 1037491566 /nfs/dbraw/zinc/49/15/66/1037491566.db2.gz RJJUTLVEGSELPT-HOTGVXAUSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282131409 1037491568 /nfs/dbraw/zinc/49/15/68/1037491568.db2.gz RJJUTLVEGSELPT-HOTGVXAUSA-N 2 2 310.445 3.555 20 0 DHADLP C[N@@H+](Cc1ccc(CSC(F)F)o1)C[C@H]1CCC[NH+](C)C1 ZINC000092253841 1037537770 /nfs/dbraw/zinc/53/77/70/1037537770.db2.gz LQRQPMKOJQXCFU-LBPRGKRZSA-N 2 2 318.433 3.509 20 0 DHADLP C[N@H+](Cc1ccc(CSC(F)F)o1)C[C@H]1CCC[NH+](C)C1 ZINC000092253841 1037537787 /nfs/dbraw/zinc/53/77/87/1037537787.db2.gz LQRQPMKOJQXCFU-LBPRGKRZSA-N 2 2 318.433 3.509 20 0 DHADLP C[NH+](Cc1ccc(CSC(F)F)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253841 1037537803 /nfs/dbraw/zinc/53/78/03/1037537803.db2.gz LQRQPMKOJQXCFU-LBPRGKRZSA-N 2 2 318.433 3.509 20 0 DHADLP C[NH+](Cc1ccc(CSC(F)F)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253841 1037537811 /nfs/dbraw/zinc/53/78/11/1037537811.db2.gz LQRQPMKOJQXCFU-LBPRGKRZSA-N 2 2 318.433 3.509 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000038098224 1037847457 /nfs/dbraw/zinc/84/74/57/1037847457.db2.gz YZTDASZNNFHCSA-GFCCVEGCSA-N 2 2 309.523 3.884 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2c(OC)ccc3ccccc32)CC1 ZINC000125206733 1037927003 /nfs/dbraw/zinc/92/70/03/1037927003.db2.gz BLKZFPOITDYMSN-UHFFFAOYSA-N 2 2 312.457 3.765 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2c(OC)ccc3ccccc32)CC1 ZINC000125206733 1037927019 /nfs/dbraw/zinc/92/70/19/1037927019.db2.gz BLKZFPOITDYMSN-UHFFFAOYSA-N 2 2 312.457 3.765 20 0 DHADLP C[C@H](C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000571567346 1038171048 /nfs/dbraw/zinc/17/10/48/1038171048.db2.gz GXAZRRYUURGFGC-QGZVFWFLSA-N 2 2 312.457 3.980 20 0 DHADLP C[C@H](C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000571567346 1038171054 /nfs/dbraw/zinc/17/10/54/1038171054.db2.gz GXAZRRYUURGFGC-QGZVFWFLSA-N 2 2 312.457 3.980 20 0 DHADLP CC[C@@H](C[NH2+][C@H]1CCCc2c(OC)cccc21)[NH+]1CCCC1 ZINC000571965453 1038284950 /nfs/dbraw/zinc/28/49/50/1038284950.db2.gz PXKRIPWFTWGCCT-YJBOKZPZSA-N 2 2 302.462 3.537 20 0 DHADLP CO[C@@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)CC(C)C ZINC001205517952 1038315739 /nfs/dbraw/zinc/31/57/39/1038315739.db2.gz YZQXAMLOJNLFOI-GOSISDBHSA-N 2 2 310.526 3.683 20 0 DHADLP c1ccc([C@@H]2C[C@H]2C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000572541550 1038477743 /nfs/dbraw/zinc/47/77/43/1038477743.db2.gz QAZKACQAJBYAIE-HKUYNNGSSA-N 2 2 307.441 3.762 20 0 DHADLP Fc1ccc(F)c([C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168392656 1038521416 /nfs/dbraw/zinc/52/14/16/1038521416.db2.gz RPFZUWCVBHMRJZ-LJQANCHMSA-N 2 2 320.427 3.976 20 0 DHADLP Fc1ccc(F)c([C@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168392656 1038521420 /nfs/dbraw/zinc/52/14/20/1038521420.db2.gz RPFZUWCVBHMRJZ-LJQANCHMSA-N 2 2 320.427 3.976 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000573366157 1038907961 /nfs/dbraw/zinc/90/79/61/1038907961.db2.gz GJMCTEBFVIYLQA-SWLSCSKDSA-N 2 2 323.362 3.610 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000591868362 1039038331 /nfs/dbraw/zinc/03/83/31/1039038331.db2.gz XRYAIGPAWULLBT-GOSISDBHSA-N 2 2 322.412 3.684 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000591868362 1039038352 /nfs/dbraw/zinc/03/83/52/1039038352.db2.gz XRYAIGPAWULLBT-GOSISDBHSA-N 2 2 322.412 3.684 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573921209 1039105510 /nfs/dbraw/zinc/10/55/10/1039105510.db2.gz MSBLGXUCGDFDDA-XJKSGUPXSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573921209 1039105519 /nfs/dbraw/zinc/10/55/19/1039105519.db2.gz MSBLGXUCGDFDDA-XJKSGUPXSA-N 2 2 323.278 3.586 20 0 DHADLP Clc1ccc2[nH+]ccc(NCC[NH+]3Cc4ccccc4C3)c2c1 ZINC000604034720 1039302886 /nfs/dbraw/zinc/30/28/86/1039302886.db2.gz DJUMKIBHFQMOHE-UHFFFAOYSA-N 2 2 323.827 3.738 20 0 DHADLP CSCC1(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000594975412 1039949936 /nfs/dbraw/zinc/94/99/36/1039949936.db2.gz STPMPGBMAWEZEH-UHFFFAOYSA-N 2 2 324.456 3.526 20 0 DHADLP C[C@H](C[NH2+]CC(C)(C)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000575112513 1040181097 /nfs/dbraw/zinc/18/10/97/1040181097.db2.gz TXOKJBNCZFAJSK-GFCCVEGCSA-N 2 2 302.384 3.739 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC[N@@H+]1C ZINC000608061397 1040359509 /nfs/dbraw/zinc/35/95/09/1040359509.db2.gz SWMVPOKMTVTYQI-OLZOCXBDSA-N 2 2 320.383 3.797 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC[N@H+]1C ZINC000608061397 1040359532 /nfs/dbraw/zinc/35/95/32/1040359532.db2.gz SWMVPOKMTVTYQI-OLZOCXBDSA-N 2 2 320.383 3.797 20 0 DHADLP Cc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000608069656 1040364275 /nfs/dbraw/zinc/36/42/75/1040364275.db2.gz DNBKBSQJHVWMPA-QGZVFWFLSA-N 2 2 311.454 3.864 20 0 DHADLP Cc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1F ZINC000608075031 1040368721 /nfs/dbraw/zinc/36/87/21/1040368721.db2.gz URZGFZGRKGKWMN-IBGZPJMESA-N 2 2 323.415 3.941 20 0 DHADLP C[N@H+](C/C=C/c1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328638528 529820186 /nfs/dbraw/zinc/82/01/86/529820186.db2.gz PCQMEFWAWPXLQW-OYIMBBQMSA-N 2 2 321.468 3.720 20 0 DHADLP C[N@@H+](C/C=C/c1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328638528 529820187 /nfs/dbraw/zinc/82/01/87/529820187.db2.gz PCQMEFWAWPXLQW-OYIMBBQMSA-N 2 2 321.468 3.720 20 0 DHADLP C[NH+](C/C=C/c1ccccc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328638528 529820188 /nfs/dbraw/zinc/82/01/88/529820188.db2.gz PCQMEFWAWPXLQW-OYIMBBQMSA-N 2 2 321.468 3.720 20 0 DHADLP C[NH+](C/C=C/c1ccccc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328638528 529820190 /nfs/dbraw/zinc/82/01/90/529820190.db2.gz PCQMEFWAWPXLQW-OYIMBBQMSA-N 2 2 321.468 3.720 20 0 DHADLP Cc1cnc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000080346692 192150260 /nfs/dbraw/zinc/15/02/60/192150260.db2.gz JYHHPPWCZFQSBA-UHFFFAOYSA-N 2 2 312.442 3.662 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cncs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318096 193231648 /nfs/dbraw/zinc/23/16/48/193231648.db2.gz APTBOLBGJMQDBH-WBVHZDCISA-N 2 2 315.486 3.628 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC000093318096 193231649 /nfs/dbraw/zinc/23/16/49/193231649.db2.gz APTBOLBGJMQDBH-WBVHZDCISA-N 2 2 315.486 3.628 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cncs2)CC[NH+]1Cc1ccccc1 ZINC000093318096 193231650 /nfs/dbraw/zinc/23/16/50/193231650.db2.gz APTBOLBGJMQDBH-WBVHZDCISA-N 2 2 315.486 3.628 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cncs2)CC[NH+]1Cc1ccccc1 ZINC000093318096 193231651 /nfs/dbraw/zinc/23/16/51/193231651.db2.gz APTBOLBGJMQDBH-WBVHZDCISA-N 2 2 315.486 3.628 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1nccs1 ZINC000093369432 193239504 /nfs/dbraw/zinc/23/95/04/193239504.db2.gz RZBGQVXCODELHE-GFCCVEGCSA-N 2 2 300.431 3.542 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1nc2c(s1)CCCC2 ZINC000477917346 335026516 /nfs/dbraw/zinc/02/65/16/335026516.db2.gz GWLRZEHASLBPBC-CQSZACIVSA-N 2 2 321.534 3.795 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272519063 130036351 /nfs/dbraw/zinc/03/63/51/130036351.db2.gz HPWXBSUXOCDNNT-CYBMUJFWSA-N 2 2 300.368 3.754 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273015700 130082797 /nfs/dbraw/zinc/08/27/97/130082797.db2.gz YKJPOORKBHPQBS-ZBFHGGJFSA-N 2 2 301.409 3.750 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273015700 130082799 /nfs/dbraw/zinc/08/27/99/130082799.db2.gz YKJPOORKBHPQBS-ZBFHGGJFSA-N 2 2 301.409 3.750 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000273198560 130096376 /nfs/dbraw/zinc/09/63/76/130096376.db2.gz IEHDQZDVAMXRME-ZACQAIPSSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(Cl)cn1 ZINC000274903708 130271616 /nfs/dbraw/zinc/27/16/16/130271616.db2.gz LSTYLVRHLNHUJV-GFCCVEGCSA-N 2 2 314.820 3.895 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)[nH]1 ZINC000275792296 130387209 /nfs/dbraw/zinc/38/72/09/130387209.db2.gz YWDXSJCUOLOBIU-QGZVFWFLSA-N 2 2 313.445 3.838 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCCCOc3ccccc3)C2)[nH]1 ZINC000275792296 130387214 /nfs/dbraw/zinc/38/72/14/130387214.db2.gz YWDXSJCUOLOBIU-QGZVFWFLSA-N 2 2 313.445 3.838 20 0 DHADLP Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000283916284 131032875 /nfs/dbraw/zinc/03/28/75/131032875.db2.gz DMKRXCHPHVYFKL-GOSISDBHSA-N 2 2 319.408 3.745 20 0 DHADLP CC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccc(C)c1 ZINC000285679071 131193007 /nfs/dbraw/zinc/19/30/07/131193007.db2.gz NVYGIGSZRRGHIP-SFHVURJKSA-N 2 2 306.413 3.817 20 0 DHADLP C[NH+](CCC[N@H+](C)CCCCC(F)(F)F)Cc1ccco1 ZINC000285730619 131197553 /nfs/dbraw/zinc/19/75/53/131197553.db2.gz QQLAFNMHVMBDEQ-UHFFFAOYSA-N 2 2 306.372 3.766 20 0 DHADLP C[NH+](CCC[N@@H+](C)CCCCC(F)(F)F)Cc1ccco1 ZINC000285730619 131197554 /nfs/dbraw/zinc/19/75/54/131197554.db2.gz QQLAFNMHVMBDEQ-UHFFFAOYSA-N 2 2 306.372 3.766 20 0 DHADLP C[NH+](CCCCC(F)(F)F)CCC[N@H+](C)Cc1ccco1 ZINC000285730619 131197556 /nfs/dbraw/zinc/19/75/56/131197556.db2.gz QQLAFNMHVMBDEQ-UHFFFAOYSA-N 2 2 306.372 3.766 20 0 DHADLP C[NH+](CCCCC(F)(F)F)CCC[N@@H+](C)Cc1ccco1 ZINC000285730619 131197558 /nfs/dbraw/zinc/19/75/58/131197558.db2.gz QQLAFNMHVMBDEQ-UHFFFAOYSA-N 2 2 306.372 3.766 20 0 DHADLP CCc1nc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000340236951 131245081 /nfs/dbraw/zinc/24/50/81/131245081.db2.gz LEXNQSQVIGPVRS-RDJZCZTQSA-N 2 2 315.486 3.631 20 0 DHADLP CCc1nc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000340236951 131245082 /nfs/dbraw/zinc/24/50/82/131245082.db2.gz LEXNQSQVIGPVRS-RDJZCZTQSA-N 2 2 315.486 3.631 20 0 DHADLP CC(C)[NH2+]C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000287913651 131305455 /nfs/dbraw/zinc/30/54/55/131305455.db2.gz OOTOCELOESDTMK-UHFFFAOYSA-N 2 2 303.837 3.855 20 0 DHADLP FC(F)(F)[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000288347176 131320970 /nfs/dbraw/zinc/32/09/70/131320970.db2.gz BVCHLQICIMSLAT-TZMCWYRMSA-N 2 2 311.351 3.793 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000289208401 131366481 /nfs/dbraw/zinc/36/64/81/131366481.db2.gz IJTUFHWJVDHBOI-SFHVURJKSA-N 3 2 303.494 3.567 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000289208401 131366482 /nfs/dbraw/zinc/36/64/82/131366482.db2.gz IJTUFHWJVDHBOI-SFHVURJKSA-N 3 2 303.494 3.567 20 0 DHADLP C[C@@H]1[C@@H]([NH2+]CCCc2ccccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000340307585 131368708 /nfs/dbraw/zinc/36/87/08/131368708.db2.gz HABZDVXEKAEBCZ-NQIIRXRSSA-N 2 2 323.484 3.657 20 0 DHADLP C[C@@H]1[C@@H]([NH2+]CCCc2ccccn2)CCC[N@H+]1Cc1ccccc1 ZINC000340307585 131368709 /nfs/dbraw/zinc/36/87/09/131368709.db2.gz HABZDVXEKAEBCZ-NQIIRXRSSA-N 2 2 323.484 3.657 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]CCCCC2CCOCC2)[C@@H]1c1ccccc1 ZINC000289443600 131386492 /nfs/dbraw/zinc/38/64/92/131386492.db2.gz UCXJOIDVLWMZPS-PMACEKPBSA-N 2 2 316.489 3.618 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]CCCCC2CCOCC2)[C@@H]1c1ccccc1 ZINC000289443600 131386493 /nfs/dbraw/zinc/38/64/93/131386493.db2.gz UCXJOIDVLWMZPS-PMACEKPBSA-N 2 2 316.489 3.618 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]CCCCC(F)(F)F)[C@H]1c1ccccc1 ZINC000289452077 131387081 /nfs/dbraw/zinc/38/70/81/131387081.db2.gz UWWFYZFGZQOVCT-HUUCEWRRSA-N 2 2 300.368 3.754 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]CCCCC(F)(F)F)[C@H]1c1ccccc1 ZINC000289452077 131387083 /nfs/dbraw/zinc/38/70/83/131387083.db2.gz UWWFYZFGZQOVCT-HUUCEWRRSA-N 2 2 300.368 3.754 20 0 DHADLP Cc1[nH+]cn(-c2ccc(NC3CC[NH+](C4CC4)CC3)cc2)c1C ZINC000297313410 132009455 /nfs/dbraw/zinc/00/94/55/132009455.db2.gz CBENSROZDLCSJI-UHFFFAOYSA-N 2 2 310.445 3.528 20 0 DHADLP Cc1cc(F)ccc1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000298281941 132054248 /nfs/dbraw/zinc/05/42/48/132054248.db2.gz OOONTLPEUOHACH-UHFFFAOYSA-N 2 2 301.409 3.600 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000298427877 132061621 /nfs/dbraw/zinc/06/16/21/132061621.db2.gz UNYCRFICSXACKI-BEFAXECRSA-N 2 2 321.424 3.938 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(OC(F)F)c1 ZINC000163817697 132123666 /nfs/dbraw/zinc/12/36/66/132123666.db2.gz WJIUCQDFKVUDCT-ZDUSSCGKSA-N 2 2 321.371 3.836 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CCCO2 ZINC000163828422 132125106 /nfs/dbraw/zinc/12/51/06/132125106.db2.gz VYJUDGDOABHFFH-QGZVFWFLSA-N 2 2 311.429 3.696 20 0 DHADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCc1c[nH+]ccc1C ZINC000517435978 331690900 /nfs/dbraw/zinc/69/09/00/331690900.db2.gz LXWHLLFVUZLFHX-GOSISDBHSA-N 2 2 314.404 3.747 20 0 DHADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)c(F)c1 ZINC000556610811 331719893 /nfs/dbraw/zinc/71/98/93/331719893.db2.gz LEIRICXNZZDTGS-LLVKDONJSA-N 2 2 307.800 3.863 20 0 DHADLP Cc1ccc(CCC[NH+]2CCC(CC(F)(F)F)CC2)c[nH+]1 ZINC000556619824 331721067 /nfs/dbraw/zinc/72/10/67/331721067.db2.gz URHKWFPUYWKZOU-UHFFFAOYSA-N 2 2 300.368 3.987 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000517782284 331969239 /nfs/dbraw/zinc/96/92/39/331969239.db2.gz CPFAUBHQNGBKEI-ZWKOTPCHSA-N 2 2 304.478 3.754 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000426298212 332037210 /nfs/dbraw/zinc/03/72/10/332037210.db2.gz JGKITAUAMFJRFI-SWHYSGLUSA-N 2 2 310.894 3.851 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000426298212 332037211 /nfs/dbraw/zinc/03/72/11/332037211.db2.gz JGKITAUAMFJRFI-SWHYSGLUSA-N 2 2 310.894 3.851 20 0 DHADLP Cn1c(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[nH+]c2cccc(F)c21 ZINC000409732991 332051046 /nfs/dbraw/zinc/05/10/46/332051046.db2.gz PHMMWVLPNKISEV-SJORKVTESA-N 2 2 324.403 3.570 20 0 DHADLP Cn1c(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[nH+]c2cccc(F)c21 ZINC000409732991 332051047 /nfs/dbraw/zinc/05/10/47/332051047.db2.gz PHMMWVLPNKISEV-SJORKVTESA-N 2 2 324.403 3.570 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1-c1cccs1 ZINC000427130100 332168160 /nfs/dbraw/zinc/16/81/60/332168160.db2.gz DVZNSOYPDOALAM-RHSMWYFYSA-N 2 2 316.445 3.738 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1-c1cccs1 ZINC000427130100 332168161 /nfs/dbraw/zinc/16/81/61/332168161.db2.gz DVZNSOYPDOALAM-RHSMWYFYSA-N 2 2 316.445 3.738 20 0 DHADLP Cc1cccc(CCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000181205353 332187059 /nfs/dbraw/zinc/18/70/59/332187059.db2.gz LQVRUGBAAUTWOC-IBGZPJMESA-N 2 2 311.473 3.616 20 0 DHADLP Cc1cccc(CCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000181205353 332187060 /nfs/dbraw/zinc/18/70/60/332187060.db2.gz LQVRUGBAAUTWOC-IBGZPJMESA-N 2 2 311.473 3.616 20 0 DHADLP CC(C)Oc1cccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000363681476 332218775 /nfs/dbraw/zinc/21/87/75/332218775.db2.gz VQAYNBNCOKIMIC-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP CC(C)Oc1cccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000363681476 332218777 /nfs/dbraw/zinc/21/87/77/332218777.db2.gz VQAYNBNCOKIMIC-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372312 332233539 /nfs/dbraw/zinc/23/35/39/332233539.db2.gz XBIYYRRVNIBGQN-FUHWJXTLSA-N 2 2 317.477 3.553 20 0 DHADLP CC[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)OC ZINC000449479084 332265047 /nfs/dbraw/zinc/26/50/47/332265047.db2.gz UAUKVBGQHKPDBP-SFHVURJKSA-N 2 2 324.896 3.709 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000560126029 332312590 /nfs/dbraw/zinc/31/25/90/332312590.db2.gz CEPISOJQDVMIDJ-LCLWPZTBSA-N 2 2 316.489 3.678 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(F)ccc1F ZINC000560267516 332325707 /nfs/dbraw/zinc/32/57/07/332325707.db2.gz QRMBLUKIIGLDOT-GOSISDBHSA-N 2 2 319.399 3.985 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000560668333 332376078 /nfs/dbraw/zinc/37/60/78/332376078.db2.gz MTYDVIHGIXIBJW-HOCLYGCPSA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000560668333 332376079 /nfs/dbraw/zinc/37/60/79/332376079.db2.gz MTYDVIHGIXIBJW-HOCLYGCPSA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000560668333 332376080 /nfs/dbraw/zinc/37/60/80/332376080.db2.gz MTYDVIHGIXIBJW-HOCLYGCPSA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000560668333 332376081 /nfs/dbraw/zinc/37/60/81/332376081.db2.gz MTYDVIHGIXIBJW-HOCLYGCPSA-N 2 2 324.415 3.513 20 0 DHADLP CC(C)C1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000561402061 332446987 /nfs/dbraw/zinc/44/69/87/332446987.db2.gz AHYCYOLHMAPMKV-UHFFFAOYSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)sc1Cl ZINC000427868209 332549968 /nfs/dbraw/zinc/54/99/68/332549968.db2.gz QHATVXRJKSGLPV-RKDXNWHRSA-N 2 2 316.257 3.917 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(Oc3cccnc3)cc2)n1C ZINC000570412267 332752008 /nfs/dbraw/zinc/75/20/08/332752008.db2.gz XEKZPXQDBIVDMF-CQSZACIVSA-N 2 2 322.412 3.767 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179169465 333024743 /nfs/dbraw/zinc/02/47/43/333024743.db2.gz JHOATPSWXXKUST-ZXYWRSMDSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179169465 333024744 /nfs/dbraw/zinc/02/47/44/333024744.db2.gz JHOATPSWXXKUST-ZXYWRSMDSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179169465 333024746 /nfs/dbraw/zinc/02/47/46/333024746.db2.gz JHOATPSWXXKUST-ZXYWRSMDSA-N 2 2 320.427 3.975 20 0 DHADLP CC[C@H](C[NH2+]Cc1ccc(OC)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000518766185 333031986 /nfs/dbraw/zinc/03/19/86/333031986.db2.gz IFHLBDCKRTZCCQ-HXUWFJFHSA-N 2 2 324.468 3.622 20 0 DHADLP CC[C@H](C[NH2+]Cc1ccc(OC)cc1)[N@H+]1CCc2ccccc2C1 ZINC000518766185 333031987 /nfs/dbraw/zinc/03/19/87/333031987.db2.gz IFHLBDCKRTZCCQ-HXUWFJFHSA-N 2 2 324.468 3.622 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000580245481 333040281 /nfs/dbraw/zinc/04/02/81/333040281.db2.gz QMNQDWMIJAIOIZ-UHFFFAOYSA-N 2 2 310.441 3.940 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000580245481 333040282 /nfs/dbraw/zinc/04/02/82/333040282.db2.gz QMNQDWMIJAIOIZ-UHFFFAOYSA-N 2 2 310.441 3.940 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC000563038111 333117078 /nfs/dbraw/zinc/11/70/78/333117078.db2.gz JHMQVWGSBOVBGD-UHFFFAOYSA-N 2 2 309.457 3.998 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000309671890 333187046 /nfs/dbraw/zinc/18/70/46/333187046.db2.gz UAXAEZXAYXBSIZ-PXNSSMCTSA-N 2 2 309.457 3.644 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000309671890 333187047 /nfs/dbraw/zinc/18/70/47/333187047.db2.gz UAXAEZXAYXBSIZ-PXNSSMCTSA-N 2 2 309.457 3.644 20 0 DHADLP C[C@@H](CCc1ccsc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497389647 333244586 /nfs/dbraw/zinc/24/45/86/333244586.db2.gz NJAGRHGASWJKRB-HNNXBMFYSA-N 2 2 315.486 3.723 20 0 DHADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1nc2ccccc2n1C ZINC000120545197 333289499 /nfs/dbraw/zinc/28/94/99/333289499.db2.gz MEXYQGKLTHZAOY-CYBMUJFWSA-N 2 2 314.477 3.533 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1F ZINC000390563170 333300606 /nfs/dbraw/zinc/30/06/06/333300606.db2.gz NIABCGZHNLQZLX-IBGZPJMESA-N 2 2 312.432 3.888 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1F ZINC000390563170 333300607 /nfs/dbraw/zinc/30/06/07/333300607.db2.gz NIABCGZHNLQZLX-IBGZPJMESA-N 2 2 312.432 3.888 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC2(F)F)n1-c1ccccc1 ZINC000390567466 333301332 /nfs/dbraw/zinc/30/13/32/333301332.db2.gz NYSAABZZLRLBIK-CQSZACIVSA-N 2 2 305.372 3.706 20 0 DHADLP COc1cccc([C@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000390589979 333304562 /nfs/dbraw/zinc/30/45/62/333304562.db2.gz QJXRRYVGLJAJEY-IRXDYDNUSA-N 2 2 312.457 3.866 20 0 DHADLP COc1cccc([C@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000390589979 333304564 /nfs/dbraw/zinc/30/45/64/333304564.db2.gz QJXRRYVGLJAJEY-IRXDYDNUSA-N 2 2 312.457 3.866 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)cc1F ZINC000390677074 333313856 /nfs/dbraw/zinc/31/38/56/333313856.db2.gz VXTAXZFXHWMRKY-MRXNPFEDSA-N 2 2 300.421 3.744 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1F ZINC000390677074 333313857 /nfs/dbraw/zinc/31/38/57/333313857.db2.gz VXTAXZFXHWMRKY-MRXNPFEDSA-N 2 2 300.421 3.744 20 0 DHADLP CSCCCCC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000185165718 333369096 /nfs/dbraw/zinc/36/90/96/333369096.db2.gz OKHJAUZDDYKVJD-WMZOPIPTSA-N 2 2 306.519 3.772 20 0 DHADLP CSCCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000185165718 333369099 /nfs/dbraw/zinc/36/90/99/333369099.db2.gz OKHJAUZDDYKVJD-WMZOPIPTSA-N 2 2 306.519 3.772 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000121407565 333386451 /nfs/dbraw/zinc/38/64/51/333386451.db2.gz OPHFRAVQQXIIPA-KXBFYZLASA-N 2 2 319.408 3.527 20 0 DHADLP CCCC(O)(CCC)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152042002 333517973 /nfs/dbraw/zinc/51/79/73/333517973.db2.gz XPZQLPJQDMALCK-MRXNPFEDSA-N 2 2 315.461 3.854 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000531684716 333541179 /nfs/dbraw/zinc/54/11/79/333541179.db2.gz UZICXEBFVIEJLU-INIZCTEOSA-N 2 2 319.836 3.820 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000531688824 333545053 /nfs/dbraw/zinc/54/50/53/333545053.db2.gz VASJRPBMNVLCOU-VBKZILBWSA-N 2 2 305.425 3.868 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000414130471 333899661 /nfs/dbraw/zinc/89/96/61/333899661.db2.gz XHUOUDLDEMTRDJ-INIZCTEOSA-N 2 2 323.362 3.722 20 0 DHADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(F)(F)F ZINC000414518486 334005368 /nfs/dbraw/zinc/00/53/68/334005368.db2.gz SEZREMPCUCIFPG-SNVBAGLBSA-N 2 2 303.353 3.612 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC(C)(C)C[C@@H]3C)sc2C1 ZINC000414529702 334008760 /nfs/dbraw/zinc/00/87/60/334008760.db2.gz WFBFLLICGSOVTC-ZDUSSCGKSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC(C)(C)C[C@@H]3C)sc2C1 ZINC000414529702 334008761 /nfs/dbraw/zinc/00/87/61/334008761.db2.gz WFBFLLICGSOVTC-ZDUSSCGKSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC(C)(C)C[C@@H]3C)sc2C1 ZINC000414529702 334008762 /nfs/dbraw/zinc/00/87/62/334008762.db2.gz WFBFLLICGSOVTC-ZDUSSCGKSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC(C)(C)C[C@@H]3C)sc2C1 ZINC000414529702 334008763 /nfs/dbraw/zinc/00/87/63/334008763.db2.gz WFBFLLICGSOVTC-ZDUSSCGKSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000414742968 334079424 /nfs/dbraw/zinc/07/94/24/334079424.db2.gz GTXYPRKCNUEVCL-CYBMUJFWSA-N 2 2 319.424 3.534 20 0 DHADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000414742968 334079426 /nfs/dbraw/zinc/07/94/26/334079426.db2.gz GTXYPRKCNUEVCL-CYBMUJFWSA-N 2 2 319.424 3.534 20 0 DHADLP COc1ccccc1-c1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000414783925 334094650 /nfs/dbraw/zinc/09/46/50/334094650.db2.gz HTZUYUDBVWAZTF-UHFFFAOYSA-N 2 2 310.441 3.675 20 0 DHADLP COc1ccccc1-c1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000414783925 334094651 /nfs/dbraw/zinc/09/46/51/334094651.db2.gz HTZUYUDBVWAZTF-UHFFFAOYSA-N 2 2 310.441 3.675 20 0 DHADLP Fc1cc2cccnc2c(C[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000414813933 334106087 /nfs/dbraw/zinc/10/60/87/334106087.db2.gz RDYWXXIGRMTWNP-UHFFFAOYSA-N 2 2 315.436 3.776 20 0 DHADLP COc1cc(C[NH2+]CC[NH2+]C2CCCCCC2)ccc1SC ZINC000414813820 334106164 /nfs/dbraw/zinc/10/61/64/334106164.db2.gz RBMQZWBHZCCVSR-UHFFFAOYSA-N 2 2 322.518 3.819 20 0 DHADLP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343603018 335176403 /nfs/dbraw/zinc/17/64/03/335176403.db2.gz GAXLHIGEALSZMY-KGLIPLIRSA-N 2 2 316.342 3.561 20 0 DHADLP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343603018 335176404 /nfs/dbraw/zinc/17/64/04/335176404.db2.gz GAXLHIGEALSZMY-KGLIPLIRSA-N 2 2 316.342 3.561 20 0 DHADLP [NH3+][C@@H](C[NH2+]CCCc1c(F)cccc1Cl)c1ccccc1 ZINC000414841560 334113027 /nfs/dbraw/zinc/11/30/27/334113027.db2.gz YFTGLQPCFSUXOH-KRWDZBQOSA-N 2 2 306.812 3.701 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000286204592 334151863 /nfs/dbraw/zinc/15/18/63/334151863.db2.gz RODXGMZTNPFERY-IAGOWNOFSA-N 2 2 324.472 3.661 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000343602368 335176393 /nfs/dbraw/zinc/17/63/93/335176393.db2.gz KZMDLWPKQHSSGX-UHFFFAOYSA-N 2 2 318.358 3.762 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000343602368 335176394 /nfs/dbraw/zinc/17/63/94/335176394.db2.gz KZMDLWPKQHSSGX-UHFFFAOYSA-N 2 2 318.358 3.762 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3[NH2+]CCCC3(C)C)s2)o1 ZINC000414935910 334198065 /nfs/dbraw/zinc/19/80/65/334198065.db2.gz WJGPGHHAIMEYGD-OAHLLOKOSA-N 2 2 319.474 3.579 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000414948610 334206198 /nfs/dbraw/zinc/20/61/98/334206198.db2.gz MJXCPNVUJCLIJW-WMLDXEAASA-N 2 2 322.424 3.570 20 0 DHADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414957873 334210274 /nfs/dbraw/zinc/21/02/74/334210274.db2.gz RGQPGRRFYZEEFQ-TVQRCGJNSA-N 2 2 306.759 3.589 20 0 DHADLP [NH3+]CC[C@H]([NH2+]CCCCc1cccc(C(F)(F)F)c1)C(F)F ZINC000414982869 334226608 /nfs/dbraw/zinc/22/66/08/334226608.db2.gz ATEMZSOWDIBXJA-ZDUSSCGKSA-N 2 2 324.337 3.600 20 0 DHADLP FC(F)(F)c1cc(C[NH2+][C@H]2CCCC[NH2+]C2)ccc1Cl ZINC000415071365 334264320 /nfs/dbraw/zinc/26/43/20/334264320.db2.gz SSKFBKSIDDBREQ-NSHDSACASA-N 2 2 306.759 3.591 20 0 DHADLP CC(C)(C)c1ccncc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415115356 334283590 /nfs/dbraw/zinc/28/35/90/334283590.db2.gz DPXOUABUKOCISC-ICSRJNTNSA-N 2 2 323.484 3.962 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000430559727 334285750 /nfs/dbraw/zinc/28/57/50/334285750.db2.gz XPXYJNQCOBUVGS-STQMWFEESA-N 2 2 319.449 3.508 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000430559727 334285751 /nfs/dbraw/zinc/28/57/51/334285751.db2.gz XPXYJNQCOBUVGS-STQMWFEESA-N 2 2 319.449 3.508 20 0 DHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580712 334288955 /nfs/dbraw/zinc/28/89/55/334288955.db2.gz NMDWBBVFPAYSQR-GOEBONIOSA-N 2 2 322.412 3.626 20 0 DHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580712 334288956 /nfs/dbraw/zinc/28/89/56/334288956.db2.gz NMDWBBVFPAYSQR-GOEBONIOSA-N 2 2 322.412 3.626 20 0 DHADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000531939310 334298643 /nfs/dbraw/zinc/29/86/43/334298643.db2.gz LVGOIXDUNDYMAP-KDOFPFPSSA-N 2 2 301.409 3.716 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531984723 334358011 /nfs/dbraw/zinc/35/80/11/334358011.db2.gz UOABFVYSJOOMTL-KFWWJZLASA-N 2 2 317.502 3.720 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531984723 334358012 /nfs/dbraw/zinc/35/80/12/334358012.db2.gz UOABFVYSJOOMTL-KFWWJZLASA-N 2 2 317.502 3.720 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000531988510 334362180 /nfs/dbraw/zinc/36/21/80/334362180.db2.gz OLWTYOLSFNDZRF-HOTGVXAUSA-N 2 2 313.445 3.737 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535154777 334373425 /nfs/dbraw/zinc/37/34/25/334373425.db2.gz KIMWAIHOVUCMET-SFHVURJKSA-N 2 2 309.457 3.711 20 0 DHADLP c1c[nH+]c(C2CC[NH+](CCOc3cccc4ccccc43)CC2)[nH]1 ZINC000342601646 334558425 /nfs/dbraw/zinc/55/84/25/334558425.db2.gz KVDOSNFZAVZVTD-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC34CC4)CC2)cc1 ZINC000417341828 334705702 /nfs/dbraw/zinc/70/57/02/334705702.db2.gz BWOGOTQWEKVEPU-OAHLLOKOSA-N 2 2 304.865 3.694 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@@H]1SC)c1cccc(OC)c1 ZINC000425333388 334802591 /nfs/dbraw/zinc/80/25/91/334802591.db2.gz BZSSHDDFADEHHQ-KSZLIROESA-N 2 2 322.518 3.562 20 0 DHADLP Cc1ccc(CCC[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c[nH+]1 ZINC000425353615 334836244 /nfs/dbraw/zinc/83/62/44/334836244.db2.gz LUNIQTWKSWEWKT-UHFFFAOYSA-N 2 2 320.477 3.670 20 0 DHADLP CCCN(CC[NH+]1CCCCCC1)Cc1c[nH+]cn1C(C)C ZINC000425377947 334861187 /nfs/dbraw/zinc/86/11/87/334861187.db2.gz ILZGZHMXHCSXBK-UHFFFAOYSA-N 2 2 306.498 3.552 20 0 DHADLP c1nc(C2CCC2)sc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000343743462 335190277 /nfs/dbraw/zinc/19/02/77/335190277.db2.gz VQODKFDTOMHUAS-UHFFFAOYSA-N 2 2 305.491 3.517 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000343826794 335195973 /nfs/dbraw/zinc/19/59/73/335195973.db2.gz FBSHJXCQDVXOJG-SNVBAGLBSA-N 2 2 321.412 3.687 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000343830418 335200076 /nfs/dbraw/zinc/20/00/76/335200076.db2.gz GKGPFULLWUMSAS-QKLQHJQFSA-N 2 2 309.457 3.876 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000343830418 335200078 /nfs/dbraw/zinc/20/00/78/335200078.db2.gz GKGPFULLWUMSAS-QKLQHJQFSA-N 2 2 309.457 3.876 20 0 DHADLP COc1ccc(C)cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000343894348 335204161 /nfs/dbraw/zinc/20/41/61/335204161.db2.gz RRHFJDVXPXAXLI-UHFFFAOYSA-N 2 2 321.424 3.538 20 0 DHADLP CC[C@@H]1CCC[C@@H](C[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000344113361 335218318 /nfs/dbraw/zinc/21/83/18/335218318.db2.gz MFNVQJDMCFJRBV-IAGOWNOFSA-N 2 2 310.526 3.682 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(C)c3ncccc3c1)CCC2 ZINC000344221697 335229916 /nfs/dbraw/zinc/22/99/16/335229916.db2.gz ZZNRAAKJWPXBTH-GOSISDBHSA-N 2 2 320.440 3.715 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC(F)(F)C2)n1-c1ccccc1 ZINC000344827159 335278400 /nfs/dbraw/zinc/27/84/00/335278400.db2.gz RBPDNRQEPJRLOD-CQSZACIVSA-N 2 2 305.372 3.848 20 0 DHADLP C[C@H]1CCC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000344909180 335284881 /nfs/dbraw/zinc/28/48/81/335284881.db2.gz ZRXRIJVYYKVDLF-HOTGVXAUSA-N 2 2 316.493 3.603 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CCc4ccsc4C3)c2)c[nH+]1 ZINC000346172553 335377465 /nfs/dbraw/zinc/37/74/65/335377465.db2.gz JMHJZAJCDKDNSW-UHFFFAOYSA-N 2 2 301.440 3.554 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CCc4ccsc4C3)c2)c[nH+]1 ZINC000346172553 335377467 /nfs/dbraw/zinc/37/74/67/335377467.db2.gz JMHJZAJCDKDNSW-UHFFFAOYSA-N 2 2 301.440 3.554 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)Cc3cccs3)sc2C1 ZINC000346153703 335382639 /nfs/dbraw/zinc/38/26/39/335382639.db2.gz PWCFNDLNXUCOHT-UHFFFAOYSA-N 2 2 321.515 3.603 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)Cc3cccs3)sc2C1 ZINC000346153703 335382640 /nfs/dbraw/zinc/38/26/40/335382640.db2.gz PWCFNDLNXUCOHT-UHFFFAOYSA-N 2 2 321.515 3.603 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)Cc3cccs3)sc2C1 ZINC000346153703 335382642 /nfs/dbraw/zinc/38/26/42/335382642.db2.gz PWCFNDLNXUCOHT-UHFFFAOYSA-N 2 2 321.515 3.603 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)Cc3cccs3)sc2C1 ZINC000346153703 335382644 /nfs/dbraw/zinc/38/26/44/335382644.db2.gz PWCFNDLNXUCOHT-UHFFFAOYSA-N 2 2 321.515 3.603 20 0 DHADLP c1cn(CC[N@H+]2CC=C(c3cccc4ccccc43)CC2)c[nH+]1 ZINC000346318215 335399599 /nfs/dbraw/zinc/39/95/99/335399599.db2.gz WVHGPONAIDTYJF-UHFFFAOYSA-N 2 2 303.409 3.826 20 0 DHADLP c1cn(CC[N@@H+]2CC=C(c3cccc4ccccc43)CC2)c[nH+]1 ZINC000346318215 335399601 /nfs/dbraw/zinc/39/96/01/335399601.db2.gz WVHGPONAIDTYJF-UHFFFAOYSA-N 2 2 303.409 3.826 20 0 DHADLP C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346527791 335418646 /nfs/dbraw/zinc/41/86/46/335418646.db2.gz OPVGHQPBRGJWLM-LLVKDONJSA-N 2 2 318.833 3.833 20 0 DHADLP Cc1csc(C2([NH2+]C3CC[NH+](C(C)(C)C)CC3)CCC2)n1 ZINC000346657471 335427375 /nfs/dbraw/zinc/42/73/75/335427375.db2.gz RGWICBJVRNEQSF-UHFFFAOYSA-N 2 2 307.507 3.683 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+]CC1(SC)CC1)c1cccc(OC)c1 ZINC000347930580 335539417 /nfs/dbraw/zinc/53/94/17/335539417.db2.gz YNMPMJBJNGNPNC-QGZVFWFLSA-N 2 2 322.518 3.563 20 0 DHADLP c1cn(Cc2ccc(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)cc2)c[nH+]1 ZINC000348236831 335572459 /nfs/dbraw/zinc/57/24/59/335572459.db2.gz BYKWHOVOVYUFEQ-LEWJYISDSA-N 2 2 317.436 3.825 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CCC2 ZINC000166124010 335580063 /nfs/dbraw/zinc/58/00/63/335580063.db2.gz PZUDOWJPCWPMNA-LJQANCHMSA-N 2 2 318.424 3.743 20 0 DHADLP CSCc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000348795121 335610505 /nfs/dbraw/zinc/61/05/05/335610505.db2.gz BZSYUJACBSXIPD-UHFFFAOYSA-N 2 2 300.471 3.975 20 0 DHADLP C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348803235 335610999 /nfs/dbraw/zinc/61/09/99/335610999.db2.gz QBBZEXKTTBQMBI-CQSZACIVSA-N 2 2 317.396 3.932 20 0 DHADLP C[C@@H](CCc1ccccc1F)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348851209 335613586 /nfs/dbraw/zinc/61/35/86/335613586.db2.gz YBMYKEWRBNWMRM-HNNXBMFYSA-N 2 2 324.403 3.899 20 0 DHADLP Fc1ccc(/C=C/C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000349965362 335714500 /nfs/dbraw/zinc/71/45/00/335714500.db2.gz FNUVKDHIRIKYHH-OWOJBTEDSA-N 2 2 303.356 3.581 20 0 DHADLP Fc1ccccc1C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000191691956 335828337 /nfs/dbraw/zinc/82/83/37/335828337.db2.gz MBWKOBMGMXCJRF-IBGZPJMESA-N 2 2 309.388 3.596 20 0 DHADLP C[NH+](C)[C@@]1(C[NH2+][C@@H](CC2CC2)c2ccccc2)CCSC1 ZINC000532248529 335926285 /nfs/dbraw/zinc/92/62/85/335926285.db2.gz VYZHBVKGVXSDPL-ZWKOTPCHSA-N 2 2 304.503 3.555 20 0 DHADLP Cc1cc(C)c(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c(C)c1 ZINC000351550879 336042821 /nfs/dbraw/zinc/04/28/21/336042821.db2.gz PZDQSXJGEGHYBN-UHFFFAOYSA-N 2 2 306.413 3.864 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]CCCCOc2ccccc2)[C@@H]1c1ccccc1 ZINC000526112753 336157883 /nfs/dbraw/zinc/15/78/83/336157883.db2.gz HQGPMIIFRAEWSM-RTWAWAEBSA-N 2 2 324.468 3.881 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]CCCCOc2ccccc2)[C@@H]1c1ccccc1 ZINC000526112753 336157884 /nfs/dbraw/zinc/15/78/84/336157884.db2.gz HQGPMIIFRAEWSM-RTWAWAEBSA-N 2 2 324.468 3.881 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(F)cc1 ZINC000352242193 336206103 /nfs/dbraw/zinc/20/61/03/336206103.db2.gz PFZXLSKFMALYGE-QGZVFWFLSA-N 2 2 321.465 3.831 20 0 DHADLP CCc1ccccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352357589 336214051 /nfs/dbraw/zinc/21/40/51/336214051.db2.gz NVXGRYHATZVUQL-UHFFFAOYSA-N 2 2 310.441 3.996 20 0 DHADLP Cc1cc(NCCn2cc[nH+]c2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000352385475 336215620 /nfs/dbraw/zinc/21/56/20/336215620.db2.gz HWDCDUATDMBTNI-UHFFFAOYSA-N 2 2 300.793 3.814 20 0 DHADLP Cc1oc2ccccc2c1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352732656 336232746 /nfs/dbraw/zinc/23/27/46/336232746.db2.gz OSKAIVOJMCQXOQ-UHFFFAOYSA-N 2 2 315.442 3.549 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCc3c2cccc3Cl)s1 ZINC000352773210 336235587 /nfs/dbraw/zinc/23/55/87/336235587.db2.gz SXGAHIHJCTYDDO-OAHLLOKOSA-N 2 2 321.877 3.635 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1c3cc(C)ccc3C[C@@H]1C)CCC2 ZINC000352782307 336236186 /nfs/dbraw/zinc/23/61/86/336236186.db2.gz HCVXMCGMPMVHDP-UCLAIMLFSA-N 2 2 309.457 3.900 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1c3cc(C)ccc3C[C@@H]1C)CCC2 ZINC000352782305 336236339 /nfs/dbraw/zinc/23/63/39/336236339.db2.gz HCVXMCGMPMVHDP-POZUXBRTSA-N 2 2 309.457 3.900 20 0 DHADLP CCc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)on1 ZINC000532522001 336252079 /nfs/dbraw/zinc/25/20/79/336252079.db2.gz KQJUYERGHIXAAB-CYBMUJFWSA-N 2 2 310.401 3.582 20 0 DHADLP c1ccc(C([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000192838378 336265327 /nfs/dbraw/zinc/26/53/27/336265327.db2.gz VSCWOBTXAHRKMW-UHFFFAOYSA-N 2 2 306.453 3.992 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000192845924 336267959 /nfs/dbraw/zinc/26/79/59/336267959.db2.gz IHGFPLSCLQUCSY-LPHOPBHVSA-N 2 2 310.441 3.707 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000192845924 336267960 /nfs/dbraw/zinc/26/79/60/336267960.db2.gz IHGFPLSCLQUCSY-LPHOPBHVSA-N 2 2 310.441 3.707 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352855711 336280923 /nfs/dbraw/zinc/28/09/23/336280923.db2.gz YSSPWRAGWMVJMZ-GFCCVEGCSA-N 2 2 321.515 3.777 20 0 DHADLP Cc1cc(NCCCc2[nH]c3ccccc3[nH+]2)nc(C(C)C)[nH+]1 ZINC000301063446 336288019 /nfs/dbraw/zinc/28/80/19/336288019.db2.gz BJPXDFSUZTWVTE-UHFFFAOYSA-N 2 2 309.417 3.829 20 0 DHADLP Cc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)nc(C(C)C)[nH+]1 ZINC000301070789 336288360 /nfs/dbraw/zinc/28/83/60/336288360.db2.gz GVZOXYOQZCHBQE-UHFFFAOYSA-N 2 2 321.428 3.765 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)nc[nH+]1 ZINC000301253646 336296972 /nfs/dbraw/zinc/29/69/72/336296972.db2.gz QIIOYJQHHJTLNK-IYBDPMFKSA-N 2 2 324.472 3.875 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc[nH+]1 ZINC000301253646 336296973 /nfs/dbraw/zinc/29/69/73/336296973.db2.gz QIIOYJQHHJTLNK-IYBDPMFKSA-N 2 2 324.472 3.875 20 0 DHADLP CCc1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000301349123 336301885 /nfs/dbraw/zinc/30/18/85/336301885.db2.gz LWANFBHURQTPCG-INIZCTEOSA-N 2 2 314.433 3.580 20 0 DHADLP C[C@@H]1C[N@H+](C(C)(C)CNc2cc[nH+]c3ccsc32)C[C@H](C)O1 ZINC000301377487 336303342 /nfs/dbraw/zinc/30/33/42/336303342.db2.gz WTXWSIXFBXLDBT-BETUJISGSA-N 2 2 319.474 3.596 20 0 DHADLP C[C@@H]1C[N@@H+](C(C)(C)CNc2cc[nH+]c3ccsc32)C[C@H](C)O1 ZINC000301377487 336303343 /nfs/dbraw/zinc/30/33/43/336303343.db2.gz WTXWSIXFBXLDBT-BETUJISGSA-N 2 2 319.474 3.596 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301500968 336310734 /nfs/dbraw/zinc/31/07/34/336310734.db2.gz ATLCVDGNGBREGQ-MAUKXSAKSA-N 2 2 322.456 3.677 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301500968 336310735 /nfs/dbraw/zinc/31/07/35/336310735.db2.gz ATLCVDGNGBREGQ-MAUKXSAKSA-N 2 2 322.456 3.677 20 0 DHADLP Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c2cc(F)ccc2[nH+]1 ZINC000301787573 336329857 /nfs/dbraw/zinc/32/98/57/336329857.db2.gz XDAPQUOJVCNXIF-OAHLLOKOSA-N 2 2 322.387 3.768 20 0 DHADLP CC(C)c1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000301852299 336334193 /nfs/dbraw/zinc/33/41/93/336334193.db2.gz GJXDSZDHWSHVSC-KGLIPLIRSA-N 2 2 302.466 3.761 20 0 DHADLP CC(C)c1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000301852299 336334194 /nfs/dbraw/zinc/33/41/94/336334194.db2.gz GJXDSZDHWSHVSC-KGLIPLIRSA-N 2 2 302.466 3.761 20 0 DHADLP Fc1ccc(C[NH+]2CCC(Nc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000301851609 336334203 /nfs/dbraw/zinc/33/42/03/336334203.db2.gz BIGYOIBHKYTHET-UHFFFAOYSA-N 2 2 324.403 3.779 20 0 DHADLP COc1cccc2c(N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc(C)[nH+]c12 ZINC000301973544 336340837 /nfs/dbraw/zinc/34/08/37/336340837.db2.gz AWVARJNRONIQDG-AWEZNQCLSA-N 2 2 322.412 3.659 20 0 DHADLP CCC[N@@H+]1CC[C@@H](CNc2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000301981089 336341160 /nfs/dbraw/zinc/34/11/60/336341160.db2.gz IQMGSHJVTYVXRT-AWEZNQCLSA-N 2 2 301.409 3.826 20 0 DHADLP CCC[N@H+]1CC[C@@H](CNc2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000301981089 336341161 /nfs/dbraw/zinc/34/11/61/336341161.db2.gz IQMGSHJVTYVXRT-AWEZNQCLSA-N 2 2 301.409 3.826 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000302046750 336345223 /nfs/dbraw/zinc/34/52/23/336345223.db2.gz NJLCBEPFHRKTPT-HZPDHXFCSA-N 2 2 312.461 3.654 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000302046750 336345224 /nfs/dbraw/zinc/34/52/24/336345224.db2.gz NJLCBEPFHRKTPT-HZPDHXFCSA-N 2 2 312.461 3.654 20 0 DHADLP CC(C)c1nc(NC[C@@H](C)Cn2cc[nH+]c2)cc(C(C)(C)C)[nH+]1 ZINC000302776479 336368553 /nfs/dbraw/zinc/36/85/53/336368553.db2.gz FPPLKGBFRZQQIB-CQSZACIVSA-N 2 2 315.465 3.842 20 0 DHADLP CC(C)c1nc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302896541 336373662 /nfs/dbraw/zinc/37/36/62/336373662.db2.gz PFWWPFQOKFWBEJ-CABCVRRESA-N 2 2 318.509 3.816 20 0 DHADLP CSc1cccc(F)c1C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000352926559 336377591 /nfs/dbraw/zinc/37/75/91/336377591.db2.gz WAESNDQHNLJKPA-UHFFFAOYSA-N 2 2 315.417 3.794 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+]CC(c1ccccc1)c1ccccc1)CC2 ZINC000352978439 336381035 /nfs/dbraw/zinc/38/10/35/336381035.db2.gz WHPYDVXSGDENDW-LJQANCHMSA-N 2 2 317.436 3.620 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCC(F)(F)CC1 ZINC000353293040 336388746 /nfs/dbraw/zinc/38/87/46/336388746.db2.gz QLSHQBCZDBDDND-ZDUSSCGKSA-N 2 2 311.420 3.566 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000353050006 336391586 /nfs/dbraw/zinc/39/15/86/336391586.db2.gz UPQUPGYLJMAUGE-DZGCQCFKSA-N 2 2 312.379 3.582 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000353050006 336391587 /nfs/dbraw/zinc/39/15/87/336391587.db2.gz UPQUPGYLJMAUGE-DZGCQCFKSA-N 2 2 312.379 3.582 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc(C)c1O ZINC000564005743 336398822 /nfs/dbraw/zinc/39/88/22/336398822.db2.gz QTPQLBAJTRPRIA-FXAWDEMLSA-N 2 2 324.468 3.934 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc(C)c1O ZINC000564005743 336398823 /nfs/dbraw/zinc/39/88/23/336398823.db2.gz QTPQLBAJTRPRIA-FXAWDEMLSA-N 2 2 324.468 3.934 20 0 DHADLP C[NH+]1CCC([NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000353344439 336412916 /nfs/dbraw/zinc/41/29/16/336412916.db2.gz JKUNJIWXBLASBX-HXUWFJFHSA-N 2 2 321.424 3.601 20 0 DHADLP CCN(CC)[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccco1 ZINC000354182613 336462709 /nfs/dbraw/zinc/46/27/09/336462709.db2.gz RVYLLHLHTUIJHD-GOSISDBHSA-N 2 2 315.461 3.588 20 0 DHADLP Cc1ccc(CCC[NH2+]CCc2c[nH]c3cccc(C)c23)c[nH+]1 ZINC000354345067 336467664 /nfs/dbraw/zinc/46/76/64/336467664.db2.gz BHDGYCFCZLWRRB-UHFFFAOYSA-N 2 2 307.441 3.945 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000354465501 336471901 /nfs/dbraw/zinc/47/19/01/336471901.db2.gz YABMOTQXKNFHJH-UHFFFAOYSA-N 2 2 317.864 3.851 20 0 DHADLP CCOCCC1(C[NH2+]CCCc2ccc(C)[nH+]c2)CCCC1 ZINC000354479054 336472492 /nfs/dbraw/zinc/47/24/92/336472492.db2.gz OLQQEPFTMICAIE-UHFFFAOYSA-N 2 2 304.478 3.899 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[C@H]1c1ccc(Cl)s1 ZINC000354636291 336477228 /nfs/dbraw/zinc/47/72/28/336477228.db2.gz SCZICKOAEKGPGQ-UMSGYPCISA-N 2 2 321.877 3.695 20 0 DHADLP Cc1cc2[nH]c(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)cc2c(C)c1 ZINC000359014026 336653206 /nfs/dbraw/zinc/65/32/06/336653206.db2.gz KIOVJMMMIHGIMS-OAHLLOKOSA-N 2 2 308.429 3.648 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2c(c1)COC2 ZINC000361015037 336733333 /nfs/dbraw/zinc/73/33/33/336733333.db2.gz YNUIGVAMKJNVNO-HNNXBMFYSA-N 2 2 311.429 3.655 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccccc1F ZINC000361050181 336735128 /nfs/dbraw/zinc/73/51/28/336735128.db2.gz GDNRZHRUQNXHTL-WMLDXEAASA-N 2 2 301.409 3.949 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000361328487 336751450 /nfs/dbraw/zinc/75/14/50/336751450.db2.gz MNPDOLMFPUQOGZ-CQSZACIVSA-N 2 2 311.433 3.589 20 0 DHADLP C[C@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000361485440 336758851 /nfs/dbraw/zinc/75/88/51/336758851.db2.gz NLPNTFGCXCQMTH-HKUYNNGSSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](c3ccccc3)[C@@H]1C)CCC2 ZINC000361896130 336777331 /nfs/dbraw/zinc/77/73/31/336777331.db2.gz FSPDOXGAUOXPRN-GDAAHCPNSA-N 2 2 309.457 3.851 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)c2ccccc21 ZINC000361973139 336780502 /nfs/dbraw/zinc/78/05/02/336780502.db2.gz WGDUXHHWGPMEBZ-JLSDUUJJSA-N 2 2 304.503 3.652 20 0 DHADLP FC(F)Sc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000370262177 336881189 /nfs/dbraw/zinc/88/11/89/336881189.db2.gz PPAICFHVWDOMDR-UHFFFAOYSA-N 2 2 323.412 3.824 20 0 DHADLP COCC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(C)o1 ZINC000371533060 336907242 /nfs/dbraw/zinc/90/72/42/336907242.db2.gz CYZYJOHFQNZONS-SFHVURJKSA-N 2 2 320.477 3.662 20 0 DHADLP COc1cccc2c(NCc3ccc[nH+]c3N(C)C)cc(C)[nH+]c12 ZINC000121304614 336944399 /nfs/dbraw/zinc/94/43/99/336944399.db2.gz GESTXGIIAFRFSV-UHFFFAOYSA-N 2 2 322.412 3.625 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1)CCC2 ZINC000374576652 336992865 /nfs/dbraw/zinc/99/28/65/336992865.db2.gz PPBWYDALQGFRKS-YOEHRIQHSA-N 2 2 315.436 3.819 20 0 DHADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000375063235 337002362 /nfs/dbraw/zinc/00/23/62/337002362.db2.gz VYUMDQHSPBULAY-LNLFQRSKSA-N 2 2 320.525 3.607 20 0 DHADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000375063235 337002363 /nfs/dbraw/zinc/00/23/63/337002363.db2.gz VYUMDQHSPBULAY-LNLFQRSKSA-N 2 2 320.525 3.607 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1csc(C(C)C)n1)CCC2 ZINC000375093550 337003138 /nfs/dbraw/zinc/00/31/38/337003138.db2.gz FIEOANRTKXSTEU-ZIAGYGMSSA-N 2 2 318.490 4.000 20 0 DHADLP FCCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000375528132 337012830 /nfs/dbraw/zinc/01/28/30/337012830.db2.gz JCUWWXXAJQTCRG-WBVHZDCISA-N 2 2 305.441 3.558 20 0 DHADLP FCCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000375528129 337012851 /nfs/dbraw/zinc/01/28/51/337012851.db2.gz JCUWWXXAJQTCRG-DOTOQJQBSA-N 2 2 305.441 3.558 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376729438 337040094 /nfs/dbraw/zinc/04/00/94/337040094.db2.gz PYWZLFNILDVSKQ-ZDUSSCGKSA-N 2 2 303.837 3.594 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ncc(C3CC3)o2)cc1 ZINC000376868021 337042957 /nfs/dbraw/zinc/04/29/57/337042957.db2.gz XSIWEELUFQZIRT-ZDUSSCGKSA-N 2 2 322.412 3.897 20 0 DHADLP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377257605 337049668 /nfs/dbraw/zinc/04/96/68/337049668.db2.gz PBPHFQRWKKKATD-NEWSRXKRSA-N 2 2 303.494 3.879 20 0 DHADLP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377257605 337049669 /nfs/dbraw/zinc/04/96/69/337049669.db2.gz PBPHFQRWKKKATD-NEWSRXKRSA-N 2 2 303.494 3.879 20 0 DHADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377411409 337052248 /nfs/dbraw/zinc/05/22/48/337052248.db2.gz LDZXCTHCLRUGGS-MNOVXSKESA-N 2 2 324.255 3.795 20 0 DHADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377411409 337052249 /nfs/dbraw/zinc/05/22/49/337052249.db2.gz LDZXCTHCLRUGGS-MNOVXSKESA-N 2 2 324.255 3.795 20 0 DHADLP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377640554 337057167 /nfs/dbraw/zinc/05/71/67/337057167.db2.gz BSGZJBVDXBBFLK-HKUYNNGSSA-N 2 2 303.494 3.565 20 0 DHADLP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377640554 337057168 /nfs/dbraw/zinc/05/71/68/337057168.db2.gz BSGZJBVDXBBFLK-HKUYNNGSSA-N 2 2 303.494 3.565 20 0 DHADLP CCCCCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377790198 337061170 /nfs/dbraw/zinc/06/11/70/337061170.db2.gz ZPWJMBDWJQDNQS-MRXNPFEDSA-N 2 2 313.445 3.626 20 0 DHADLP CCCCCOc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377790198 337061171 /nfs/dbraw/zinc/06/11/71/337061171.db2.gz ZPWJMBDWJQDNQS-MRXNPFEDSA-N 2 2 313.445 3.626 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)CCC2 ZINC000377830322 337062008 /nfs/dbraw/zinc/06/20/08/337062008.db2.gz CNQHSSGHNWNSTQ-CQSZACIVSA-N 2 2 323.362 3.878 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000377890700 337063523 /nfs/dbraw/zinc/06/35/23/337063523.db2.gz XWSPHLHVIFTYSR-LBPRGKRZSA-N 2 2 310.228 3.716 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000377890700 337063524 /nfs/dbraw/zinc/06/35/24/337063524.db2.gz XWSPHLHVIFTYSR-LBPRGKRZSA-N 2 2 310.228 3.716 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@H](C)CC(C)C)[C@H](C)C2)s1 ZINC000378184280 337067817 /nfs/dbraw/zinc/06/78/17/337067817.db2.gz SRUYTZPXRKFOJK-CPUCHLNUSA-N 2 2 309.523 3.686 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@H](C)CC(C)C)[C@H](C)C2)s1 ZINC000378184280 337067818 /nfs/dbraw/zinc/06/78/18/337067818.db2.gz SRUYTZPXRKFOJK-CPUCHLNUSA-N 2 2 309.523 3.686 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@H](C)CC(C)C)[C@@H](C)C2)s1 ZINC000378184283 337067883 /nfs/dbraw/zinc/06/78/83/337067883.db2.gz SRUYTZPXRKFOJK-VBQJREDUSA-N 2 2 309.523 3.686 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@H](C)CC(C)C)[C@@H](C)C2)s1 ZINC000378184283 337067884 /nfs/dbraw/zinc/06/78/84/337067884.db2.gz SRUYTZPXRKFOJK-VBQJREDUSA-N 2 2 309.523 3.686 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCC(C)CC2)CC1)c1ccccn1 ZINC000378333811 337070059 /nfs/dbraw/zinc/07/00/59/337070059.db2.gz ONSVUBBLTHTNEW-PQUAAJSLSA-N 2 2 301.478 3.775 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C)C2 ZINC000378609838 337076605 /nfs/dbraw/zinc/07/66/05/337076605.db2.gz LAKDIIPICULCHK-KBXCAEBGSA-N 2 2 319.399 3.771 20 0 DHADLP C[C@@H]1Oc2c(cccc2F)[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000360063477 337084918 /nfs/dbraw/zinc/08/49/18/337084918.db2.gz ZLUPRRGYUQIUMK-LRDDRELGSA-N 2 2 306.425 3.500 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3nc(C)sc31)CCC2 ZINC000360080603 337085074 /nfs/dbraw/zinc/08/50/74/337085074.db2.gz ZSOASVCLNFHHIA-KBPBESRZSA-N 2 2 316.474 3.501 20 0 DHADLP c1csc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000177232414 337155025 /nfs/dbraw/zinc/15/50/25/337155025.db2.gz RPYNFJJJADNCNM-OAHLLOKOSA-N 2 2 310.426 3.666 20 0 DHADLP c1csc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000177232414 337155026 /nfs/dbraw/zinc/15/50/26/337155026.db2.gz RPYNFJJJADNCNM-OAHLLOKOSA-N 2 2 310.426 3.666 20 0 DHADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177932698 337159210 /nfs/dbraw/zinc/15/92/10/337159210.db2.gz DJLHEPFWLZKILN-FQEVSTJZSA-N 2 2 321.399 3.848 20 0 DHADLP CCCC[C@H](COC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199658 337161257 /nfs/dbraw/zinc/16/12/57/337161257.db2.gz OVWBNIIVJQHQQX-NVXWUHKLSA-N 2 2 301.434 3.728 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1nc2c(s1)CCCC2 ZINC000179401107 337167800 /nfs/dbraw/zinc/16/78/00/337167800.db2.gz FEHIBZXRKVDSHB-CYBMUJFWSA-N 2 2 319.518 3.547 20 0 DHADLP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000179433004 337169349 /nfs/dbraw/zinc/16/93/49/337169349.db2.gz CEXVKOBPZVJRRY-HUUCEWRRSA-N 2 2 301.409 3.575 20 0 DHADLP c1ccc(C2([NH2+]C3CC[NH+](Cc4ccncc4)CC3)CCC2)cc1 ZINC000180350235 337173849 /nfs/dbraw/zinc/17/38/49/337173849.db2.gz ZOKROASCBXWRHX-UHFFFAOYSA-N 2 2 321.468 3.715 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000182089041 337184500 /nfs/dbraw/zinc/18/45/00/337184500.db2.gz MXAYZMYKPSSTSC-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000182089041 337184501 /nfs/dbraw/zinc/18/45/01/337184501.db2.gz MXAYZMYKPSSTSC-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000182065308 337186086 /nfs/dbraw/zinc/18/60/86/337186086.db2.gz BLULTVPVDNMKMH-UHFFFAOYSA-N 2 2 324.428 3.662 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000182065308 337186087 /nfs/dbraw/zinc/18/60/87/337186087.db2.gz BLULTVPVDNMKMH-UHFFFAOYSA-N 2 2 324.428 3.662 20 0 DHADLP Cc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC000182816801 337188402 /nfs/dbraw/zinc/18/84/02/337188402.db2.gz MBAABAFTHYZQMH-GOEBONIOSA-N 2 2 314.477 3.727 20 0 DHADLP Cc1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC000182816801 337188403 /nfs/dbraw/zinc/18/84/03/337188403.db2.gz MBAABAFTHYZQMH-GOEBONIOSA-N 2 2 314.477 3.727 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nccn2C(C)C)cc1 ZINC000183143149 337190169 /nfs/dbraw/zinc/19/01/69/337190169.db2.gz ZMZZKVMHYAGJHV-OAHLLOKOSA-N 2 2 323.444 3.809 20 0 DHADLP C[C@H]1C[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC[N@@H+]1C ZINC000182883757 337190673 /nfs/dbraw/zinc/19/06/73/337190673.db2.gz DMOWVSQAZGPVQQ-MAUKXSAKSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@H]1C[C@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC[N@H+]1C ZINC000182883757 337190674 /nfs/dbraw/zinc/19/06/74/337190674.db2.gz DMOWVSQAZGPVQQ-MAUKXSAKSA-N 2 2 324.472 3.781 20 0 DHADLP ClC(Cl)(Cl)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000184578557 337198718 /nfs/dbraw/zinc/19/87/18/337198718.db2.gz OTTWLDFGDLRWMG-GFCCVEGCSA-N 2 2 313.700 3.555 20 0 DHADLP ClC(Cl)(Cl)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000184578557 337198719 /nfs/dbraw/zinc/19/87/19/337198719.db2.gz OTTWLDFGDLRWMG-GFCCVEGCSA-N 2 2 313.700 3.555 20 0 DHADLP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000188024838 337270137 /nfs/dbraw/zinc/27/01/37/337270137.db2.gz OBLMQDDOTAMERN-IAGOWNOFSA-N 2 2 324.472 3.661 20 0 DHADLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000188026947 337270235 /nfs/dbraw/zinc/27/02/35/337270235.db2.gz MGNLLJIQRXDSGT-AEFFLSMTSA-N 2 2 301.478 3.604 20 0 DHADLP COc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000188762209 337275476 /nfs/dbraw/zinc/27/54/76/337275476.db2.gz WODHPXDNXLQVOO-OAHLLOKOSA-N 2 2 317.477 3.538 20 0 DHADLP Cc1ccc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)ccc2n1 ZINC000189632148 337280948 /nfs/dbraw/zinc/28/09/48/337280948.db2.gz OBFYMMFUZYRMEP-UHFFFAOYSA-N 2 2 309.457 3.603 20 0 DHADLP Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000191125359 337294397 /nfs/dbraw/zinc/29/43/97/337294397.db2.gz XBPUYVHKDIDSTP-SFHVURJKSA-N 2 2 323.371 3.625 20 0 DHADLP c1cn(-c2ccc(C[NH+]3CCC(c4ccncc4)CC3)cc2)c[nH+]1 ZINC000191664976 337298439 /nfs/dbraw/zinc/29/84/39/337298439.db2.gz AFCBPVOQAYVCCP-UHFFFAOYSA-N 2 2 318.424 3.647 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000192133635 337303154 /nfs/dbraw/zinc/30/31/54/337303154.db2.gz SIQYNXQFAJYDHW-UHFFFAOYSA-N 2 2 318.424 3.740 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000192133635 337303155 /nfs/dbraw/zinc/30/31/55/337303155.db2.gz SIQYNXQFAJYDHW-UHFFFAOYSA-N 2 2 318.424 3.740 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000192133510 337303192 /nfs/dbraw/zinc/30/31/92/337303192.db2.gz MWQSNSRQLCLSIE-UHFFFAOYSA-N 2 2 318.424 3.740 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000192133510 337303193 /nfs/dbraw/zinc/30/31/93/337303193.db2.gz MWQSNSRQLCLSIE-UHFFFAOYSA-N 2 2 318.424 3.740 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000192194038 337303905 /nfs/dbraw/zinc/30/39/05/337303905.db2.gz LHHCFFKGBGVVSC-KRWDZBQOSA-N 2 2 313.445 3.616 20 0 DHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(F)(F)F ZINC000398049697 337305007 /nfs/dbraw/zinc/30/50/07/337305007.db2.gz XCRRSLBQRUJFRG-OAHLLOKOSA-N 2 2 302.384 3.685 20 0 DHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(F)(F)F ZINC000398049697 337305008 /nfs/dbraw/zinc/30/50/08/337305008.db2.gz XCRRSLBQRUJFRG-OAHLLOKOSA-N 2 2 302.384 3.685 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)n1C ZINC000583764271 337331487 /nfs/dbraw/zinc/33/14/87/337331487.db2.gz CYBILAYOOZLXMW-UHFFFAOYSA-N 2 2 310.228 3.814 20 0 DHADLP Cc1c(Cl)c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)nc2ccccc12 ZINC000420361311 337499752 /nfs/dbraw/zinc/49/97/52/337499752.db2.gz MCFVQAGESCAFHC-INIZCTEOSA-N 2 2 317.864 3.674 20 0 DHADLP c1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc(C2CC2)c1 ZINC000421331935 337526876 /nfs/dbraw/zinc/52/68/76/337526876.db2.gz KMFHKURPIHLYCK-UHFFFAOYSA-N 2 2 321.468 3.713 20 0 DHADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000571904407 337581657 /nfs/dbraw/zinc/58/16/57/337581657.db2.gz DFMGEYNKJBZBAZ-SSHXOBKSSA-N 2 2 318.427 3.816 20 0 DHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000421842579 337653628 /nfs/dbraw/zinc/65/36/28/337653628.db2.gz LJEGJYQJFMREIQ-ZDUSSCGKSA-N 2 2 310.869 3.872 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])on1 ZINC000422782577 337686405 /nfs/dbraw/zinc/68/64/05/337686405.db2.gz JTSBDAVEFFCIMV-KDOFPFPSSA-N 2 2 315.461 3.626 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)on1 ZINC000422795061 337686908 /nfs/dbraw/zinc/68/69/08/337686908.db2.gz ZNWGCUZWXCWDCB-ZBFHGGJFSA-N 2 2 307.482 3.979 20 0 DHADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422909407 337690899 /nfs/dbraw/zinc/69/08/99/337690899.db2.gz FVDFVWRHPOVYSL-FDQGKXFDSA-N 2 2 320.440 3.852 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422988361 337693833 /nfs/dbraw/zinc/69/38/33/337693833.db2.gz IUSUEOPGDGYQKR-XIRDDKMYSA-N 2 2 324.415 3.656 20 0 DHADLP C[C@H]([NH2+]Cc1cc(Cl)sc1Cl)c1c[nH+]ccc1N ZINC000422999296 337694198 /nfs/dbraw/zinc/69/41/98/337694198.db2.gz XRSCXWVQZYMPEB-ZETCQYMHSA-N 2 2 302.230 3.713 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(-c2csc(C)n2)o1)[C@H]1CCCC[NH2+]1 ZINC000422950261 337694440 /nfs/dbraw/zinc/69/44/40/337694440.db2.gz VOIFDALHACAVLO-LSDHHAIUSA-N 2 2 319.474 3.722 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)c2ccccc21 ZINC000423042940 337696820 /nfs/dbraw/zinc/69/68/20/337696820.db2.gz MRLHKOZGKATADQ-FGTMMUONSA-N 2 2 312.388 3.774 20 0 DHADLP COc1cc(F)c([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1OC ZINC000423204095 337703820 /nfs/dbraw/zinc/70/38/20/337703820.db2.gz UJOZBRNOTKBWIA-CYBMUJFWSA-N 2 2 324.440 3.545 20 0 DHADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)c1ccccc1 ZINC000423254611 337707675 /nfs/dbraw/zinc/70/76/75/337707675.db2.gz YRKJBPBAMHIBKA-PKOBYXMFSA-N 2 2 305.425 3.835 20 0 DHADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1nc2c(s1)CCCC2 ZINC000423264024 337708016 /nfs/dbraw/zinc/70/80/16/337708016.db2.gz PNFAFVZRZSPPCK-IUODEOHRSA-N 2 2 307.507 3.580 20 0 DHADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000423264497 337708196 /nfs/dbraw/zinc/70/81/96/337708196.db2.gz CCOQQLDLODPJCX-SMDDNHRTSA-N 2 2 307.438 3.583 20 0 DHADLP CSC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000423274830 337708761 /nfs/dbraw/zinc/70/87/61/337708761.db2.gz MPODSQXWYHDICI-UONOGXRCSA-N 2 2 320.424 3.682 20 0 DHADLP CSc1cccc([C@H]([NH2+][C@@H](C)C[NH3+])c2ccc(F)c(F)c2)c1 ZINC000423381858 337717647 /nfs/dbraw/zinc/71/76/47/337717647.db2.gz ZWMWZMHTWIZRNF-GTNSWQLSSA-N 2 2 322.424 3.713 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1C[C@H]1c1ccccc1 ZINC000423433452 337718851 /nfs/dbraw/zinc/71/88/51/337718851.db2.gz RJAASLVSENHXEH-ZEWNOJEFSA-N 2 2 306.453 3.655 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3CCCC[NH2+]C3)cs2)cs1 ZINC000423568621 337725655 /nfs/dbraw/zinc/72/56/55/337725655.db2.gz VSIAHFQWXUSLSZ-FZMZJTMJSA-N 2 2 321.515 3.973 20 0 DHADLP CCC[C@](C)([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000423909585 337729573 /nfs/dbraw/zinc/72/95/73/337729573.db2.gz QMZASSUVQYLIAR-SFHVURJKSA-N 2 2 313.401 3.638 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CC12CC2 ZINC000527845185 337768415 /nfs/dbraw/zinc/76/84/15/337768415.db2.gz CRGNWZOSPYRVBN-KDOFPFPSSA-N 2 2 302.437 3.568 20 0 DHADLP CC1(C)CCC[C@@H]1CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000527918959 337774908 /nfs/dbraw/zinc/77/49/08/337774908.db2.gz PSYSPKQORFDSSF-GOSISDBHSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1cc(F)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000424150692 337776222 /nfs/dbraw/zinc/77/62/22/337776222.db2.gz ZFMFFDXVCIYIII-UHFFFAOYSA-N 2 2 308.416 3.770 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1OC(F)(F)F ZINC000424370496 337827744 /nfs/dbraw/zinc/82/77/44/337827744.db2.gz DJRDVEOEMNCVKO-RAIGVLPGSA-N 2 2 302.340 3.506 20 0 DHADLP CC[C@H](C[NH2+][C@H](c1ccc(OC)cc1)C1CC1)[NH+]1CCCC1 ZINC000536948276 337857728 /nfs/dbraw/zinc/85/77/28/337857728.db2.gz MOIMEDCZWRJPAC-MJGOQNOKSA-N 2 2 302.462 3.610 20 0 DHADLP CC(C)(C)c1ccc(CC[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000514929636 337974292 /nfs/dbraw/zinc/97/42/92/337974292.db2.gz WCPVCEJBUTWUTB-UHFFFAOYSA-N 2 2 311.473 3.849 20 0 DHADLP CCc1nc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)o1 ZINC000426324543 338027076 /nfs/dbraw/zinc/02/70/76/338027076.db2.gz FRDCNJNFTFGAEL-YOEHRIQHSA-N 2 2 319.493 3.678 20 0 DHADLP Cc1nc2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2s1 ZINC000426397188 338030535 /nfs/dbraw/zinc/03/05/35/338030535.db2.gz ROMQSUDIASWCFX-UHFFFAOYSA-N 2 2 312.442 3.638 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426743439 338040242 /nfs/dbraw/zinc/04/02/42/338040242.db2.gz UETYPPIVMRAVRU-UHFFFAOYSA-N 3 2 320.525 3.558 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426743439 338040243 /nfs/dbraw/zinc/04/02/43/338040243.db2.gz UETYPPIVMRAVRU-UHFFFAOYSA-N 3 2 320.525 3.558 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429027635 338069403 /nfs/dbraw/zinc/06/94/03/338069403.db2.gz BHMLGQHGSPMVEB-BBRMVZONSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429027635 338069404 /nfs/dbraw/zinc/06/94/04/338069404.db2.gz BHMLGQHGSPMVEB-BBRMVZONSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H](c1ccccc1Br)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429027635 338069405 /nfs/dbraw/zinc/06/94/05/338069405.db2.gz BHMLGQHGSPMVEB-BBRMVZONSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H](c1ccccc1Br)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429027635 338069406 /nfs/dbraw/zinc/06/94/06/338069406.db2.gz BHMLGQHGSPMVEB-BBRMVZONSA-N 2 2 323.278 3.538 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CCC1 ZINC000429454265 338081648 /nfs/dbraw/zinc/08/16/48/338081648.db2.gz ONPSBQJSDWIQKK-SCTDSRPQSA-N 2 2 318.505 3.924 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000429525175 338082947 /nfs/dbraw/zinc/08/29/47/338082947.db2.gz AKDVQHVGQOVDHK-LNLFQRSKSA-N 2 2 316.489 3.759 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000429525175 338082948 /nfs/dbraw/zinc/08/29/48/338082948.db2.gz AKDVQHVGQOVDHK-LNLFQRSKSA-N 2 2 316.489 3.759 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000429532624 338083096 /nfs/dbraw/zinc/08/30/96/338083096.db2.gz VBXNOSLWVLQWFG-ZDUSSCGKSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000429532624 338083097 /nfs/dbraw/zinc/08/30/97/338083097.db2.gz VBXNOSLWVLQWFG-ZDUSSCGKSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000429533805 338083311 /nfs/dbraw/zinc/08/33/11/338083311.db2.gz CKICSDSAFXQYCX-MRXNPFEDSA-N 2 2 315.486 3.726 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000429533805 338083312 /nfs/dbraw/zinc/08/33/12/338083312.db2.gz CKICSDSAFXQYCX-MRXNPFEDSA-N 2 2 315.486 3.726 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)co2)cc1 ZINC000429540509 338083454 /nfs/dbraw/zinc/08/34/54/338083454.db2.gz MNUOPPOXLOCQLA-GOSISDBHSA-N 2 2 313.445 3.566 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)co2)cc1 ZINC000429540509 338083455 /nfs/dbraw/zinc/08/34/55/338083455.db2.gz MNUOPPOXLOCQLA-GOSISDBHSA-N 2 2 313.445 3.566 20 0 DHADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431174612 338124851 /nfs/dbraw/zinc/12/48/51/338124851.db2.gz FDMOHZMPNCKHMD-MSOLQXFVSA-N 2 2 300.377 3.825 20 0 DHADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431174612 338124852 /nfs/dbraw/zinc/12/48/52/338124852.db2.gz FDMOHZMPNCKHMD-MSOLQXFVSA-N 2 2 300.377 3.825 20 0 DHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000431403440 338129882 /nfs/dbraw/zinc/12/98/82/338129882.db2.gz MHDUJYWWOFGHMJ-FUHWJXTLSA-N 2 2 324.403 3.570 20 0 DHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000431403440 338129883 /nfs/dbraw/zinc/12/98/83/338129883.db2.gz MHDUJYWWOFGHMJ-FUHWJXTLSA-N 2 2 324.403 3.570 20 0 DHADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432237706 338149577 /nfs/dbraw/zinc/14/95/77/338149577.db2.gz JOANWNUFHQOONU-SNVBAGLBSA-N 2 2 305.224 3.564 20 0 DHADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432237706 338149578 /nfs/dbraw/zinc/14/95/78/338149578.db2.gz JOANWNUFHQOONU-SNVBAGLBSA-N 2 2 305.224 3.564 20 0 DHADLP C[N@@H+](Cc1ccc(C(F)(F)F)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000432736248 338165072 /nfs/dbraw/zinc/16/50/72/338165072.db2.gz CKJGSHIDAZSJQG-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[N@H+](Cc1ccc(C(F)(F)F)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000432736248 338165073 /nfs/dbraw/zinc/16/50/73/338165073.db2.gz CKJGSHIDAZSJQG-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1ccc(C(F)(F)F)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000432736248 338165074 /nfs/dbraw/zinc/16/50/74/338165074.db2.gz CKJGSHIDAZSJQG-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1ccc(C(F)(F)F)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000432736248 338165075 /nfs/dbraw/zinc/16/50/75/338165075.db2.gz CKJGSHIDAZSJQG-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000432752479 338166495 /nfs/dbraw/zinc/16/64/95/338166495.db2.gz MBBNJTOPJBGOHC-WCQYABFASA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000432752479 338166496 /nfs/dbraw/zinc/16/64/96/338166496.db2.gz MBBNJTOPJBGOHC-WCQYABFASA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000432752479 338166497 /nfs/dbraw/zinc/16/64/97/338166497.db2.gz MBBNJTOPJBGOHC-WCQYABFASA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)[C@@H](C)C1 ZINC000432752479 338166498 /nfs/dbraw/zinc/16/64/98/338166498.db2.gz MBBNJTOPJBGOHC-WCQYABFASA-N 2 2 320.424 3.929 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)[nH+]c2c1 ZINC000432945362 338174530 /nfs/dbraw/zinc/17/45/30/338174530.db2.gz ZGGDEBFEPAFATB-QGZVFWFLSA-N 2 2 319.408 3.904 20 0 DHADLP Fc1cc(C[NH2+]Cc2cccc3[nH+]ccn32)c(F)cc1Cl ZINC000433184051 338184564 /nfs/dbraw/zinc/18/45/64/338184564.db2.gz WSBDBLRIDFPYBL-UHFFFAOYSA-N 2 2 307.731 3.556 20 0 DHADLP CCC(C)(C)CC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434749603 338224755 /nfs/dbraw/zinc/22/47/55/338224755.db2.gz WETJCVMKCUUXJT-ROUUACIJSA-N 2 2 303.494 3.833 20 0 DHADLP CCC(C)(C)CC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434749603 338224756 /nfs/dbraw/zinc/22/47/56/338224756.db2.gz WETJCVMKCUUXJT-ROUUACIJSA-N 2 2 303.494 3.833 20 0 DHADLP CCC(C)(C)CC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434749603 338224757 /nfs/dbraw/zinc/22/47/57/338224757.db2.gz WETJCVMKCUUXJT-ROUUACIJSA-N 2 2 303.494 3.833 20 0 DHADLP CCC(C)(C)CC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434749603 338224758 /nfs/dbraw/zinc/22/47/58/338224758.db2.gz WETJCVMKCUUXJT-ROUUACIJSA-N 2 2 303.494 3.833 20 0 DHADLP c1[nH]cc(C2CC[NH+](CCc3ccc4ccccc4c3)CC2)[nH+]1 ZINC000434984360 338228811 /nfs/dbraw/zinc/22/88/11/338228811.db2.gz WYENVIFHZAOUGH-UHFFFAOYSA-N 2 2 305.425 3.985 20 0 DHADLP CC[N@H+](Cc1nc(-c2ccccc2)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435378325 338238198 /nfs/dbraw/zinc/23/81/98/338238198.db2.gz CYMNOEKKRKVONB-INIZCTEOSA-N 2 2 315.486 3.774 20 0 DHADLP CC[N@@H+](Cc1nc(-c2ccccc2)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435378325 338238199 /nfs/dbraw/zinc/23/81/99/338238199.db2.gz CYMNOEKKRKVONB-INIZCTEOSA-N 2 2 315.486 3.774 20 0 DHADLP CC[N@H+](Cc1csc(-c2cccs2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435388357 338238776 /nfs/dbraw/zinc/23/87/76/338238776.db2.gz FLWWLPNAIIIWLY-CQSZACIVSA-N 2 2 321.515 3.836 20 0 DHADLP CC[N@@H+](Cc1csc(-c2cccs2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435388357 338238777 /nfs/dbraw/zinc/23/87/77/338238777.db2.gz FLWWLPNAIIIWLY-CQSZACIVSA-N 2 2 321.515 3.836 20 0 DHADLP CC[N@H+](Cc1nc(-c2ccsc2)oc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435617805 338243643 /nfs/dbraw/zinc/24/36/43/338243643.db2.gz WSRUIHXYCUOFOK-OAHLLOKOSA-N 2 2 319.474 3.676 20 0 DHADLP CC[N@@H+](Cc1nc(-c2ccsc2)oc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435617805 338243644 /nfs/dbraw/zinc/24/36/44/338243644.db2.gz WSRUIHXYCUOFOK-OAHLLOKOSA-N 2 2 319.474 3.676 20 0 DHADLP Fc1cccc2[nH]c(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)cc21 ZINC000436248060 338263477 /nfs/dbraw/zinc/26/34/77/338263477.db2.gz RPSPKZVZYOBABB-UHFFFAOYSA-N 2 2 320.371 3.783 20 0 DHADLP Fc1cccc2[nH]c(C[NH2+]CCCc3[nH]c4ccccc4[nH+]3)cc21 ZINC000436276600 338265163 /nfs/dbraw/zinc/26/51/63/338265163.db2.gz UEONJGHIIUAONV-UHFFFAOYSA-N 2 2 322.387 3.906 20 0 DHADLP CC1(C)CCc2ccccc2[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000436282596 338265570 /nfs/dbraw/zinc/26/55/70/338265570.db2.gz HQPZMROOQGMKPA-WMZOPIPTSA-N 2 2 309.457 3.891 20 0 DHADLP CC1(C)CCc2ccccc2[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000436282595 338265685 /nfs/dbraw/zinc/26/56/85/338265685.db2.gz HQPZMROOQGMKPA-SJLPKXTDSA-N 2 2 309.457 3.891 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436309767 338268425 /nfs/dbraw/zinc/26/84/25/338268425.db2.gz PRWUDVGIYMQENP-WIRVQXDCSA-N 2 2 304.865 3.658 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436309767 338268426 /nfs/dbraw/zinc/26/84/26/338268426.db2.gz PRWUDVGIYMQENP-WIRVQXDCSA-N 2 2 304.865 3.658 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[N@@H+]1CCCC[C@H]1C ZINC000438085227 338330467 /nfs/dbraw/zinc/33/04/67/338330467.db2.gz ASPGNWFQDUHWBP-KBUPBQIOSA-N 2 2 306.416 3.960 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[N@H+]1CCCC[C@H]1C ZINC000438085227 338330468 /nfs/dbraw/zinc/33/04/68/338330468.db2.gz ASPGNWFQDUHWBP-KBUPBQIOSA-N 2 2 306.416 3.960 20 0 DHADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2c(cccc2F)[nH]1 ZINC000438131395 338333768 /nfs/dbraw/zinc/33/37/68/338333768.db2.gz WKLRLPHGJIIEIU-HNNXBMFYSA-N 2 2 303.425 3.613 20 0 DHADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2c(cccc2F)[nH]1 ZINC000438131395 338333769 /nfs/dbraw/zinc/33/37/69/338333769.db2.gz WKLRLPHGJIIEIU-HNNXBMFYSA-N 2 2 303.425 3.613 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc2c(cccc2F)[nH]1 ZINC000438131395 338333770 /nfs/dbraw/zinc/33/37/70/338333770.db2.gz WKLRLPHGJIIEIU-HNNXBMFYSA-N 2 2 303.425 3.613 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc2c(cccc2F)[nH]1 ZINC000438131395 338333771 /nfs/dbraw/zinc/33/37/71/338333771.db2.gz WKLRLPHGJIIEIU-HNNXBMFYSA-N 2 2 303.425 3.613 20 0 DHADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2c(cccc2F)[nH]1 ZINC000438131397 338333879 /nfs/dbraw/zinc/33/38/79/338333879.db2.gz WKLRLPHGJIIEIU-OAHLLOKOSA-N 2 2 303.425 3.613 20 0 DHADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2c(cccc2F)[nH]1 ZINC000438131397 338333880 /nfs/dbraw/zinc/33/38/80/338333880.db2.gz WKLRLPHGJIIEIU-OAHLLOKOSA-N 2 2 303.425 3.613 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc2c(cccc2F)[nH]1 ZINC000438131397 338333881 /nfs/dbraw/zinc/33/38/81/338333881.db2.gz WKLRLPHGJIIEIU-OAHLLOKOSA-N 2 2 303.425 3.613 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc2c(cccc2F)[nH]1 ZINC000438131397 338333882 /nfs/dbraw/zinc/33/38/82/338333882.db2.gz WKLRLPHGJIIEIU-OAHLLOKOSA-N 2 2 303.425 3.613 20 0 DHADLP c1ccc(OCCCC[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000438202036 338336384 /nfs/dbraw/zinc/33/63/84/338336384.db2.gz NPFMBXULXZOQMG-UHFFFAOYSA-N 2 2 323.440 3.944 20 0 DHADLP COC[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1CCCC1 ZINC000446759911 338535205 /nfs/dbraw/zinc/53/52/05/338535205.db2.gz QPXJCTHTDUYUDR-WOJBJXKFSA-N 2 2 316.489 3.618 20 0 DHADLP Cn1c[nH+]c2cc(N[C@@H](c3[nH]cc[nH+]3)c3ccc(F)cc3)ccc21 ZINC000446915252 338540372 /nfs/dbraw/zinc/54/03/72/338540372.db2.gz UENIMOTYKYPRBY-QGZVFWFLSA-N 2 2 321.359 3.637 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1 ZINC000467309250 338546390 /nfs/dbraw/zinc/54/63/90/338546390.db2.gz POMLHDUOGRBEIS-QRVBRYPASA-N 2 2 317.521 3.982 20 0 DHADLP COc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc2ccccc21 ZINC000449016266 338583867 /nfs/dbraw/zinc/58/38/67/338583867.db2.gz GVEFJWWFWUWBRG-UHFFFAOYSA-N 2 2 312.457 3.811 20 0 DHADLP Cc1cccnc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449069155 338590317 /nfs/dbraw/zinc/59/03/17/338590317.db2.gz DXHWLUVEAPBYCA-SFHVURJKSA-N 2 2 323.484 3.575 20 0 DHADLP CC[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449404975 338621578 /nfs/dbraw/zinc/62/15/78/338621578.db2.gz HITNBNOQIQZUFF-ROUUACIJSA-N 2 2 315.505 3.852 20 0 DHADLP COc1cc(F)cc(C[C@H](C)[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000449780476 338652453 /nfs/dbraw/zinc/65/24/53/338652453.db2.gz FZZVLOKZOMULFG-HNNXBMFYSA-N 2 2 316.420 3.691 20 0 DHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C(C)C)s1 ZINC000450751746 338703478 /nfs/dbraw/zinc/70/34/78/338703478.db2.gz DSUGUYVSZCCYEG-HUUCEWRRSA-N 2 2 324.538 3.652 20 0 DHADLP CC(C)Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cn[nH]c2)[NH+](C)C)cc1 ZINC000453241197 338812923 /nfs/dbraw/zinc/81/29/23/338812923.db2.gz YTDHGLKUNOZGCF-HNAYVOBHSA-N 2 2 314.477 3.562 20 0 DHADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000459356440 339024123 /nfs/dbraw/zinc/02/41/23/339024123.db2.gz NXPGRYUGAKNPJG-IBGZPJMESA-N 2 2 317.452 3.691 20 0 DHADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000459356440 339024124 /nfs/dbraw/zinc/02/41/24/339024124.db2.gz NXPGRYUGAKNPJG-IBGZPJMESA-N 2 2 317.452 3.691 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459360854 339024496 /nfs/dbraw/zinc/02/44/96/339024496.db2.gz ZFDCKADPJWUMBO-HNNXBMFYSA-N 2 2 311.420 3.908 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459360854 339024497 /nfs/dbraw/zinc/02/44/97/339024497.db2.gz ZFDCKADPJWUMBO-HNNXBMFYSA-N 2 2 311.420 3.908 20 0 DHADLP FC1(F)CCC(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)CC1 ZINC000459433785 339029005 /nfs/dbraw/zinc/02/90/05/339029005.db2.gz TXJGSOWNMUXFED-HNNXBMFYSA-N 2 2 323.431 3.834 20 0 DHADLP FC1(F)CCC(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)CC1 ZINC000459433785 339029006 /nfs/dbraw/zinc/02/90/06/339029006.db2.gz TXJGSOWNMUXFED-HNNXBMFYSA-N 2 2 323.431 3.834 20 0 DHADLP Cc1ccc(CC2CC[NH+](CCc3c[nH+]cn3C)CC2)cc1C ZINC000459486935 339032266 /nfs/dbraw/zinc/03/22/66/339032266.db2.gz GNTRUXKUZGUIIS-UHFFFAOYSA-N 2 2 311.473 3.534 20 0 DHADLP Cc1cc(F)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000459551526 339035345 /nfs/dbraw/zinc/03/53/45/339035345.db2.gz OSFJVJHAIIHPCL-GFCCVEGCSA-N 2 2 307.800 3.511 20 0 DHADLP Cc1cc(F)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000459551526 339035346 /nfs/dbraw/zinc/03/53/46/339035346.db2.gz OSFJVJHAIIHPCL-GFCCVEGCSA-N 2 2 307.800 3.511 20 0 DHADLP Clc1ccccc1CC1C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000459560199 339035720 /nfs/dbraw/zinc/03/57/20/339035720.db2.gz LIJFWOCOXSQTJE-UHFFFAOYSA-N 2 2 311.816 3.662 20 0 DHADLP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459662773 339041446 /nfs/dbraw/zinc/04/14/46/339041446.db2.gz NYIUSZRNUOULHF-SFHVURJKSA-N 2 2 319.880 3.863 20 0 DHADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C1CCCC1 ZINC000459770198 339047456 /nfs/dbraw/zinc/04/74/56/339047456.db2.gz MTBJESYGXUXCKJ-FQEVSTJZSA-N 2 2 315.505 3.995 20 0 DHADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C1CCC1 ZINC000459777759 339048017 /nfs/dbraw/zinc/04/80/17/339048017.db2.gz YIIMBGFBDDMZSI-IBGZPJMESA-N 2 2 301.478 3.604 20 0 DHADLP CCC(C)(C)C1CCC([NH2+]C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000462744748 339086419 /nfs/dbraw/zinc/08/64/19/339086419.db2.gz MNLKRWWGXPGVIY-AOCRQIFASA-N 2 2 310.526 3.539 20 0 DHADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462793868 339089134 /nfs/dbraw/zinc/08/91/34/339089134.db2.gz SLVCAUQWXMJTPF-QGZVFWFLSA-N 2 2 316.489 3.545 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CCSC1 ZINC000464079039 339133446 /nfs/dbraw/zinc/13/34/46/339133446.db2.gz SZJZBTHLIHLULX-AOIWGVFYSA-N 2 2 318.530 3.596 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC000467312705 339231454 /nfs/dbraw/zinc/23/14/54/339231454.db2.gz IAJJZPCYKRUYLA-OTWHNJEPSA-N 2 2 315.505 3.880 20 0 DHADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@@H]1[NH3+] ZINC000469998324 339307747 /nfs/dbraw/zinc/30/77/47/339307747.db2.gz DBFKVQKFLACCIH-DYVFJYSZSA-N 2 2 322.880 3.831 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@@H]1[NH3+] ZINC000469998324 339307748 /nfs/dbraw/zinc/30/77/48/339307748.db2.gz DBFKVQKFLACCIH-DYVFJYSZSA-N 2 2 322.880 3.831 20 0 DHADLP C[N@H+](Cc1cc(Cl)ccc1OC1CCCC1)C1CC[NH2+]CC1 ZINC000470009903 339308329 /nfs/dbraw/zinc/30/83/29/339308329.db2.gz VJRAYCNODKFNKS-UHFFFAOYSA-N 2 2 322.880 3.845 20 0 DHADLP C[N@@H+](Cc1cc(Cl)ccc1OC1CCCC1)C1CC[NH2+]CC1 ZINC000470009903 339308330 /nfs/dbraw/zinc/30/83/30/339308330.db2.gz VJRAYCNODKFNKS-UHFFFAOYSA-N 2 2 322.880 3.845 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC000470161492 339312179 /nfs/dbraw/zinc/31/21/79/339312179.db2.gz SHCRVWAGPFDWHT-XLIONFOSSA-N 2 2 316.489 3.618 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC000470161492 339312180 /nfs/dbraw/zinc/31/21/80/339312180.db2.gz SHCRVWAGPFDWHT-XLIONFOSSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000471593493 339348596 /nfs/dbraw/zinc/34/85/96/339348596.db2.gz KRKSLXRHEXNJOJ-XHSDSOJGSA-N 2 2 304.503 3.690 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000471593493 339348597 /nfs/dbraw/zinc/34/85/97/339348597.db2.gz KRKSLXRHEXNJOJ-XHSDSOJGSA-N 2 2 304.503 3.690 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000471596519 339348826 /nfs/dbraw/zinc/34/88/26/339348826.db2.gz YBQBKZWZIAHLPA-MPGHIAIKSA-N 2 2 304.503 3.548 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000471596519 339348827 /nfs/dbraw/zinc/34/88/27/339348827.db2.gz YBQBKZWZIAHLPA-MPGHIAIKSA-N 2 2 304.503 3.548 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000471596521 339348861 /nfs/dbraw/zinc/34/88/61/339348861.db2.gz YBQBKZWZIAHLPA-RVKKMQEKSA-N 2 2 304.503 3.548 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000471596521 339348862 /nfs/dbraw/zinc/34/88/62/339348862.db2.gz YBQBKZWZIAHLPA-RVKKMQEKSA-N 2 2 304.503 3.548 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)[C@@H](c1ccccc1)[NH+](C)C ZINC000472036695 339359902 /nfs/dbraw/zinc/35/99/02/339359902.db2.gz FFBFXCSPBZSJGD-QRWLVFNGSA-N 2 2 307.441 3.949 20 0 DHADLP Cc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000472081241 339363123 /nfs/dbraw/zinc/36/31/23/339363123.db2.gz ZDCCTPFOVBOVMQ-DNVCBOLYSA-N 2 2 300.421 3.915 20 0 DHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2c(F)cccc2Cl)C1 ZINC000472464968 339372510 /nfs/dbraw/zinc/37/25/10/339372510.db2.gz KBTVUIMDIOEEIZ-OAHLLOKOSA-N 2 2 324.871 3.685 20 0 DHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2c(F)cccc2Cl)C1 ZINC000472464968 339372511 /nfs/dbraw/zinc/37/25/11/339372511.db2.gz KBTVUIMDIOEEIZ-OAHLLOKOSA-N 2 2 324.871 3.685 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000472464968 339372512 /nfs/dbraw/zinc/37/25/12/339372512.db2.gz KBTVUIMDIOEEIZ-OAHLLOKOSA-N 2 2 324.871 3.685 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000472464968 339372513 /nfs/dbraw/zinc/37/25/13/339372513.db2.gz KBTVUIMDIOEEIZ-OAHLLOKOSA-N 2 2 324.871 3.685 20 0 DHADLP Cc1ccc2[nH]c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2c1C ZINC000473146425 339382716 /nfs/dbraw/zinc/38/27/16/339382716.db2.gz UBNBKTVSXRJTES-OXJNMPFZSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1ccc2[nH]c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2c1C ZINC000473146425 339382717 /nfs/dbraw/zinc/38/27/17/339382717.db2.gz UBNBKTVSXRJTES-OXJNMPFZSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2c1C ZINC000473146425 339382718 /nfs/dbraw/zinc/38/27/18/339382718.db2.gz UBNBKTVSXRJTES-OXJNMPFZSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2c1C ZINC000473146425 339382719 /nfs/dbraw/zinc/38/27/19/339382719.db2.gz UBNBKTVSXRJTES-OXJNMPFZSA-N 2 2 311.473 3.701 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCc1cc[nH+]cc1C ZINC000474045019 339398790 /nfs/dbraw/zinc/39/87/90/339398790.db2.gz NLUWIFDBVXHWRE-IBGZPJMESA-N 2 2 310.441 3.953 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)C1CCC(F)(F)CC1 ZINC000474056173 339399656 /nfs/dbraw/zinc/39/96/56/339399656.db2.gz LIHKSOPWHJRVFB-QAPCUYQASA-N 2 2 324.459 3.963 20 0 DHADLP CC(C)[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000474877941 339429592 /nfs/dbraw/zinc/42/95/92/339429592.db2.gz NOSGPTUTLIXLPB-LJQANCHMSA-N 2 2 307.441 3.906 20 0 DHADLP C[C@H](C[NH2+]CCCCc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000474895149 339430288 /nfs/dbraw/zinc/43/02/88/339430288.db2.gz VHHAIKDLTKHMLU-CYBMUJFWSA-N 2 2 302.384 3.568 20 0 DHADLP Fc1ccccc1CCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000475566511 339455733 /nfs/dbraw/zinc/45/57/33/339455733.db2.gz HZQTURISIQIOMA-UHFFFAOYSA-N 2 2 315.417 3.795 20 0 DHADLP COC[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C(C)C ZINC000479877704 339552376 /nfs/dbraw/zinc/55/23/76/339552376.db2.gz YQKNZBPLBQGLJQ-IRXDYDNUSA-N 2 2 324.534 3.782 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000481963485 339618077 /nfs/dbraw/zinc/61/80/77/339618077.db2.gz QYMRWASEHDWDQI-JXFKEZNVSA-N 2 2 312.457 3.957 20 0 DHADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000482437992 339631275 /nfs/dbraw/zinc/63/12/75/339631275.db2.gz LSFUVPLKCFQJJG-IEBWSBKVSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000499707151 340043030 /nfs/dbraw/zinc/04/30/30/340043030.db2.gz QTELVYSMTQUYNE-RFGFWPKPSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000499707151 340043031 /nfs/dbraw/zinc/04/30/31/340043031.db2.gz QTELVYSMTQUYNE-RFGFWPKPSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000500241552 340053812 /nfs/dbraw/zinc/05/38/12/340053812.db2.gz JCBATCQXKCGKSF-WMLDXEAASA-N 2 2 308.416 3.817 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C2CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000500241552 340053813 /nfs/dbraw/zinc/05/38/13/340053813.db2.gz JCBATCQXKCGKSF-WMLDXEAASA-N 2 2 308.416 3.817 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000501402395 340080203 /nfs/dbraw/zinc/08/02/03/340080203.db2.gz BAVGHYWBRGYDQC-SSUFTNFISA-N 2 2 323.362 3.984 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000501414368 340080321 /nfs/dbraw/zinc/08/03/21/340080321.db2.gz UURTXVLTTBXYOB-SJORKVTESA-N 2 2 324.534 3.924 20 0 DHADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC34CCC4)c(C)c2)CC1 ZINC000502362576 340100641 /nfs/dbraw/zinc/10/06/41/340100641.db2.gz ACRIAVPHXWIIOB-LJQANCHMSA-N 2 2 313.489 3.882 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000502696269 340111120 /nfs/dbraw/zinc/11/11/20/340111120.db2.gz IYTLTAXKGFWZOK-ZCNNSNEGSA-N 2 2 316.489 3.618 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000502706799 340111650 /nfs/dbraw/zinc/11/16/50/340111650.db2.gz JDHZWNXHMSUUOX-YESZJQIVSA-N 2 2 322.518 3.680 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H]1CCOC)c1ccccc1 ZINC000502708996 340111840 /nfs/dbraw/zinc/11/18/40/340111840.db2.gz SDXAYEOXRTXBOA-YSIASYRMSA-N 2 2 318.505 3.864 20 0 DHADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000503577870 340131470 /nfs/dbraw/zinc/13/14/70/340131470.db2.gz ZVOMSANVNUKYCW-UHFFFAOYSA-N 2 2 302.418 3.749 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000504927996 340156465 /nfs/dbraw/zinc/15/64/65/340156465.db2.gz XQLBCHCOAOGILS-VXNCWWDNSA-N 2 2 316.489 3.632 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000504927996 340156466 /nfs/dbraw/zinc/15/64/66/340156466.db2.gz XQLBCHCOAOGILS-VXNCWWDNSA-N 2 2 316.489 3.632 20 0 DHADLP Fc1ccc(/C=C\C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000506339471 340192709 /nfs/dbraw/zinc/19/27/09/340192709.db2.gz KDUIWAYIHRUGQN-PLNGDYQASA-N 2 2 302.437 3.789 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000507468702 340221210 /nfs/dbraw/zinc/22/12/10/340221210.db2.gz HUVGTVIGOJNZPV-UHFFFAOYSA-N 2 2 320.786 3.846 20 0 DHADLP CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507491725 340222599 /nfs/dbraw/zinc/22/25/99/340222599.db2.gz CSJRGOZWRDJYLF-ZFWWWQNUSA-N 2 2 306.416 3.962 20 0 DHADLP Cc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1Cl ZINC000507802754 340232150 /nfs/dbraw/zinc/23/21/50/340232150.db2.gz IANLUMIXOYYRPO-KRWDZBQOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1Cl ZINC000507802754 340232151 /nfs/dbraw/zinc/23/21/51/340232151.db2.gz IANLUMIXOYYRPO-KRWDZBQOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1Cl ZINC000507802754 340232152 /nfs/dbraw/zinc/23/21/52/340232152.db2.gz IANLUMIXOYYRPO-KRWDZBQOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1Cl ZINC000507802754 340232153 /nfs/dbraw/zinc/23/21/53/340232153.db2.gz IANLUMIXOYYRPO-KRWDZBQOSA-N 2 2 306.881 3.812 20 0 DHADLP C/C(=C/c1ccccc1)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000508620223 340248422 /nfs/dbraw/zinc/24/84/22/340248422.db2.gz IGFQHUSWCVVOGN-BLMOFCDVSA-N 2 2 309.457 3.778 20 0 DHADLP C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000508620223 340248423 /nfs/dbraw/zinc/24/84/23/340248423.db2.gz IGFQHUSWCVVOGN-BLMOFCDVSA-N 2 2 309.457 3.778 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC=C(c2ccccc2Cl)CC1 ZINC000509466936 340270512 /nfs/dbraw/zinc/27/05/12/340270512.db2.gz WMFTVUPDFQXKAS-INIZCTEOSA-N 2 2 304.865 3.913 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC=C(c2ccccc2Cl)CC1 ZINC000509466936 340270513 /nfs/dbraw/zinc/27/05/13/340270513.db2.gz WMFTVUPDFQXKAS-INIZCTEOSA-N 2 2 304.865 3.913 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509466936 340270514 /nfs/dbraw/zinc/27/05/14/340270514.db2.gz WMFTVUPDFQXKAS-INIZCTEOSA-N 2 2 304.865 3.913 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509466936 340270515 /nfs/dbraw/zinc/27/05/15/340270515.db2.gz WMFTVUPDFQXKAS-INIZCTEOSA-N 2 2 304.865 3.913 20 0 DHADLP C(=C/c1ccccc1)\C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000302977041 340291688 /nfs/dbraw/zinc/29/16/88/340291688.db2.gz LLAHLAMOWZAUDJ-RZBOESAMSA-N 2 2 306.453 3.954 20 0 DHADLP C(=C/c1ccccc1)\C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000302977041 340291689 /nfs/dbraw/zinc/29/16/89/340291689.db2.gz LLAHLAMOWZAUDJ-RZBOESAMSA-N 2 2 306.453 3.954 20 0 DHADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510729243 340308411 /nfs/dbraw/zinc/30/84/11/340308411.db2.gz CRKTXPAHHHITOY-HBUWYVDXSA-N 2 2 310.432 3.604 20 0 DHADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510729243 340308412 /nfs/dbraw/zinc/30/84/12/340308412.db2.gz CRKTXPAHHHITOY-HBUWYVDXSA-N 2 2 310.432 3.604 20 0 DHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH+]1CCCC1 ZINC000510737903 340308888 /nfs/dbraw/zinc/30/88/88/340308888.db2.gz PWCYVGNCCOERFL-AWEZNQCLSA-N 2 2 314.395 3.712 20 0 DHADLP Fc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303183365 340310619 /nfs/dbraw/zinc/31/06/19/340310619.db2.gz KRUDRZZWXFQNFS-KRWDZBQOSA-N 2 2 304.453 3.914 20 0 DHADLP Fc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303183365 340310620 /nfs/dbraw/zinc/31/06/20/340310620.db2.gz KRUDRZZWXFQNFS-KRWDZBQOSA-N 2 2 304.453 3.914 20 0 DHADLP C[N@@H+](Cc1cnc(-c2ccccc2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000172584352 340331787 /nfs/dbraw/zinc/33/17/87/340331787.db2.gz LYCRJFZKKXZHER-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP C[N@H+](Cc1cnc(-c2ccccc2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000172584352 340331788 /nfs/dbraw/zinc/33/17/88/340331788.db2.gz LYCRJFZKKXZHER-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](Cc1cnc(-c2ccccc2)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000172584352 340331789 /nfs/dbraw/zinc/33/17/89/340331789.db2.gz LYCRJFZKKXZHER-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](Cc1cnc(-c2ccccc2)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000172584352 340331790 /nfs/dbraw/zinc/33/17/90/340331790.db2.gz LYCRJFZKKXZHER-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511647448 340333823 /nfs/dbraw/zinc/33/38/23/340333823.db2.gz KDBVGXHTJKEJNK-HTAPYJJXSA-N 2 2 320.480 3.891 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511647448 340333824 /nfs/dbraw/zinc/33/38/24/340333824.db2.gz KDBVGXHTJKEJNK-HTAPYJJXSA-N 2 2 320.480 3.891 20 0 DHADLP COc1ccsc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512194954 340351938 /nfs/dbraw/zinc/35/19/38/340351938.db2.gz MKQJQIOPQOCDND-CVEARBPZSA-N 2 2 322.518 3.843 20 0 DHADLP COc1ccsc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000512194954 340351939 /nfs/dbraw/zinc/35/19/39/340351939.db2.gz MKQJQIOPQOCDND-CVEARBPZSA-N 2 2 322.518 3.843 20 0 DHADLP COc1ccsc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000512194954 340351940 /nfs/dbraw/zinc/35/19/40/340351940.db2.gz MKQJQIOPQOCDND-CVEARBPZSA-N 2 2 322.518 3.843 20 0 DHADLP COc1ccsc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000512194954 340351941 /nfs/dbraw/zinc/35/19/41/340351941.db2.gz MKQJQIOPQOCDND-CVEARBPZSA-N 2 2 322.518 3.843 20 0 DHADLP Clc1ccc2[nH+]ccc(N3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000303597572 340638530 /nfs/dbraw/zinc/63/85/30/340638530.db2.gz UKBRFGGXDWZQGP-UHFFFAOYSA-N 2 2 315.848 3.953 20 0 DHADLP COc1cccc([C@H](C[NH2+]C[C@H]2CC=CCC2)[NH+]2CCCC2)c1 ZINC000237315359 340669893 /nfs/dbraw/zinc/66/98/93/340669893.db2.gz RPDVBJJYAZUPOL-PXNSSMCTSA-N 2 2 314.473 3.778 20 0 DHADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222116 340783142 /nfs/dbraw/zinc/78/31/42/340783142.db2.gz QHMBVMKFAVCRHW-QAPCUYQASA-N 2 2 302.462 3.657 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H](C)C2CCOCC2)[NH+]2CCCC2)cc1 ZINC000125045609 340802032 /nfs/dbraw/zinc/80/20/32/340802032.db2.gz ITDOGIROAKAQJI-XLIONFOSSA-N 2 2 316.489 3.537 20 0 DHADLP c1c(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)[nH+]c2n1CCCC2 ZINC000130471848 341022591 /nfs/dbraw/zinc/02/25/91/341022591.db2.gz OLQWILUNNQEFQH-ZWKOTPCHSA-N 2 2 309.457 3.688 20 0 DHADLP c1c(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)[nH+]c2n1CCCC2 ZINC000130471597 341022644 /nfs/dbraw/zinc/02/26/44/341022644.db2.gz OLQWILUNNQEFQH-QZTJIDSGSA-N 2 2 309.457 3.688 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000130489809 341022999 /nfs/dbraw/zinc/02/29/99/341022999.db2.gz MSXFIGXHFBMAEP-OXFYSEKESA-N 2 2 322.452 3.805 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000130489809 341023000 /nfs/dbraw/zinc/02/30/00/341023000.db2.gz MSXFIGXHFBMAEP-OXFYSEKESA-N 2 2 322.452 3.805 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C(C)(C)c1ccccc1 ZINC000130557958 341027772 /nfs/dbraw/zinc/02/77/72/341027772.db2.gz UMFLXGWPXLUNKY-MRXNPFEDSA-N 2 2 307.441 3.833 20 0 DHADLP FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000543414709 341043213 /nfs/dbraw/zinc/04/32/13/341043213.db2.gz LKNFIJLEPVRZCD-DLBZAZTESA-N 2 2 308.416 3.819 20 0 DHADLP FC1(F)CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000543414709 341043214 /nfs/dbraw/zinc/04/32/14/341043214.db2.gz LKNFIJLEPVRZCD-DLBZAZTESA-N 2 2 308.416 3.819 20 0 DHADLP C[C@H](CC[NH2+][C@@H]1CCc2c1c(F)ccc2F)[NH+]1CCCCC1 ZINC000544374667 341078941 /nfs/dbraw/zinc/07/89/41/341078941.db2.gz ZZOKYOBXLXLWJL-CXAGYDPISA-N 2 2 308.416 3.806 20 0 DHADLP CCC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCCCC1 ZINC000545161371 341110830 /nfs/dbraw/zinc/11/08/30/341110830.db2.gz SVEBMZOHTSKSES-UHFFFAOYSA-N 2 2 315.505 3.996 20 0 DHADLP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000131758780 341111063 /nfs/dbraw/zinc/11/10/63/341111063.db2.gz IOORHPJZZKHSBZ-BBRMVZONSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131758780 341111064 /nfs/dbraw/zinc/11/10/64/341111064.db2.gz IOORHPJZZKHSBZ-BBRMVZONSA-N 2 2 323.362 3.985 20 0 DHADLP FC(F)Oc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835847 341185300 /nfs/dbraw/zinc/18/53/00/341185300.db2.gz FVUCKXITUQUHRN-HNNXBMFYSA-N 2 2 324.415 3.596 20 0 DHADLP FC(F)Oc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835847 341185301 /nfs/dbraw/zinc/18/53/01/341185301.db2.gz FVUCKXITUQUHRN-HNNXBMFYSA-N 2 2 324.415 3.596 20 0 DHADLP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000236631370 341190501 /nfs/dbraw/zinc/19/05/01/341190501.db2.gz KNNQOKDOQFXRCA-SXLOBPIMSA-N 2 2 318.505 3.599 20 0 DHADLP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000236631370 341190502 /nfs/dbraw/zinc/19/05/02/341190502.db2.gz KNNQOKDOQFXRCA-SXLOBPIMSA-N 2 2 318.505 3.599 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000076001314 341195388 /nfs/dbraw/zinc/19/53/88/341195388.db2.gz SJOBQIDIKDWJEX-HNNXBMFYSA-N 2 2 314.395 3.869 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000076001314 341195389 /nfs/dbraw/zinc/19/53/89/341195389.db2.gz SJOBQIDIKDWJEX-HNNXBMFYSA-N 2 2 314.395 3.869 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)CC1CCOCC1)c1ccccc1 ZINC000134053397 341205417 /nfs/dbraw/zinc/20/54/17/341205417.db2.gz CSYRIBHPUPYCGA-PXNSSMCTSA-N 2 2 318.505 3.864 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+]Cc2cccn2C)CCCC1)c1ccccc1 ZINC000237528332 341215259 /nfs/dbraw/zinc/21/52/59/341215259.db2.gz HIPGQFUZMANZCY-KRWDZBQOSA-N 2 2 311.473 3.778 20 0 DHADLP Cc1ccc(C(=O)CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000548161166 341250449 /nfs/dbraw/zinc/25/04/49/341250449.db2.gz YPGGEMRHGJVMNE-UHFFFAOYSA-N 2 2 323.440 3.539 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245445161 341294570 /nfs/dbraw/zinc/29/45/70/341294570.db2.gz KCXBHBUNYDUYTM-GJZGRUSLSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245445161 341294571 /nfs/dbraw/zinc/29/45/71/341294571.db2.gz KCXBHBUNYDUYTM-GJZGRUSLSA-N 2 2 308.416 3.834 20 0 DHADLP CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000549988243 341308261 /nfs/dbraw/zinc/30/82/61/341308261.db2.gz PWMAVMQIBVSFCC-KRWDZBQOSA-N 2 2 305.853 3.784 20 0 DHADLP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CCC1 ZINC000551176665 341333153 /nfs/dbraw/zinc/33/31/53/341333153.db2.gz ZFVAUFGDWTWERE-KRWDZBQOSA-N 2 2 306.881 3.735 20 0 DHADLP CC(F)(F)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000551262602 341335805 /nfs/dbraw/zinc/33/58/05/341335805.db2.gz DLJCCONYQQCSTE-YESZJQIVSA-N 2 2 308.416 3.532 20 0 DHADLP CC(F)(F)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000551262602 341335806 /nfs/dbraw/zinc/33/58/06/341335806.db2.gz DLJCCONYQQCSTE-YESZJQIVSA-N 2 2 308.416 3.532 20 0 DHADLP COc1ccccc1[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246484902 341350508 /nfs/dbraw/zinc/35/05/08/341350508.db2.gz RLLWBMULFFIMNN-YRISNDGFSA-N 2 2 324.468 3.857 20 0 DHADLP COc1ccccc1[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246484902 341350509 /nfs/dbraw/zinc/35/05/09/341350509.db2.gz RLLWBMULFFIMNN-YRISNDGFSA-N 2 2 324.468 3.857 20 0 DHADLP CCC1CC([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C1 ZINC000551789227 341351635 /nfs/dbraw/zinc/35/16/35/341351635.db2.gz MKXYBSZRJZYAHU-LRYGQEGESA-N 2 2 316.489 3.665 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2CCF)[NH+](C)C)cc1 ZINC000552050712 341365100 /nfs/dbraw/zinc/36/51/00/341365100.db2.gz PSMLMBCVKROZRW-NEWSRXKRSA-N 2 2 306.469 3.970 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248393951 341376342 /nfs/dbraw/zinc/37/63/42/341376342.db2.gz XOFFBLSMTNSTOD-GPMSIDNRSA-N 2 2 315.436 3.926 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248393951 341376343 /nfs/dbraw/zinc/37/63/43/341376343.db2.gz XOFFBLSMTNSTOD-GPMSIDNRSA-N 2 2 315.436 3.926 20 0 DHADLP CCCCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248730754 341385389 /nfs/dbraw/zinc/38/53/89/341385389.db2.gz OKNQPTUNXYGBGT-WMZOPIPTSA-N 2 2 304.478 3.780 20 0 DHADLP CCCCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248730754 341385390 /nfs/dbraw/zinc/38/53/90/341385390.db2.gz OKNQPTUNXYGBGT-WMZOPIPTSA-N 2 2 304.478 3.780 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248730754 341385391 /nfs/dbraw/zinc/38/53/91/341385391.db2.gz OKNQPTUNXYGBGT-WMZOPIPTSA-N 2 2 304.478 3.780 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248730754 341385392 /nfs/dbraw/zinc/38/53/92/341385392.db2.gz OKNQPTUNXYGBGT-WMZOPIPTSA-N 2 2 304.478 3.780 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000564391359 341391098 /nfs/dbraw/zinc/39/10/98/341391098.db2.gz ZDKDXAINDFHAIE-HUUCEWRRSA-N 2 2 319.493 3.715 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000564391359 341391099 /nfs/dbraw/zinc/39/10/99/341391099.db2.gz ZDKDXAINDFHAIE-HUUCEWRRSA-N 2 2 319.493 3.715 20 0 DHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cccnc1 ZINC000249055597 341392753 /nfs/dbraw/zinc/39/27/53/341392753.db2.gz XNFDIYJBXIGJSI-YLJYHZDGSA-N 2 2 311.473 3.889 20 0 DHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cccnc1 ZINC000249055597 341392754 /nfs/dbraw/zinc/39/27/54/341392754.db2.gz XNFDIYJBXIGJSI-YLJYHZDGSA-N 2 2 311.473 3.889 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000249410000 341397287 /nfs/dbraw/zinc/39/72/87/341397287.db2.gz VDPFSTWWOBKMKT-MLGOLLRUSA-N 2 2 307.800 3.759 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000249410000 341397288 /nfs/dbraw/zinc/39/72/88/341397288.db2.gz VDPFSTWWOBKMKT-MLGOLLRUSA-N 2 2 307.800 3.759 20 0 DHADLP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCO[C@H](C)C2)[NH+](C)C)cc1 ZINC000554404322 341453648 /nfs/dbraw/zinc/45/36/48/341453648.db2.gz VXEFWLDHWSFAKT-AHRSYUTCSA-N 2 2 318.505 3.645 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(Br)c1 ZINC000554855865 341466731 /nfs/dbraw/zinc/46/67/31/341466731.db2.gz YWFQNSIVSXFSDL-UHFFFAOYSA-N 2 2 319.246 3.875 20 0 DHADLP C[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000153412422 341539086 /nfs/dbraw/zinc/53/90/86/341539086.db2.gz QXRSGYJXWPQXMU-GVDBMIGSSA-N 2 2 322.518 3.536 20 0 DHADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000268826013 341604400 /nfs/dbraw/zinc/60/44/00/341604400.db2.gz QXNSTOBYYCNXKF-QMMMGPOBSA-N 2 2 304.246 3.911 20 0 DHADLP CC(C)CCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155749801 341612497 /nfs/dbraw/zinc/61/24/97/341612497.db2.gz FCNYIBXJLODVEH-INIZCTEOSA-N 2 2 301.434 3.659 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCC2(C)C)CCOCC1)c1ccccc1 ZINC000568076658 341650167 /nfs/dbraw/zinc/65/01/67/341650167.db2.gz PKBAVOBPPOJVAI-SJLPKXTDSA-N 2 2 316.489 3.665 20 0 DHADLP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000576810346 341864081 /nfs/dbraw/zinc/86/40/81/341864081.db2.gz DHFSNTNAYQCQCU-INIZCTEOSA-N 2 2 319.836 3.820 20 0 DHADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCNc2ccccc21)c1ccccc1 ZINC000192605352 341879440 /nfs/dbraw/zinc/87/94/40/341879440.db2.gz KNABZRHSVXCLTG-WOJBJXKFSA-N 2 2 309.457 3.826 20 0 DHADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)n1C ZINC000580582342 341881446 /nfs/dbraw/zinc/88/14/46/341881446.db2.gz NPVCRMSFKYNYIZ-UHFFFAOYSA-N 2 2 321.424 3.597 20 0 DHADLP c1ccc(NCCCC[NH2+][C@@H]2CCCNc3ccccc32)[nH+]c1 ZINC000192812430 341889198 /nfs/dbraw/zinc/88/91/98/341889198.db2.gz BPAAVNXLWGEMDK-GOSISDBHSA-N 2 2 310.445 3.810 20 0 DHADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000270607415 518982511 /nfs/dbraw/zinc/98/25/11/518982511.db2.gz BXQWXCFPLBTJNH-SJLPKXTDSA-N 2 2 313.445 3.556 20 0 DHADLP CC(C)C[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000363820550 519251134 /nfs/dbraw/zinc/25/11/34/519251134.db2.gz KKWCPIALRLHTTA-GOSISDBHSA-N 2 2 321.428 3.539 20 0 DHADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)[NH+](C)C ZINC000337329529 519354077 /nfs/dbraw/zinc/35/40/77/519354077.db2.gz FXDBDBVEXYGPIM-QXAKKESOSA-N 2 2 303.494 3.674 20 0 DHADLP CC(C)[NH+](CCCN[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000127486859 519644030 /nfs/dbraw/zinc/64/40/30/519644030.db2.gz GLAHRIKGSPFNIW-SFHVURJKSA-N 2 2 314.477 3.598 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000180010340 519799145 /nfs/dbraw/zinc/79/91/45/519799145.db2.gz ZHCMHFKWZMJYNA-GOSISDBHSA-N 2 2 306.413 3.754 20 0 DHADLP CC(C)n1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000189901227 520002206 /nfs/dbraw/zinc/00/22/06/520002206.db2.gz FZUHBYWVKZWHHA-OAHLLOKOSA-N 2 2 309.417 3.501 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000338367237 520625085 /nfs/dbraw/zinc/62/50/85/520625085.db2.gz YUOYPRNPVGSLOO-SNVBAGLBSA-N 2 2 309.401 3.544 20 0 DHADLP CC[N@H+](CCC(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266582155 520994619 /nfs/dbraw/zinc/99/46/19/520994619.db2.gz RRZDMOMJUDYUFF-UHFFFAOYSA-N 2 2 315.383 3.572 20 0 DHADLP CC[N@@H+](CCC(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266582155 520994634 /nfs/dbraw/zinc/99/46/34/520994634.db2.gz RRZDMOMJUDYUFF-UHFFFAOYSA-N 2 2 315.383 3.572 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337343724 521596640 /nfs/dbraw/zinc/59/66/40/521596640.db2.gz SORLKZKRXYWJCI-NZSAHSFTSA-N 2 2 301.478 3.572 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337343724 521596647 /nfs/dbraw/zinc/59/66/47/521596647.db2.gz SORLKZKRXYWJCI-NZSAHSFTSA-N 2 2 301.478 3.572 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337343726 521597410 /nfs/dbraw/zinc/59/74/10/521597410.db2.gz SORLKZKRXYWJCI-YTQUADARSA-N 2 2 301.478 3.572 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337343726 521597418 /nfs/dbraw/zinc/59/74/18/521597418.db2.gz SORLKZKRXYWJCI-YTQUADARSA-N 2 2 301.478 3.572 20 0 DHADLP CCOC1CC(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000189253456 521645759 /nfs/dbraw/zinc/64/57/59/521645759.db2.gz ZZRZTNQGNXHLKO-LYGPFTKASA-N 2 2 313.445 3.728 20 0 DHADLP COCC[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000364152267 521874556 /nfs/dbraw/zinc/87/45/56/521874556.db2.gz XWEZMCSFLLJQHT-KRWDZBQOSA-N 2 2 313.445 3.511 20 0 DHADLP COCC[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000364152267 521874564 /nfs/dbraw/zinc/87/45/64/521874564.db2.gz XWEZMCSFLLJQHT-KRWDZBQOSA-N 2 2 313.445 3.511 20 0 DHADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000163700211 522880320 /nfs/dbraw/zinc/88/03/20/522880320.db2.gz KGEITPCVTXWHIS-OAQYLSRUSA-N 2 2 324.468 3.760 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)s1 ZINC000151545826 524026100 /nfs/dbraw/zinc/02/61/00/524026100.db2.gz SNERQIJGXLRLKH-CYBMUJFWSA-N 2 2 312.442 3.742 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000337988454 524229929 /nfs/dbraw/zinc/22/99/29/524229929.db2.gz JBRROOBPNOAUHM-KGLIPLIRSA-N 2 2 319.399 3.650 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337342294 524363491 /nfs/dbraw/zinc/36/34/91/524363491.db2.gz RCXHIHOQKNGNHT-RMJJICAUSA-N 2 2 315.505 3.960 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337342294 524363501 /nfs/dbraw/zinc/36/35/01/524363501.db2.gz RCXHIHOQKNGNHT-RMJJICAUSA-N 2 2 315.505 3.960 20 0 DHADLP CSC1(C[N@@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)CCC1 ZINC000365666373 525308529 /nfs/dbraw/zinc/30/85/29/525308529.db2.gz VGCOUCZEKFYASG-HNNXBMFYSA-N 2 2 307.507 3.929 20 0 DHADLP CSC1(C[N@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)CCC1 ZINC000365666373 525308533 /nfs/dbraw/zinc/30/85/33/525308533.db2.gz VGCOUCZEKFYASG-HNNXBMFYSA-N 2 2 307.507 3.929 20 0 DHADLP COc1ccc([C@H](CNc2cccc(C)[nH+]2)[NH+]2CCCC2)cc1 ZINC000156917983 525360670 /nfs/dbraw/zinc/36/06/70/525360670.db2.gz PKLAEWLRYOQYON-SFHVURJKSA-N 2 2 311.429 3.648 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000126850732 525385898 /nfs/dbraw/zinc/38/58/98/525385898.db2.gz XXJFZYQQABPSMG-GJZGRUSLSA-N 2 2 304.459 3.904 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000126850732 525385906 /nfs/dbraw/zinc/38/59/06/525385906.db2.gz XXJFZYQQABPSMG-GJZGRUSLSA-N 2 2 304.459 3.904 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccncc1F ZINC000338008055 525401835 /nfs/dbraw/zinc/40/18/35/525401835.db2.gz OBVYJGCMKSJDMV-OAHLLOKOSA-N 2 2 313.420 3.536 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1coc(-c3ccccc3)n1)CCC2 ZINC000364131782 525935425 /nfs/dbraw/zinc/93/54/25/525935425.db2.gz JDTRNKXBBFXEFE-MRXNPFEDSA-N 2 2 322.412 3.514 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156384976 526049756 /nfs/dbraw/zinc/04/97/56/526049756.db2.gz ZCKGJLGLUJOGEL-DYVFJYSZSA-N 2 2 302.805 3.949 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156384976 526049762 /nfs/dbraw/zinc/04/97/62/526049762.db2.gz ZCKGJLGLUJOGEL-DYVFJYSZSA-N 2 2 302.805 3.949 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000266990327 526185564 /nfs/dbraw/zinc/18/55/64/526185564.db2.gz ANYAJHSATIXVQN-CYBMUJFWSA-N 2 2 302.422 3.567 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)[C@H](C)C2 ZINC000180086761 526190496 /nfs/dbraw/zinc/19/04/96/526190496.db2.gz FBHUWWVOLXSBIY-BEFAXECRSA-N 2 2 318.424 3.599 20 0 DHADLP FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000338005748 526284114 /nfs/dbraw/zinc/28/41/14/526284114.db2.gz YORMDKQUYWRUJB-RBUKOAKNSA-N 2 2 315.436 3.939 20 0 DHADLP FCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2F)CC1 ZINC000367599809 526287393 /nfs/dbraw/zinc/28/73/93/526287393.db2.gz XWMQSDAOZLLZNP-KXBFYZLASA-N 2 2 322.443 3.908 20 0 DHADLP Fc1cc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)ccc1-n1cc[nH+]c1 ZINC000339512158 526299146 /nfs/dbraw/zinc/29/91/46/526299146.db2.gz KTDCIVMVJKPGAE-ZWKOTPCHSA-N 2 2 321.399 3.905 20 0 DHADLP c1c(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)[nH+]c2ccccn12 ZINC000130417314 526398424 /nfs/dbraw/zinc/39/84/24/526398424.db2.gz OROWECLOCZLUID-MSOLQXFVSA-N 2 2 305.425 3.803 20 0 DHADLP c1cn(CC[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)c[nH+]1 ZINC000129885742 526533420 /nfs/dbraw/zinc/53/34/20/526533420.db2.gz VHCUKHCVYOYAPK-UHFFFAOYSA-N 2 2 318.424 3.610 20 0 DHADLP c1cn(CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)c[nH+]1 ZINC000129885742 526533425 /nfs/dbraw/zinc/53/34/25/526533425.db2.gz VHCUKHCVYOYAPK-UHFFFAOYSA-N 2 2 318.424 3.610 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000337348401 526548629 /nfs/dbraw/zinc/54/86/29/526548629.db2.gz YYVSZYOXKGDFJN-NEWSRXKRSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CC[N@H+](C4CCCC4)C3)C2)c1 ZINC000337348401 526548632 /nfs/dbraw/zinc/54/86/32/526548632.db2.gz YYVSZYOXKGDFJN-NEWSRXKRSA-N 2 2 313.489 3.714 20 0 DHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000183065459 526680034 /nfs/dbraw/zinc/68/00/34/526680034.db2.gz ZIKAKFUXMWNKBF-AWEZNQCLSA-N 2 2 306.479 3.855 20 0 DHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183065459 526680039 /nfs/dbraw/zinc/68/00/39/526680039.db2.gz ZIKAKFUXMWNKBF-AWEZNQCLSA-N 2 2 306.479 3.855 20 0 DHADLP Cc1sccc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000339187178 526912463 /nfs/dbraw/zinc/91/24/63/526912463.db2.gz WWJKGQRDVUHFOB-UHFFFAOYSA-N 2 2 318.461 3.950 20 0 DHADLP Cc1sccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000339202637 526915813 /nfs/dbraw/zinc/91/58/13/526915813.db2.gz JHOJVQHRGWQAGA-UHFFFAOYSA-N 2 2 301.390 3.671 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2)cn1 ZINC000126487666 527373607 /nfs/dbraw/zinc/37/36/07/527373607.db2.gz RBDQKSBKDLWAIA-HNNXBMFYSA-N 2 2 306.413 3.735 20 0 DHADLP Cn1cc[nH+]c1-c1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000365739424 527422050 /nfs/dbraw/zinc/42/20/50/527422050.db2.gz VJPTYISQQBFASI-KRWDZBQOSA-N 2 2 307.397 3.847 20 0 DHADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156329299 527686791 /nfs/dbraw/zinc/68/67/91/527686791.db2.gz CLGJXJWKWNTJFR-OAHLLOKOSA-N 2 2 322.330 3.754 20 0 DHADLP FC(F)(F)c1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156329299 527686795 /nfs/dbraw/zinc/68/67/95/527686795.db2.gz CLGJXJWKWNTJFR-OAHLLOKOSA-N 2 2 322.330 3.754 20 0 DHADLP FC(F)(F)c1cc[nH+]c(NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000267429043 527688338 /nfs/dbraw/zinc/68/83/38/527688338.db2.gz WEVSMONJKFZPPB-UHFFFAOYSA-N 2 2 313.367 3.919 20 0 DHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cc(C)on2)c1 ZINC000284018963 535608661 /nfs/dbraw/zinc/60/86/61/535608661.db2.gz IRZSDPSZZWMXJN-OAHLLOKOSA-N 2 2 301.434 3.676 20 0 DHADLP CCSCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000273640416 535684300 /nfs/dbraw/zinc/68/43/00/535684300.db2.gz BJVWVSJSUFAFQO-UHFFFAOYSA-N 2 2 312.910 3.647 20 0 DHADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000279836727 536558574 /nfs/dbraw/zinc/55/85/74/536558574.db2.gz ZNCFGJMJGBXEII-FOIQADDNSA-N 2 2 323.440 3.861 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ccccc2C1 ZINC000361690220 1032058079 /nfs/dbraw/zinc/05/80/79/1032058079.db2.gz VTFCYCZYHGEDPU-UHFFFAOYSA-N 2 2 303.409 3.739 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ccccc2C1 ZINC000361690220 1032058096 /nfs/dbraw/zinc/05/80/96/1032058096.db2.gz VTFCYCZYHGEDPU-UHFFFAOYSA-N 2 2 303.409 3.739 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)Cc1ccccn1)c1ccccc1 ZINC000925060273 1013252904 /nfs/dbraw/zinc/25/29/04/1013252904.db2.gz OCAYAQKWTRWNEZ-DLBZAZTESA-N 2 2 311.473 3.732 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCC2(F)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000558424802 1013264763 /nfs/dbraw/zinc/26/47/63/1013264763.db2.gz DLNCNYTXQPOINV-FUHWJXTLSA-N 2 2 304.453 3.769 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCC2(F)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000558424802 1013264773 /nfs/dbraw/zinc/26/47/73/1013264773.db2.gz DLNCNYTXQPOINV-FUHWJXTLSA-N 2 2 304.453 3.769 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2ccnc(Cl)c2s1 ZINC000894777126 1013487096 /nfs/dbraw/zinc/48/70/96/1013487096.db2.gz NLTAJSFEWBOHIH-UHFFFAOYSA-N 2 2 320.849 3.668 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2ccnc(Cl)c2s1 ZINC000894777126 1013487097 /nfs/dbraw/zinc/48/70/97/1013487097.db2.gz NLTAJSFEWBOHIH-UHFFFAOYSA-N 2 2 320.849 3.668 20 0 DHADLP CC(C)c1cc(N2CCC(C)([NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000894847676 1013534436 /nfs/dbraw/zinc/53/44/36/1013534436.db2.gz DPCKFICQMLZKIL-UHFFFAOYSA-N 2 2 304.482 3.644 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc2ccccc21 ZINC000655690860 1013644252 /nfs/dbraw/zinc/64/42/52/1013644252.db2.gz PSLLCVCYGIGXEO-APWZRJJASA-N 2 2 324.468 3.744 20 0 DHADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000655832432 1013748324 /nfs/dbraw/zinc/74/83/24/1013748324.db2.gz XAZAWNXEJNUDJG-XLIONFOSSA-N 2 2 323.484 3.655 20 0 DHADLP C[C@H](Cc1ccccn1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000655832432 1013748331 /nfs/dbraw/zinc/74/83/31/1013748331.db2.gz XAZAWNXEJNUDJG-XLIONFOSSA-N 2 2 323.484 3.655 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCC(F)(F)CC1 ZINC000655848542 1013774295 /nfs/dbraw/zinc/77/42/95/1013774295.db2.gz HMFNVRFDNSPFSK-NUEKZKHPSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCC(F)(F)CC1 ZINC000655848542 1013774303 /nfs/dbraw/zinc/77/43/03/1013774303.db2.gz HMFNVRFDNSPFSK-NUEKZKHPSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1OC(F)F ZINC000655848343 1013774599 /nfs/dbraw/zinc/77/45/99/1013774599.db2.gz HUEGTAFZNJAAPR-BPUTZDHNSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1OC(F)F ZINC000655848343 1013774604 /nfs/dbraw/zinc/77/46/04/1013774604.db2.gz HUEGTAFZNJAAPR-BPUTZDHNSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnc2ccsc2c1 ZINC000655849833 1013777817 /nfs/dbraw/zinc/77/78/17/1013777817.db2.gz ZCHDVBGXSOTJGC-JLJPHGGASA-N 2 2 315.486 3.964 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cnc2ccsc2c1 ZINC000655849833 1013777820 /nfs/dbraw/zinc/77/78/20/1013777820.db2.gz ZCHDVBGXSOTJGC-JLJPHGGASA-N 2 2 315.486 3.964 20 0 DHADLP c1csc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167994707 1013779021 /nfs/dbraw/zinc/77/90/21/1013779021.db2.gz LREFCJYUSDKONW-FCLJQHQZSA-N 2 2 317.502 3.685 20 0 DHADLP c1csc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167994707 1013779028 /nfs/dbraw/zinc/77/90/28/1013779028.db2.gz LREFCJYUSDKONW-FCLJQHQZSA-N 2 2 317.502 3.685 20 0 DHADLP c1csc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)n1 ZINC001167994707 1013779035 /nfs/dbraw/zinc/77/90/35/1013779035.db2.gz LREFCJYUSDKONW-FCLJQHQZSA-N 2 2 317.502 3.685 20 0 DHADLP c1csc([C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)n1 ZINC001167994707 1013779044 /nfs/dbraw/zinc/77/90/44/1013779044.db2.gz LREFCJYUSDKONW-FCLJQHQZSA-N 2 2 317.502 3.685 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655856560 1013787389 /nfs/dbraw/zinc/78/73/89/1013787389.db2.gz NQGVNSIORZPDEF-QDIHITRGSA-N 2 2 318.427 3.962 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655856560 1013787393 /nfs/dbraw/zinc/78/73/93/1013787393.db2.gz NQGVNSIORZPDEF-QDIHITRGSA-N 2 2 318.427 3.962 20 0 DHADLP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683694980 1013866865 /nfs/dbraw/zinc/86/68/65/1013866865.db2.gz WBJXYPNOVDFIDW-DNVCBOLYSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683694980 1013866868 /nfs/dbraw/zinc/86/68/68/1013866868.db2.gz WBJXYPNOVDFIDW-DNVCBOLYSA-N 2 2 304.453 3.753 20 0 DHADLP Cc1nocc1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000639226590 1013932311 /nfs/dbraw/zinc/93/23/11/1013932311.db2.gz GHTMPZSVOGHCGK-UHFFFAOYSA-N 2 2 307.482 3.752 20 0 DHADLP CCOCC[N@H+](Cc1[nH]c(C)[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000931258450 1032081404 /nfs/dbraw/zinc/08/14/04/1032081404.db2.gz MAEKJSABKYJVDI-LJQANCHMSA-N 2 2 313.445 3.553 20 0 DHADLP CCOCC[N@@H+](Cc1[nH]c(C)[nH+]c1C)[C@@H]1CCc2ccccc21 ZINC000931258450 1032081417 /nfs/dbraw/zinc/08/14/17/1032081417.db2.gz MAEKJSABKYJVDI-LJQANCHMSA-N 2 2 313.445 3.553 20 0 DHADLP CCOC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000189351325 1014178481 /nfs/dbraw/zinc/17/84/81/1014178481.db2.gz QGXALPMCRKEMCU-YJBOKZPZSA-N 2 2 301.434 3.584 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684024151 1014288010 /nfs/dbraw/zinc/28/80/10/1014288010.db2.gz NQMUQZQCNZYDPA-UHFFFAOYSA-N 2 2 321.424 3.915 20 0 DHADLP Cc1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC000895111780 1014443139 /nfs/dbraw/zinc/44/31/39/1014443139.db2.gz JMVQORDPVILBKS-WKILWMFISA-N 2 2 301.459 3.728 20 0 DHADLP CSC(C)(C)CCN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895114210 1014446735 /nfs/dbraw/zinc/44/67/35/1014446735.db2.gz ZLISAVLHQJIFHF-SHTZXODSSA-N 2 2 307.507 3.690 20 0 DHADLP CS[C@@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895131190 1014506240 /nfs/dbraw/zinc/50/62/40/1014506240.db2.gz GTZWAODVWZZNBR-LUKYLMHMSA-N 2 2 319.518 3.832 20 0 DHADLP CC(C)[C@@H](CSc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427845397 1014536742 /nfs/dbraw/zinc/53/67/42/1014536742.db2.gz PNLDBBNGDTUEOU-DOTOQJQBSA-N 2 2 315.486 3.604 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2cc(Cl)ccc2o1 ZINC000427875528 1014542974 /nfs/dbraw/zinc/54/29/74/1014542974.db2.gz KDGYGCVILRCORR-SMDDNHRTSA-N 2 2 315.804 3.948 20 0 DHADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000665250075 1014553310 /nfs/dbraw/zinc/55/33/10/1014553310.db2.gz HJDZOHXPVNUXIA-NZSAHSFTSA-N 2 2 324.493 3.959 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000665268163 1014605018 /nfs/dbraw/zinc/60/50/18/1014605018.db2.gz JBYNSXUDPFHQFJ-VLIAUNLRSA-N 2 2 318.424 3.793 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000581188945 1014608701 /nfs/dbraw/zinc/60/87/01/1014608701.db2.gz NJIFLZIWSNHFQI-UHFFFAOYSA-N 2 2 309.866 3.745 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000581188945 1014608708 /nfs/dbraw/zinc/60/87/08/1014608708.db2.gz NJIFLZIWSNHFQI-UHFFFAOYSA-N 2 2 309.866 3.745 20 0 DHADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(-c2ccc(F)cc2)s1 ZINC000665277257 1014650528 /nfs/dbraw/zinc/65/05/28/1014650528.db2.gz XTPAUDRBMMDLIK-ZVLZOBCMSA-N 2 2 316.445 3.957 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)o1 ZINC000067250189 1014666258 /nfs/dbraw/zinc/66/62/58/1014666258.db2.gz MUGWDFPQRQKVHL-YOEHRIQHSA-N 2 2 307.397 3.879 20 0 DHADLP c1c2ccccc2oc1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000581364007 1014737955 /nfs/dbraw/zinc/73/79/55/1014737955.db2.gz GOBGTHXYVQYYDK-QRWLVFNGSA-N 2 2 321.424 3.506 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc3c2OCC3)C[C@H]1C ZINC000341142966 1014928470 /nfs/dbraw/zinc/92/84/70/1014928470.db2.gz UOVPJMVUVBIBQL-CXAGYDPISA-N 2 2 322.880 3.580 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc3c2OCC3)C[C@H]1C ZINC000341142966 1014928475 /nfs/dbraw/zinc/92/84/75/1014928475.db2.gz UOVPJMVUVBIBQL-CXAGYDPISA-N 2 2 322.880 3.580 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc3c2OCC3)C[C@H]1C ZINC000341142966 1014928488 /nfs/dbraw/zinc/92/84/88/1014928488.db2.gz UOVPJMVUVBIBQL-CXAGYDPISA-N 2 2 322.880 3.580 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc3c2OCC3)C[C@H]1C ZINC000341142966 1014928502 /nfs/dbraw/zinc/92/85/02/1014928502.db2.gz UOVPJMVUVBIBQL-CXAGYDPISA-N 2 2 322.880 3.580 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000581554670 1014992141 /nfs/dbraw/zinc/99/21/41/1014992141.db2.gz TUUVKUIBVJUDEL-UKRRQHHQSA-N 2 2 315.848 3.951 20 0 DHADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000090185599 1015017467 /nfs/dbraw/zinc/01/74/67/1015017467.db2.gz NNQXRJBEWDBOAS-HXUWFJFHSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000090185599 1015017478 /nfs/dbraw/zinc/01/74/78/1015017478.db2.gz NNQXRJBEWDBOAS-HXUWFJFHSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccc(N(C)c2ccc(C[N@@H+]3CC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204771538 1015041481 /nfs/dbraw/zinc/04/14/81/1015041481.db2.gz PXROECSTIYHXKC-FQEVSTJZSA-N 2 2 309.457 3.686 20 0 DHADLP Cc1ccc(N(C)c2ccc(C[N@H+]3CC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204771538 1015041492 /nfs/dbraw/zinc/04/14/92/1015041492.db2.gz PXROECSTIYHXKC-FQEVSTJZSA-N 2 2 309.457 3.686 20 0 DHADLP Nc1[nH]c(C[N@H+]2CC=C(c3cc(Cl)cc(Cl)c3)CC2)c[nH+]1 ZINC001205002092 1015229524 /nfs/dbraw/zinc/22/95/24/1015229524.db2.gz ZMEHIOLRMVHRBM-UHFFFAOYSA-N 2 2 323.227 3.588 20 0 DHADLP Nc1[nH]c(C[N@@H+]2CC=C(c3cc(Cl)cc(Cl)c3)CC2)c[nH+]1 ZINC001205002092 1015229529 /nfs/dbraw/zinc/22/95/29/1015229529.db2.gz ZMEHIOLRMVHRBM-UHFFFAOYSA-N 2 2 323.227 3.588 20 0 DHADLP CSC(C)(C)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895706862 1015267597 /nfs/dbraw/zinc/26/75/97/1015267597.db2.gz OBVHPUZBUZAWOA-INIZCTEOSA-N 2 2 303.475 3.746 20 0 DHADLP CCCC[N@H+](C)CC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000341459563 1015400012 /nfs/dbraw/zinc/40/00/12/1015400012.db2.gz OJPNCLQUIGERPE-UHFFFAOYSA-N 2 2 316.493 3.611 20 0 DHADLP CCCC[N@@H+](C)CC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000341459563 1015400018 /nfs/dbraw/zinc/40/00/18/1015400018.db2.gz OJPNCLQUIGERPE-UHFFFAOYSA-N 2 2 316.493 3.611 20 0 DHADLP CCCSC[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000896036013 1015418262 /nfs/dbraw/zinc/41/82/62/1015418262.db2.gz ZGBDAWIUBKRQRA-DOTOQJQBSA-N 2 2 303.475 3.746 20 0 DHADLP Cc1cc(NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)nc(C2CC2)[nH+]1 ZINC000341501588 1015426806 /nfs/dbraw/zinc/42/68/06/1015426806.db2.gz ORGOCWWLNQVIES-HNNXBMFYSA-N 2 2 324.472 4.204 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@@H+](C)C(C)C)nc(C2CC2)[nH+]1 ZINC000341507701 1015428291 /nfs/dbraw/zinc/42/82/91/1015428291.db2.gz VRWVQHLPGXYUAN-UHFFFAOYSA-N 2 2 324.472 4.115 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@H+](C)C(C)C)nc(C2CC2)[nH+]1 ZINC000341507701 1015428293 /nfs/dbraw/zinc/42/82/93/1015428293.db2.gz VRWVQHLPGXYUAN-UHFFFAOYSA-N 2 2 324.472 4.115 20 0 DHADLP c1ccc([C@H]2C[C@H]2C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000896195752 1015497323 /nfs/dbraw/zinc/49/73/23/1015497323.db2.gz QAZKACQAJBYAIE-PKOBYXMFSA-N 2 2 307.441 3.762 20 0 DHADLP COc1ccccc1/C=C\C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896198869 1015497410 /nfs/dbraw/zinc/49/74/10/1015497410.db2.gz WIMLQLMHKOVJSB-VURMDHGXSA-N 2 2 323.440 3.680 20 0 DHADLP C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001168039553 1015498061 /nfs/dbraw/zinc/49/80/61/1015498061.db2.gz GLBCKCOFBCMNOO-UEDFBRSZSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001168039553 1015498069 /nfs/dbraw/zinc/49/80/69/1015498069.db2.gz GLBCKCOFBCMNOO-UEDFBRSZSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001168039553 1015498075 /nfs/dbraw/zinc/49/80/75/1015498075.db2.gz GLBCKCOFBCMNOO-UEDFBRSZSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001168039553 1015498081 /nfs/dbraw/zinc/49/80/81/1015498081.db2.gz GLBCKCOFBCMNOO-UEDFBRSZSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1CC([N@H+](C)Cc2ccccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040209 1015529026 /nfs/dbraw/zinc/52/90/26/1015529026.db2.gz LCEPXXHGUNOSTQ-QZTJIDSGSA-N 2 2 323.484 3.955 20 0 DHADLP C[C@@H]1CC([N@@H+](C)Cc2ccccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040209 1015529039 /nfs/dbraw/zinc/52/90/39/1015529039.db2.gz LCEPXXHGUNOSTQ-QZTJIDSGSA-N 2 2 323.484 3.955 20 0 DHADLP CC[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC001173263330 1033636475 /nfs/dbraw/zinc/63/64/75/1033636475.db2.gz JYTSZRDZPHOLHD-UGFHNGPFSA-N 2 2 311.267 3.617 20 0 DHADLP C[C@H]1CC([N@@H+]2Cc3cccnc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041997 1015620423 /nfs/dbraw/zinc/62/04/23/1015620423.db2.gz XLUSRNUJVNSWAD-IRXDYDNUSA-N 2 2 321.468 3.839 20 0 DHADLP C[C@H]1CC([N@H+]2Cc3cccnc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041997 1015620427 /nfs/dbraw/zinc/62/04/27/1015620427.db2.gz XLUSRNUJVNSWAD-IRXDYDNUSA-N 2 2 321.468 3.839 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)c1cccnc1 ZINC000896720978 1015714978 /nfs/dbraw/zinc/71/49/78/1015714978.db2.gz KOZIBCGJWOZHPY-IKGGRYGDSA-N 2 2 321.534 3.584 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000443856160 1015773926 /nfs/dbraw/zinc/77/39/26/1015773926.db2.gz RKLUXFRJUWTSCG-XJKSGUPXSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000443856160 1015773931 /nfs/dbraw/zinc/77/39/31/1015773931.db2.gz RKLUXFRJUWTSCG-XJKSGUPXSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000443856160 1015773937 /nfs/dbraw/zinc/77/39/37/1015773937.db2.gz RKLUXFRJUWTSCG-XJKSGUPXSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000443856160 1015773944 /nfs/dbraw/zinc/77/39/44/1015773944.db2.gz RKLUXFRJUWTSCG-XJKSGUPXSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093644935 1015780785 /nfs/dbraw/zinc/78/07/85/1015780785.db2.gz LKCGVZIHMVYTEG-UKRRQHHQSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093644935 1015780787 /nfs/dbraw/zinc/78/07/87/1015780787.db2.gz LKCGVZIHMVYTEG-UKRRQHHQSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644935 1015780790 /nfs/dbraw/zinc/78/07/90/1015780790.db2.gz LKCGVZIHMVYTEG-UKRRQHHQSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644935 1015780795 /nfs/dbraw/zinc/78/07/95/1015780795.db2.gz LKCGVZIHMVYTEG-UKRRQHHQSA-N 2 2 312.404 3.511 20 0 DHADLP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCC2 ZINC000281067625 1015825239 /nfs/dbraw/zinc/82/52/39/1015825239.db2.gz SPAVWTWNUUMGKY-LJQANCHMSA-N 2 2 319.408 3.745 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C2 ZINC000151016976 1016011256 /nfs/dbraw/zinc/01/12/56/1016011256.db2.gz BUHGVZGYWASTSF-WFASDCNBSA-N 2 2 323.362 3.876 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000151012833 1016011772 /nfs/dbraw/zinc/01/17/72/1016011772.db2.gz YPBWYUBHTFSZHE-NVXWUHKLSA-N 2 2 323.440 3.542 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(Cl)sc1Cl ZINC000151128147 1016021010 /nfs/dbraw/zinc/02/10/10/1016021010.db2.gz PEHYIBMRORBIJS-SECBINFHSA-N 2 2 304.246 3.992 20 0 DHADLP CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151205642 1016023574 /nfs/dbraw/zinc/02/35/74/1016023574.db2.gz GYEQJNHBIYFQTM-HNNXBMFYSA-N 2 2 322.412 3.517 20 0 DHADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151352932 1016037347 /nfs/dbraw/zinc/03/73/47/1016037347.db2.gz DSYQZQPOXCRBNP-INIZCTEOSA-N 2 2 321.424 3.791 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000277321623 1016196694 /nfs/dbraw/zinc/19/66/94/1016196694.db2.gz CCVRPXLEKJCXNY-LBPRGKRZSA-N 2 2 318.433 3.652 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000277321623 1016196701 /nfs/dbraw/zinc/19/67/01/1016196701.db2.gz CCVRPXLEKJCXNY-LBPRGKRZSA-N 2 2 318.433 3.652 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657305046 1016258737 /nfs/dbraw/zinc/25/87/37/1016258737.db2.gz UKGWSLWTFVRUQP-UHFFFAOYSA-N 2 2 320.452 3.577 20 0 DHADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152102323 1016343378 /nfs/dbraw/zinc/34/33/78/1016343378.db2.gz ZWQLSVUEGQYPEH-IIBYNOLFSA-N 2 2 317.436 3.955 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000152246242 1016429016 /nfs/dbraw/zinc/42/90/16/1016429016.db2.gz JLRVTHKXIKLMHK-SFHVURJKSA-N 2 2 307.372 3.789 20 0 DHADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000346641304 1016492744 /nfs/dbraw/zinc/49/27/44/1016492744.db2.gz LREKRGQLXCTXET-UWVGGRQHSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000346641304 1016492752 /nfs/dbraw/zinc/49/27/52/1016492752.db2.gz LREKRGQLXCTXET-UWVGGRQHSA-N 2 2 306.759 3.528 20 0 DHADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000281516817 1016549901 /nfs/dbraw/zinc/54/99/01/1016549901.db2.gz HMTXHRNLGOBPTN-ROUUACIJSA-N 2 2 324.472 3.903 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(C2CCCCC2)cs1 ZINC000277562822 1016635403 /nfs/dbraw/zinc/63/54/03/1016635403.db2.gz ANMDRDXIPLPTKN-UHFFFAOYSA-N 2 2 318.490 3.909 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(C2CCCCC2)cs1 ZINC000277562822 1016635408 /nfs/dbraw/zinc/63/54/08/1016635408.db2.gz ANMDRDXIPLPTKN-UHFFFAOYSA-N 2 2 318.490 3.909 20 0 DHADLP CC(C)(C[NH3+])c1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000629741917 1016688029 /nfs/dbraw/zinc/68/80/29/1016688029.db2.gz HPTGFZYBTXOLAV-UHFFFAOYSA-N 2 2 305.425 3.835 20 0 DHADLP C[C@@H]1CC([N@@H+]2CCC[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053094 1016915813 /nfs/dbraw/zinc/91/58/13/1016915813.db2.gz MSVBCHWZPHQNJB-JFIYKMOQSA-N 2 2 304.453 3.862 20 0 DHADLP C[C@@H]1CC([N@H+]2CCC[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053094 1016915823 /nfs/dbraw/zinc/91/58/23/1016915823.db2.gz MSVBCHWZPHQNJB-JFIYKMOQSA-N 2 2 304.453 3.862 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)s1 ZINC000152754069 1016986769 /nfs/dbraw/zinc/98/67/69/1016986769.db2.gz VXARPBMXVGRHOK-LLVKDONJSA-N 2 2 309.866 3.828 20 0 DHADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC)cc1 ZINC000152770857 1017000227 /nfs/dbraw/zinc/00/02/27/1017000227.db2.gz BQELNSBCRMAXGO-SFHVURJKSA-N 2 2 313.445 3.511 20 0 DHADLP CC[N@@H+](Cc1ccncc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000294852596 1032179962 /nfs/dbraw/zinc/17/99/62/1032179962.db2.gz OYXNFFKSBYXCOG-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP CC[N@H+](Cc1ccncc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000294852596 1032179971 /nfs/dbraw/zinc/17/99/71/1032179971.db2.gz OYXNFFKSBYXCOG-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000322732607 1032229881 /nfs/dbraw/zinc/22/98/81/1032229881.db2.gz VWNNROGUMXLWHQ-ROUUACIJSA-N 2 2 313.445 3.671 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccn2CCC(C)C)C[C@@H]1C ZINC000537617078 1032291534 /nfs/dbraw/zinc/29/15/34/1032291534.db2.gz XSIVQWKHCXQWRG-ZWKOTPCHSA-N 2 2 305.510 3.839 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccn2CCC(C)C)C[C@@H]1C ZINC000537617078 1032291541 /nfs/dbraw/zinc/29/15/41/1032291541.db2.gz XSIVQWKHCXQWRG-ZWKOTPCHSA-N 2 2 305.510 3.839 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccn2CCC(C)C)C[C@@H]1C ZINC000537617078 1032291550 /nfs/dbraw/zinc/29/15/50/1032291550.db2.gz XSIVQWKHCXQWRG-ZWKOTPCHSA-N 2 2 305.510 3.839 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccn2CCC(C)C)C[C@@H]1C ZINC000537617078 1032291552 /nfs/dbraw/zinc/29/15/52/1032291552.db2.gz XSIVQWKHCXQWRG-ZWKOTPCHSA-N 2 2 305.510 3.839 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccccn1 ZINC000152364457 1032334331 /nfs/dbraw/zinc/33/43/31/1032334331.db2.gz VXYJHQZFMBGECL-SOLBZPMBSA-N 2 2 301.478 3.775 20 0 DHADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000090398869 1032396244 /nfs/dbraw/zinc/39/62/44/1032396244.db2.gz SWRYGQIWSCURKM-AWEZNQCLSA-N 2 2 315.486 3.767 20 0 DHADLP CCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000090399699 1032397662 /nfs/dbraw/zinc/39/76/62/1032397662.db2.gz DPYHBHGFAVIJHP-HKUYNNGSSA-N 2 2 315.505 3.852 20 0 DHADLP CCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000090399699 1032397668 /nfs/dbraw/zinc/39/76/68/1032397668.db2.gz DPYHBHGFAVIJHP-HKUYNNGSSA-N 2 2 315.505 3.852 20 0 DHADLP C[N@@H+](Cc1cnc(-c2ccsc2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000092253642 1032486097 /nfs/dbraw/zinc/48/60/97/1032486097.db2.gz CNKIDFGWUWYLQJ-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP C[N@H+](Cc1cnc(-c2ccsc2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000092253642 1032486102 /nfs/dbraw/zinc/48/61/02/1032486102.db2.gz CNKIDFGWUWYLQJ-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP C[NH+](Cc1cnc(-c2ccsc2)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253642 1032486105 /nfs/dbraw/zinc/48/61/05/1032486105.db2.gz CNKIDFGWUWYLQJ-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP C[NH+](Cc1cnc(-c2ccsc2)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253642 1032486109 /nfs/dbraw/zinc/48/61/09/1032486109.db2.gz CNKIDFGWUWYLQJ-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP C[NH+](C)C(C)(C)CNc1cc[nH+]c2c(Br)cccc12 ZINC000302578499 1017308591 /nfs/dbraw/zinc/30/85/91/1017308591.db2.gz SKXDDGAJKWXUKJ-UHFFFAOYSA-N 2 2 322.250 3.749 20 0 DHADLP CC[N@@H+](Cc1ncccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093177572 1032525307 /nfs/dbraw/zinc/52/53/07/1032525307.db2.gz BQIMKOHMGIVUEW-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP CC[N@H+](Cc1ncccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093177572 1032525324 /nfs/dbraw/zinc/52/53/24/1032525324.db2.gz BQIMKOHMGIVUEW-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000093564032 1032545600 /nfs/dbraw/zinc/54/56/00/1032545600.db2.gz QZUDAIPZXLPXDX-OAHLLOKOSA-N 2 2 321.534 3.891 20 0 DHADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000093564032 1032545608 /nfs/dbraw/zinc/54/56/08/1032545608.db2.gz QZUDAIPZXLPXDX-OAHLLOKOSA-N 2 2 321.534 3.891 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3cccs3)s2)CC[N@@H+]1C ZINC000093644565 1032550169 /nfs/dbraw/zinc/55/01/69/1032550169.db2.gz VFCQGMIAYGAFDB-OLZOCXBDSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3cccs3)s2)CC[N@H+]1C ZINC000093644565 1032550171 /nfs/dbraw/zinc/55/01/71/1032550171.db2.gz VFCQGMIAYGAFDB-OLZOCXBDSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)CC[NH+]1C ZINC000093644565 1032550173 /nfs/dbraw/zinc/55/01/73/1032550173.db2.gz VFCQGMIAYGAFDB-OLZOCXBDSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)CC[NH+]1C ZINC000093644565 1032550175 /nfs/dbraw/zinc/55/01/75/1032550175.db2.gz VFCQGMIAYGAFDB-OLZOCXBDSA-N 2 2 321.515 3.786 20 0 DHADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)s2)o1 ZINC000093644943 1032549437 /nfs/dbraw/zinc/54/94/37/1032549437.db2.gz YQSWAODOMYWFSD-TZMCWYRMSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)s2)o1 ZINC000093644943 1032549445 /nfs/dbraw/zinc/54/94/45/1032549445.db2.gz YQSWAODOMYWFSD-TZMCWYRMSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)s2)o1 ZINC000093644943 1032549451 /nfs/dbraw/zinc/54/94/51/1032549451.db2.gz YQSWAODOMYWFSD-TZMCWYRMSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)s2)o1 ZINC000093644943 1032549454 /nfs/dbraw/zinc/54/94/54/1032549454.db2.gz YQSWAODOMYWFSD-TZMCWYRMSA-N 2 2 319.474 3.626 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093693024 1032551807 /nfs/dbraw/zinc/55/18/07/1032551807.db2.gz SAAXXPPXDPYUOF-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093693024 1032551820 /nfs/dbraw/zinc/55/18/20/1032551820.db2.gz SAAXXPPXDPYUOF-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP Fc1cccc2c1CC[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171396195 1032581296 /nfs/dbraw/zinc/58/12/96/1032581296.db2.gz LDDRNERHPGJPSZ-KRWDZBQOSA-N 2 2 321.399 3.659 20 0 DHADLP Clc1ccc(Cl)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168352660 1032579072 /nfs/dbraw/zinc/57/90/72/1032579072.db2.gz AAEKLQLBZRGFRJ-UHFFFAOYSA-N 2 2 313.272 3.957 20 0 DHADLP COCCC1(C[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)CCCCC1 ZINC000436276865 1012711174 /nfs/dbraw/zinc/71/11/74/1012711174.db2.gz VRBAWPISJVOJBB-QZTJIDSGSA-N 2 2 310.526 3.826 20 0 DHADLP COCCC1(C[NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)CCCCC1 ZINC000436276865 1012711187 /nfs/dbraw/zinc/71/11/87/1012711187.db2.gz VRBAWPISJVOJBB-QZTJIDSGSA-N 2 2 310.526 3.826 20 0 DHADLP C[C@@H](C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001208894866 1012767390 /nfs/dbraw/zinc/76/73/90/1012767390.db2.gz WTMZVELOGHCJBT-AWEZNQCLSA-N 2 2 314.395 3.781 20 0 DHADLP C[C@@H](C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001208894866 1012767406 /nfs/dbraw/zinc/76/74/06/1012767406.db2.gz WTMZVELOGHCJBT-AWEZNQCLSA-N 2 2 314.395 3.781 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037213880 1012866696 /nfs/dbraw/zinc/86/66/96/1012866696.db2.gz WOQAXCIWOOXHJR-DZGCQCFKSA-N 2 2 310.894 3.951 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037213880 1012866707 /nfs/dbraw/zinc/86/67/07/1012866707.db2.gz WOQAXCIWOOXHJR-DZGCQCFKSA-N 2 2 310.894 3.951 20 0 DHADLP Fc1cccc2c1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000339780899 1012875811 /nfs/dbraw/zinc/87/58/11/1012875811.db2.gz KGIBGRHCGHWPRZ-UHFFFAOYSA-N 2 2 307.372 3.570 20 0 DHADLP Fc1cccc2c1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000339780899 1012875825 /nfs/dbraw/zinc/87/58/25/1012875825.db2.gz KGIBGRHCGHWPRZ-UHFFFAOYSA-N 2 2 307.372 3.570 20 0 DHADLP Cc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Cl)cc1Cl ZINC001206809523 1012990356 /nfs/dbraw/zinc/99/03/56/1012990356.db2.gz LTFYEZAQFZUUEZ-RYUDHWBXSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Cl)cc1Cl ZINC001206809523 1012990378 /nfs/dbraw/zinc/99/03/78/1012990378.db2.gz LTFYEZAQFZUUEZ-RYUDHWBXSA-N 2 2 301.261 3.861 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037320333 1013006161 /nfs/dbraw/zinc/00/61/61/1013006161.db2.gz QOXVMZKMRVFUHP-BXUZGUMPSA-N 2 2 307.850 3.752 20 0 DHADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000623656920 1017155281 /nfs/dbraw/zinc/15/52/81/1017155281.db2.gz FQKMSUSMPHNRLU-OAHLLOKOSA-N 2 2 315.486 3.632 20 0 DHADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000623656920 1017155284 /nfs/dbraw/zinc/15/52/84/1017155284.db2.gz FQKMSUSMPHNRLU-OAHLLOKOSA-N 2 2 315.486 3.632 20 0 DHADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000623655932 1017156598 /nfs/dbraw/zinc/15/65/98/1017156598.db2.gz IYVQVNFSHQINOO-OAHLLOKOSA-N 2 2 315.486 3.632 20 0 DHADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000623655932 1017156604 /nfs/dbraw/zinc/15/66/04/1017156604.db2.gz IYVQVNFSHQINOO-OAHLLOKOSA-N 2 2 315.486 3.632 20 0 DHADLP C[C@H]1CC([N@@H+]2Cc3ccncc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061680 1017160102 /nfs/dbraw/zinc/16/01/02/1017160102.db2.gz IZVILSRANKMWCH-IRXDYDNUSA-N 2 2 321.468 3.839 20 0 DHADLP C[C@H]1CC([N@H+]2Cc3ccncc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061680 1017160106 /nfs/dbraw/zinc/16/01/06/1017160106.db2.gz IZVILSRANKMWCH-IRXDYDNUSA-N 2 2 321.468 3.839 20 0 DHADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC000657534114 1017214245 /nfs/dbraw/zinc/21/42/45/1017214245.db2.gz DZRZGRYRGRLQET-IEBWSBKVSA-N 2 2 323.484 3.828 20 0 DHADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC000657534114 1017214257 /nfs/dbraw/zinc/21/42/57/1017214257.db2.gz DZRZGRYRGRLQET-IEBWSBKVSA-N 2 2 323.484 3.828 20 0 DHADLP CC(C)COc1ccc(C(C)(C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000179671299 1017282916 /nfs/dbraw/zinc/28/29/16/1017282916.db2.gz NGUVNQKVBAVOSN-UHFFFAOYSA-N 2 2 315.461 3.833 20 0 DHADLP CSc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001142031691 1017360347 /nfs/dbraw/zinc/36/03/47/1017360347.db2.gz NLCWIPUJKPFZNT-CYBMUJFWSA-N 2 2 320.483 3.827 20 0 DHADLP CSc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001142031691 1017360351 /nfs/dbraw/zinc/36/03/51/1017360351.db2.gz NLCWIPUJKPFZNT-CYBMUJFWSA-N 2 2 320.483 3.827 20 0 DHADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCCCO1 ZINC000623990646 1017621944 /nfs/dbraw/zinc/62/19/44/1017621944.db2.gz IKVOZYISSVBPMP-DYVFJYSZSA-N 2 2 319.836 3.573 20 0 DHADLP CCC[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ncccc1Cl ZINC000925169725 1017895928 /nfs/dbraw/zinc/89/59/28/1017895928.db2.gz KIGXYRFBVHMWQP-HIFRSBDPSA-N 2 2 318.852 3.940 20 0 DHADLP FC1(F)CC12CCC([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000657718115 1017960927 /nfs/dbraw/zinc/96/09/27/1017960927.db2.gz ZTIOQGGOPFFJJH-UHFFFAOYSA-N 2 2 323.412 3.991 20 0 DHADLP Clc1ccccc1C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183166246 1018000669 /nfs/dbraw/zinc/00/06/69/1018000669.db2.gz IXIMQTIUJSOQJZ-INIZCTEOSA-N 2 2 303.837 3.634 20 0 DHADLP Clc1ccccc1C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183166246 1018000683 /nfs/dbraw/zinc/00/06/83/1018000683.db2.gz IXIMQTIUJSOQJZ-INIZCTEOSA-N 2 2 303.837 3.634 20 0 DHADLP COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095308 1018068794 /nfs/dbraw/zinc/06/87/94/1018068794.db2.gz GKHNMIBNNXFJKI-RHSMWYFYSA-N 2 2 302.462 3.535 20 0 DHADLP COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095308 1018068805 /nfs/dbraw/zinc/06/88/05/1018068805.db2.gz GKHNMIBNNXFJKI-RHSMWYFYSA-N 2 2 302.462 3.535 20 0 DHADLP CCc1ccc(-c2ccc(C[NH2+][C@H](C)Cn3cc[nH+]c3)o2)cc1 ZINC000524773195 1018090626 /nfs/dbraw/zinc/09/06/26/1018090626.db2.gz CBHWYPYGZAKAQJ-OAHLLOKOSA-N 2 2 309.413 3.884 20 0 DHADLP C[C@H]([NH2+]Cc1nc2ccccc2o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720080 1018128609 /nfs/dbraw/zinc/12/86/09/1018128609.db2.gz JVQPHCCMBNCXEM-GJZGRUSLSA-N 2 2 313.445 3.570 20 0 DHADLP C[C@H]([NH2+]Cc1nc2ccccc2o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720080 1018128615 /nfs/dbraw/zinc/12/86/15/1018128615.db2.gz JVQPHCCMBNCXEM-GJZGRUSLSA-N 2 2 313.445 3.570 20 0 DHADLP Clc1ccsc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000194435947 1018192894 /nfs/dbraw/zinc/19/28/94/1018192894.db2.gz AOUAMKQLPJRRON-DOMZBBRYSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccsc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000194435947 1018192900 /nfs/dbraw/zinc/19/29/00/1018192900.db2.gz AOUAMKQLPJRRON-DOMZBBRYSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccsc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000194435947 1018192909 /nfs/dbraw/zinc/19/29/09/1018192909.db2.gz AOUAMKQLPJRRON-DOMZBBRYSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccsc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000194435947 1018192928 /nfs/dbraw/zinc/19/29/28/1018192928.db2.gz AOUAMKQLPJRRON-DOMZBBRYSA-N 2 2 310.894 3.850 20 0 DHADLP C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155140559 1018251422 /nfs/dbraw/zinc/25/14/22/1018251422.db2.gz KSDTVNICLXXQMA-KBPBESRZSA-N 2 2 310.376 3.818 20 0 DHADLP COc1ccc([C@H](C)C[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000447899551 1018500017 /nfs/dbraw/zinc/50/00/17/1018500017.db2.gz UIYHZDIDAYGKRD-QAPCUYQASA-N 2 2 304.478 3.509 20 0 DHADLP COc1ccc([C@H](C)C[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000447899551 1018500024 /nfs/dbraw/zinc/50/00/24/1018500024.db2.gz UIYHZDIDAYGKRD-QAPCUYQASA-N 2 2 304.478 3.509 20 0 DHADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000675495606 1018507838 /nfs/dbraw/zinc/50/78/38/1018507838.db2.gz KHNWMANSJPVRMD-APWZRJJASA-N 2 2 301.478 3.634 20 0 DHADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](c2cccnc2)C2CCCCC2)C1 ZINC000675495606 1018507853 /nfs/dbraw/zinc/50/78/53/1018507853.db2.gz KHNWMANSJPVRMD-APWZRJJASA-N 2 2 301.478 3.634 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc(C)c1F ZINC000152832590 1018535358 /nfs/dbraw/zinc/53/53/58/1018535358.db2.gz OHSCWGDUMKHDEU-OAHLLOKOSA-N 2 2 315.436 3.869 20 0 DHADLP CCC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833741 1018605862 /nfs/dbraw/zinc/60/58/62/1018605862.db2.gz OKVWKMJEZQUWII-IEBWSBKVSA-N 2 2 302.462 3.610 20 0 DHADLP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833741 1018605867 /nfs/dbraw/zinc/60/58/67/1018605867.db2.gz OKVWKMJEZQUWII-IEBWSBKVSA-N 2 2 302.462 3.610 20 0 DHADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261643340 1018619848 /nfs/dbraw/zinc/61/98/48/1018619848.db2.gz XEEHBWIUYSHTHL-HOTGVXAUSA-N 2 2 323.278 3.586 20 0 DHADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261643340 1018619852 /nfs/dbraw/zinc/61/98/52/1018619852.db2.gz XEEHBWIUYSHTHL-HOTGVXAUSA-N 2 2 323.278 3.586 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000156255254 1018742006 /nfs/dbraw/zinc/74/20/06/1018742006.db2.gz MFFJCORDGAHLMX-LJQANCHMSA-N 2 2 307.441 3.636 20 0 DHADLP c1coc(-c2ncc(C[NH2+]C3CC[NH+](C4CCC4)CC3)s2)c1 ZINC000278494156 1018742866 /nfs/dbraw/zinc/74/28/66/1018742866.db2.gz MQIHLMGBUWWLNE-UHFFFAOYSA-N 2 2 317.458 3.510 20 0 DHADLP Cc1[nH+]ccn1CCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000338716234 1018794392 /nfs/dbraw/zinc/79/43/92/1018794392.db2.gz OLRWRKWDXQUYOF-UHFFFAOYSA-N 2 2 300.793 3.895 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCC(C(F)(F)F)CC1 ZINC000354653560 1018841565 /nfs/dbraw/zinc/84/15/65/1018841565.db2.gz SDENBPQMPJCPRO-BLYZHGLHSA-N 2 2 315.383 3.545 20 0 DHADLP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000765525201 1018862143 /nfs/dbraw/zinc/86/21/43/1018862143.db2.gz KCWSUKDDWLNIJP-KUHUBIRLSA-N 2 2 322.412 3.527 20 0 DHADLP COc1ccc2c(c1)[nH+]ccc2N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000765525196 1018866399 /nfs/dbraw/zinc/86/63/99/1018866399.db2.gz KCWSUKDDWLNIJP-AUUYWEPGSA-N 2 2 322.412 3.527 20 0 DHADLP CC[C@H]1C[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@@H]1[NH3+] ZINC000316781190 1018871248 /nfs/dbraw/zinc/87/12/48/1018871248.db2.gz GGGOUAWFAXPCRP-WFASDCNBSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@@H]1[NH3+] ZINC000316781190 1018871263 /nfs/dbraw/zinc/87/12/63/1018871263.db2.gz GGGOUAWFAXPCRP-WFASDCNBSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@H]1[NH3+] ZINC000316889718 1018873174 /nfs/dbraw/zinc/87/31/74/1018873174.db2.gz BBTGYSRLGFHYLL-MLGOLLRUSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@H]1[NH3+] ZINC000316889718 1018873199 /nfs/dbraw/zinc/87/31/99/1018873199.db2.gz BBTGYSRLGFHYLL-MLGOLLRUSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@@H]1[NH3+] ZINC000316889733 1018873398 /nfs/dbraw/zinc/87/33/98/1018873398.db2.gz BBTGYSRLGFHYLL-WBMJQRKESA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC[C@@H]1[NH3+] ZINC000316889733 1018873420 /nfs/dbraw/zinc/87/34/20/1018873420.db2.gz BBTGYSRLGFHYLL-WBMJQRKESA-N 2 2 319.836 3.554 20 0 DHADLP FCC1(CF)CC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000657819601 1018873999 /nfs/dbraw/zinc/87/39/99/1018873999.db2.gz XTFNTXXNSHHBHZ-QGZVFWFLSA-N 2 2 308.416 3.501 20 0 DHADLP Cc1cccc2c1CC[C@H]([N@H+](C(C)C)C1CC[NH+](C)CC1)C2 ZINC001171578591 1032792440 /nfs/dbraw/zinc/79/24/40/1032792440.db2.gz KXGYQNUUPOBCMK-IBGZPJMESA-N 2 2 300.490 3.657 20 0 DHADLP Cc1cccc2c1CC[C@H]([N@@H+](C(C)C)C1CC[NH+](C)CC1)C2 ZINC001171578591 1032792456 /nfs/dbraw/zinc/79/24/56/1032792456.db2.gz KXGYQNUUPOBCMK-IBGZPJMESA-N 2 2 300.490 3.657 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000263851235 1032796614 /nfs/dbraw/zinc/79/66/14/1032796614.db2.gz OQWNFZBAJMJQIC-INIZCTEOSA-N 2 2 320.440 3.789 20 0 DHADLP C[C@@H]1C[N@H+](CCCc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000566855105 1018935456 /nfs/dbraw/zinc/93/54/56/1018935456.db2.gz ACIGPLWIKPZIML-IAQYHMDHSA-N 2 2 301.261 3.595 20 0 DHADLP C[C@@H]1C[N@@H+](CCCc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000566855105 1018935471 /nfs/dbraw/zinc/93/54/71/1018935471.db2.gz ACIGPLWIKPZIML-IAQYHMDHSA-N 2 2 301.261 3.595 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccn1 ZINC000159156512 1019008901 /nfs/dbraw/zinc/00/89/01/1019008901.db2.gz GCDWKDHMUHDYKK-IAGOWNOFSA-N 2 2 309.457 3.958 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000628183274 1019064911 /nfs/dbraw/zinc/06/49/11/1019064911.db2.gz VUESPBWOXMEMTF-AAEUAGOBSA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000628183274 1019064921 /nfs/dbraw/zinc/06/49/21/1019064921.db2.gz VUESPBWOXMEMTF-AAEUAGOBSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000628183274 1019064931 /nfs/dbraw/zinc/06/49/31/1019064931.db2.gz VUESPBWOXMEMTF-AAEUAGOBSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000628183274 1019064945 /nfs/dbraw/zinc/06/49/45/1019064945.db2.gz VUESPBWOXMEMTF-AAEUAGOBSA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+](Cc1nc(C)c(C(C)(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000923337190 1019138060 /nfs/dbraw/zinc/13/80/60/1019138060.db2.gz XUXCARPEJZYGQG-CQSZACIVSA-N 2 2 309.523 3.713 20 0 DHADLP CC[N@@H+](Cc1nc(C)c(C(C)(C)C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000923337190 1019138065 /nfs/dbraw/zinc/13/80/65/1019138065.db2.gz XUXCARPEJZYGQG-CQSZACIVSA-N 2 2 309.523 3.713 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984999 1019140418 /nfs/dbraw/zinc/14/04/18/1019140418.db2.gz DCCUCIKAILTJKD-OCCSQVGLSA-N 2 2 321.371 3.952 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984999 1019140428 /nfs/dbraw/zinc/14/04/28/1019140428.db2.gz DCCUCIKAILTJKD-OCCSQVGLSA-N 2 2 321.371 3.952 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000666996950 1032810872 /nfs/dbraw/zinc/81/08/72/1032810872.db2.gz NMWNVPCSXUSFRN-AWEZNQCLSA-N 2 2 323.278 3.522 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081096266 1019160519 /nfs/dbraw/zinc/16/05/19/1019160519.db2.gz NBJIBANTWIQWJG-BEFAXECRSA-N 2 2 313.445 3.504 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081096266 1019160525 /nfs/dbraw/zinc/16/05/25/1019160525.db2.gz NBJIBANTWIQWJG-BEFAXECRSA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081096266 1019160556 /nfs/dbraw/zinc/16/05/56/1019160556.db2.gz NBJIBANTWIQWJG-BEFAXECRSA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081096266 1019160564 /nfs/dbraw/zinc/16/05/64/1019160564.db2.gz NBJIBANTWIQWJG-BEFAXECRSA-N 2 2 313.445 3.504 20 0 DHADLP CC[C@H](C[NH2+][C@@H]1CCCc2cc(OC)ccc21)[NH+]1CCCC1 ZINC000347919617 1019194852 /nfs/dbraw/zinc/19/48/52/1019194852.db2.gz JYAZZDCSJUHDRM-VQIMIIECSA-N 2 2 302.462 3.537 20 0 DHADLP Cc1[nH+]ccn1CCCCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000460944527 1019231032 /nfs/dbraw/zinc/23/10/32/1019231032.db2.gz RXEMYNPVCOMKJB-UHFFFAOYSA-N 2 2 308.429 4.249 20 0 DHADLP c1ccc(C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000090053266 1019379188 /nfs/dbraw/zinc/37/91/88/1019379188.db2.gz QTCXNEYYGOOALX-HXUWFJFHSA-N 2 2 321.468 3.661 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000090452714 1019388929 /nfs/dbraw/zinc/38/89/29/1019388929.db2.gz FYBFVOXGSAEXCT-IBGZPJMESA-N 2 2 314.473 3.815 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccnc1 ZINC000091283977 1019457480 /nfs/dbraw/zinc/45/74/80/1019457480.db2.gz LOVVWGLMSVQQFG-HXUWFJFHSA-N 2 2 320.440 3.813 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)[nH]1 ZINC000092071925 1019500171 /nfs/dbraw/zinc/50/01/71/1019500171.db2.gz AHAVHNWPPPHVQN-CQSZACIVSA-N 2 2 316.474 3.903 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc(C4CCCC4)s3)C2)[nH]1 ZINC000092071925 1019500182 /nfs/dbraw/zinc/50/01/82/1019500182.db2.gz AHAVHNWPPPHVQN-CQSZACIVSA-N 2 2 316.474 3.903 20 0 DHADLP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c2O1 ZINC000092072212 1019501368 /nfs/dbraw/zinc/50/13/68/1019501368.db2.gz DTQCRGMKEHKCBT-INIZCTEOSA-N 2 2 311.429 3.503 20 0 DHADLP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c2O1 ZINC000092072212 1019501376 /nfs/dbraw/zinc/50/13/76/1019501376.db2.gz DTQCRGMKEHKCBT-INIZCTEOSA-N 2 2 311.429 3.503 20 0 DHADLP C[NH+]1C(C)(C)CC([NH+]2CCC(C)([NH+]3CCCC3)CC2)CC1(C)C ZINC001171640296 1032837011 /nfs/dbraw/zinc/83/70/11/1032837011.db2.gz BGZAGAWOKQHNLM-UHFFFAOYSA-N 3 2 321.553 3.588 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccns1 ZINC000858317943 1032843516 /nfs/dbraw/zinc/84/35/16/1032843516.db2.gz IVJWGXAPGRPRPB-YQQAZPJKSA-N 2 2 315.486 3.847 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccns1 ZINC000858317943 1032843534 /nfs/dbraw/zinc/84/35/34/1032843534.db2.gz IVJWGXAPGRPRPB-YQQAZPJKSA-N 2 2 315.486 3.847 20 0 DHADLP CC1CCC([N@H+](Cc2ncc(C[NH+](C)C)s2)C2CC2)CC1 ZINC000347612451 1019787401 /nfs/dbraw/zinc/78/74/01/1019787401.db2.gz NXWRVEGUCCIXHX-UHFFFAOYSA-N 2 2 307.507 3.748 20 0 DHADLP CC1CCC([N@@H+](Cc2ncc(C[NH+](C)C)s2)C2CC2)CC1 ZINC000347612451 1019787419 /nfs/dbraw/zinc/78/74/19/1019787419.db2.gz NXWRVEGUCCIXHX-UHFFFAOYSA-N 2 2 307.507 3.748 20 0 DHADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000685411012 1019795703 /nfs/dbraw/zinc/79/57/03/1019795703.db2.gz YVTBCXOUMXHHKA-NPPUXFBVSA-N 2 2 303.356 3.581 20 0 DHADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000685411012 1019795720 /nfs/dbraw/zinc/79/57/20/1019795720.db2.gz YVTBCXOUMXHHKA-NPPUXFBVSA-N 2 2 303.356 3.581 20 0 DHADLP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347615165 1019796906 /nfs/dbraw/zinc/79/69/06/1019796906.db2.gz QKJWFYRTLBTHAS-QGZVFWFLSA-N 2 2 315.486 3.850 20 0 DHADLP Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347615165 1019796915 /nfs/dbraw/zinc/79/69/15/1019796915.db2.gz QKJWFYRTLBTHAS-QGZVFWFLSA-N 2 2 315.486 3.850 20 0 DHADLP c1cc(CNc2ccc(C3CCC3)c[nH+]2)n(-c2cc[nH+]cc2)n1 ZINC000657476952 1019860411 /nfs/dbraw/zinc/86/04/11/1019860411.db2.gz VHRPDYUTKLYJGE-UHFFFAOYSA-N 2 2 305.385 3.542 20 0 DHADLP Cc1noc(C)c1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000168157079 1019889033 /nfs/dbraw/zinc/88/90/33/1019889033.db2.gz FSGXXUODHCJSBC-CYBMUJFWSA-N 2 2 305.466 3.739 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc2ccncc2s1 ZINC000657901210 1019898825 /nfs/dbraw/zinc/89/88/25/1019898825.db2.gz PFEBURVQBDBOQU-CYBMUJFWSA-N 2 2 312.442 3.844 20 0 DHADLP CCc1cc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359712701 1020024501 /nfs/dbraw/zinc/02/45/01/1020024501.db2.gz CKLLAYZHIWGGFD-KSSFIOAISA-N 2 2 310.445 3.595 20 0 DHADLP CCc1cc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359712701 1020024514 /nfs/dbraw/zinc/02/45/14/1020024514.db2.gz CKLLAYZHIWGGFD-KSSFIOAISA-N 2 2 310.445 3.595 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)c(F)c1 ZINC000101544050 1020049566 /nfs/dbraw/zinc/04/95/66/1020049566.db2.gz RKSFBXVSHZDZBF-UHFFFAOYSA-N 2 2 313.351 3.783 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000658060031 1020109807 /nfs/dbraw/zinc/10/98/07/1020109807.db2.gz CNMUEUALLHGEAS-HOTGVXAUSA-N 2 2 306.413 3.722 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000658089865 1020134673 /nfs/dbraw/zinc/13/46/73/1020134673.db2.gz BKSPGLOZOPFFEL-WDSOQIARSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000658089865 1020134681 /nfs/dbraw/zinc/13/46/81/1020134681.db2.gz BKSPGLOZOPFFEL-WDSOQIARSA-N 2 2 316.489 3.617 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC[NH+]1CCCC1 ZINC000673599555 1020175199 /nfs/dbraw/zinc/17/51/99/1020175199.db2.gz GQBAASLPNJDCDM-KAMYIIQDSA-N 2 2 312.379 3.794 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]C/C=C\c1cccc(F)c1)c1cccnc1 ZINC000922631191 1020178457 /nfs/dbraw/zinc/17/84/57/1020178457.db2.gz UFBWAKKJQVODNF-BQHGXPCASA-N 2 2 313.420 3.517 20 0 DHADLP C/C(=C/c1ccccc1)C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000922631276 1020178475 /nfs/dbraw/zinc/17/84/75/1020178475.db2.gz KQOYWYVNVAEPGY-PZSQYBTKSA-N 2 2 309.457 3.768 20 0 DHADLP C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390633186 1020212739 /nfs/dbraw/zinc/21/27/39/1020212739.db2.gz AVLOTLLAPVURKJ-NIEFLNLKSA-N 2 2 306.453 3.954 20 0 DHADLP C(=C\c1ccccc1)\C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390633186 1020212750 /nfs/dbraw/zinc/21/27/50/1020212750.db2.gz AVLOTLLAPVURKJ-NIEFLNLKSA-N 2 2 306.453 3.954 20 0 DHADLP CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000921645367 1020265140 /nfs/dbraw/zinc/26/51/40/1020265140.db2.gz STZTXQSTFTZZGR-RBSFLKMASA-N 2 2 321.534 3.759 20 0 DHADLP CCc1ccc([C@@H](CC)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658294634 1020286120 /nfs/dbraw/zinc/28/61/20/1020286120.db2.gz OMZURQGIHWZBHL-VQTJNVASSA-N 2 2 316.489 3.543 20 0 DHADLP CCc1ccc([C@@H](CC)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658294636 1020286999 /nfs/dbraw/zinc/28/69/99/1020286999.db2.gz OMZURQGIHWZBHL-WOJBJXKFSA-N 2 2 316.489 3.543 20 0 DHADLP Cc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000658292455 1020287020 /nfs/dbraw/zinc/28/70/20/1020287020.db2.gz YAOSOUDALXCRGF-HKUYNNGSSA-N 2 2 316.489 3.516 20 0 DHADLP CCc1ccc([C@H](CC)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658294628 1020287080 /nfs/dbraw/zinc/28/70/80/1020287080.db2.gz OMZURQGIHWZBHL-PMACEKPBSA-N 2 2 316.489 3.543 20 0 DHADLP CC(C)(C[NH2+][C@H]1CCCNc2ccccc21)[NH+]1CCCCC1 ZINC000192594935 1020374998 /nfs/dbraw/zinc/37/49/98/1020374998.db2.gz UJVZXKZHVJZHKI-SFHVURJKSA-N 2 2 301.478 3.788 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(O)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000625320250 1020474580 /nfs/dbraw/zinc/47/45/80/1020474580.db2.gz XHWGKSXGBZUYGS-ZIAGYGMSSA-N 2 2 322.880 3.788 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(O)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000625320250 1020474586 /nfs/dbraw/zinc/47/45/86/1020474586.db2.gz XHWGKSXGBZUYGS-ZIAGYGMSSA-N 2 2 322.880 3.788 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]CCC2CCCCCC2)CC1 ZINC000348034258 1020487709 /nfs/dbraw/zinc/48/77/09/1020487709.db2.gz CANOCWGEDKLXOM-UHFFFAOYSA-N 2 2 310.526 3.826 20 0 DHADLP Cc1ccncc1CCC[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000348068018 1020491761 /nfs/dbraw/zinc/49/17/61/1020491761.db2.gz DHBRBWVRSFCYMA-NRFANRHFSA-N 2 2 323.484 3.577 20 0 DHADLP Cc1ccncc1CCC[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000348068018 1020491766 /nfs/dbraw/zinc/49/17/66/1020491766.db2.gz DHBRBWVRSFCYMA-NRFANRHFSA-N 2 2 323.484 3.577 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000348081262 1020497665 /nfs/dbraw/zinc/49/76/65/1020497665.db2.gz XSNZDJPSADBOAR-CYBMUJFWSA-N 2 2 307.388 3.943 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000348081262 1020497668 /nfs/dbraw/zinc/49/76/68/1020497668.db2.gz XSNZDJPSADBOAR-CYBMUJFWSA-N 2 2 307.388 3.943 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474482608 1020499491 /nfs/dbraw/zinc/49/94/91/1020499491.db2.gz MWDWNIMJYJZOHN-URGYJCLVSA-N 2 2 306.416 3.818 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474482608 1020499493 /nfs/dbraw/zinc/49/94/93/1020499493.db2.gz MWDWNIMJYJZOHN-URGYJCLVSA-N 2 2 306.416 3.818 20 0 DHADLP CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347860233 1020605018 /nfs/dbraw/zinc/60/50/18/1020605018.db2.gz SCZYAIZXNMMMRZ-INIZCTEOSA-N 2 2 317.502 3.658 20 0 DHADLP CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347860233 1020605021 /nfs/dbraw/zinc/60/50/21/1020605021.db2.gz SCZYAIZXNMMMRZ-INIZCTEOSA-N 2 2 317.502 3.658 20 0 DHADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc2cccnc12 ZINC000647488729 1020652527 /nfs/dbraw/zinc/65/25/27/1020652527.db2.gz PGTBIPRIMHERDM-MOPGFXCFSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc2cccnc12 ZINC000647488729 1020652532 /nfs/dbraw/zinc/65/25/32/1020652532.db2.gz PGTBIPRIMHERDM-MOPGFXCFSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000394495715 1020722979 /nfs/dbraw/zinc/72/29/79/1020722979.db2.gz HCFACHAYKKDSEV-CQSZACIVSA-N 2 2 301.459 3.771 20 0 DHADLP c1csc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000309944087 1020757353 /nfs/dbraw/zinc/75/73/53/1020757353.db2.gz CMAMDMIMTMFSSO-KRWDZBQOSA-N 2 2 315.486 3.535 20 0 DHADLP c1csc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000309944087 1020757361 /nfs/dbraw/zinc/75/73/61/1020757361.db2.gz CMAMDMIMTMFSSO-KRWDZBQOSA-N 2 2 315.486 3.535 20 0 DHADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171962331 1032931490 /nfs/dbraw/zinc/93/14/90/1032931490.db2.gz CJPNHRBBFBMAGG-IBGZPJMESA-N 2 2 323.484 3.923 20 0 DHADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171962331 1032931504 /nfs/dbraw/zinc/93/15/04/1032931504.db2.gz CJPNHRBBFBMAGG-IBGZPJMESA-N 2 2 323.484 3.923 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001171966352 1032937035 /nfs/dbraw/zinc/93/70/35/1032937035.db2.gz UXAGVRAGLAGECP-BBRMVZONSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001171966352 1032937040 /nfs/dbraw/zinc/93/70/40/1032937040.db2.gz UXAGVRAGLAGECP-BBRMVZONSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cccc(-c2ccncc2)c1 ZINC000766271055 1020999678 /nfs/dbraw/zinc/99/96/78/1020999678.db2.gz RBPUZJGOJQGTOT-IRXDYDNUSA-N 2 2 309.457 3.884 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cccc(-c2ccncc2)c1 ZINC000766271055 1020999683 /nfs/dbraw/zinc/99/96/83/1020999683.db2.gz RBPUZJGOJQGTOT-IRXDYDNUSA-N 2 2 309.457 3.884 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000766270341 1021003015 /nfs/dbraw/zinc/00/30/15/1021003015.db2.gz AQZHOEDHGMVJQU-IAGOWNOFSA-N 2 2 309.457 3.884 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000766270341 1021003021 /nfs/dbraw/zinc/00/30/21/1021003021.db2.gz AQZHOEDHGMVJQU-IAGOWNOFSA-N 2 2 309.457 3.884 20 0 DHADLP CC(C)(C)c1ccncc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000414238118 1021022792 /nfs/dbraw/zinc/02/27/92/1021022792.db2.gz XCFSISXJIMLVFR-UHFFFAOYSA-N 2 2 324.472 3.533 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccns1 ZINC000858576151 1032952396 /nfs/dbraw/zinc/95/23/96/1032952396.db2.gz IDTBNJZXZFQEDJ-DZKIICNBSA-N 2 2 307.507 3.837 20 0 DHADLP Cc1n[nH]cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000180559604 1021144154 /nfs/dbraw/zinc/14/41/54/1021144154.db2.gz ZSNRWMGOCWINTP-HOCLYGCPSA-N 2 2 312.461 3.594 20 0 DHADLP C[C@@H](CCSc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000580150432 1021178217 /nfs/dbraw/zinc/17/82/17/1021178217.db2.gz OPCWNRMVQCLALJ-YESZJQIVSA-N 2 2 304.503 3.726 20 0 DHADLP C[C@@H](CCSc1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000580150432 1021178221 /nfs/dbraw/zinc/17/82/21/1021178221.db2.gz OPCWNRMVQCLALJ-YESZJQIVSA-N 2 2 304.503 3.726 20 0 DHADLP C[C@@H](CCSc1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000580150432 1021178226 /nfs/dbraw/zinc/17/82/26/1021178226.db2.gz OPCWNRMVQCLALJ-YESZJQIVSA-N 2 2 304.503 3.726 20 0 DHADLP C[C@@H](CCSc1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000580150432 1021178230 /nfs/dbraw/zinc/17/82/30/1021178230.db2.gz OPCWNRMVQCLALJ-YESZJQIVSA-N 2 2 304.503 3.726 20 0 DHADLP CC1(C)C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171977930 1032967838 /nfs/dbraw/zinc/96/78/38/1032967838.db2.gz VBWZNLLZIXMBAA-GOSISDBHSA-N 2 2 316.489 3.540 20 0 DHADLP CC1(C)C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171977930 1032967848 /nfs/dbraw/zinc/96/78/48/1032967848.db2.gz VBWZNLLZIXMBAA-GOSISDBHSA-N 2 2 316.489 3.540 20 0 DHADLP CC1(C)C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171977930 1032967861 /nfs/dbraw/zinc/96/78/61/1032967861.db2.gz VBWZNLLZIXMBAA-GOSISDBHSA-N 2 2 316.489 3.540 20 0 DHADLP CC1(C)C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171977930 1032967872 /nfs/dbraw/zinc/96/78/72/1032967872.db2.gz VBWZNLLZIXMBAA-GOSISDBHSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@H]1COCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984037 1032968217 /nfs/dbraw/zinc/96/82/17/1032968217.db2.gz BWGVMYWZESCMLT-RBUKOAKNSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@H]1COCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984037 1032968223 /nfs/dbraw/zinc/96/82/23/1032968223.db2.gz BWGVMYWZESCMLT-RBUKOAKNSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@H]1COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984037 1032968238 /nfs/dbraw/zinc/96/82/38/1032968238.db2.gz BWGVMYWZESCMLT-RBUKOAKNSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@H]1COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984037 1032968246 /nfs/dbraw/zinc/96/82/46/1032968246.db2.gz BWGVMYWZESCMLT-RBUKOAKNSA-N 2 2 316.489 3.540 20 0 DHADLP FC(F)C1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090796 1032986406 /nfs/dbraw/zinc/98/64/06/1032986406.db2.gz XDOLEXAUMZZVKC-PIIMJCKOSA-N 2 2 320.427 3.769 20 0 DHADLP FC(F)C1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172090796 1032986410 /nfs/dbraw/zinc/98/64/10/1032986410.db2.gz XDOLEXAUMZZVKC-PIIMJCKOSA-N 2 2 320.427 3.769 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc2c(c1)CCO2 ZINC000850494599 1021562706 /nfs/dbraw/zinc/56/27/06/1021562706.db2.gz QVDFQCYISSLUHH-SJORKVTESA-N 2 2 302.462 3.535 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc2c(c1)CCO2 ZINC000850494599 1021562716 /nfs/dbraw/zinc/56/27/16/1021562716.db2.gz QVDFQCYISSLUHH-SJORKVTESA-N 2 2 302.462 3.535 20 0 DHADLP CCCCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850557455 1021603370 /nfs/dbraw/zinc/60/33/70/1021603370.db2.gz OJBWORJEPOJMPC-RLLQIKCJSA-N 2 2 322.537 3.968 20 0 DHADLP F[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068031 1032996711 /nfs/dbraw/zinc/99/67/11/1032996711.db2.gz GQLXUCPQTBQNFA-INDMIFKZSA-N 2 2 302.437 3.616 20 0 DHADLP F[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068031 1032996723 /nfs/dbraw/zinc/99/67/23/1032996723.db2.gz GQLXUCPQTBQNFA-INDMIFKZSA-N 2 2 302.437 3.616 20 0 DHADLP F[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068031 1032996734 /nfs/dbraw/zinc/99/67/34/1032996734.db2.gz GQLXUCPQTBQNFA-INDMIFKZSA-N 2 2 302.437 3.616 20 0 DHADLP F[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068031 1032996742 /nfs/dbraw/zinc/99/67/42/1032996742.db2.gz GQLXUCPQTBQNFA-INDMIFKZSA-N 2 2 302.437 3.616 20 0 DHADLP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683643 1021650399 /nfs/dbraw/zinc/65/03/99/1021650399.db2.gz BWYLJSZDDKCUNN-PDFOZTTASA-N 2 2 314.473 3.516 20 0 DHADLP COc1ccccc1/C=C/C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683643 1021650402 /nfs/dbraw/zinc/65/04/02/1021650402.db2.gz BWYLJSZDDKCUNN-PDFOZTTASA-N 2 2 314.473 3.516 20 0 DHADLP COc1ccc2[nH+]ccc(N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000892911004 1021677229 /nfs/dbraw/zinc/67/72/29/1021677229.db2.gz HSIXGWUWHWQDJC-LIRRHRJNSA-N 2 2 322.412 3.527 20 0 DHADLP Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163733811 1021695456 /nfs/dbraw/zinc/69/54/56/1021695456.db2.gz HLBVLVDLPSACJP-GOSISDBHSA-N 2 2 324.468 3.678 20 0 DHADLP Cc1ccc(F)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1Cl ZINC001172103442 1033005180 /nfs/dbraw/zinc/00/51/80/1033005180.db2.gz UOEOMWRWMKYEDC-ZSOGYDGISA-N 2 2 310.844 3.892 20 0 DHADLP Cc1ccc(F)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1Cl ZINC001172103442 1033005197 /nfs/dbraw/zinc/00/51/97/1033005197.db2.gz UOEOMWRWMKYEDC-ZSOGYDGISA-N 2 2 310.844 3.892 20 0 DHADLP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1Cl ZINC001172103438 1033005872 /nfs/dbraw/zinc/00/58/72/1033005872.db2.gz UOEOMWRWMKYEDC-BTTYYORXSA-N 2 2 310.844 3.892 20 0 DHADLP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1Cl ZINC001172103438 1033005889 /nfs/dbraw/zinc/00/58/89/1033005889.db2.gz UOEOMWRWMKYEDC-BTTYYORXSA-N 2 2 310.844 3.892 20 0 DHADLP C[C@@H]([C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000152779816 1021823585 /nfs/dbraw/zinc/82/35/85/1021823585.db2.gz APNYUHVEJFVVPC-HOTGVXAUSA-N 2 2 303.494 3.956 20 0 DHADLP C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000763439856 1021830513 /nfs/dbraw/zinc/83/05/13/1021830513.db2.gz GMYKSGJYXPQDEA-HNNXBMFYSA-N 2 2 319.408 3.753 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cs2)cc1 ZINC000262566824 1021960721 /nfs/dbraw/zinc/96/07/21/1021960721.db2.gz WURLVMHZGBVKOK-ZBFHGGJFSA-N 2 2 315.486 3.535 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cs2)cc1 ZINC000262566824 1021960733 /nfs/dbraw/zinc/96/07/33/1021960733.db2.gz WURLVMHZGBVKOK-ZBFHGGJFSA-N 2 2 315.486 3.535 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccnc1Cl ZINC000853239685 1022242699 /nfs/dbraw/zinc/24/26/99/1022242699.db2.gz JFHSUPSSFCUWFG-DZGCQCFKSA-N 2 2 307.869 3.508 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccnc1Cl ZINC000853239685 1022242703 /nfs/dbraw/zinc/24/27/03/1022242703.db2.gz JFHSUPSSFCUWFG-DZGCQCFKSA-N 2 2 307.869 3.508 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)Cc1cccnc1)C2 ZINC001169140806 1022271933 /nfs/dbraw/zinc/27/19/33/1022271933.db2.gz MIPUHIWCGGPSBK-WKCHPHFGSA-N 2 2 321.468 3.709 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)Cc1cccnc1)C2 ZINC001169140806 1022271939 /nfs/dbraw/zinc/27/19/39/1022271939.db2.gz MIPUHIWCGGPSBK-WKCHPHFGSA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccccc1)Cc1cccnc1)C2 ZINC001169140806 1022271950 /nfs/dbraw/zinc/27/19/50/1022271950.db2.gz MIPUHIWCGGPSBK-WKCHPHFGSA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)Cc1cccnc1)C2 ZINC001169140806 1022271955 /nfs/dbraw/zinc/27/19/55/1022271955.db2.gz MIPUHIWCGGPSBK-WKCHPHFGSA-N 2 2 321.468 3.709 20 0 DHADLP CC1(C)C[C@H](Nc2ccc(-n3cccc3)c[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001169142702 1022274010 /nfs/dbraw/zinc/27/40/10/1022274010.db2.gz NUQLJKRNJZFNRJ-HNAYVOBHSA-N 2 2 312.461 3.828 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001169230579 1022311003 /nfs/dbraw/zinc/31/10/03/1022311003.db2.gz HJRYGOSFTIUNLX-UHFFFAOYSA-N 2 2 320.786 3.933 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000268729239 1022372419 /nfs/dbraw/zinc/37/24/19/1022372419.db2.gz SHYADHJNXUDQIN-JENIJYKNSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000268729239 1022372436 /nfs/dbraw/zinc/37/24/36/1022372436.db2.gz SHYADHJNXUDQIN-JENIJYKNSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@H]1C[C@@H](Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc21 ZINC001169379913 1022378948 /nfs/dbraw/zinc/37/89/48/1022378948.db2.gz OPBSGLFONFFNPF-LUQKVYGDSA-N 2 2 321.468 3.880 20 0 DHADLP C[C@H]1C[C@@H](Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc21 ZINC001169379913 1022378963 /nfs/dbraw/zinc/37/89/63/1022378963.db2.gz OPBSGLFONFFNPF-LUQKVYGDSA-N 2 2 321.468 3.880 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2Cl)[C@H](C)C1 ZINC000660081801 1022447999 /nfs/dbraw/zinc/44/79/99/1022447999.db2.gz ISALIZLHRKCPKN-UKRRQHHQSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2Cl)[C@H](C)C1 ZINC000660081801 1022448007 /nfs/dbraw/zinc/44/80/07/1022448007.db2.gz ISALIZLHRKCPKN-UKRRQHHQSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2Cl)[C@H](C)C1 ZINC000660081801 1022448009 /nfs/dbraw/zinc/44/80/09/1022448009.db2.gz ISALIZLHRKCPKN-UKRRQHHQSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2Cl)[C@H](C)C1 ZINC000660081801 1022448019 /nfs/dbraw/zinc/44/80/19/1022448019.db2.gz ISALIZLHRKCPKN-UKRRQHHQSA-N 2 2 310.869 3.511 20 0 DHADLP Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272840102 1022517094 /nfs/dbraw/zinc/51/70/94/1022517094.db2.gz MUYDNCLHOJBWLN-ZDUSSCGKSA-N 2 2 312.442 3.531 20 0 DHADLP c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)CS2 ZINC001172199673 1033060329 /nfs/dbraw/zinc/06/03/29/1033060329.db2.gz WCWNKVZMDNGWEH-IAGOWNOFSA-N 2 2 316.514 3.700 20 0 DHADLP c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)CS2 ZINC001172199673 1033060344 /nfs/dbraw/zinc/06/03/44/1033060344.db2.gz WCWNKVZMDNGWEH-IAGOWNOFSA-N 2 2 316.514 3.700 20 0 DHADLP COc1ccc(C(C)C)cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001169762376 1022535953 /nfs/dbraw/zinc/53/59/53/1022535953.db2.gz VMTIBKQOSQAZDX-UHFFFAOYSA-N 2 2 304.478 3.736 20 0 DHADLP COc1ccc(C(C)C)cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001169762376 1022535961 /nfs/dbraw/zinc/53/59/61/1022535961.db2.gz VMTIBKQOSQAZDX-UHFFFAOYSA-N 2 2 304.478 3.736 20 0 DHADLP CC(C)c1cc(NCC23CC[NH+](CC2)CC3)nc(C(C)C)[nH+]1 ZINC001169794997 1022548430 /nfs/dbraw/zinc/54/84/30/1022548430.db2.gz AQOKKZUQTYJGKQ-UHFFFAOYSA-N 2 2 302.466 3.621 20 0 DHADLP Cc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000364032429 1022600173 /nfs/dbraw/zinc/60/01/73/1022600173.db2.gz IOXSGFKMLZZLJM-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP Cc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000364032429 1022600177 /nfs/dbraw/zinc/60/01/77/1022600177.db2.gz IOXSGFKMLZZLJM-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP CCC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000158555003 1022641157 /nfs/dbraw/zinc/64/11/57/1022641157.db2.gz OZAWTKFQJXCYMC-HXUWFJFHSA-N 2 2 323.484 3.961 20 0 DHADLP CCC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000158555003 1022641169 /nfs/dbraw/zinc/64/11/69/1022641169.db2.gz OZAWTKFQJXCYMC-HXUWFJFHSA-N 2 2 323.484 3.961 20 0 DHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000315526177 1022645873 /nfs/dbraw/zinc/64/58/73/1022645873.db2.gz FPXXPYVATAXSSA-CYBMUJFWSA-N 2 2 309.360 3.616 20 0 DHADLP c1ccc2c(NCc3cc[nH+]c(N4CCCC4)c3)cc[nH+]c2c1 ZINC000264685747 1033070350 /nfs/dbraw/zinc/07/03/50/1033070350.db2.gz YCIQIZVZGZBPIG-UHFFFAOYSA-N 2 2 304.397 3.842 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334842 1022692242 /nfs/dbraw/zinc/69/22/42/1022692242.db2.gz RURYCOWXPYXXAN-MXASKKJJSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334842 1022692248 /nfs/dbraw/zinc/69/22/48/1022692248.db2.gz RURYCOWXPYXXAN-MXASKKJJSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@@H]([NH2+]CCOCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000660239128 1022790265 /nfs/dbraw/zinc/79/02/65/1022790265.db2.gz OYYJRMBCABVUME-QGZVFWFLSA-N 2 2 321.424 3.740 20 0 DHADLP CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172319427 1033083922 /nfs/dbraw/zinc/08/39/22/1033083922.db2.gz QXBMOXNZAVKETE-JKSUJKDBSA-N 2 2 301.434 3.556 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000768102640 1022888552 /nfs/dbraw/zinc/88/85/52/1022888552.db2.gz ANSNCRSTKPRFME-MOPGFXCFSA-N 2 2 314.473 3.537 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc2c(c1)CCCO2 ZINC000768102640 1022888564 /nfs/dbraw/zinc/88/85/64/1022888564.db2.gz ANSNCRSTKPRFME-MOPGFXCFSA-N 2 2 314.473 3.537 20 0 DHADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000072726272 1022901835 /nfs/dbraw/zinc/90/18/35/1022901835.db2.gz CZLSYGICWXRTMC-UHFFFAOYSA-N 2 2 304.821 3.784 20 0 DHADLP c1oc(C2CC2)nc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000768304236 1022943209 /nfs/dbraw/zinc/94/32/09/1022943209.db2.gz VDYLMQUTKWKEBJ-UHFFFAOYSA-N 2 2 317.477 3.640 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000166566997 1023019665 /nfs/dbraw/zinc/01/96/65/1023019665.db2.gz YHNDYKGCUINGMF-SXLOBPIMSA-N 2 2 316.489 3.618 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000166566997 1023019676 /nfs/dbraw/zinc/01/96/76/1023019676.db2.gz YHNDYKGCUINGMF-SXLOBPIMSA-N 2 2 316.489 3.618 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000364360017 1023082604 /nfs/dbraw/zinc/08/26/04/1023082604.db2.gz UXLKNCRQXCWQNV-QZTJIDSGSA-N 2 2 319.493 3.585 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000364360017 1023082609 /nfs/dbraw/zinc/08/26/09/1023082609.db2.gz UXLKNCRQXCWQNV-QZTJIDSGSA-N 2 2 319.493 3.585 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC000769232911 1023103676 /nfs/dbraw/zinc/10/36/76/1023103676.db2.gz OIGMUEYZSGGQKK-UHFFFAOYSA-N 2 2 315.505 3.639 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000769871062 1023234033 /nfs/dbraw/zinc/23/40/33/1023234033.db2.gz XMEWZEUWENZJID-AWEZNQCLSA-N 2 2 307.482 3.851 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000769871062 1023234038 /nfs/dbraw/zinc/23/40/38/1023234038.db2.gz XMEWZEUWENZJID-AWEZNQCLSA-N 2 2 307.482 3.851 20 0 DHADLP c1ccc2c(c1)cncc2C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000770374389 1023299692 /nfs/dbraw/zinc/29/96/92/1023299692.db2.gz NCJBDGSIBREDAZ-UWJYYQICSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(c1)cncc2C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000770374389 1023299699 /nfs/dbraw/zinc/29/96/99/1023299699.db2.gz NCJBDGSIBREDAZ-UWJYYQICSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(c1)cncc2C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000770374389 1023299701 /nfs/dbraw/zinc/29/97/01/1023299701.db2.gz NCJBDGSIBREDAZ-UWJYYQICSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(c1)cncc2C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000770374389 1023299707 /nfs/dbraw/zinc/29/97/07/1023299707.db2.gz NCJBDGSIBREDAZ-UWJYYQICSA-N 2 2 321.468 3.684 20 0 DHADLP COc1ccc(C)cc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674934 1023375798 /nfs/dbraw/zinc/37/57/98/1023375798.db2.gz VHVUHXAAQQZSHE-UHFFFAOYSA-N 2 2 324.468 3.758 20 0 DHADLP CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH+]1CCCC1 ZINC000785529373 1023587006 /nfs/dbraw/zinc/58/70/06/1023587006.db2.gz YZNPXJDPNFWABX-UHFFFAOYSA-N 2 2 314.395 3.712 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cscn1 ZINC000661413231 1023592272 /nfs/dbraw/zinc/59/22/72/1023592272.db2.gz BZERRMSSVXKMFN-HNNXBMFYSA-N 2 2 315.486 3.980 20 0 DHADLP C[C@@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172369819 1033149582 /nfs/dbraw/zinc/14/95/82/1033149582.db2.gz NMTZSGONKBGENS-ILOCAZANSA-N 2 2 301.478 3.983 20 0 DHADLP CC(C)C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000652199737 1023701721 /nfs/dbraw/zinc/70/17/21/1023701721.db2.gz AUMJGTOAGBPAGS-NVXWUHKLSA-N 2 2 301.409 3.783 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661957111 1023825953 /nfs/dbraw/zinc/82/59/53/1023825953.db2.gz DTPBUMBKFKISMA-UHFFFAOYSA-N 2 2 323.440 3.516 20 0 DHADLP CC(C)CCC[C@H](C)[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001170081419 1023847695 /nfs/dbraw/zinc/84/76/95/1023847695.db2.gz OIQPNHUIXDADKX-KRWDZBQOSA-N 2 2 318.509 3.509 20 0 DHADLP CC(C)CCC[C@H](C)[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001170081419 1023847700 /nfs/dbraw/zinc/84/77/00/1023847700.db2.gz OIQPNHUIXDADKX-KRWDZBQOSA-N 2 2 318.509 3.509 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000245791718 1023892504 /nfs/dbraw/zinc/89/25/04/1023892504.db2.gz WIOKDIMMPASBRX-DZGCQCFKSA-N 2 2 309.523 3.603 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000245791718 1023892512 /nfs/dbraw/zinc/89/25/12/1023892512.db2.gz WIOKDIMMPASBRX-DZGCQCFKSA-N 2 2 309.523 3.603 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000245791718 1023892520 /nfs/dbraw/zinc/89/25/20/1023892520.db2.gz WIOKDIMMPASBRX-DZGCQCFKSA-N 2 2 309.523 3.603 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000245791718 1023892525 /nfs/dbraw/zinc/89/25/25/1023892525.db2.gz WIOKDIMMPASBRX-DZGCQCFKSA-N 2 2 309.523 3.603 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2ccccc2c(Cl)n1 ZINC000788490028 1023893046 /nfs/dbraw/zinc/89/30/46/1023893046.db2.gz VDDHZXGQHUZJGF-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2ccccc2c(Cl)n1 ZINC000788490028 1023893050 /nfs/dbraw/zinc/89/30/50/1023893050.db2.gz VDDHZXGQHUZJGF-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP C[C@@H]1CC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C[C@H]1C ZINC001172383282 1033170914 /nfs/dbraw/zinc/17/09/14/1033170914.db2.gz OPLBKCKWDFDUIL-FMKPAKJESA-N 2 2 305.441 3.604 20 0 DHADLP Clc1ccccc1SCCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066175 1023921343 /nfs/dbraw/zinc/92/13/43/1023921343.db2.gz LDTPCEXWHXMTEY-UKRRQHHQSA-N 2 2 310.894 3.506 20 0 DHADLP Clc1ccccc1SCCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643066175 1023921348 /nfs/dbraw/zinc/92/13/48/1023921348.db2.gz LDTPCEXWHXMTEY-UKRRQHHQSA-N 2 2 310.894 3.506 20 0 DHADLP Clc1ccccc1SCCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066174 1023922265 /nfs/dbraw/zinc/92/22/65/1023922265.db2.gz LDTPCEXWHXMTEY-HIFRSBDPSA-N 2 2 310.894 3.506 20 0 DHADLP Clc1ccccc1SCCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643066174 1023922269 /nfs/dbraw/zinc/92/22/69/1023922269.db2.gz LDTPCEXWHXMTEY-HIFRSBDPSA-N 2 2 310.894 3.506 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccco3)s2)CC1 ZINC000194349439 1023998973 /nfs/dbraw/zinc/99/89/73/1023998973.db2.gz UFZMSINAHNXQAG-UHFFFAOYSA-N 2 2 319.474 3.709 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccco3)s2)CC1 ZINC000194349439 1023998981 /nfs/dbraw/zinc/99/89/81/1023998981.db2.gz UFZMSINAHNXQAG-UHFFFAOYSA-N 2 2 319.474 3.709 20 0 DHADLP CC[C@H](CC(C)C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172399391 1033183183 /nfs/dbraw/zinc/18/31/83/1033183183.db2.gz GULGASOHKLOWCB-HSALFYBXSA-N 2 2 315.505 3.660 20 0 DHADLP CC[C@H](CC(C)C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172399391 1033183191 /nfs/dbraw/zinc/18/31/91/1033183191.db2.gz GULGASOHKLOWCB-HSALFYBXSA-N 2 2 315.505 3.660 20 0 DHADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172399391 1033183200 /nfs/dbraw/zinc/18/32/00/1033183200.db2.gz GULGASOHKLOWCB-HSALFYBXSA-N 2 2 315.505 3.660 20 0 DHADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172399391 1033183206 /nfs/dbraw/zinc/18/32/06/1033183206.db2.gz GULGASOHKLOWCB-HSALFYBXSA-N 2 2 315.505 3.660 20 0 DHADLP CC[C@@H](CC(C)C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172399390 1033184521 /nfs/dbraw/zinc/18/45/21/1033184521.db2.gz GULGASOHKLOWCB-AABGKKOBSA-N 2 2 315.505 3.660 20 0 DHADLP CC[C@@H](CC(C)C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172399390 1033184526 /nfs/dbraw/zinc/18/45/26/1033184526.db2.gz GULGASOHKLOWCB-AABGKKOBSA-N 2 2 315.505 3.660 20 0 DHADLP CC[C@@H](CC(C)C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172399390 1033184533 /nfs/dbraw/zinc/18/45/33/1033184533.db2.gz GULGASOHKLOWCB-AABGKKOBSA-N 2 2 315.505 3.660 20 0 DHADLP CC[C@@H](CC(C)C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172399390 1033184539 /nfs/dbraw/zinc/18/45/39/1033184539.db2.gz GULGASOHKLOWCB-AABGKKOBSA-N 2 2 315.505 3.660 20 0 DHADLP [NH3+]CCC[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000662310450 1024096401 /nfs/dbraw/zinc/09/64/01/1024096401.db2.gz KJJRULQDMPPONE-MRXNPFEDSA-N 2 2 306.862 3.698 20 0 DHADLP [NH3+]CCC[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000662310450 1024096418 /nfs/dbraw/zinc/09/64/18/1024096418.db2.gz KJJRULQDMPPONE-MRXNPFEDSA-N 2 2 306.862 3.698 20 0 DHADLP CC(C)COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172469699 1033187577 /nfs/dbraw/zinc/18/75/77/1033187577.db2.gz VUHPLCCKMUHFOY-QUCCMNQESA-N 2 2 318.505 3.692 20 0 DHADLP CC(C)COCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172469699 1033187584 /nfs/dbraw/zinc/18/75/84/1033187584.db2.gz VUHPLCCKMUHFOY-QUCCMNQESA-N 2 2 318.505 3.692 20 0 DHADLP CC(C)COCC[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172472189 1033189799 /nfs/dbraw/zinc/18/97/99/1033189799.db2.gz NJBHYMQFAYVBHD-OAHLLOKOSA-N 2 2 301.434 3.633 20 0 DHADLP Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000268815149 1024169854 /nfs/dbraw/zinc/16/98/54/1024169854.db2.gz VPLLFIQFTVGOOA-OXJNMPFZSA-N 2 2 321.424 3.565 20 0 DHADLP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268957417 1024204327 /nfs/dbraw/zinc/20/43/27/1024204327.db2.gz WLHZGBFEZMXHEC-OXQOHEQNSA-N 2 2 321.424 3.565 20 0 DHADLP COCc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000121422915 1024237578 /nfs/dbraw/zinc/23/75/78/1024237578.db2.gz RSKCINUWQDPCOX-INIZCTEOSA-N 2 2 321.424 3.870 20 0 DHADLP CC(C)COCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172485847 1033197611 /nfs/dbraw/zinc/19/76/11/1033197611.db2.gz ZIGLUVYIOABMIW-QGZVFWFLSA-N 2 2 315.461 3.755 20 0 DHADLP CC(C)COCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172485847 1033197619 /nfs/dbraw/zinc/19/76/19/1033197619.db2.gz ZIGLUVYIOABMIW-QGZVFWFLSA-N 2 2 315.461 3.755 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1Cl ZINC000531684099 1024270089 /nfs/dbraw/zinc/27/00/89/1024270089.db2.gz ROJHMADYQWWGNR-ZDUSSCGKSA-N 2 2 307.825 3.676 20 0 DHADLP Cc1nc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cs1 ZINC000269418412 1024275950 /nfs/dbraw/zinc/27/59/50/1024275950.db2.gz LBIHVYVTNIQCAC-NSHDSACASA-N 2 2 307.438 3.503 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883207160 1024288025 /nfs/dbraw/zinc/28/80/25/1024288025.db2.gz HHUDRBMIGWCMRD-APWZRJJASA-N 2 2 313.489 3.919 20 0 DHADLP Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269766647 1024314756 /nfs/dbraw/zinc/31/47/56/1024314756.db2.gz MTARMCVNPMECDU-LRDDRELGSA-N 2 2 301.821 3.930 20 0 DHADLP Clc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269766647 1024314766 /nfs/dbraw/zinc/31/47/66/1024314766.db2.gz MTARMCVNPMECDU-LRDDRELGSA-N 2 2 301.821 3.930 20 0 DHADLP CCC[C@H](C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000883258073 1024330143 /nfs/dbraw/zinc/33/01/43/1024330143.db2.gz QQJSXSOQTBGBGV-JENIJYKNSA-N 2 2 303.494 3.708 20 0 DHADLP CCC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000883258073 1024330159 /nfs/dbraw/zinc/33/01/59/1024330159.db2.gz QQJSXSOQTBGBGV-JENIJYKNSA-N 2 2 303.494 3.708 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000270607422 1024408000 /nfs/dbraw/zinc/40/80/00/1024408000.db2.gz BXQWXCFPLBTJNH-WMZOPIPTSA-N 2 2 313.445 3.556 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000270646703 1024411669 /nfs/dbraw/zinc/41/16/69/1024411669.db2.gz KSBPLKQSTFDGRZ-LJQANCHMSA-N 2 2 308.429 3.900 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000270646703 1024411672 /nfs/dbraw/zinc/41/16/72/1024411672.db2.gz KSBPLKQSTFDGRZ-LJQANCHMSA-N 2 2 308.429 3.900 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386570 1024420058 /nfs/dbraw/zinc/42/00/58/1024420058.db2.gz INGOJTQCHWXSIE-LPHOPBHVSA-N 2 2 309.413 3.828 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386572 1024420743 /nfs/dbraw/zinc/42/07/43/1024420743.db2.gz INGOJTQCHWXSIE-VQIMIIECSA-N 2 2 309.413 3.828 20 0 DHADLP FC1(F)CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883388156 1024422886 /nfs/dbraw/zinc/42/28/86/1024422886.db2.gz OJTVYZCJPHQOAI-INIZCTEOSA-N 2 2 305.372 3.792 20 0 DHADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453277749 1024437471 /nfs/dbraw/zinc/43/74/71/1024437471.db2.gz BQDQUKRUMLJZGE-MLYOOKFZSA-N 2 2 315.505 3.708 20 0 DHADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453277749 1024437473 /nfs/dbraw/zinc/43/74/73/1024437473.db2.gz BQDQUKRUMLJZGE-MLYOOKFZSA-N 2 2 315.505 3.708 20 0 DHADLP CC1(C)Cc2cccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c2O1 ZINC000271134430 1024459378 /nfs/dbraw/zinc/45/93/78/1024459378.db2.gz BOBPTIUWLUIHDG-UHFFFAOYSA-N 2 2 311.429 3.503 20 0 DHADLP CC1(C)Cc2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)ccc2O1 ZINC000271181004 1024466504 /nfs/dbraw/zinc/46/65/04/1024466504.db2.gz HIWLBRYHACQGJM-UHFFFAOYSA-N 2 2 311.429 3.503 20 0 DHADLP Cc1ccc2c(Nc3cc[nH+]c(N4CCOCC4)c3)cccc2[nH+]1 ZINC001212796387 1024485728 /nfs/dbraw/zinc/48/57/28/1024485728.db2.gz XPKIOAFLPQFPFU-UHFFFAOYSA-N 2 2 320.396 3.518 20 0 DHADLP CC(C)COCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001172466086 1033217244 /nfs/dbraw/zinc/21/72/44/1033217244.db2.gz AKPYAJONKIPLPZ-MRXNPFEDSA-N 2 2 322.468 3.527 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000271564370 1024541884 /nfs/dbraw/zinc/54/18/84/1024541884.db2.gz XNMQNLLVCRLDPM-SJORKVTESA-N 2 2 324.472 3.661 20 0 DHADLP CC(C)COCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001172466083 1033218742 /nfs/dbraw/zinc/21/87/42/1033218742.db2.gz AKPYAJONKIPLPZ-INIZCTEOSA-N 2 2 322.468 3.527 20 0 DHADLP c1cn(Cc2cccc(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC000348247320 1024560824 /nfs/dbraw/zinc/56/08/24/1024560824.db2.gz QXWAZSUNXMRYFH-LEWJYISDSA-N 2 2 317.436 3.825 20 0 DHADLP CCCC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925795334 1024569389 /nfs/dbraw/zinc/56/93/89/1024569389.db2.gz JZCMKUYMTLOUIF-RBUKOAKNSA-N 2 2 316.489 3.666 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000532239038 1024586571 /nfs/dbraw/zinc/58/65/71/1024586571.db2.gz ABMGSUFRDWBGAS-DLBZAZTESA-N 2 2 309.457 3.741 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000532239038 1024586579 /nfs/dbraw/zinc/58/65/79/1024586579.db2.gz ABMGSUFRDWBGAS-DLBZAZTESA-N 2 2 309.457 3.741 20 0 DHADLP CSC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000193806804 1024608361 /nfs/dbraw/zinc/60/83/61/1024608361.db2.gz NVXZNZQPDDEJAH-CQSZACIVSA-N 2 2 301.459 3.809 20 0 DHADLP C[N@H+](Cc1ccccc1OCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348879363 1024638909 /nfs/dbraw/zinc/63/89/09/1024638909.db2.gz SOGGJKWPMXYEPT-DFNIBXOVSA-N 2 2 314.473 3.532 20 0 DHADLP C[N@@H+](Cc1ccccc1OCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348879363 1024638919 /nfs/dbraw/zinc/63/89/19/1024638919.db2.gz SOGGJKWPMXYEPT-DFNIBXOVSA-N 2 2 314.473 3.532 20 0 DHADLP C[NH+](Cc1ccccc1OCC1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348879363 1024638926 /nfs/dbraw/zinc/63/89/26/1024638926.db2.gz SOGGJKWPMXYEPT-DFNIBXOVSA-N 2 2 314.473 3.532 20 0 DHADLP C[NH+](Cc1ccccc1OCC1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348879363 1024638932 /nfs/dbraw/zinc/63/89/32/1024638932.db2.gz SOGGJKWPMXYEPT-DFNIBXOVSA-N 2 2 314.473 3.532 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000760156173 1024676116 /nfs/dbraw/zinc/67/61/16/1024676116.db2.gz IWWUYVXISDVEIX-NXEZZACHSA-N 2 2 313.232 3.511 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760156179 1024676139 /nfs/dbraw/zinc/67/61/39/1024676139.db2.gz IWWUYVXISDVEIX-VHSXEESVSA-N 2 2 313.232 3.511 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001170259484 1024716931 /nfs/dbraw/zinc/71/69/31/1024716931.db2.gz DBSCMZUAXTVYNV-HOCLYGCPSA-N 2 2 308.897 3.981 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001170259484 1024716946 /nfs/dbraw/zinc/71/69/46/1024716946.db2.gz DBSCMZUAXTVYNV-HOCLYGCPSA-N 2 2 308.897 3.981 20 0 DHADLP Cc1[nH+]ccn1CCCCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663658467 1024720998 /nfs/dbraw/zinc/72/09/98/1024720998.db2.gz UQBGOVVFVOIUPH-UHFFFAOYSA-N 2 2 312.339 3.806 20 0 DHADLP C[C@H](Cc1ccccc1Cl)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001170283963 1024737087 /nfs/dbraw/zinc/73/70/87/1024737087.db2.gz CIDUTAJMMNNLFV-HIFRSBDPSA-N 2 2 303.837 3.807 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+]CC1(OC)CCCC1)c1ccccc1 ZINC000319802625 1024746859 /nfs/dbraw/zinc/74/68/59/1024746859.db2.gz GOBMNMKMLTYCFE-GOSISDBHSA-N 2 2 304.478 3.618 20 0 DHADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(C)ccc1OC ZINC000538986835 1033238898 /nfs/dbraw/zinc/23/88/98/1033238898.db2.gz HXNSAKXJBFQJGC-KRWDZBQOSA-N 2 2 301.434 3.721 20 0 DHADLP CC(C)(C)c1ncc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000059181027 1024947627 /nfs/dbraw/zinc/94/76/27/1024947627.db2.gz TUSXCOYUGRCXOB-UHFFFAOYSA-N 2 2 309.523 3.793 20 0 DHADLP CCC[C@H](CC)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000134117266 1024965961 /nfs/dbraw/zinc/96/59/61/1024965961.db2.gz IIEIJKITCHTSEX-INIZCTEOSA-N 2 2 303.494 3.890 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CC2 ZINC000151337553 1025032750 /nfs/dbraw/zinc/03/27/50/1025032750.db2.gz XTJFSXQPRDEUEI-FQEVSTJZSA-N 2 2 321.399 3.848 20 0 DHADLP COCCCC[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000348320485 1025033552 /nfs/dbraw/zinc/03/35/52/1025033552.db2.gz NANDXCMQOUPXNS-HXUWFJFHSA-N 2 2 318.505 3.866 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CC[N@@H+]1C ZINC000348320765 1025033920 /nfs/dbraw/zinc/03/39/20/1025033920.db2.gz HLBBQXIHGPNLBE-ONGXEEELSA-N 2 2 322.321 3.556 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CC[N@H+]1C ZINC000348320765 1025033927 /nfs/dbraw/zinc/03/39/27/1025033927.db2.gz HLBBQXIHGPNLBE-ONGXEEELSA-N 2 2 322.321 3.556 20 0 DHADLP FCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000353399812 1025054623 /nfs/dbraw/zinc/05/46/23/1025054623.db2.gz DJXKJBJKTFQJOV-QZTJIDSGSA-N 2 2 301.409 3.549 20 0 DHADLP CCCCc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000321664225 1025116787 /nfs/dbraw/zinc/11/67/87/1025116787.db2.gz RGVRCGXNSVZKLH-FFZOFVMBSA-N 2 2 316.489 3.543 20 0 DHADLP CCCCc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000321664225 1025116793 /nfs/dbraw/zinc/11/67/93/1025116793.db2.gz RGVRCGXNSVZKLH-FFZOFVMBSA-N 2 2 316.489 3.543 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)ccc1OC ZINC000353640508 1025171347 /nfs/dbraw/zinc/17/13/47/1025171347.db2.gz HKVCGMRJWZHJND-GXTWGEPZSA-N 2 2 319.836 3.670 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccsc2S1 ZINC000353652356 1025179777 /nfs/dbraw/zinc/17/97/77/1025179777.db2.gz WJKCZHMFGMMDNY-NRUUGDAUSA-N 2 2 305.472 3.544 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@@H]1C ZINC000353748780 1025233784 /nfs/dbraw/zinc/23/37/84/1025233784.db2.gz JBABOCSXEWQRDU-WMLDXEAASA-N 2 2 320.525 3.560 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@@H]1C ZINC000353748780 1025233794 /nfs/dbraw/zinc/23/37/94/1025233794.db2.gz JBABOCSXEWQRDU-WMLDXEAASA-N 2 2 320.525 3.560 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@@H]1C ZINC000353748780 1025233802 /nfs/dbraw/zinc/23/38/02/1025233802.db2.gz JBABOCSXEWQRDU-WMLDXEAASA-N 2 2 320.525 3.560 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@@H]1C ZINC000353748780 1025233812 /nfs/dbraw/zinc/23/38/12/1025233812.db2.gz JBABOCSXEWQRDU-WMLDXEAASA-N 2 2 320.525 3.560 20 0 DHADLP Clc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282042934 1025233900 /nfs/dbraw/zinc/23/39/00/1025233900.db2.gz XJVMRFKSYPWPCN-CYBMUJFWSA-N 2 2 316.836 3.652 20 0 DHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000354165101 1025374069 /nfs/dbraw/zinc/37/40/69/1025374069.db2.gz DTHJYQXFQFMASA-GOSISDBHSA-N 2 2 319.518 3.718 20 0 DHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000354165101 1025374079 /nfs/dbraw/zinc/37/40/79/1025374079.db2.gz DTHJYQXFQFMASA-GOSISDBHSA-N 2 2 319.518 3.718 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000354165101 1025374092 /nfs/dbraw/zinc/37/40/92/1025374092.db2.gz DTHJYQXFQFMASA-GOSISDBHSA-N 2 2 319.518 3.718 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)C1 ZINC000354165101 1025374106 /nfs/dbraw/zinc/37/41/06/1025374106.db2.gz DTHJYQXFQFMASA-GOSISDBHSA-N 2 2 319.518 3.718 20 0 DHADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123613465 1025392988 /nfs/dbraw/zinc/39/29/88/1025392988.db2.gz YHEVPTDGEQDXQE-LSDHHAIUSA-N 2 2 301.409 3.575 20 0 DHADLP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123613465 1025393004 /nfs/dbraw/zinc/39/30/04/1025393004.db2.gz YHEVPTDGEQDXQE-LSDHHAIUSA-N 2 2 301.409 3.575 20 0 DHADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000354652291 1025476412 /nfs/dbraw/zinc/47/64/12/1025476412.db2.gz QDMOKWTTZXAPHU-HNNXBMFYSA-N 2 2 315.436 3.576 20 0 DHADLP CCc1cccc(F)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000354652291 1025476419 /nfs/dbraw/zinc/47/64/19/1025476419.db2.gz QDMOKWTTZXAPHU-HNNXBMFYSA-N 2 2 315.436 3.576 20 0 DHADLP C[NH+](C)CCOc1cccc(Nc2ccccc2-n2cc[nH+]c2)c1 ZINC001212806997 1025490298 /nfs/dbraw/zinc/49/02/98/1025490298.db2.gz FSYVTIAVBVXFDS-UHFFFAOYSA-N 2 2 322.412 3.556 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001207726931 1025526397 /nfs/dbraw/zinc/52/63/97/1025526397.db2.gz BPCKOSOHOPJBCV-STQMWFEESA-N 2 2 300.899 3.797 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001207726931 1025526401 /nfs/dbraw/zinc/52/64/01/1025526401.db2.gz BPCKOSOHOPJBCV-STQMWFEESA-N 2 2 300.899 3.797 20 0 DHADLP C[C@H](CC[NH+]1CCC(n2cc[nH+]c2)CC1)OCc1ccccc1 ZINC000354831548 1025518868 /nfs/dbraw/zinc/51/88/68/1025518868.db2.gz GPDISHKGJHZFNH-QGZVFWFLSA-N 2 2 313.445 3.515 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000354935642 1025550325 /nfs/dbraw/zinc/55/03/25/1025550325.db2.gz RBTCTPMKNLHRFA-KGLIPLIRSA-N 2 2 317.502 3.862 20 0 DHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000886506370 1025662003 /nfs/dbraw/zinc/66/20/03/1025662003.db2.gz OFKSLZCUFGCEOK-HXUWFJFHSA-N 2 2 321.468 3.632 20 0 DHADLP COC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC(C)CC1 ZINC000355413932 1025715194 /nfs/dbraw/zinc/71/51/94/1025715194.db2.gz DFSIHNYCHOWACK-UHFFFAOYSA-N 2 2 313.445 3.557 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3cccc(F)c3F)CC2)[nH+]c1C ZINC000886672701 1025776623 /nfs/dbraw/zinc/77/66/23/1025776623.db2.gz UAIVSEPFBMYQDL-UHFFFAOYSA-N 2 2 305.372 3.684 20 0 DHADLP Clc1ccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000077285472 1025894908 /nfs/dbraw/zinc/89/49/08/1025894908.db2.gz GKJHZHNAOMLDMW-UHFFFAOYSA-N 2 2 303.837 3.806 20 0 DHADLP CSc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000356128671 1025956988 /nfs/dbraw/zinc/95/69/88/1025956988.db2.gz AENXUXBOPHUTOK-AWEZNQCLSA-N 2 2 310.532 3.920 20 0 DHADLP CSc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000356128671 1025956993 /nfs/dbraw/zinc/95/69/93/1025956993.db2.gz AENXUXBOPHUTOK-AWEZNQCLSA-N 2 2 310.532 3.920 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245547179 1026068605 /nfs/dbraw/zinc/06/86/05/1026068605.db2.gz MNMJLTCYMWCYFD-FMKPAKJESA-N 2 2 310.401 3.668 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245547179 1026068634 /nfs/dbraw/zinc/06/86/34/1026068634.db2.gz MNMJLTCYMWCYFD-FMKPAKJESA-N 2 2 310.401 3.668 20 0 DHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261725549 1026105688 /nfs/dbraw/zinc/10/56/88/1026105688.db2.gz RCWIFVKUZBFVOR-NHCUHLMSSA-N 3 2 323.484 3.763 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1C ZINC000093645116 1026117885 /nfs/dbraw/zinc/11/78/85/1026117885.db2.gz KCWTVKWRKNVBQV-SMDDNHRTSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2C(F)(F)F)CC[N@H+]1C ZINC000093645116 1026117893 /nfs/dbraw/zinc/11/78/93/1026117893.db2.gz KCWTVKWRKNVBQV-SMDDNHRTSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC[NH+]1C ZINC000093645116 1026117901 /nfs/dbraw/zinc/11/79/01/1026117901.db2.gz KCWTVKWRKNVBQV-SMDDNHRTSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC[NH+]1C ZINC000093645116 1026117907 /nfs/dbraw/zinc/11/79/07/1026117907.db2.gz KCWTVKWRKNVBQV-SMDDNHRTSA-N 2 2 318.358 3.759 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000356886049 1026210797 /nfs/dbraw/zinc/21/07/97/1026210797.db2.gz XJSWTUZWVXBKCX-MRXNPFEDSA-N 2 2 320.440 3.740 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+](C)[C@H]2CCCc3ccccc32)s1 ZINC000809540483 1026548674 /nfs/dbraw/zinc/54/86/74/1026548674.db2.gz VEVYABNPIBIXLD-KRWDZBQOSA-N 2 2 315.486 3.714 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+](C)[C@H]2CCCc3ccccc32)s1 ZINC000809540483 1026548679 /nfs/dbraw/zinc/54/86/79/1026548679.db2.gz VEVYABNPIBIXLD-KRWDZBQOSA-N 2 2 315.486 3.714 20 0 DHADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319635899 1026732300 /nfs/dbraw/zinc/73/23/00/1026732300.db2.gz BMGMSIUOKIAAPX-CRAIPNDOSA-N 2 2 315.461 3.966 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1Cl ZINC000421819887 1027054650 /nfs/dbraw/zinc/05/46/50/1027054650.db2.gz JMGAZLWDWHTOPM-RBSFLKMASA-N 2 2 309.885 3.754 20 0 DHADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)c(F)c1 ZINC000421820509 1027057648 /nfs/dbraw/zinc/05/76/48/1027057648.db2.gz MPJHPLHYBZLDJE-IBGZPJMESA-N 2 2 318.436 3.502 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421816546 1027064084 /nfs/dbraw/zinc/06/40/84/1027064084.db2.gz QALSHPRUFKGFLL-SFHVURJKSA-N 2 2 308.441 3.605 20 0 DHADLP CSCC1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000295228180 1027154290 /nfs/dbraw/zinc/15/42/90/1027154290.db2.gz RORDQXDXNGDVQW-UHFFFAOYSA-N 2 2 307.507 3.785 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cs2)o1 ZINC000422642350 1027294153 /nfs/dbraw/zinc/29/41/53/1027294153.db2.gz ZINHNGKPJSPXKN-OBJOEFQTSA-N 2 2 319.474 3.517 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cs2)o1 ZINC000422642350 1027294164 /nfs/dbraw/zinc/29/41/64/1027294164.db2.gz ZINHNGKPJSPXKN-OBJOEFQTSA-N 2 2 319.474 3.517 20 0 DHADLP COc1ccc(-c2csc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)c2)cc1 ZINC000422834053 1027334902 /nfs/dbraw/zinc/33/49/02/1027334902.db2.gz ZJLSRNCYYNYNOA-UGSOOPFHSA-N 2 2 316.470 3.511 20 0 DHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000574030975 1027354500 /nfs/dbraw/zinc/35/45/00/1027354500.db2.gz HJEUCUGJPOMFPF-ZDUSSCGKSA-N 2 2 307.825 3.676 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnoc2C2CC2)C1 ZINC000362752284 1027370018 /nfs/dbraw/zinc/37/00/18/1027370018.db2.gz FNHRMLCUTLZQSK-JKSUJKDBSA-N 2 2 317.477 3.638 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnoc2C2CC2)C1 ZINC000362752284 1027370026 /nfs/dbraw/zinc/37/00/26/1027370026.db2.gz FNHRMLCUTLZQSK-JKSUJKDBSA-N 2 2 317.477 3.638 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnoc2C2CC2)C1 ZINC000362752284 1027370034 /nfs/dbraw/zinc/37/00/34/1027370034.db2.gz FNHRMLCUTLZQSK-JKSUJKDBSA-N 2 2 317.477 3.638 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnoc2C2CC2)C1 ZINC000362752284 1027370048 /nfs/dbraw/zinc/37/00/48/1027370048.db2.gz FNHRMLCUTLZQSK-JKSUJKDBSA-N 2 2 317.477 3.638 20 0 DHADLP COc1ccccc1[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422958754 1027379346 /nfs/dbraw/zinc/37/93/46/1027379346.db2.gz PUJQCTAOXOEWSX-APZTZJSISA-N 2 2 322.452 3.657 20 0 DHADLP COc1ccc([C@@H]([NH2+]C2CCC(F)(F)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423017331 1027391144 /nfs/dbraw/zinc/39/11/44/1027391144.db2.gz WAHVLCGDJHEWKR-IAGOWNOFSA-N 2 2 324.415 3.656 20 0 DHADLP Fc1ccc([C@H](CC(F)(F)F)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423029384 1027396568 /nfs/dbraw/zinc/39/65/68/1027396568.db2.gz UWKMRIANYLTYSB-IXXDHKBRSA-N 2 2 316.342 3.692 20 0 DHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423190396 1027449437 /nfs/dbraw/zinc/44/94/37/1027449437.db2.gz NWKIOOWGOVFIAJ-MAUKXSAKSA-N 2 2 310.441 3.765 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CCC2)o1 ZINC000423192241 1027453586 /nfs/dbraw/zinc/45/35/86/1027453586.db2.gz UXXKSRMFRQYKRF-LJQANCHMSA-N 2 2 313.445 3.594 20 0 DHADLP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1SC ZINC000423233982 1027456301 /nfs/dbraw/zinc/45/63/01/1027456301.db2.gz FFFPHTFYXZSIKC-CJNGLKHVSA-N 2 2 316.470 3.768 20 0 DHADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000423239311 1027459859 /nfs/dbraw/zinc/45/98/59/1027459859.db2.gz JTOYLJGXAORQAX-WBMJQRKESA-N 2 2 324.346 3.936 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932380623 1027469709 /nfs/dbraw/zinc/46/97/09/1027469709.db2.gz DAWXZXURPMEYER-FQEVSTJZSA-N 2 2 318.424 3.817 20 0 DHADLP [NH3+][C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)c1ccccc1 ZINC000423240750 1027472530 /nfs/dbraw/zinc/47/25/30/1027472530.db2.gz CUEWKPKEVVYBGY-NKELODKYSA-N 2 2 302.462 3.546 20 0 DHADLP CC[C@@H]([NH2+][C@@H](C[NH3+])CC(C)C)c1ccccc1OC(F)F ZINC000423258586 1027479606 /nfs/dbraw/zinc/47/96/06/1027479606.db2.gz CAEBNUWAMVWTLQ-TZMCWYRMSA-N 2 2 300.393 3.702 20 0 DHADLP c1cn(CCC[N@H+](Cc2nc3ccccc3s2)C2CC2)c[nH+]1 ZINC000932399790 1027482761 /nfs/dbraw/zinc/48/27/61/1027482761.db2.gz YZTUQXNNRNSKMI-UHFFFAOYSA-N 2 2 312.442 3.548 20 0 DHADLP c1cn(CCC[N@@H+](Cc2nc3ccccc3s2)C2CC2)c[nH+]1 ZINC000932399790 1027482763 /nfs/dbraw/zinc/48/27/63/1027482763.db2.gz YZTUQXNNRNSKMI-UHFFFAOYSA-N 2 2 312.442 3.548 20 0 DHADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423273487 1027489354 /nfs/dbraw/zinc/48/93/54/1027489354.db2.gz JAMPFLIWDQREPJ-RNCFNFMXSA-N 2 2 323.234 3.583 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423294633 1027498792 /nfs/dbraw/zinc/49/87/92/1027498792.db2.gz CLRNWGQVMVBQBB-IUODEOHRSA-N 2 2 315.383 3.585 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000423299208 1027503884 /nfs/dbraw/zinc/50/38/84/1027503884.db2.gz PSMDWVIUADQWSK-RYUDHWBXSA-N 2 2 314.857 3.525 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OCC ZINC000423368451 1027523475 /nfs/dbraw/zinc/52/34/75/1027523475.db2.gz RYERAJSNLMDGHW-HYVNUMGLSA-N 2 2 320.477 3.523 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000423371581 1027523629 /nfs/dbraw/zinc/52/36/29/1027523629.db2.gz ALPWCJWEFIFGNF-RISCZKNCSA-N 2 2 304.356 3.624 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000423402109 1027538873 /nfs/dbraw/zinc/53/88/73/1027538873.db2.gz RGHWQGWUIGKDBJ-UINNMSKDSA-N 2 2 305.224 3.781 20 0 DHADLP CC(=O)c1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000296109501 1027542849 /nfs/dbraw/zinc/54/28/49/1027542849.db2.gz VFFGEHWGCANKBV-UHFFFAOYSA-N 2 2 324.424 3.636 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000423498844 1027565397 /nfs/dbraw/zinc/56/53/97/1027565397.db2.gz ILENRRAMDZFIQZ-RTBURBONSA-N 2 2 310.441 3.535 20 0 DHADLP Cc1cccc(NC2CC[NH+](Cc3ccc(Cl)nc3)CC2)[nH+]1 ZINC000363232336 1027567044 /nfs/dbraw/zinc/56/70/44/1027567044.db2.gz SNHMVEAQPDXJET-UHFFFAOYSA-N 2 2 316.836 3.515 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423508925 1027568652 /nfs/dbraw/zinc/56/86/52/1027568652.db2.gz RFVJYCIQFASHFI-PMACEKPBSA-N 2 2 310.441 3.622 20 0 DHADLP C[C@H]1C[C@@H]1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000576522473 1027626594 /nfs/dbraw/zinc/62/65/94/1027626594.db2.gz CVYDTWFXNIKULA-GOEBONIOSA-N 2 2 303.837 3.695 20 0 DHADLP C[C@H]1C[C@@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000576522473 1027626602 /nfs/dbraw/zinc/62/66/02/1027626602.db2.gz CVYDTWFXNIKULA-GOEBONIOSA-N 2 2 303.837 3.695 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000296452922 1027641327 /nfs/dbraw/zinc/64/13/27/1027641327.db2.gz MWGXYHZFXGWGIH-INIZCTEOSA-N 2 2 320.440 3.896 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000577136742 1027714088 /nfs/dbraw/zinc/71/40/88/1027714088.db2.gz WDIDILILSGLFOF-VBNZEHGJSA-N 2 2 312.379 3.935 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000577136742 1027714108 /nfs/dbraw/zinc/71/41/08/1027714108.db2.gz WDIDILILSGLFOF-VBNZEHGJSA-N 2 2 312.379 3.935 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000577136742 1027714126 /nfs/dbraw/zinc/71/41/26/1027714126.db2.gz WDIDILILSGLFOF-VBNZEHGJSA-N 2 2 312.379 3.935 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000577136742 1027714143 /nfs/dbraw/zinc/71/41/43/1027714143.db2.gz WDIDILILSGLFOF-VBNZEHGJSA-N 2 2 312.379 3.935 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CC[C@H](Cc3ccccc3)C1)C2 ZINC000364649048 1027863648 /nfs/dbraw/zinc/86/36/48/1027863648.db2.gz SOYSEWNVJNILCA-QYZOEREBSA-N 2 2 309.457 3.507 20 0 DHADLP c1cncc(-c2cccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)c2)c1 ZINC000527812301 1027897721 /nfs/dbraw/zinc/89/77/21/1027897721.db2.gz ZPLKTCFFTZVURK-OAQYLSRUSA-N 2 2 321.468 3.855 20 0 DHADLP c1cncc(-c2cccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)c2)c1 ZINC000527812301 1027897743 /nfs/dbraw/zinc/89/77/43/1027897743.db2.gz ZPLKTCFFTZVURK-OAQYLSRUSA-N 2 2 321.468 3.855 20 0 DHADLP Cc1nc2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)cc2s1 ZINC000527813904 1027898620 /nfs/dbraw/zinc/89/86/20/1027898620.db2.gz ZPWYAYYYNJDSCW-MRXNPFEDSA-N 2 2 315.486 3.711 20 0 DHADLP Cc1nc2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)cc2s1 ZINC000527813904 1027898626 /nfs/dbraw/zinc/89/86/26/1027898626.db2.gz ZPWYAYYYNJDSCW-MRXNPFEDSA-N 2 2 315.486 3.711 20 0 DHADLP c1ccc(C[NH+]2CCC(Nc3[nH+]ccc4ccccc43)CC2)nc1 ZINC000527856071 1027921241 /nfs/dbraw/zinc/92/12/41/1027921241.db2.gz YYPUAJUZEOORDU-UHFFFAOYSA-N 2 2 318.424 3.706 20 0 DHADLP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1Cl ZINC000365307116 1027921787 /nfs/dbraw/zinc/92/17/87/1027921787.db2.gz ARBXKUCTTYPCBB-NEPJUHHUSA-N 2 2 317.235 3.849 20 0 DHADLP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1Cl ZINC000365307116 1027921799 /nfs/dbraw/zinc/92/17/99/1027921799.db2.gz ARBXKUCTTYPCBB-NEPJUHHUSA-N 2 2 317.235 3.849 20 0 DHADLP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527945237 1027977491 /nfs/dbraw/zinc/97/74/91/1027977491.db2.gz FBXILJWGJCWPJA-DOTOQJQBSA-N 2 2 323.484 3.632 20 0 DHADLP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527945237 1027977512 /nfs/dbraw/zinc/97/75/12/1027977512.db2.gz FBXILJWGJCWPJA-DOTOQJQBSA-N 2 2 323.484 3.632 20 0 DHADLP Cc1ccc(CC[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000365890529 1028024911 /nfs/dbraw/zinc/02/49/11/1028024911.db2.gz ILMUUWMIBQZRRD-UHFFFAOYSA-N 2 2 309.457 3.533 20 0 DHADLP Cc1ccc(CC[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000365890529 1028024924 /nfs/dbraw/zinc/02/49/24/1028024924.db2.gz ILMUUWMIBQZRRD-UHFFFAOYSA-N 2 2 309.457 3.533 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000528012076 1028042650 /nfs/dbraw/zinc/04/26/50/1028042650.db2.gz NQDNCMKHOIDHRQ-CZUORRHYSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000528012076 1028042666 /nfs/dbraw/zinc/04/26/66/1028042666.db2.gz NQDNCMKHOIDHRQ-CZUORRHYSA-N 2 2 324.415 3.956 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1cccc(C)c1)C1CC1)CCC2 ZINC000366230384 1028069853 /nfs/dbraw/zinc/06/98/53/1028069853.db2.gz LIFYPVABPJMJKT-VQTJNVASSA-N 2 2 323.484 3.988 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470850 1028158734 /nfs/dbraw/zinc/15/87/34/1028158734.db2.gz VRETUOYLJHZDOR-DOMZBBRYSA-N 2 2 306.837 3.858 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470850 1028158743 /nfs/dbraw/zinc/15/87/43/1028158743.db2.gz VRETUOYLJHZDOR-DOMZBBRYSA-N 2 2 306.837 3.858 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470850 1028158750 /nfs/dbraw/zinc/15/87/50/1028158750.db2.gz VRETUOYLJHZDOR-DOMZBBRYSA-N 2 2 306.837 3.858 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470850 1028158755 /nfs/dbraw/zinc/15/87/55/1028158755.db2.gz VRETUOYLJHZDOR-DOMZBBRYSA-N 2 2 306.837 3.858 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COc3c2cccc3Cl)CC1 ZINC000367400617 1028178011 /nfs/dbraw/zinc/17/80/11/1028178011.db2.gz DDWQJQCXDQPJBT-OAHLLOKOSA-N 2 2 308.853 3.626 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)[C@H]1C[C@@H]1c1cccs1 ZINC000367436669 1028185727 /nfs/dbraw/zinc/18/57/27/1028185727.db2.gz GYYLEFMWIWFPLP-TUVASFSCSA-N 2 2 301.459 3.604 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102780 1028296977 /nfs/dbraw/zinc/29/69/77/1028296977.db2.gz PTJNQWQBXFTRCV-AAEUAGOBSA-N 2 2 323.362 3.507 20 0 DHADLP CC(C)[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(F)c1 ZINC000368101517 1028297744 /nfs/dbraw/zinc/29/77/44/1028297744.db2.gz KXAUOFOOQMOVNV-SJCJKPOMSA-N 2 2 305.372 3.532 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)cc1 ZINC000368102257 1028299056 /nfs/dbraw/zinc/29/90/56/1028299056.db2.gz XSHAKBCWDQOVKB-GHTZIAJQSA-N 2 2 317.436 3.955 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)C2 ZINC000368103554 1028304375 /nfs/dbraw/zinc/30/43/75/1028304375.db2.gz WUNYYIKPQRWBKK-QUCCMNQESA-N 2 2 317.436 3.841 20 0 DHADLP Fc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)cc1 ZINC000368103345 1028305696 /nfs/dbraw/zinc/30/56/96/1028305696.db2.gz VATWXSDPIGFHAG-YLJYHZDGSA-N 2 2 321.399 3.785 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCCC23CCC3)[nH+]1 ZINC000449074947 1028336155 /nfs/dbraw/zinc/33/61/55/1028336155.db2.gz QECYTVWGAHTVOL-SFHVURJKSA-N 2 2 309.457 3.786 20 0 DHADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000449078759 1028345160 /nfs/dbraw/zinc/34/51/60/1028345160.db2.gz YLDYJVBLCSOCBL-LMMKCTJWSA-N 2 2 311.473 3.888 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]4CCC[C@H]43)sc2C1 ZINC000368617819 1028385392 /nfs/dbraw/zinc/38/53/92/1028385392.db2.gz SOAYTQJUDIPXPN-GDBMZVCRSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]4CCC[C@H]43)sc2C1 ZINC000368617819 1028385408 /nfs/dbraw/zinc/38/54/08/1028385408.db2.gz SOAYTQJUDIPXPN-GDBMZVCRSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H]4CCC[C@H]43)sc2C1 ZINC000368617819 1028385448 /nfs/dbraw/zinc/38/54/48/1028385448.db2.gz SOAYTQJUDIPXPN-GDBMZVCRSA-N 2 2 319.518 3.674 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)Cc1ccoc1)c1ccccc1 ZINC000449143857 1028399590 /nfs/dbraw/zinc/39/95/90/1028399590.db2.gz XWRFTUBYTAYCFW-JKSUJKDBSA-N 2 2 300.446 3.930 20 0 DHADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000579651861 1028459642 /nfs/dbraw/zinc/45/96/42/1028459642.db2.gz ILSWJAJOJRTPEQ-IINYFYTJSA-N 2 2 322.239 3.851 20 0 DHADLP Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000449259429 1028482337 /nfs/dbraw/zinc/48/23/37/1028482337.db2.gz QWGRQVOGZQQUSF-OIISXLGYSA-N 2 2 315.848 3.777 20 0 DHADLP CC(C)COc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000449304186 1028523180 /nfs/dbraw/zinc/52/31/80/1028523180.db2.gz YRUMZBKLLCZILF-UHFFFAOYSA-N 2 2 316.489 3.828 20 0 DHADLP Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)cc1 ZINC000449331716 1028541666 /nfs/dbraw/zinc/54/16/66/1028541666.db2.gz AOVZBUFDYDXTLH-FVQBIDKESA-N 2 2 315.848 3.846 20 0 DHADLP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CCc4[nH+]c[nH]c4C3)C2)cc1 ZINC000449331722 1028543106 /nfs/dbraw/zinc/54/31/06/1028543106.db2.gz AOVZBUFDYDXTLH-KBMXLJTQSA-N 2 2 315.848 3.846 20 0 DHADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)cc1 ZINC000370056419 1028557202 /nfs/dbraw/zinc/55/72/02/1028557202.db2.gz QTPXVPIEJKJUAU-NRFANRHFSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)cc1 ZINC000370056419 1028557211 /nfs/dbraw/zinc/55/72/11/1028557211.db2.gz QTPXVPIEJKJUAU-NRFANRHFSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)cc1 ZINC000370056419 1028557221 /nfs/dbraw/zinc/55/72/21/1028557221.db2.gz QTPXVPIEJKJUAU-NRFANRHFSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)cc1 ZINC000370056419 1028557228 /nfs/dbraw/zinc/55/72/28/1028557228.db2.gz QTPXVPIEJKJUAU-NRFANRHFSA-N 2 2 321.468 3.570 20 0 DHADLP COC1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCCC1 ZINC000449352654 1028567820 /nfs/dbraw/zinc/56/78/20/1028567820.db2.gz XJYWXPLXRKHGDJ-UHFFFAOYSA-N 2 2 319.836 3.575 20 0 DHADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370171789 1028574689 /nfs/dbraw/zinc/57/46/89/1028574689.db2.gz HSMFWAWGTJARII-HBMCJLEFSA-N 2 2 323.484 3.685 20 0 DHADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370171789 1028574696 /nfs/dbraw/zinc/57/46/96/1028574696.db2.gz HSMFWAWGTJARII-HBMCJLEFSA-N 2 2 323.484 3.685 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)o1 ZINC000370631041 1028625472 /nfs/dbraw/zinc/62/54/72/1028625472.db2.gz ZUHJURNZUYVKOU-WMZOPIPTSA-N 2 2 313.445 3.546 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)o1 ZINC000370631041 1028625478 /nfs/dbraw/zinc/62/54/78/1028625478.db2.gz ZUHJURNZUYVKOU-WMZOPIPTSA-N 2 2 313.445 3.546 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370659489 1028630774 /nfs/dbraw/zinc/63/07/74/1028630774.db2.gz SUXIAXJUTDHFLE-BHIYHBOVSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370659489 1028630780 /nfs/dbraw/zinc/63/07/80/1028630780.db2.gz SUXIAXJUTDHFLE-BHIYHBOVSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@]1(C[NH2+]C2CC(C(F)F)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000779192598 1028671725 /nfs/dbraw/zinc/67/17/25/1028671725.db2.gz FNLHCLKWRPPTTJ-HTWSVDAQSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@]1(C[NH2+]C2CC(C(F)F)C2)CCC[N@H+]1Cc1ccccc1 ZINC000779192598 1028671730 /nfs/dbraw/zinc/67/17/30/1028671730.db2.gz FNLHCLKWRPPTTJ-HTWSVDAQSA-N 2 2 308.416 3.674 20 0 DHADLP c1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c2)nc1 ZINC000566225482 1028691871 /nfs/dbraw/zinc/69/18/71/1028691871.db2.gz QBQOCOYJSHHLMS-NHCUHLMSSA-N 2 2 321.468 3.855 20 0 DHADLP c1ccc(-c2cccc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c2)nc1 ZINC000566225482 1028691878 /nfs/dbraw/zinc/69/18/78/1028691878.db2.gz QBQOCOYJSHHLMS-NHCUHLMSSA-N 2 2 321.468 3.855 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC(c2ccccc2)c2ccccc2)n1C ZINC000566499145 1028735283 /nfs/dbraw/zinc/73/52/83/1028735283.db2.gz NJURBOWTPYYQFJ-UHFFFAOYSA-N 2 2 305.425 3.650 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)c2nccn21 ZINC000449574263 1028816877 /nfs/dbraw/zinc/81/68/77/1028816877.db2.gz UFARZYQBCISITO-VQIMIIECSA-N 2 2 324.472 3.665 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)c2nccn21 ZINC000449574262 1028818512 /nfs/dbraw/zinc/81/85/12/1028818512.db2.gz UFARZYQBCISITO-QFBILLFUSA-N 2 2 324.472 3.665 20 0 DHADLP Cc1cncc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000372926066 1028923169 /nfs/dbraw/zinc/92/31/69/1028923169.db2.gz SDEOHSBACXSQKE-RXVVDRJESA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cncc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000372926066 1028923182 /nfs/dbraw/zinc/92/31/82/1028923182.db2.gz SDEOHSBACXSQKE-RXVVDRJESA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cncc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000372926066 1028923194 /nfs/dbraw/zinc/92/31/94/1028923194.db2.gz SDEOHSBACXSQKE-RXVVDRJESA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cncc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000372926066 1028923203 /nfs/dbraw/zinc/92/32/03/1028923203.db2.gz SDEOHSBACXSQKE-RXVVDRJESA-N 2 2 323.484 3.732 20 0 DHADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC(F)(F)C1 ZINC000628221673 1028947948 /nfs/dbraw/zinc/94/79/48/1028947948.db2.gz QDIOWCCOSYJYEA-CZUORRHYSA-N 2 2 319.399 3.727 20 0 DHADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC(F)(F)C1 ZINC000628221674 1028948319 /nfs/dbraw/zinc/94/83/19/1028948319.db2.gz QDIOWCCOSYJYEA-XJKSGUPXSA-N 2 2 319.399 3.727 20 0 DHADLP C[C@]1(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCS1 ZINC000628262790 1028975204 /nfs/dbraw/zinc/97/52/04/1028975204.db2.gz ZBENFJHJXZTIGP-MAUKXSAKSA-N 2 2 319.518 3.685 20 0 DHADLP C[C@]1(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCS1 ZINC000628262790 1028975220 /nfs/dbraw/zinc/97/52/20/1028975220.db2.gz ZBENFJHJXZTIGP-MAUKXSAKSA-N 2 2 319.518 3.685 20 0 DHADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)c1C ZINC000628289830 1028994696 /nfs/dbraw/zinc/99/46/96/1028994696.db2.gz QAEYTNWSOYMMAE-KRWDZBQOSA-N 2 2 312.461 3.774 20 0 DHADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)cc2)c1C ZINC000628289830 1028994711 /nfs/dbraw/zinc/99/47/11/1028994711.db2.gz QAEYTNWSOYMMAE-KRWDZBQOSA-N 2 2 312.461 3.774 20 0 DHADLP CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000568271566 1029035007 /nfs/dbraw/zinc/03/50/07/1029035007.db2.gz FPCCHQXLRVLXEL-UHFFFAOYSA-N 2 2 315.461 3.539 20 0 DHADLP CCC[C@H](C)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373486606 1029059569 /nfs/dbraw/zinc/05/95/69/1029059569.db2.gz SOBCZGKAMBWIPA-GRTSSRMGSA-N 2 2 306.416 3.818 20 0 DHADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373524106 1029071908 /nfs/dbraw/zinc/07/19/08/1029071908.db2.gz RDJNMCKQMDDDMW-HTWSVDAQSA-N 2 2 318.436 3.646 20 0 DHADLP CCc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000411497841 1029144368 /nfs/dbraw/zinc/14/43/68/1029144368.db2.gz AMMZQVDCNLPKQU-UHFFFAOYSA-N 2 2 312.461 3.533 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccncc2)cc1F)Cn1cc[nH+]c1 ZINC000120362202 1029195366 /nfs/dbraw/zinc/19/53/66/1029195366.db2.gz MNWNXJWNQJUFRF-HNNXBMFYSA-N 2 2 324.403 3.510 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817924197 1029275427 /nfs/dbraw/zinc/27/54/27/1029275427.db2.gz GGYMOHZDQVTMCD-TYCQWZJGSA-N 2 2 324.468 3.507 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cn1 ZINC000779395482 1029305636 /nfs/dbraw/zinc/30/56/36/1029305636.db2.gz QXQNLHYRLQCINQ-IBGZPJMESA-N 2 2 324.403 3.893 20 0 DHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629548273 1029365793 /nfs/dbraw/zinc/36/57/93/1029365793.db2.gz NEWPILFOEVTYDM-UAGQMJEPSA-N 2 2 300.471 3.680 20 0 DHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC[C@H]1C(F)(F)F ZINC000629564708 1029373343 /nfs/dbraw/zinc/37/33/43/1029373343.db2.gz UCPOZVVXIBNHBP-CHWSQXEVSA-N 2 2 322.321 3.583 20 0 DHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@H]1C(F)(F)F ZINC000629564708 1029373350 /nfs/dbraw/zinc/37/33/50/1029373350.db2.gz UCPOZVVXIBNHBP-CHWSQXEVSA-N 2 2 322.321 3.583 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccsc3C(F)(F)F)CC[C@H]21 ZINC000529537996 1029399953 /nfs/dbraw/zinc/39/99/53/1029399953.db2.gz XCPSPZWQXVXVJX-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccsc3C(F)(F)F)CC[C@H]21 ZINC000529537996 1029399968 /nfs/dbraw/zinc/39/99/68/1029399968.db2.gz XCPSPZWQXVXVJX-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccsc3C(F)(F)F)CC[C@H]21 ZINC000529537996 1029399984 /nfs/dbraw/zinc/39/99/84/1029399984.db2.gz XCPSPZWQXVXVJX-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccsc3C(F)(F)F)CC[C@H]21 ZINC000529537996 1029399995 /nfs/dbraw/zinc/39/99/95/1029399995.db2.gz XCPSPZWQXVXVJX-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[C@H](CC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)[NH+]1CCCCC1 ZINC000570651091 1029399735 /nfs/dbraw/zinc/39/97/35/1029399735.db2.gz YKKUPQUODOZVFM-AEFFLSMTSA-N 2 2 318.509 3.885 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3C(F)(F)F)CC[C@H]21 ZINC000529537995 1029400816 /nfs/dbraw/zinc/40/08/16/1029400816.db2.gz XCPSPZWQXVXVJX-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3C(F)(F)F)CC[C@H]21 ZINC000529537995 1029400820 /nfs/dbraw/zinc/40/08/20/1029400820.db2.gz XCPSPZWQXVXVJX-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccsc3C(F)(F)F)CC[C@H]21 ZINC000529537995 1029400829 /nfs/dbraw/zinc/40/08/29/1029400829.db2.gz XCPSPZWQXVXVJX-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccsc3C(F)(F)F)CC[C@H]21 ZINC000529537995 1029400832 /nfs/dbraw/zinc/40/08/32/1029400832.db2.gz XCPSPZWQXVXVJX-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000629654261 1029406468 /nfs/dbraw/zinc/40/64/68/1029406468.db2.gz GZEJEVDIACVZEQ-STQMWFEESA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000629654261 1029406473 /nfs/dbraw/zinc/40/64/73/1029406473.db2.gz GZEJEVDIACVZEQ-STQMWFEESA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000629654258 1029407140 /nfs/dbraw/zinc/40/71/40/1029407140.db2.gz GZEJEVDIACVZEQ-CHWSQXEVSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000629654258 1029407144 /nfs/dbraw/zinc/40/71/44/1029407144.db2.gz GZEJEVDIACVZEQ-CHWSQXEVSA-N 2 2 320.786 3.608 20 0 DHADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529639516 1029473867 /nfs/dbraw/zinc/47/38/67/1029473867.db2.gz GNAPXJPKCWVBMY-LPHOPBHVSA-N 2 2 316.489 3.710 20 0 DHADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529639516 1029473876 /nfs/dbraw/zinc/47/38/76/1029473876.db2.gz GNAPXJPKCWVBMY-LPHOPBHVSA-N 2 2 316.489 3.710 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC2CC2)C[C@@H]1C ZINC000450466903 1029496219 /nfs/dbraw/zinc/49/62/19/1029496219.db2.gz KDBQZYJRSQBRIJ-RDJZCZTQSA-N 2 2 302.462 3.532 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC2CC2)C[C@@H]1C ZINC000450466903 1029496222 /nfs/dbraw/zinc/49/62/22/1029496222.db2.gz KDBQZYJRSQBRIJ-RDJZCZTQSA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OC2CC2)C[C@@H]1C ZINC000450466903 1029496228 /nfs/dbraw/zinc/49/62/28/1029496228.db2.gz KDBQZYJRSQBRIJ-RDJZCZTQSA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OC2CC2)C[C@@H]1C ZINC000450466903 1029496232 /nfs/dbraw/zinc/49/62/32/1029496232.db2.gz KDBQZYJRSQBRIJ-RDJZCZTQSA-N 2 2 302.462 3.532 20 0 DHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c(C)cccc1Cl ZINC000450468041 1029498807 /nfs/dbraw/zinc/49/88/07/1029498807.db2.gz FODAQVKQCCLFCB-OAHLLOKOSA-N 2 2 303.837 3.818 20 0 DHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c(C)cccc1Cl ZINC000450468041 1029498817 /nfs/dbraw/zinc/49/88/17/1029498817.db2.gz FODAQVKQCCLFCB-OAHLLOKOSA-N 2 2 303.837 3.818 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450631942 1029589243 /nfs/dbraw/zinc/58/92/43/1029589243.db2.gz JCTNAIYJRLCXPO-HIZXUYSRSA-N 2 2 309.457 3.778 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450631942 1029589248 /nfs/dbraw/zinc/58/92/48/1029589248.db2.gz JCTNAIYJRLCXPO-HIZXUYSRSA-N 2 2 309.457 3.778 20 0 DHADLP Clc1cccc2c1C[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001170931880 1029593351 /nfs/dbraw/zinc/59/33/51/1029593351.db2.gz BKKHWRZNXRYGKQ-HUUCEWRRSA-N 2 2 315.848 3.734 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000450711125 1029623866 /nfs/dbraw/zinc/62/38/66/1029623866.db2.gz OSBCPSTWEAQWKV-ZIAGYGMSSA-N 2 2 305.372 3.958 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000450711123 1029624567 /nfs/dbraw/zinc/62/45/67/1029624567.db2.gz OSBCPSTWEAQWKV-KGLIPLIRSA-N 2 2 305.372 3.958 20 0 DHADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)CC12CCC(CC1)C2 ZINC000450791580 1029658451 /nfs/dbraw/zinc/65/84/51/1029658451.db2.gz MNNPXLCAJTVVPI-RTRUNKLESA-N 2 2 313.489 3.587 20 0 DHADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)CC12CCC(CC1)C2 ZINC000450791580 1029658475 /nfs/dbraw/zinc/65/84/75/1029658475.db2.gz MNNPXLCAJTVVPI-RTRUNKLESA-N 2 2 313.489 3.587 20 0 DHADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)CC12CCC(CC1)C2 ZINC000450791580 1029658487 /nfs/dbraw/zinc/65/84/87/1029658487.db2.gz MNNPXLCAJTVVPI-RTRUNKLESA-N 2 2 313.489 3.587 20 0 DHADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)CC12CCC(CC1)C2 ZINC000450791580 1029658502 /nfs/dbraw/zinc/65/85/02/1029658502.db2.gz MNNPXLCAJTVVPI-RTRUNKLESA-N 2 2 313.489 3.587 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2cccs2)Cc2ccccc2)CC1 ZINC000290544461 1030098503 /nfs/dbraw/zinc/09/85/03/1030098503.db2.gz RKXOJBQEGCTCNQ-UHFFFAOYSA-N 2 2 300.471 3.845 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2cccs2)Cc2ccccc2)CC1 ZINC000290544461 1030098518 /nfs/dbraw/zinc/09/85/18/1030098518.db2.gz RKXOJBQEGCTCNQ-UHFFFAOYSA-N 2 2 300.471 3.845 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)C[NH2+]1 ZINC001246203733 1030113537 /nfs/dbraw/zinc/11/35/37/1030113537.db2.gz YGOCKVGTWDGHPH-IUODEOHRSA-N 2 2 323.278 3.558 20 0 DHADLP C[C@@H](NCCC[N@H+](C)C1CCCCC1)c1cn2c([nH+]1)CCCC2 ZINC000924599309 1030133884 /nfs/dbraw/zinc/13/38/84/1030133884.db2.gz HFGSIVSHCKKYBN-MRXNPFEDSA-N 2 2 318.509 3.525 20 0 DHADLP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1cn2c([nH+]1)CCCC2 ZINC000924599309 1030133890 /nfs/dbraw/zinc/13/38/90/1030133890.db2.gz HFGSIVSHCKKYBN-MRXNPFEDSA-N 2 2 318.509 3.525 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656167 1030140949 /nfs/dbraw/zinc/14/09/49/1030140949.db2.gz ZIQUSZDPLNRSMY-WMLDXEAASA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656167 1030140951 /nfs/dbraw/zinc/14/09/51/1030140951.db2.gz ZIQUSZDPLNRSMY-WMLDXEAASA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656167 1030140953 /nfs/dbraw/zinc/14/09/53/1030140953.db2.gz ZIQUSZDPLNRSMY-WMLDXEAASA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656167 1030140956 /nfs/dbraw/zinc/14/09/56/1030140956.db2.gz ZIQUSZDPLNRSMY-WMLDXEAASA-N 2 2 315.486 3.582 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000924651626 1030152297 /nfs/dbraw/zinc/15/22/97/1030152297.db2.gz ZKEOPQVGLCXAFG-LAUBAEHRSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000924651626 1030152305 /nfs/dbraw/zinc/15/23/05/1030152305.db2.gz ZKEOPQVGLCXAFG-LAUBAEHRSA-N 2 2 321.468 3.553 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccn1 ZINC000866244167 1030176435 /nfs/dbraw/zinc/17/64/35/1030176435.db2.gz LLEQRKDKSZBTBO-LJQANCHMSA-N 2 2 306.413 3.754 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccnn1C1CCC1 ZINC000924771550 1030186020 /nfs/dbraw/zinc/18/60/20/1030186020.db2.gz YNPHGKFHIBKWFV-HNNXBMFYSA-N 2 2 321.428 3.645 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccnn1C1CCC1 ZINC000924807537 1030191882 /nfs/dbraw/zinc/19/18/82/1030191882.db2.gz MERXXZLFJKPPBB-OAHLLOKOSA-N 2 2 321.428 3.645 20 0 DHADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000924948874 1030234982 /nfs/dbraw/zinc/23/49/82/1030234982.db2.gz FFZSIHHCKAUFML-KBPBESRZSA-N 2 2 307.388 3.598 20 0 DHADLP C[C@@H](CCc1cncc2ccccc21)[NH2+]CC1([NH+](C)C)CCC1 ZINC000866344436 1030243567 /nfs/dbraw/zinc/24/35/67/1030243567.db2.gz UTQNTCBEUUWISA-INIZCTEOSA-N 2 2 311.473 3.630 20 0 DHADLP CCc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cccnc2)cc1 ZINC000925138126 1030284947 /nfs/dbraw/zinc/28/49/47/1030284947.db2.gz BSYNUCWMDBYILF-DQLDELGASA-N 2 2 323.484 3.806 20 0 DHADLP CCc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccnc2)cc1 ZINC000925138126 1030284964 /nfs/dbraw/zinc/28/49/64/1030284964.db2.gz BSYNUCWMDBYILF-DQLDELGASA-N 2 2 323.484 3.806 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c2cccnc2)cc1 ZINC000925222901 1030311165 /nfs/dbraw/zinc/31/11/65/1030311165.db2.gz UMPREYRZYFNUIA-ACRUOGEOSA-N 2 2 323.484 3.942 20 0 DHADLP C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866478960 1030316681 /nfs/dbraw/zinc/31/66/81/1030316681.db2.gz NIJSDLBTGPBSRR-PBHICJAKSA-N 2 2 301.459 3.809 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)on1 ZINC000925519163 1030384949 /nfs/dbraw/zinc/38/49/49/1030384949.db2.gz SMSMVBRMSNCLCR-ROUUACIJSA-N 2 2 319.493 3.836 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(-c2cccnc2)cc1 ZINC000925528332 1030387102 /nfs/dbraw/zinc/38/71/02/1030387102.db2.gz DNISIVXMVANPPH-KXBFYZLASA-N 2 2 307.441 3.684 20 0 DHADLP CC(C)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246314229 1030474642 /nfs/dbraw/zinc/47/46/42/1030474642.db2.gz DXAUAKOCRNYENE-PKOBYXMFSA-N 2 2 315.505 3.708 20 0 DHADLP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000246314229 1030474658 /nfs/dbraw/zinc/47/46/58/1030474658.db2.gz DXAUAKOCRNYENE-PKOBYXMFSA-N 2 2 315.505 3.708 20 0 DHADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000925791893 1030498376 /nfs/dbraw/zinc/49/83/76/1030498376.db2.gz CWMXQFNAUQVYAO-IAGOWNOFSA-N 2 2 322.880 3.539 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2ccccc2c1 ZINC000925795778 1030500492 /nfs/dbraw/zinc/50/04/92/1030500492.db2.gz PVUWGIFHXFQJMO-UZLBHIALSA-N 2 2 324.468 3.649 20 0 DHADLP C[C@@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1(Cl)Cl ZINC000824758079 1030639512 /nfs/dbraw/zinc/63/95/12/1030639512.db2.gz INQMMNMBXDZSBT-AWEZNQCLSA-N 2 2 310.228 3.546 20 0 DHADLP c1cn(CCCC2CC[NH+](CC3Cc4ccccc4C3)CC2)c[nH+]1 ZINC000558573268 1030654145 /nfs/dbraw/zinc/65/41/45/1030654145.db2.gz WSNYUPOAQGMQQS-UHFFFAOYSA-N 2 2 323.484 3.790 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000247891876 1030706729 /nfs/dbraw/zinc/70/67/29/1030706729.db2.gz FNBBPEYZRUREJP-UZLBHIALSA-N 2 2 309.457 3.884 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000247891876 1030706746 /nfs/dbraw/zinc/70/67/46/1030706746.db2.gz FNBBPEYZRUREJP-UZLBHIALSA-N 2 2 309.457 3.884 20 0 DHADLP Cc1cccc([C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2ccccn2)c1 ZINC000926752535 1030905619 /nfs/dbraw/zinc/90/56/19/1030905619.db2.gz ALQZEIQYHBFWFJ-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1cccc([C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)c2ccccn2)c1 ZINC000926752535 1030905631 /nfs/dbraw/zinc/90/56/31/1030905631.db2.gz ALQZEIQYHBFWFJ-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926755706 1030906795 /nfs/dbraw/zinc/90/67/95/1030906795.db2.gz ZOJKNOAFLFUVEM-HOTGVXAUSA-N 2 2 313.445 3.724 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926755706 1030906814 /nfs/dbraw/zinc/90/68/14/1030906814.db2.gz ZOJKNOAFLFUVEM-HOTGVXAUSA-N 2 2 313.445 3.724 20 0 DHADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000261630736 1031039017 /nfs/dbraw/zinc/03/90/17/1031039017.db2.gz FICZIHSCDLRRTF-INIZCTEOSA-N 2 2 321.877 3.634 20 0 DHADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000261630736 1031039032 /nfs/dbraw/zinc/03/90/32/1031039032.db2.gz FICZIHSCDLRRTF-INIZCTEOSA-N 2 2 321.877 3.634 20 0 DHADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(F)ccc(Cl)c1Cl)CC2 ZINC001143866433 1031039916 /nfs/dbraw/zinc/03/99/16/1031039916.db2.gz CIIARMJDZUGOOR-UHFFFAOYSA-N 2 2 317.235 3.660 20 0 DHADLP C[C@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000261630739 1031041019 /nfs/dbraw/zinc/04/10/19/1031041019.db2.gz FICZIHSCDLRRTF-MRXNPFEDSA-N 2 2 321.877 3.634 20 0 DHADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000261630739 1031041037 /nfs/dbraw/zinc/04/10/37/1031041037.db2.gz FICZIHSCDLRRTF-MRXNPFEDSA-N 2 2 321.877 3.634 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000359593480 1031048275 /nfs/dbraw/zinc/04/82/75/1031048275.db2.gz RYJBNFWGMURCID-WMZOPIPTSA-N 2 2 302.462 3.591 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000359593480 1031048297 /nfs/dbraw/zinc/04/82/97/1031048297.db2.gz RYJBNFWGMURCID-WMZOPIPTSA-N 2 2 302.462 3.591 20 0 DHADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000261783994 1031065728 /nfs/dbraw/zinc/06/57/28/1031065728.db2.gz FRFBHTQUVAAMQS-GXSJLCMTSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000261783994 1031065747 /nfs/dbraw/zinc/06/57/47/1031065747.db2.gz FRFBHTQUVAAMQS-GXSJLCMTSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H](CCC1CCCCC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927111278 1031092784 /nfs/dbraw/zinc/09/27/84/1031092784.db2.gz ZDQRRKCBCXUUEE-APWZRJJASA-N 2 2 308.510 3.578 20 0 DHADLP C[C@H](CCC1CCCCC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927111278 1031092797 /nfs/dbraw/zinc/09/27/97/1031092797.db2.gz ZDQRRKCBCXUUEE-APWZRJJASA-N 2 2 308.510 3.578 20 0 DHADLP C[C@H](CCC1CCCCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927111283 1031095156 /nfs/dbraw/zinc/09/51/56/1031095156.db2.gz ZDQRRKCBCXUUEE-VQIMIIECSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@H](CCC1CCCCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927111283 1031095174 /nfs/dbraw/zinc/09/51/74/1031095174.db2.gz ZDQRRKCBCXUUEE-VQIMIIECSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC=CCC1 ZINC000927122355 1031105931 /nfs/dbraw/zinc/10/59/31/1031105931.db2.gz GNMOEMGYRIYJBB-YLJYHZDGSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC=CCC1 ZINC000927122355 1031105937 /nfs/dbraw/zinc/10/59/37/1031105937.db2.gz GNMOEMGYRIYJBB-YLJYHZDGSA-N 2 2 313.489 3.628 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)F)cc1 ZINC000359940584 1031206182 /nfs/dbraw/zinc/20/61/82/1031206182.db2.gz IDWLPLPACNDXDG-GVDBMIGSSA-N 2 2 324.415 3.956 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OC(F)F)cc1 ZINC000359940584 1031206197 /nfs/dbraw/zinc/20/61/97/1031206197.db2.gz IDWLPLPACNDXDG-GVDBMIGSSA-N 2 2 324.415 3.956 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171133708 1031213226 /nfs/dbraw/zinc/21/32/26/1031213226.db2.gz OKEPUEOBHSBQCB-CQSZACIVSA-N 2 2 315.288 3.782 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@H](C)Cn3cc[nH+]c3)c(C)c2c1 ZINC000360046183 1031252359 /nfs/dbraw/zinc/25/23/59/1031252359.db2.gz OVOJLBLZSRDSKX-OCCSQVGLSA-N 2 2 313.401 3.686 20 0 DHADLP CC[C@H](C[NH2+][C@@H]1CCCOc2cc(C)ccc21)[NH+]1CCCC1 ZINC000360079913 1031265381 /nfs/dbraw/zinc/26/53/81/1031265381.db2.gz VAJDGEVCYXYWHU-SJLPKXTDSA-N 2 2 302.462 3.673 20 0 DHADLP CCc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc(CC)c1O ZINC001144150801 1031286479 /nfs/dbraw/zinc/28/64/79/1031286479.db2.gz KQXMFFULNBFCSG-UHFFFAOYSA-N 2 2 313.445 3.551 20 0 DHADLP C[NH2+]CC[C@H](C)[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001246548800 1031354851 /nfs/dbraw/zinc/35/48/51/1031354851.db2.gz HNBKWXGCIMRCQK-WFASDCNBSA-N 2 2 311.267 3.584 20 0 DHADLP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001246548800 1031354864 /nfs/dbraw/zinc/35/48/64/1031354864.db2.gz HNBKWXGCIMRCQK-WFASDCNBSA-N 2 2 311.267 3.584 20 0 DHADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000872029351 1031414668 /nfs/dbraw/zinc/41/46/68/1031414668.db2.gz WJEKQFZAQPUOFL-SJLPKXTDSA-N 2 2 313.445 3.556 20 0 DHADLP COc1ccc(C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000379638067 1031415747 /nfs/dbraw/zinc/41/57/47/1031415747.db2.gz UFXHJWWQYRSLMZ-UHFFFAOYSA-N 2 2 312.457 3.695 20 0 DHADLP COc1ccc(C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000379638067 1031415755 /nfs/dbraw/zinc/41/57/55/1031415755.db2.gz UFXHJWWQYRSLMZ-UHFFFAOYSA-N 2 2 312.457 3.695 20 0 DHADLP C[C@](Cc1ccccc1)([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC001171156486 1031432641 /nfs/dbraw/zinc/43/26/41/1031432641.db2.gz MTSLZJRGHRWKJW-OAQYLSRUSA-N 2 2 308.469 3.830 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872061316 1031454379 /nfs/dbraw/zinc/45/43/79/1031454379.db2.gz XGPKYPZMPZIFLS-ILXRZTDVSA-N 2 2 320.452 3.835 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000872061316 1031454388 /nfs/dbraw/zinc/45/43/88/1031454388.db2.gz XGPKYPZMPZIFLS-ILXRZTDVSA-N 2 2 320.452 3.835 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000881 1031487327 /nfs/dbraw/zinc/48/73/27/1031487327.db2.gz VESBFSSFHKIANZ-YLJYHZDGSA-N 2 2 316.489 3.999 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000881 1031487341 /nfs/dbraw/zinc/48/73/41/1031487341.db2.gz VESBFSSFHKIANZ-YLJYHZDGSA-N 2 2 316.489 3.999 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000872107461 1031497861 /nfs/dbraw/zinc/49/78/61/1031497861.db2.gz MRZLKPPKEJMOOP-HBFSDRIKSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@H]1C=CCC1 ZINC000872107461 1031497866 /nfs/dbraw/zinc/49/78/66/1031497866.db2.gz MRZLKPPKEJMOOP-HBFSDRIKSA-N 2 2 313.489 3.628 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccccc3)o2)CC1 ZINC000929777345 1031604227 /nfs/dbraw/zinc/60/42/27/1031604227.db2.gz KVVAJEKCVGTJMR-UHFFFAOYSA-N 2 2 313.445 3.648 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccccc3)o2)CC1 ZINC000929777345 1031604230 /nfs/dbraw/zinc/60/42/30/1031604230.db2.gz KVVAJEKCVGTJMR-UHFFFAOYSA-N 2 2 313.445 3.648 20 0 DHADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000360985321 1031658288 /nfs/dbraw/zinc/65/82/88/1031658288.db2.gz UUJPPUOMRNOZNF-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000360985321 1031658293 /nfs/dbraw/zinc/65/82/93/1031658293.db2.gz UUJPPUOMRNOZNF-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000360985321 1031658297 /nfs/dbraw/zinc/65/82/97/1031658297.db2.gz UUJPPUOMRNOZNF-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000360985321 1031658299 /nfs/dbraw/zinc/65/82/99/1031658299.db2.gz UUJPPUOMRNOZNF-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000361104100 1031728465 /nfs/dbraw/zinc/72/84/65/1031728465.db2.gz DKRDCKAQWHZAQA-CQSZACIVSA-N 2 2 315.486 3.898 20 0 DHADLP Cc1[nH]c(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)c(C)[nH+]1 ZINC000930218785 1031740919 /nfs/dbraw/zinc/74/09/19/1031740919.db2.gz BAOIPJMANYYVDJ-FQEVSTJZSA-N 2 2 321.424 3.936 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873231222 1031765202 /nfs/dbraw/zinc/76/52/02/1031765202.db2.gz LFLVKEBVFXEHFA-SFTDATJTSA-N 2 2 322.452 3.736 20 0 DHADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccc(C)cc1 ZINC000361222121 1031792957 /nfs/dbraw/zinc/79/29/57/1031792957.db2.gz XALSSYCZDJXOJR-LJQANCHMSA-N 2 2 318.505 3.925 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000361227634 1031796112 /nfs/dbraw/zinc/79/61/12/1031796112.db2.gz HAEUVAXQJHUNEF-IBGZPJMESA-N 2 2 316.489 3.543 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)(C)C ZINC000361246919 1031813366 /nfs/dbraw/zinc/81/33/66/1031813366.db2.gz TZNJWTGOKSANGD-JQHSSLGASA-N 2 2 303.494 3.706 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)(C)C ZINC000361246919 1031813377 /nfs/dbraw/zinc/81/33/77/1031813377.db2.gz TZNJWTGOKSANGD-JQHSSLGASA-N 2 2 303.494 3.706 20 0 DHADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000846148245 1031882541 /nfs/dbraw/zinc/88/25/41/1031882541.db2.gz PLHYEALDASPIFG-LPHOPBHVSA-N 2 2 301.478 3.777 20 0 DHADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000846148245 1031882556 /nfs/dbraw/zinc/88/25/56/1031882556.db2.gz PLHYEALDASPIFG-LPHOPBHVSA-N 2 2 301.478 3.777 20 0 DHADLP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CC[C@@H](C)C1 ZINC000361629600 1032025015 /nfs/dbraw/zinc/02/50/15/1032025015.db2.gz LGPCBPOCGSDVNI-HUUCEWRRSA-N 2 2 319.474 3.571 20 0 DHADLP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CC[C@@H](C)C1 ZINC000361629600 1032025031 /nfs/dbraw/zinc/02/50/31/1032025031.db2.gz LGPCBPOCGSDVNI-HUUCEWRRSA-N 2 2 319.474 3.571 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000361667061 1032045146 /nfs/dbraw/zinc/04/51/46/1032045146.db2.gz LHZHRDXRJATVPM-HNNXBMFYSA-N 2 2 318.852 3.720 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000361667061 1032045176 /nfs/dbraw/zinc/04/51/76/1032045176.db2.gz LHZHRDXRJATVPM-HNNXBMFYSA-N 2 2 318.852 3.720 20 0 DHADLP C[NH+](C)[C@@]1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCSC1 ZINC000539214159 1033298681 /nfs/dbraw/zinc/29/86/81/1033298681.db2.gz BEQRNEXNLPMMKC-DLBZAZTESA-N 2 2 324.921 3.818 20 0 DHADLP Cc1[nH]c2ccc(Nc3cccc(Cn4cc[nH+]c4)c3)cc2[nH+]1 ZINC001213074120 1033333797 /nfs/dbraw/zinc/33/37/97/1033333797.db2.gz FACGJTPKJSGIBD-UHFFFAOYSA-N 2 2 303.369 3.860 20 0 DHADLP CC(C)(C[NH2+][C@@H]1CCc2c1c(F)ccc2F)C[NH+]1CCCC1 ZINC000477916689 1033371717 /nfs/dbraw/zinc/37/17/17/1033371717.db2.gz LBKVHUDKVSEQJU-MRXNPFEDSA-N 2 2 308.416 3.664 20 0 DHADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000877675025 1033407954 /nfs/dbraw/zinc/40/79/54/1033407954.db2.gz UOKJESHTEJHFDN-UHFFFAOYSA-N 2 2 314.473 3.557 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)s1 ZINC000877703418 1033416948 /nfs/dbraw/zinc/41/69/48/1033416948.db2.gz IHQCMDUIEVQHBY-OAHLLOKOSA-N 2 2 307.507 3.607 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)s1 ZINC000877703418 1033416952 /nfs/dbraw/zinc/41/69/52/1033416952.db2.gz IHQCMDUIEVQHBY-OAHLLOKOSA-N 2 2 307.507 3.607 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000151113295 1033417538 /nfs/dbraw/zinc/41/75/38/1033417538.db2.gz KJHUGQVPFDPTDE-ZDUSSCGKSA-N 2 2 309.360 3.534 20 0 DHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172855019 1033423176 /nfs/dbraw/zinc/42/31/76/1033423176.db2.gz BMITUJFBPNRKOO-ZDUSSCGKSA-N 2 2 321.827 3.944 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001172854663 1033423829 /nfs/dbraw/zinc/42/38/29/1033423829.db2.gz QTLFHTGHVJCROP-AWEZNQCLSA-N 2 2 320.839 3.871 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001172854663 1033423835 /nfs/dbraw/zinc/42/38/35/1033423835.db2.gz QTLFHTGHVJCROP-AWEZNQCLSA-N 2 2 320.839 3.871 20 0 DHADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000877794127 1033453377 /nfs/dbraw/zinc/45/33/77/1033453377.db2.gz HLKUFBXDAVZPKC-UHFFFAOYSA-N 2 2 313.445 3.668 20 0 DHADLP Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212695363 1033491268 /nfs/dbraw/zinc/49/12/68/1033491268.db2.gz BVVOTQDGSXRHDM-UHFFFAOYSA-N 2 2 321.359 3.770 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000339023955 1033587120 /nfs/dbraw/zinc/58/71/20/1033587120.db2.gz VJNGXBIHLVXHKV-YLJYHZDGSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000339023955 1033587129 /nfs/dbraw/zinc/58/71/29/1033587129.db2.gz VJNGXBIHLVXHKV-YLJYHZDGSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000339023955 1033587144 /nfs/dbraw/zinc/58/71/44/1033587144.db2.gz VJNGXBIHLVXHKV-YLJYHZDGSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000339023955 1033587152 /nfs/dbraw/zinc/58/71/52/1033587152.db2.gz VJNGXBIHLVXHKV-YLJYHZDGSA-N 2 2 315.505 3.684 20 0 DHADLP c1cn2cc(C[NH2+]C3CCC(Oc4ccccc4)CC3)ccc2[nH+]1 ZINC001173202759 1033592690 /nfs/dbraw/zinc/59/26/90/1033592690.db2.gz WZSRBUFHMOUCEZ-UHFFFAOYSA-N 2 2 321.424 3.814 20 0 DHADLP CCc1ccc(C[C@@H](C)N(c2cccc[nH+]2)C2CC[NH2+]CC2)cc1 ZINC001173248958 1033622582 /nfs/dbraw/zinc/62/25/82/1033622582.db2.gz WFTCRRCDNXTVPE-QGZVFWFLSA-N 2 2 323.484 3.834 20 0 DHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235294 1033633100 /nfs/dbraw/zinc/63/31/00/1033633100.db2.gz NDNTTZQOCVSTIJ-XWTMOSNGSA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235294 1033633102 /nfs/dbraw/zinc/63/31/02/1033633102.db2.gz NDNTTZQOCVSTIJ-XWTMOSNGSA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235294 1033633112 /nfs/dbraw/zinc/63/31/12/1033633112.db2.gz NDNTTZQOCVSTIJ-XWTMOSNGSA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235294 1033633120 /nfs/dbraw/zinc/63/31/20/1033633120.db2.gz NDNTTZQOCVSTIJ-XWTMOSNGSA-N 2 2 322.537 3.917 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CC[C@@H](c4ccccc4)O3)C2)[nH]1 ZINC000878252614 1033638121 /nfs/dbraw/zinc/63/81/21/1033638121.db2.gz PNYUFVDOAWPFJY-KSZLIROESA-N 2 2 311.429 3.509 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CC[C@@H](c4ccccc4)O3)C2)[nH]1 ZINC000878252614 1033638124 /nfs/dbraw/zinc/63/81/24/1033638124.db2.gz PNYUFVDOAWPFJY-KSZLIROESA-N 2 2 311.429 3.509 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878318989 1033657645 /nfs/dbraw/zinc/65/76/45/1033657645.db2.gz GRUBUWWTLITCNR-RTBURBONSA-N 2 2 313.445 3.515 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878318989 1033657651 /nfs/dbraw/zinc/65/76/51/1033657651.db2.gz GRUBUWWTLITCNR-RTBURBONSA-N 2 2 313.445 3.515 20 0 DHADLP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001173278357 1033668856 /nfs/dbraw/zinc/66/88/56/1033668856.db2.gz LVXWFOGRZUNLPJ-WCXIOVBPSA-N 2 2 319.518 3.618 20 0 DHADLP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001173278357 1033668860 /nfs/dbraw/zinc/66/88/60/1033668860.db2.gz LVXWFOGRZUNLPJ-WCXIOVBPSA-N 2 2 319.518 3.618 20 0 DHADLP CC[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)C1 ZINC001173278357 1033668871 /nfs/dbraw/zinc/66/88/71/1033668871.db2.gz LVXWFOGRZUNLPJ-WCXIOVBPSA-N 2 2 319.518 3.618 20 0 DHADLP CC[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)C1 ZINC001173278357 1033668878 /nfs/dbraw/zinc/66/88/78/1033668878.db2.gz LVXWFOGRZUNLPJ-WCXIOVBPSA-N 2 2 319.518 3.618 20 0 DHADLP C1C[N@@H+](C2CCOCC2)C[C@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173346157 1033699048 /nfs/dbraw/zinc/69/90/48/1033699048.db2.gz ZNUQBYLVLKNVBS-MSOLQXFVSA-N 2 2 320.521 3.722 20 0 DHADLP C1C[N@H+](C2CCOCC2)C[C@H]1[NH2+][C@@H]1CCCC2(CCCCC2)C1 ZINC001173346157 1033699055 /nfs/dbraw/zinc/69/90/55/1033699055.db2.gz ZNUQBYLVLKNVBS-MSOLQXFVSA-N 2 2 320.521 3.722 20 0 DHADLP C([C@H]1C[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)CCO1)[NH+]1CCCC1 ZINC001173348742 1033704571 /nfs/dbraw/zinc/70/45/71/1033704571.db2.gz LICQBTCYFASIND-MOPGFXCFSA-N 2 2 320.521 3.676 20 0 DHADLP C([C@H]1C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)CCO1)[NH+]1CCCC1 ZINC001173348742 1033704585 /nfs/dbraw/zinc/70/45/85/1033704585.db2.gz LICQBTCYFASIND-MOPGFXCFSA-N 2 2 320.521 3.676 20 0 DHADLP CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(F)cc1 ZINC000667513723 1033811450 /nfs/dbraw/zinc/81/14/50/1033811450.db2.gz JZYLVBSWYCLNMC-UHFFFAOYSA-N 2 2 324.403 3.819 20 0 DHADLP CCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(F)cc1 ZINC000667513723 1033811466 /nfs/dbraw/zinc/81/14/66/1033811466.db2.gz JZYLVBSWYCLNMC-UHFFFAOYSA-N 2 2 324.403 3.819 20 0 DHADLP C[C@H]1C[C@@H](n2c[nH+]c3c2CCCC3)C[N@H+](Cc2ccccc2)C1 ZINC000862430582 1033851797 /nfs/dbraw/zinc/85/17/97/1033851797.db2.gz AWWQHSUMFRFNQR-FUHWJXTLSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@H]1C[C@@H](n2c[nH+]c3c2CCCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000862430582 1033851798 /nfs/dbraw/zinc/85/17/98/1033851798.db2.gz AWWQHSUMFRFNQR-FUHWJXTLSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000554088451 1033960275 /nfs/dbraw/zinc/96/02/75/1033960275.db2.gz KZVGOUUJGLDEDX-DJJJIMSYSA-N 2 2 318.436 3.644 20 0 DHADLP Cc1[nH+]ccn1Cc1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC001174038237 1034091420 /nfs/dbraw/zinc/09/14/20/1034091420.db2.gz KYXQMJMSTNLDMU-UHFFFAOYSA-N 2 2 314.392 3.954 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000176915694 1034119471 /nfs/dbraw/zinc/11/94/71/1034119471.db2.gz KYBAAZSCXGQGJW-PXNSSMCTSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000176915694 1034119478 /nfs/dbraw/zinc/11/94/78/1034119478.db2.gz KYBAAZSCXGQGJW-PXNSSMCTSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000176915694 1034119485 /nfs/dbraw/zinc/11/94/85/1034119485.db2.gz KYBAAZSCXGQGJW-PXNSSMCTSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000176915694 1034119497 /nfs/dbraw/zinc/11/94/97/1034119497.db2.gz KYBAAZSCXGQGJW-PXNSSMCTSA-N 2 2 309.457 3.567 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000480191615 1034128342 /nfs/dbraw/zinc/12/83/42/1034128342.db2.gz GSXJYICTVISNCD-GFCCVEGCSA-N 2 2 318.383 3.808 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000480191615 1034128349 /nfs/dbraw/zinc/12/83/49/1034128349.db2.gz GSXJYICTVISNCD-GFCCVEGCSA-N 2 2 318.383 3.808 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC[N@@H+]1C ZINC000480352940 1034209136 /nfs/dbraw/zinc/20/91/36/1034209136.db2.gz JVVDECDOCUOSBK-STQMWFEESA-N 2 2 320.383 3.797 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC[N@H+]1C ZINC000480352940 1034209142 /nfs/dbraw/zinc/20/91/42/1034209142.db2.gz JVVDECDOCUOSBK-STQMWFEESA-N 2 2 320.383 3.797 20 0 DHADLP COCCC[C@@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000178216831 1034219430 /nfs/dbraw/zinc/21/94/30/1034219430.db2.gz LMGCDHLDJSPHKT-MJGOQNOKSA-N 2 2 304.478 3.537 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178552491 1034246181 /nfs/dbraw/zinc/24/61/81/1034246181.db2.gz BHXDXPIJOINXFL-CVEARBPZSA-N 2 2 321.424 3.776 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000880255542 1034267677 /nfs/dbraw/zinc/26/76/77/1034267677.db2.gz OUSWWBUNKLGHDB-KRWDZBQOSA-N 2 2 301.478 3.873 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC000880286150 1034281211 /nfs/dbraw/zinc/28/12/11/1034281211.db2.gz UFUYKZXKSQIOJD-HNNXBMFYSA-N 2 2 319.399 3.509 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC000880286150 1034281224 /nfs/dbraw/zinc/28/12/24/1034281224.db2.gz UFUYKZXKSQIOJD-HNNXBMFYSA-N 2 2 319.399 3.509 20 0 DHADLP FC(F)(F)c1ccccc1[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000179392525 1034306394 /nfs/dbraw/zinc/30/63/94/1034306394.db2.gz OMZAJSLBMLYRAB-GDBMZVCRSA-N 2 2 323.362 3.828 20 0 DHADLP Cn1c[nH+]c2cc(NC3=CCC[N@H+](Cc4ccccc4)C3)ccc21 ZINC001174396129 1034323737 /nfs/dbraw/zinc/32/37/37/1034323737.db2.gz DFKVRBUCLGIUQE-UHFFFAOYSA-N 2 2 318.424 3.775 20 0 DHADLP Cn1c[nH+]c2cc(NC3=CCC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC001174396129 1034323742 /nfs/dbraw/zinc/32/37/42/1034323742.db2.gz DFKVRBUCLGIUQE-UHFFFAOYSA-N 2 2 318.424 3.775 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128835718 1034539283 /nfs/dbraw/zinc/53/92/83/1034539283.db2.gz ULWNGAVIBDPVFG-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128835718 1034539293 /nfs/dbraw/zinc/53/92/93/1034539293.db2.gz ULWNGAVIBDPVFG-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128835718 1034539300 /nfs/dbraw/zinc/53/93/00/1034539300.db2.gz ULWNGAVIBDPVFG-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128835718 1034539305 /nfs/dbraw/zinc/53/93/05/1034539305.db2.gz ULWNGAVIBDPVFG-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924755378 1034612063 /nfs/dbraw/zinc/61/20/63/1034612063.db2.gz WBWPGXZUGBICEU-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924755378 1034612069 /nfs/dbraw/zinc/61/20/69/1034612069.db2.gz WBWPGXZUGBICEU-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001175156165 1034818043 /nfs/dbraw/zinc/81/80/43/1034818043.db2.gz NPTMFCKARSEIEI-UHFFFAOYSA-N 2 2 316.489 3.844 20 0 DHADLP c1cn2ccc(NC3=CC[N@H+](Cc4ccccc4)CC3)cc2[nH+]1 ZINC001175505393 1035015068 /nfs/dbraw/zinc/01/50/68/1035015068.db2.gz OOJDDLBPCQEBQI-UHFFFAOYSA-N 2 2 304.397 3.536 20 0 DHADLP c1cn2ccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)cc2[nH+]1 ZINC001175505393 1035015076 /nfs/dbraw/zinc/01/50/76/1035015076.db2.gz OOJDDLBPCQEBQI-UHFFFAOYSA-N 2 2 304.397 3.536 20 0 DHADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000482620321 1035147739 /nfs/dbraw/zinc/14/77/39/1035147739.db2.gz ORIZIJQLCSDSMI-NRXGSXMXSA-N 2 2 302.437 3.666 20 0 DHADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000482620321 1035147743 /nfs/dbraw/zinc/14/77/43/1035147743.db2.gz ORIZIJQLCSDSMI-NRXGSXMXSA-N 2 2 302.437 3.666 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001176242793 1035231679 /nfs/dbraw/zinc/23/16/79/1035231679.db2.gz GPKIEZPTXAKIPI-GOSISDBHSA-N 2 2 302.437 3.763 20 0 DHADLP C[NH+](C)Cc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001176291835 1035236609 /nfs/dbraw/zinc/23/66/09/1035236609.db2.gz KOBREUMDGMTXRP-UHFFFAOYSA-N 2 2 306.413 3.737 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cncs1 ZINC000163231513 1035299664 /nfs/dbraw/zinc/29/96/64/1035299664.db2.gz PUJPLCKJYDXMCR-HLLBOEOZSA-N 2 2 315.486 3.847 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cncs1 ZINC000163231513 1035299668 /nfs/dbraw/zinc/29/96/68/1035299668.db2.gz PUJPLCKJYDXMCR-HLLBOEOZSA-N 2 2 315.486 3.847 20 0 DHADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000903903230 1035333708 /nfs/dbraw/zinc/33/37/08/1035333708.db2.gz HHTUIGIOALYJHC-AWEZNQCLSA-N 2 2 302.796 3.502 20 0 DHADLP CO[C@@H](CC(C)C)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176992134 1035341285 /nfs/dbraw/zinc/34/12/85/1035341285.db2.gz YACLUJJBOXXMBZ-IRXDYDNUSA-N 2 2 321.509 3.879 20 0 DHADLP CO[C@@H](CC(C)C)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176992134 1035341286 /nfs/dbraw/zinc/34/12/86/1035341286.db2.gz YACLUJJBOXXMBZ-IRXDYDNUSA-N 2 2 321.509 3.879 20 0 DHADLP Cn1c[nH+]cc1C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC001176977358 1035341867 /nfs/dbraw/zinc/34/18/67/1035341867.db2.gz JUBXUDDZSLYSDP-QGZVFWFLSA-N 2 2 309.457 3.720 20 0 DHADLP CCOc1ccc(Cl)cc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001177200720 1035354253 /nfs/dbraw/zinc/35/42/53/1035354253.db2.gz ZWLLMLNWSHYDON-UHFFFAOYSA-N 2 2 324.896 3.949 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001177548482 1035380583 /nfs/dbraw/zinc/38/05/83/1035380583.db2.gz GLMGOGGOMQLQCY-ROUUACIJSA-N 2 2 318.505 3.726 20 0 DHADLP CC(C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC001177944280 1035402263 /nfs/dbraw/zinc/40/22/63/1035402263.db2.gz YTHSPEPMPRIIQX-HXUWFJFHSA-N 2 2 320.440 3.797 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC001179173806 1035468773 /nfs/dbraw/zinc/46/87/73/1035468773.db2.gz ZTBWCPKEUAXXMU-WRFKIARRSA-N 2 2 320.427 3.975 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c(F)c1 ZINC001179173806 1035468775 /nfs/dbraw/zinc/46/87/75/1035468775.db2.gz ZTBWCPKEUAXXMU-WRFKIARRSA-N 2 2 320.427 3.975 20 0 DHADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(Cl)c3Cl)[C@H]2C1 ZINC001179814944 1035507626 /nfs/dbraw/zinc/50/76/26/1035507626.db2.gz BYMPTILYEBATHN-GMXVVIOVSA-N 2 2 317.235 3.562 20 0 DHADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(Cl)c3Cl)[C@H]2C1 ZINC001179814944 1035507630 /nfs/dbraw/zinc/50/76/30/1035507630.db2.gz BYMPTILYEBATHN-GMXVVIOVSA-N 2 2 317.235 3.562 20 0 DHADLP Cc1cc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc(C)c1O ZINC000190391038 1035612570 /nfs/dbraw/zinc/61/25/70/1035612570.db2.gz RILBOFQIWXJTOP-UHFFFAOYSA-N 2 2 321.424 3.527 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000669847666 1035901174 /nfs/dbraw/zinc/90/11/74/1035901174.db2.gz NMOBSIMTZKBACT-QRVBRYPASA-N 2 2 309.457 3.872 20 0 DHADLP CCCCCCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1OC ZINC000032073155 1036081879 /nfs/dbraw/zinc/08/18/79/1036081879.db2.gz DDUIPIZJCDLTIA-UHFFFAOYSA-N 2 2 320.477 3.577 20 0 DHADLP C[NH+](C)C1CCN(c2ccc(NC3CCCCCC3)[nH+]c2)CC1 ZINC000540626378 1036117851 /nfs/dbraw/zinc/11/78/51/1036117851.db2.gz WLVNSCGUYYVSNX-UHFFFAOYSA-N 2 2 316.493 3.747 20 0 DHADLP CC[C@@H]1CCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540788013 1036155340 /nfs/dbraw/zinc/15/53/40/1036155340.db2.gz RWXODIOTWQNOPH-QAPCUYQASA-N 2 2 316.493 3.603 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)[C@@H]2C1 ZINC000495131808 1036278548 /nfs/dbraw/zinc/27/85/48/1036278548.db2.gz ZMVVBFNQBYIVML-RDTXWAMCSA-N 2 2 314.404 3.612 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)[C@@H]2C1 ZINC000495131808 1036278563 /nfs/dbraw/zinc/27/85/63/1036278563.db2.gz ZMVVBFNQBYIVML-RDTXWAMCSA-N 2 2 314.404 3.612 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccc(F)cc4)o3)[C@@H]2C1 ZINC000495131808 1036278576 /nfs/dbraw/zinc/27/85/76/1036278576.db2.gz ZMVVBFNQBYIVML-RDTXWAMCSA-N 2 2 314.404 3.612 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc(F)cc4)o3)[C@@H]2C1 ZINC000495131808 1036278593 /nfs/dbraw/zinc/27/85/93/1036278593.db2.gz ZMVVBFNQBYIVML-RDTXWAMCSA-N 2 2 314.404 3.612 20 0 DHADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccn(C)n1 ZINC000541732494 1036412547 /nfs/dbraw/zinc/41/25/47/1036412547.db2.gz MULVOICCWNIUEE-KBXCAEBGSA-N 2 2 323.444 3.716 20 0 DHADLP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C[C@@H]1OC ZINC001182918041 1036483641 /nfs/dbraw/zinc/48/36/41/1036483641.db2.gz IESWMGKPUHMINR-KSZLIROESA-N 2 2 308.510 3.577 20 0 DHADLP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C[C@@H]1OC ZINC001182918041 1036483653 /nfs/dbraw/zinc/48/36/53/1036483653.db2.gz IESWMGKPUHMINR-KSZLIROESA-N 2 2 308.510 3.577 20 0 DHADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cscc1Cl ZINC001183065467 1036514882 /nfs/dbraw/zinc/51/48/82/1036514882.db2.gz LRWCEWSIJOLBHT-DOMZBBRYSA-N 2 2 300.899 3.954 20 0 DHADLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cscc1Cl ZINC001183065467 1036514893 /nfs/dbraw/zinc/51/48/93/1036514893.db2.gz LRWCEWSIJOLBHT-DOMZBBRYSA-N 2 2 300.899 3.954 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC001183335532 1036576941 /nfs/dbraw/zinc/57/69/41/1036576941.db2.gz JFVOBRGLQZQFNB-NEWSRXKRSA-N 2 2 318.530 3.772 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC001183335532 1036576975 /nfs/dbraw/zinc/57/69/75/1036576975.db2.gz JFVOBRGLQZQFNB-NEWSRXKRSA-N 2 2 318.530 3.772 20 0 DHADLP C[N@@H+]1C[C@]2(C)C[NH+](CCSc3cccc(Cl)c3)C[C@]2(C)C1 ZINC001196631703 1036581290 /nfs/dbraw/zinc/58/12/90/1036581290.db2.gz HJYYSLXQGAUUTD-CALCHBBNSA-N 2 2 324.921 3.706 20 0 DHADLP C[N@H+]1C[C@]2(C)C[NH+](CCSc3cccc(Cl)c3)C[C@]2(C)C1 ZINC001196631703 1036581303 /nfs/dbraw/zinc/58/13/03/1036581303.db2.gz HJYYSLXQGAUUTD-CALCHBBNSA-N 2 2 324.921 3.706 20 0 DHADLP C[NH+]1C[C@]2(C)C[N@H+](CCSc3cccc(Cl)c3)C[C@]2(C)C1 ZINC001196631703 1036581319 /nfs/dbraw/zinc/58/13/19/1036581319.db2.gz HJYYSLXQGAUUTD-CALCHBBNSA-N 2 2 324.921 3.706 20 0 DHADLP C[NH+]1C[C@]2(C)C[N@@H+](CCSc3cccc(Cl)c3)C[C@]2(C)C1 ZINC001196631703 1036581332 /nfs/dbraw/zinc/58/13/32/1036581332.db2.gz HJYYSLXQGAUUTD-CALCHBBNSA-N 2 2 324.921 3.706 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151686775 1036597940 /nfs/dbraw/zinc/59/79/40/1036597940.db2.gz PJTOBNLFDMQQOH-GJZGRUSLSA-N 2 2 301.434 3.727 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001183527411 1036606098 /nfs/dbraw/zinc/60/60/98/1036606098.db2.gz WDOULJFWGRDNMP-YVWKXTFCSA-N 2 2 313.489 3.962 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001183527411 1036606110 /nfs/dbraw/zinc/60/61/10/1036606110.db2.gz WDOULJFWGRDNMP-YVWKXTFCSA-N 2 2 313.489 3.962 20 0 DHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC001184208257 1036770200 /nfs/dbraw/zinc/77/02/00/1036770200.db2.gz YYFGLRPUMHRNEV-AQNXPRMDSA-N 2 2 302.506 3.964 20 0 DHADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[C@@H]1C ZINC000487957105 1036793018 /nfs/dbraw/zinc/79/30/18/1036793018.db2.gz HMHXGZIUHJYVEC-QFBILLFUSA-N 2 2 313.445 3.509 20 0 DHADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[C@@H]1C ZINC000487957105 1036793040 /nfs/dbraw/zinc/79/30/40/1036793040.db2.gz HMHXGZIUHJYVEC-QFBILLFUSA-N 2 2 313.445 3.509 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205303675 1036900894 /nfs/dbraw/zinc/90/08/94/1036900894.db2.gz JJCWHUHDYDMXSP-JQWIXIFHSA-N 2 2 320.786 3.776 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205303675 1036900904 /nfs/dbraw/zinc/90/09/04/1036900904.db2.gz JJCWHUHDYDMXSP-JQWIXIFHSA-N 2 2 320.786 3.776 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001198790900 1037121735 /nfs/dbraw/zinc/12/17/35/1037121735.db2.gz PIEFPDGBECATHU-OAHLLOKOSA-N 2 2 316.424 3.552 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001198790900 1037121744 /nfs/dbraw/zinc/12/17/44/1037121744.db2.gz PIEFPDGBECATHU-OAHLLOKOSA-N 2 2 316.424 3.552 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001198790897 1037122488 /nfs/dbraw/zinc/12/24/88/1037122488.db2.gz PIEFPDGBECATHU-HNNXBMFYSA-N 2 2 316.424 3.552 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001198790897 1037122499 /nfs/dbraw/zinc/12/24/99/1037122499.db2.gz PIEFPDGBECATHU-HNNXBMFYSA-N 2 2 316.424 3.552 20 0 DHADLP C[C@@H]1CN(c2cc[nH+]c3ccsc32)CC[N@@H+](C2CCC2)C1 ZINC000488776747 1037137780 /nfs/dbraw/zinc/13/77/80/1037137780.db2.gz AJGMOXJDZMBIKD-ZDUSSCGKSA-N 2 2 301.459 3.607 20 0 DHADLP C[C@@H]1CN(c2cc[nH+]c3ccsc32)CC[N@H+](C2CCC2)C1 ZINC000488776747 1037137783 /nfs/dbraw/zinc/13/77/83/1037137783.db2.gz AJGMOXJDZMBIKD-ZDUSSCGKSA-N 2 2 301.459 3.607 20 0 DHADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310395406 1037232249 /nfs/dbraw/zinc/23/22/49/1037232249.db2.gz SLRDTBZTXGNHRD-KRWDZBQOSA-N 2 2 320.440 3.507 20 0 DHADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310395406 1037232267 /nfs/dbraw/zinc/23/22/67/1037232267.db2.gz SLRDTBZTXGNHRD-KRWDZBQOSA-N 2 2 320.440 3.507 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000775953416 1037249729 /nfs/dbraw/zinc/24/97/29/1037249729.db2.gz LCSWCBICEKCIHM-KRWDZBQOSA-N 2 2 305.425 3.841 20 0 DHADLP COCCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000178455329 1037317662 /nfs/dbraw/zinc/31/76/62/1037317662.db2.gz ZZOKAOMTQHNCPJ-ICSRJNTNSA-N 2 2 318.505 3.864 20 0 DHADLP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168456648 1037353551 /nfs/dbraw/zinc/35/35/51/1037353551.db2.gz UQVDQUWMTZZCND-OAHLLOKOSA-N 2 2 309.388 3.732 20 0 DHADLP C[C@H]([NH2+]CCCC1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000347436013 1037484664 /nfs/dbraw/zinc/48/46/64/1037484664.db2.gz VRPIQBNKKHSRNY-INIZCTEOSA-N 2 2 313.445 3.730 20 0 DHADLP CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC1(C)C ZINC000397721551 1037517294 /nfs/dbraw/zinc/51/72/94/1037517294.db2.gz XPPMMOOXCMDYTK-DLBZAZTESA-N 2 2 301.478 3.855 20 0 DHADLP CCCc1csc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000494195808 1037674846 /nfs/dbraw/zinc/67/48/46/1037674846.db2.gz RPYRSEZHJPCIMS-LSDHHAIUSA-N 2 2 321.534 3.838 20 0 DHADLP CCCc1csc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000494195808 1037674879 /nfs/dbraw/zinc/67/48/79/1037674879.db2.gz RPYRSEZHJPCIMS-LSDHHAIUSA-N 2 2 321.534 3.838 20 0 DHADLP CC(C)[NH2+]c1ccc(Nc2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC001201489508 1037712069 /nfs/dbraw/zinc/71/20/69/1037712069.db2.gz QYQNDJLIEVVCKZ-UHFFFAOYSA-N 2 2 313.449 3.714 20 0 DHADLP CC[C@H](C)C[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001201513697 1037732978 /nfs/dbraw/zinc/73/29/78/1037732978.db2.gz ASMVNVXIQNXLRJ-NSHDSACASA-N 2 2 322.250 3.542 20 0 DHADLP c1ccc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccncc2)cc1 ZINC000156246521 1037918135 /nfs/dbraw/zinc/91/81/35/1037918135.db2.gz OQQVDCSVHHXTHT-OAQYLSRUSA-N 2 2 321.468 3.635 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163802566 1038003268 /nfs/dbraw/zinc/00/32/68/1038003268.db2.gz BIIVMZWOVUVIEC-MRXNPFEDSA-N 2 2 313.445 3.503 20 0 DHADLP Cc1cc(C[NH+](C)C)cc(NCc2c[nH+]c3c(C)cccn23)c1 ZINC000156489786 1038003991 /nfs/dbraw/zinc/00/39/91/1038003991.db2.gz ROXWAUPTQIRXOH-UHFFFAOYSA-N 2 2 308.429 3.625 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cc(-c3ccccc3)cs1)CC2 ZINC000494409113 1038088675 /nfs/dbraw/zinc/08/86/75/1038088675.db2.gz AXTSIPWSJLMKBI-MRXNPFEDSA-N 2 2 309.438 3.716 20 0 DHADLP Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000571447744 1038141119 /nfs/dbraw/zinc/14/11/19/1038141119.db2.gz HTFYACVSJVQAQL-GOSISDBHSA-N 2 2 319.452 3.961 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(Br)cc1F ZINC000127054529 1038145558 /nfs/dbraw/zinc/14/55/58/1038145558.db2.gz SVGDKEYRLGLHOL-WDEREUQCSA-N 2 2 317.246 3.579 20 0 DHADLP c1cc2c(nc[nH+]c2Nc2ccc(CC[NH+]3CCCCC3)cc2)[nH]1 ZINC000588897754 1038392164 /nfs/dbraw/zinc/39/21/64/1038392164.db2.gz HWWZEFNYOMDTNX-UHFFFAOYSA-N 2 2 321.428 3.730 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000572826388 1038504952 /nfs/dbraw/zinc/50/49/52/1038504952.db2.gz OMBAUGSEKIUKSX-HNNXBMFYSA-N 2 2 323.550 3.898 20 0 DHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000572826388 1038504957 /nfs/dbraw/zinc/50/49/57/1038504957.db2.gz OMBAUGSEKIUKSX-HNNXBMFYSA-N 2 2 323.550 3.898 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393191 1038931170 /nfs/dbraw/zinc/93/11/70/1038931170.db2.gz UNSXVEQEYPBFSR-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393191 1038931182 /nfs/dbraw/zinc/93/11/82/1038931182.db2.gz UNSXVEQEYPBFSR-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393191 1038931192 /nfs/dbraw/zinc/93/11/92/1038931192.db2.gz UNSXVEQEYPBFSR-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393191 1038931205 /nfs/dbraw/zinc/93/12/05/1038931205.db2.gz UNSXVEQEYPBFSR-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP Fc1ccc(F)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000058518921 1039238362 /nfs/dbraw/zinc/23/83/62/1039238362.db2.gz NAJHIHGKZCVASU-UHFFFAOYSA-N 2 2 316.395 3.719 20 0 DHADLP CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000593654203 1039581368 /nfs/dbraw/zinc/58/13/68/1039581368.db2.gz TYPIATGMFVOIIK-HUUCEWRRSA-N 2 2 307.488 3.698 20 0 DHADLP COc1ccc(C)[nH+]c1NCc1[nH+]c(C(C)C)n2ccccc12 ZINC000574403419 1039635348 /nfs/dbraw/zinc/63/53/48/1039635348.db2.gz CAZUOIWGYOHJLB-UHFFFAOYSA-N 2 2 310.401 3.782 20 0 DHADLP Cc1cnccc1CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000574914268 1040058031 /nfs/dbraw/zinc/05/80/31/1040058031.db2.gz GGCCHBNNLXDRKA-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP Cc1cnccc1CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000574914268 1040058045 /nfs/dbraw/zinc/05/80/45/1040058045.db2.gz GGCCHBNNLXDRKA-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC[N@@H+]1C ZINC000608061398 1040356946 /nfs/dbraw/zinc/35/69/46/1040356946.db2.gz SWMVPOKMTVTYQI-QWHCGFSZSA-N 2 2 320.383 3.797 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC[N@H+]1C ZINC000608061398 1040356959 /nfs/dbraw/zinc/35/69/59/1040356959.db2.gz SWMVPOKMTVTYQI-QWHCGFSZSA-N 2 2 320.383 3.797 20 0 DHADLP Cc1cccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608071856 1040363457 /nfs/dbraw/zinc/36/34/57/1040363457.db2.gz KLCTWGCRSMOEST-IBGZPJMESA-N 2 2 305.425 3.802 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000072859121 191242282 /nfs/dbraw/zinc/24/22/82/191242282.db2.gz XBQIJDURQKTZBP-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000072859121 191242284 /nfs/dbraw/zinc/24/22/84/191242284.db2.gz XBQIJDURQKTZBP-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000072859121 191242287 /nfs/dbraw/zinc/24/22/87/191242287.db2.gz XBQIJDURQKTZBP-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000072859121 191242289 /nfs/dbraw/zinc/24/22/89/191242289.db2.gz XBQIJDURQKTZBP-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC)c(OC)c2)C1 ZINC000081570138 192294035 /nfs/dbraw/zinc/29/40/35/192294035.db2.gz OIJZGSASZOBNEN-INIZCTEOSA-N 2 2 322.518 3.581 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(SC)c(OC)c2)C1 ZINC000081570138 192294039 /nfs/dbraw/zinc/29/40/39/192294039.db2.gz OIJZGSASZOBNEN-INIZCTEOSA-N 2 2 322.518 3.581 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000081570138 192294041 /nfs/dbraw/zinc/29/40/41/192294041.db2.gz OIJZGSASZOBNEN-INIZCTEOSA-N 2 2 322.518 3.581 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000081570138 192294044 /nfs/dbraw/zinc/29/40/44/192294044.db2.gz OIJZGSASZOBNEN-INIZCTEOSA-N 2 2 322.518 3.581 20 0 DHADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093188071 193211712 /nfs/dbraw/zinc/21/17/12/193211712.db2.gz WMWZSIIJXYRERS-QUCCMNQESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093188071 193211714 /nfs/dbraw/zinc/21/17/14/193211714.db2.gz WMWZSIIJXYRERS-QUCCMNQESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccnc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093188071 193211715 /nfs/dbraw/zinc/21/17/15/193211715.db2.gz WMWZSIIJXYRERS-QUCCMNQESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccnc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093188071 193211717 /nfs/dbraw/zinc/21/17/17/193211717.db2.gz WMWZSIIJXYRERS-QUCCMNQESA-N 2 2 323.484 3.875 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1nccs1 ZINC000093403599 193244221 /nfs/dbraw/zinc/24/42/21/193244221.db2.gz FOWPXGZLEFWEKL-UONOGXRCSA-N 2 2 321.515 3.767 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1nccs1 ZINC000093403599 193244223 /nfs/dbraw/zinc/24/42/23/193244223.db2.gz FOWPXGZLEFWEKL-UONOGXRCSA-N 2 2 321.515 3.767 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000020553268 182231036 /nfs/dbraw/zinc/23/10/36/182231036.db2.gz DVOIIAIFNCAQGE-UHFFFAOYSA-N 2 2 301.261 3.957 20 0 DHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1 ZINC000272304500 130019078 /nfs/dbraw/zinc/01/90/78/130019078.db2.gz SBMGANHQSLWGHZ-INIZCTEOSA-N 2 2 324.472 3.785 20 0 DHADLP Cc1cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)ccc1F ZINC000272678047 130052739 /nfs/dbraw/zinc/05/27/39/130052739.db2.gz MSBKIFORNQAHHG-UHFFFAOYSA-N 2 2 318.358 3.641 20 0 DHADLP C[C@H]1[C@@H]([NH2+]Cc2ccsc2)CCC[N@@H+]1Cc1ccccc1 ZINC000340180955 131008005 /nfs/dbraw/zinc/00/80/05/131008005.db2.gz NKMYTXJFCLJDBR-YJBOKZPZSA-N 2 2 300.471 3.891 20 0 DHADLP C[C@H]1[C@@H]([NH2+]Cc2ccsc2)CCC[N@H+]1Cc1ccccc1 ZINC000340180955 131008006 /nfs/dbraw/zinc/00/80/06/131008006.db2.gz NKMYTXJFCLJDBR-YJBOKZPZSA-N 2 2 300.471 3.891 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)no1 ZINC000284146916 131053083 /nfs/dbraw/zinc/05/30/83/131053083.db2.gz PASLHESZCIZADC-HNNXBMFYSA-N 2 2 301.434 3.674 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)no1 ZINC000284146916 131053085 /nfs/dbraw/zinc/05/30/85/131053085.db2.gz PASLHESZCIZADC-HNNXBMFYSA-N 2 2 301.434 3.674 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C[C@@H]1n1cc[nH+]c1 ZINC000285129151 131141733 /nfs/dbraw/zinc/14/17/33/131141733.db2.gz SHECGDAPMSKUCT-QAPCUYQASA-N 2 2 322.412 3.621 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@@H]1n1cc[nH+]c1 ZINC000285129151 131141734 /nfs/dbraw/zinc/14/17/34/131141734.db2.gz SHECGDAPMSKUCT-QAPCUYQASA-N 2 2 322.412 3.621 20 0 DHADLP c1c[nH]c([C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CCCCC2)n1 ZINC000285749001 131198449 /nfs/dbraw/zinc/19/84/49/131198449.db2.gz RMTGYDCNWFSXOR-SFHVURJKSA-N 2 2 323.444 3.511 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000340230290 131238442 /nfs/dbraw/zinc/23/84/42/131238442.db2.gz JVPKLZVXXDHPBK-SFHVURJKSA-N 2 2 322.537 3.968 20 0 DHADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287458005 131281245 /nfs/dbraw/zinc/28/12/45/131281245.db2.gz IOOPSORDXMCWGT-UHFFFAOYSA-N 2 2 320.481 3.530 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000288952860 131347407 /nfs/dbraw/zinc/34/74/07/131347407.db2.gz AHQMUVIPGAUQAY-HXUWFJFHSA-N 2 2 310.441 3.568 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000288952860 131347408 /nfs/dbraw/zinc/34/74/08/131347408.db2.gz AHQMUVIPGAUQAY-HXUWFJFHSA-N 2 2 310.441 3.568 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000289157813 131362570 /nfs/dbraw/zinc/36/25/70/131362570.db2.gz QTMIFUVGIZUZLD-UHFFFAOYSA-N 2 2 305.425 3.862 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000289157813 131362571 /nfs/dbraw/zinc/36/25/71/131362571.db2.gz QTMIFUVGIZUZLD-UHFFFAOYSA-N 2 2 305.425 3.862 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000289360915 131377974 /nfs/dbraw/zinc/37/79/74/131377974.db2.gz ZESMEADPOPOKBM-KSSFIOAISA-N 2 2 308.429 3.729 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000289516528 131392402 /nfs/dbraw/zinc/39/24/02/131392402.db2.gz FRIWQXXZPHKZEA-UHFFFAOYSA-N 2 2 303.409 3.664 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000289516528 131392404 /nfs/dbraw/zinc/39/24/04/131392404.db2.gz FRIWQXXZPHKZEA-UHFFFAOYSA-N 2 2 303.409 3.664 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000289578185 131398165 /nfs/dbraw/zinc/39/81/65/131398165.db2.gz HSZKEAWHNBMIGJ-WOJBJXKFSA-N 2 2 310.441 3.833 20 0 DHADLP C[C@H](C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1)C[NH+](C)C ZINC000293375190 131731397 /nfs/dbraw/zinc/73/13/97/131731397.db2.gz IBDZMAMUTHPDGM-CHWSQXEVSA-N 2 2 321.465 3.798 20 0 DHADLP Cc1cc([NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1N(C)C ZINC000297577089 132023133 /nfs/dbraw/zinc/02/31/33/132023133.db2.gz DDXYYBKPUWTBDN-UHFFFAOYSA-N 2 2 310.445 3.537 20 0 DHADLP Cc1cc(NC2CCN(c3cc[nH+]cc3)CC2)ccc1[NH+](C)C ZINC000297577089 132023135 /nfs/dbraw/zinc/02/31/35/132023135.db2.gz DDXYYBKPUWTBDN-UHFFFAOYSA-N 2 2 310.445 3.537 20 0 DHADLP C[C@@H]([NH2+]C1(CN[C@H]2CCn3cc[nH+]c32)CCCC1)c1ccccc1 ZINC000297769614 132033565 /nfs/dbraw/zinc/03/35/65/132033565.db2.gz PDUBGHVYXQQUOU-AEFFLSMTSA-N 2 2 324.472 3.581 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000298053062 132045632 /nfs/dbraw/zinc/04/56/32/132045632.db2.gz IZBYLCWFHLBFJW-UHFFFAOYSA-N 2 2 317.436 3.688 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000298053062 132045633 /nfs/dbraw/zinc/04/56/33/132045633.db2.gz IZBYLCWFHLBFJW-UHFFFAOYSA-N 2 2 317.436 3.688 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(OC(F)F)c1 ZINC000163817804 132123800 /nfs/dbraw/zinc/12/38/00/132123800.db2.gz WJIUCQDFKVUDCT-CYBMUJFWSA-N 2 2 321.371 3.836 20 0 DHADLP c1ccc(NCCC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)[nH+]c1 ZINC000163836710 132124941 /nfs/dbraw/zinc/12/49/41/132124941.db2.gz PRFCGBZVBWAGJS-KRWDZBQOSA-N 2 2 323.440 3.920 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468549719 335071828 /nfs/dbraw/zinc/07/18/28/335071828.db2.gz WRGDBCBJAZLEFI-ZIFCJYIRSA-N 2 2 318.505 3.690 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468549719 335071831 /nfs/dbraw/zinc/07/18/31/335071831.db2.gz WRGDBCBJAZLEFI-ZIFCJYIRSA-N 2 2 318.505 3.690 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000570691218 332801721 /nfs/dbraw/zinc/80/17/21/332801721.db2.gz VZQDSMKMTKZKTL-GOSISDBHSA-N 2 2 302.462 3.794 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000570923537 332843053 /nfs/dbraw/zinc/84/30/53/332843053.db2.gz JKLMOEVEQLITDC-QAPCUYQASA-N 2 2 306.413 3.827 20 0 DHADLP Clc1ccc2[nH+]c(CNc3cc4c(c[nH+]3)CCCC4)cn2c1 ZINC000461206294 332878975 /nfs/dbraw/zinc/87/89/75/332878975.db2.gz GINCLCLLBUDMKT-UHFFFAOYSA-N 2 2 312.804 3.874 20 0 DHADLP C[C@@H](C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)C[NH+]1CCCCC1 ZINC000556857768 331742402 /nfs/dbraw/zinc/74/24/02/331742402.db2.gz GMGRUTTVIIAWLR-WMZOPIPTSA-N 2 2 318.509 3.743 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000584228502 331871422 /nfs/dbraw/zinc/87/14/22/331871422.db2.gz AVSUBTYBVBACBK-CRAIPNDOSA-N 2 2 306.413 3.827 20 0 DHADLP c1ccc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2c1 ZINC000569355555 332028723 /nfs/dbraw/zinc/02/87/23/332028723.db2.gz QLOVERJXBJMLBV-NRFANRHFSA-N 2 2 324.468 3.527 20 0 DHADLP c1ccc2cc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2c1 ZINC000569355555 332028724 /nfs/dbraw/zinc/02/87/24/332028724.db2.gz QLOVERJXBJMLBV-NRFANRHFSA-N 2 2 324.468 3.527 20 0 DHADLP CC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000131733754 332033221 /nfs/dbraw/zinc/03/32/21/332033221.db2.gz CWGRNVXEELIWSQ-GOSISDBHSA-N 2 2 309.457 3.661 20 0 DHADLP Cn1c(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)[nH+]c2cccc(F)c21 ZINC000409732989 332050832 /nfs/dbraw/zinc/05/08/32/332050832.db2.gz PHMMWVLPNKISEV-IRXDYDNUSA-N 2 2 324.403 3.570 20 0 DHADLP Cn1c(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[nH+]c2cccc(F)c21 ZINC000409732989 332050835 /nfs/dbraw/zinc/05/08/35/332050835.db2.gz PHMMWVLPNKISEV-IRXDYDNUSA-N 2 2 324.403 3.570 20 0 DHADLP CCC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)OC ZINC000449378532 332095603 /nfs/dbraw/zinc/09/56/03/332095603.db2.gz QZRVTCGHDDGOOL-SFHVURJKSA-N 2 2 324.896 3.709 20 0 DHADLP CCSCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132245569 332120291 /nfs/dbraw/zinc/12/02/91/332120291.db2.gz KFZBNDSYVZSHRA-SJLPKXTDSA-N 2 2 306.519 3.772 20 0 DHADLP CCSCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132245569 332120293 /nfs/dbraw/zinc/12/02/93/332120293.db2.gz KFZBNDSYVZSHRA-SJLPKXTDSA-N 2 2 306.519 3.772 20 0 DHADLP C[C@H]1CCC[C@@H](C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000092560734 332133845 /nfs/dbraw/zinc/13/38/45/332133845.db2.gz HHISGRMQOFWPHG-PKOBYXMFSA-N 2 2 311.473 3.890 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC000093692987 332141500 /nfs/dbraw/zinc/14/15/00/332141500.db2.gz QCBJUPSSSCXSKS-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC000093692987 332141501 /nfs/dbraw/zinc/14/15/01/332141501.db2.gz QCBJUPSSSCXSKS-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC2CCCC2)C1 ZINC000093770019 332142104 /nfs/dbraw/zinc/14/21/04/332142104.db2.gz STUNUHCJLISALV-KRWDZBQOSA-N 2 2 316.489 3.782 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OC2CCCC2)C1 ZINC000093770019 332142106 /nfs/dbraw/zinc/14/21/06/332142106.db2.gz STUNUHCJLISALV-KRWDZBQOSA-N 2 2 316.489 3.782 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000093770019 332142107 /nfs/dbraw/zinc/14/21/07/332142107.db2.gz STUNUHCJLISALV-KRWDZBQOSA-N 2 2 316.489 3.782 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000093770019 332142109 /nfs/dbraw/zinc/14/21/09/332142109.db2.gz STUNUHCJLISALV-KRWDZBQOSA-N 2 2 316.489 3.782 20 0 DHADLP CSCC1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000449419849 332163843 /nfs/dbraw/zinc/16/38/43/332163843.db2.gz CLAOWDZLFYNEMZ-UHFFFAOYSA-N 2 2 321.515 3.945 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427135805 332168401 /nfs/dbraw/zinc/16/84/01/332168401.db2.gz LBBODCZSBOOHBN-FXAWDEMLSA-N 2 2 324.468 3.811 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427135805 332168403 /nfs/dbraw/zinc/16/84/03/332168403.db2.gz LBBODCZSBOOHBN-FXAWDEMLSA-N 2 2 324.468 3.811 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccco3)cc2F)CC1 ZINC000448021637 332185692 /nfs/dbraw/zinc/18/56/92/332185692.db2.gz JTGSFYCQCHEALG-UHFFFAOYSA-N 2 2 302.393 3.660 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000559778342 332281237 /nfs/dbraw/zinc/28/12/37/332281237.db2.gz ZYIVQOBDNWNCBE-PMACEKPBSA-N 2 2 312.432 3.793 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@@H]1c1ccccc1 ZINC000559778342 332281238 /nfs/dbraw/zinc/28/12/38/332281238.db2.gz ZYIVQOBDNWNCBE-PMACEKPBSA-N 2 2 312.432 3.793 20 0 DHADLP Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2cn3ccccc3[nH+]2)c1 ZINC000559911476 332293403 /nfs/dbraw/zinc/29/34/03/332293403.db2.gz MDBURFMYRBWATI-OAHLLOKOSA-N 2 2 308.429 3.877 20 0 DHADLP c1cc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000049153304 332307628 /nfs/dbraw/zinc/30/76/28/332307628.db2.gz GRTCJKUYKJEKBR-GOSISDBHSA-N 2 2 300.471 3.545 20 0 DHADLP c1cc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000049153304 332307629 /nfs/dbraw/zinc/30/76/29/332307629.db2.gz GRTCJKUYKJEKBR-GOSISDBHSA-N 2 2 300.471 3.545 20 0 DHADLP CC(C)C[C@@H](CN[C@H](c1[nH]cc[nH+]1)C1CCCCC1)[NH+](C)C ZINC000560522823 332350198 /nfs/dbraw/zinc/35/01/98/332350198.db2.gz KBCATGDUELCOQJ-IRXDYDNUSA-N 2 2 306.498 3.597 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)COc1ccc(F)cc1F ZINC000583408180 332391705 /nfs/dbraw/zinc/39/17/05/332391705.db2.gz KXFRXMBGNQQZEO-CQSZACIVSA-N 2 2 320.383 3.658 20 0 DHADLP CC(C)c1ccc(-c2ncc(C[NH2+]CC3([NH3+])CCC3)s2)cc1 ZINC000565046590 332487050 /nfs/dbraw/zinc/48/70/50/332487050.db2.gz NGWPTNOBQKZMGM-UHFFFAOYSA-N 2 2 315.486 3.905 20 0 DHADLP CCSc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427858983 332544550 /nfs/dbraw/zinc/54/45/50/332544550.db2.gz VEUFAVMTJFYBQH-UKRRQHHQSA-N 2 2 301.459 3.661 20 0 DHADLP Fc1ccc(C2=CC[C@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000427870699 332551370 /nfs/dbraw/zinc/55/13/70/332551370.db2.gz IZEOPMURHWPTGI-ZWKOTPCHSA-N 2 2 311.404 3.563 20 0 DHADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427894515 332557207 /nfs/dbraw/zinc/55/72/07/332557207.db2.gz LFDZBSNPLRUFCS-JSGCOSHPSA-N 2 2 322.239 3.782 20 0 DHADLP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCCOCC2)[NH+](C)C)cc1 ZINC000566905652 332606657 /nfs/dbraw/zinc/60/66/57/332606657.db2.gz COMGIKYCIDXDPK-UXHICEINSA-N 2 2 318.505 3.647 20 0 DHADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000181237236 333029686 /nfs/dbraw/zinc/02/96/86/333029686.db2.gz RGAXLRQESNUXTP-WLYUNCDWSA-N 2 2 306.416 3.819 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000378870585 333058652 /nfs/dbraw/zinc/05/86/52/333058652.db2.gz MPZWQPWRBGOBCV-FXAWDEMLSA-N 2 2 324.468 3.577 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000378870585 333058653 /nfs/dbraw/zinc/05/86/53/333058653.db2.gz MPZWQPWRBGOBCV-FXAWDEMLSA-N 2 2 324.468 3.577 20 0 DHADLP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000189029160 333061292 /nfs/dbraw/zinc/06/12/92/333061292.db2.gz QKLZAQBMWXNDJI-MRXNPFEDSA-N 2 2 310.844 3.929 20 0 DHADLP Fc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000189029160 333061294 /nfs/dbraw/zinc/06/12/94/333061294.db2.gz QKLZAQBMWXNDJI-MRXNPFEDSA-N 2 2 310.844 3.929 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000563884476 335123747 /nfs/dbraw/zinc/12/37/47/335123747.db2.gz DRXQMQVSVOFGSX-HXUWFJFHSA-N 2 2 324.468 3.816 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000098173201 335123770 /nfs/dbraw/zinc/12/37/70/335123770.db2.gz SAISGPHSORWHQB-LBPRGKRZSA-N 2 2 318.433 3.557 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000098173201 335123771 /nfs/dbraw/zinc/12/37/71/335123771.db2.gz SAISGPHSORWHQB-LBPRGKRZSA-N 2 2 318.433 3.557 20 0 DHADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000309671891 333187083 /nfs/dbraw/zinc/18/70/83/333187083.db2.gz UAXAEZXAYXBSIZ-XLIONFOSSA-N 2 2 309.457 3.644 20 0 DHADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000309671891 333187084 /nfs/dbraw/zinc/18/70/84/333187084.db2.gz UAXAEZXAYXBSIZ-XLIONFOSSA-N 2 2 309.457 3.644 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309707107 333190878 /nfs/dbraw/zinc/19/08/78/333190878.db2.gz IBVZQYIVXZAVDZ-GOSISDBHSA-N 2 2 300.471 3.811 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000309707107 333190880 /nfs/dbraw/zinc/19/08/80/333190880.db2.gz IBVZQYIVXZAVDZ-GOSISDBHSA-N 2 2 300.471 3.811 20 0 DHADLP Cc1cccc(C[NH2+]C[C@H](C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000518782504 333201412 /nfs/dbraw/zinc/20/14/12/333201412.db2.gz YZWGKGLKJKCCBS-KRWDZBQOSA-N 2 2 308.469 3.840 20 0 DHADLP Cc1cccc(C[NH2+]C[C@H](C)[N@H+]2CCc3ccccc3C2)c1C ZINC000518782504 333201413 /nfs/dbraw/zinc/20/14/13/333201413.db2.gz YZWGKGLKJKCCBS-KRWDZBQOSA-N 2 2 308.469 3.840 20 0 DHADLP Cc1cccc(C[NH2+]C[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000518782505 333201495 /nfs/dbraw/zinc/20/14/95/333201495.db2.gz YZWGKGLKJKCCBS-QGZVFWFLSA-N 2 2 308.469 3.840 20 0 DHADLP Cc1cccc(C[NH2+]C[C@@H](C)[N@H+]2CCc3ccccc3C2)c1C ZINC000518782505 333201497 /nfs/dbraw/zinc/20/14/97/333201497.db2.gz YZWGKGLKJKCCBS-QGZVFWFLSA-N 2 2 308.469 3.840 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@H]2CCO[C@H]2c2ccccc2)c[nH+]1 ZINC000343337064 335123445 /nfs/dbraw/zinc/12/34/45/335123445.db2.gz ABJLFOLEKOCIEW-UXHICEINSA-N 2 2 310.441 3.690 20 0 DHADLP Cc1cscc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309949139 333209502 /nfs/dbraw/zinc/20/95/02/333209502.db2.gz LZYZEAUHZBTWSZ-QAPCUYQASA-N 2 2 300.471 3.809 20 0 DHADLP Cc1cscc1C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309949139 333209504 /nfs/dbraw/zinc/20/95/04/333209504.db2.gz LZYZEAUHZBTWSZ-QAPCUYQASA-N 2 2 300.471 3.809 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000500434115 333241830 /nfs/dbraw/zinc/24/18/30/333241830.db2.gz PSKPHBONZXGBGQ-QAPCUYQASA-N 2 2 322.443 3.922 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000500434115 333241832 /nfs/dbraw/zinc/24/18/32/333241832.db2.gz PSKPHBONZXGBGQ-QAPCUYQASA-N 2 2 322.443 3.922 20 0 DHADLP CC(C)c1nc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc[nH+]1 ZINC000110537942 333327537 /nfs/dbraw/zinc/32/75/37/333327537.db2.gz XKEVNDQOMYNNRN-SFHVURJKSA-N 2 2 324.472 3.577 20 0 DHADLP CC(C)c1nc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc[nH+]1 ZINC000110537942 333327538 /nfs/dbraw/zinc/32/75/38/333327538.db2.gz XKEVNDQOMYNNRN-SFHVURJKSA-N 2 2 324.472 3.577 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000121408017 333386521 /nfs/dbraw/zinc/38/65/21/333386521.db2.gz OPHFRAVQQXIIPA-DNVCBOLYSA-N 2 2 319.408 3.527 20 0 DHADLP CC1(C)C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C(C)(C)O1 ZINC000391297644 333434379 /nfs/dbraw/zinc/43/43/79/333434379.db2.gz SSWBLZBXSGHGLS-MSOLQXFVSA-N 2 2 316.489 3.759 20 0 DHADLP c1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000124837908 333500786 /nfs/dbraw/zinc/50/07/86/333500786.db2.gz WXELLJRLLJSPOV-HXUWFJFHSA-N 2 2 307.441 3.791 20 0 DHADLP C[C@H]1CCc2nc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)sc2C1 ZINC000152046227 333519706 /nfs/dbraw/zinc/51/97/06/333519706.db2.gz UNBIDBVCSPXLQB-LBPRGKRZSA-N 2 2 321.534 3.667 20 0 DHADLP Clc1ccc([C@H]2CCC[C@@H]([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000414078383 333892442 /nfs/dbraw/zinc/89/24/42/333892442.db2.gz ZXWLXRXDBKOQSH-DOTOQJQBSA-N 2 2 303.837 3.853 20 0 DHADLP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1C[C@H]1C ZINC000414159833 333914730 /nfs/dbraw/zinc/91/47/30/333914730.db2.gz YTVYIDNWCWYZMM-GSWUYIABSA-N 2 2 318.427 3.816 20 0 DHADLP CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000414231482 333926739 /nfs/dbraw/zinc/92/67/39/333926739.db2.gz PBAREDSDMUDXAM-KHYOSLBOSA-N 2 2 313.445 3.727 20 0 DHADLP CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000414297426 333935514 /nfs/dbraw/zinc/93/55/14/333935514.db2.gz HOKTXNQUSIEWSZ-IRXDYDNUSA-N 2 2 301.478 3.855 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC(C)(C)C[C@H]3C)sc2C1 ZINC000414529700 334008773 /nfs/dbraw/zinc/00/87/73/334008773.db2.gz WFBFLLICGSOVTC-CYBMUJFWSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC(C)(C)C[C@H]3C)sc2C1 ZINC000414529700 334008774 /nfs/dbraw/zinc/00/87/74/334008774.db2.gz WFBFLLICGSOVTC-CYBMUJFWSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC(C)(C)C[C@H]3C)sc2C1 ZINC000414529700 334008775 /nfs/dbraw/zinc/00/87/75/334008775.db2.gz WFBFLLICGSOVTC-CYBMUJFWSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC(C)(C)C[C@H]3C)sc2C1 ZINC000414529700 334008776 /nfs/dbraw/zinc/00/87/76/334008776.db2.gz WFBFLLICGSOVTC-CYBMUJFWSA-N 2 2 307.507 3.530 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000271368592 334021596 /nfs/dbraw/zinc/02/15/96/334021596.db2.gz GOHWCEGJILDBCY-DOTOQJQBSA-N 2 2 315.486 3.939 20 0 DHADLP C[NH2+]C1CC[NH+](Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000414668286 334062780 /nfs/dbraw/zinc/06/27/80/334062780.db2.gz IOROHXSZAOJVFP-UHFFFAOYSA-N 2 2 324.468 3.854 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cn1 ZINC000274948804 334067900 /nfs/dbraw/zinc/06/79/00/334067900.db2.gz UUYMZPLBXHFNFO-CYBMUJFWSA-N 2 2 307.869 3.793 20 0 DHADLP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000343553905 335171852 /nfs/dbraw/zinc/17/18/52/335171852.db2.gz DOBIKAGYHZORSN-SJLPKXTDSA-N 2 2 301.478 3.604 20 0 DHADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)CCO1 ZINC000414821131 334108440 /nfs/dbraw/zinc/10/84/40/334108440.db2.gz BUQFFTHZPYRTMY-IPELMVKDSA-N 2 2 304.478 3.605 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414834905 334111262 /nfs/dbraw/zinc/11/12/62/334111262.db2.gz RDWAUWIWJDKASU-MRXNPFEDSA-N 2 2 308.347 3.803 20 0 DHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](C[NH3+])C3CCCCC3)CC2)C1 ZINC000414835772 334111399 /nfs/dbraw/zinc/11/13/99/334111399.db2.gz HTSBOWGGSKOVEK-LSTHTHJFSA-N 3 2 321.553 3.527 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])CC(C)C)cs2)cc1 ZINC000414835177 334111426 /nfs/dbraw/zinc/11/14/26/334111426.db2.gz HGHDKCBAPHWUOZ-OAHLLOKOSA-N 2 2 303.475 3.582 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(O)c1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000293156177 334195955 /nfs/dbraw/zinc/19/59/55/334195955.db2.gz FFUHTYNXQSXLMG-HIFRSBDPSA-N 2 2 322.880 3.788 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(O)c1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000293156177 334195956 /nfs/dbraw/zinc/19/59/56/334195956.db2.gz FFUHTYNXQSXLMG-HIFRSBDPSA-N 2 2 322.880 3.788 20 0 DHADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000414970140 334216429 /nfs/dbraw/zinc/21/64/29/334216429.db2.gz KANJQDISYYPDNZ-LLVKDONJSA-N 2 2 305.224 3.610 20 0 DHADLP CC(C)c1[nH+]ccn1Cc1cccc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000296275320 334231418 /nfs/dbraw/zinc/23/14/18/334231418.db2.gz CAUPCLAUPSLADF-KRWDZBQOSA-N 2 2 321.428 3.808 20 0 DHADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415086860 334275343 /nfs/dbraw/zinc/27/53/43/334275343.db2.gz SAUAXCKWEBLBSD-KBPBESRZSA-N 2 2 306.347 3.782 20 0 DHADLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000415032882 334260298 /nfs/dbraw/zinc/26/02/98/334260298.db2.gz BFFZZQUCCYBWRP-MRXNPFEDSA-N 2 2 319.449 3.556 20 0 DHADLP CCOc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2CC)cc1F ZINC000415068495 334262755 /nfs/dbraw/zinc/26/27/55/334262755.db2.gz REGKLXKPNPEUPY-SFHVURJKSA-N 2 2 316.420 3.576 20 0 DHADLP c1sc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1C1CC1 ZINC000415075922 334267126 /nfs/dbraw/zinc/26/71/26/334267126.db2.gz FZDLEFAYSCQTTQ-JKSUJKDBSA-N 2 2 313.470 3.603 20 0 DHADLP C[N@H+](CC[NH3+])Cc1ccc(-c2ccccc2Br)cc1 ZINC000415107168 334281319 /nfs/dbraw/zinc/28/13/19/334281319.db2.gz KPHSCCUHGOFPIW-UHFFFAOYSA-N 2 2 319.246 3.507 20 0 DHADLP C[N@@H+](CC[NH3+])Cc1ccc(-c2ccccc2Br)cc1 ZINC000415107168 334281320 /nfs/dbraw/zinc/28/13/20/334281320.db2.gz KPHSCCUHGOFPIW-UHFFFAOYSA-N 2 2 319.246 3.507 20 0 DHADLP CCOc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415108717 334281676 /nfs/dbraw/zinc/28/16/76/334281676.db2.gz OWHSTKOVKQBZDF-AZUAARDMSA-N 2 2 310.441 3.516 20 0 DHADLP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415115360 334283736 /nfs/dbraw/zinc/28/37/36/334283736.db2.gz DPXOUABUKOCISC-QUCCMNQESA-N 2 2 323.484 3.962 20 0 DHADLP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000531939311 334298731 /nfs/dbraw/zinc/29/87/31/334298731.db2.gz LVGOIXDUNDYMAP-KSSFIOAISA-N 2 2 301.409 3.716 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CCO1 ZINC000443006280 338441797 /nfs/dbraw/zinc/44/17/97/338441797.db2.gz ICGYJNGSNQCPKG-XFKSJGNHSA-N 2 2 318.505 3.781 20 0 DHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000531956533 334308117 /nfs/dbraw/zinc/30/81/17/334308117.db2.gz RWFAZIDZKPEMJY-GOSISDBHSA-N 2 2 313.445 3.784 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000532015375 334375170 /nfs/dbraw/zinc/37/51/70/334375170.db2.gz BTZCMVXQFVHVPK-OIISXLGYSA-N 2 2 308.416 3.989 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000532015375 334375171 /nfs/dbraw/zinc/37/51/71/334375171.db2.gz BTZCMVXQFVHVPK-OIISXLGYSA-N 2 2 308.416 3.989 20 0 DHADLP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000532041646 334382294 /nfs/dbraw/zinc/38/22/94/334382294.db2.gz ITUBXJKWCFQFFX-IEBWSBKVSA-N 2 2 318.505 3.743 20 0 DHADLP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000532041646 334382295 /nfs/dbraw/zinc/38/22/95/334382295.db2.gz ITUBXJKWCFQFFX-IEBWSBKVSA-N 2 2 318.505 3.743 20 0 DHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000340943631 334395417 /nfs/dbraw/zinc/39/54/17/334395417.db2.gz FSTGPBZXSOXDKA-UHFFFAOYSA-N 2 2 322.880 3.580 20 0 DHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000340943631 334395418 /nfs/dbraw/zinc/39/54/18/334395418.db2.gz FSTGPBZXSOXDKA-UHFFFAOYSA-N 2 2 322.880 3.580 20 0 DHADLP CCOc1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)cc1Cl ZINC000341358749 334434807 /nfs/dbraw/zinc/43/48/07/334434807.db2.gz YEJWAHJHJHZLJL-UHFFFAOYSA-N 2 2 315.804 3.676 20 0 DHADLP Cc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341455996 334442273 /nfs/dbraw/zinc/44/22/73/334442273.db2.gz KUJHCZJOERVUQT-GOSISDBHSA-N 2 2 323.484 3.575 20 0 DHADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC1(C)C ZINC000417323743 334708629 /nfs/dbraw/zinc/70/86/29/334708629.db2.gz OYTRKAXZZMRRKI-RBUKOAKNSA-N 2 2 315.505 3.850 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000122909931 334717591 /nfs/dbraw/zinc/71/75/91/334717591.db2.gz CHLHMRWAJJUUMH-OAHLLOKOSA-N 2 2 313.449 3.509 20 0 DHADLP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000425346354 334804480 /nfs/dbraw/zinc/80/44/80/334804480.db2.gz KGWNSLWMYJCAED-OKZBNKHCSA-N 2 2 304.503 3.616 20 0 DHADLP COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188763562 334871721 /nfs/dbraw/zinc/87/17/21/334871721.db2.gz KPXXOMZUIDNLEC-HUUCEWRRSA-N 2 2 322.412 3.688 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+]Cc2cccn2C)c2cccs2)CC1 ZINC000072890007 334884759 /nfs/dbraw/zinc/88/47/59/334884759.db2.gz AEOYWVRPQBIHBE-QGZVFWFLSA-N 2 2 317.502 3.649 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000343787803 335193142 /nfs/dbraw/zinc/19/31/42/335193142.db2.gz GZNCFZORJGUCRC-KSSFIOAISA-N 2 2 320.440 3.655 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000343924006 335202413 /nfs/dbraw/zinc/20/24/13/335202413.db2.gz JTDDILFFYZWLSN-XHSDSOJGSA-N 2 2 322.518 3.558 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000343924006 335202414 /nfs/dbraw/zinc/20/24/14/335202414.db2.gz JTDDILFFYZWLSN-XHSDSOJGSA-N 2 2 322.518 3.558 20 0 DHADLP Cc1ccc(CC[C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000344171923 335227187 /nfs/dbraw/zinc/22/71/87/335227187.db2.gz AOVXCCFLSDGNOR-ZDUSSCGKSA-N 2 2 315.442 3.946 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)C[N@@H+]1C1CC1 ZINC000344330325 335241434 /nfs/dbraw/zinc/24/14/34/335241434.db2.gz ODOKBJDARGXRPY-IGCXYCKISA-N 2 2 320.864 3.769 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)C[N@H+]1C1CC1 ZINC000344330325 335241435 /nfs/dbraw/zinc/24/14/35/335241435.db2.gz ODOKBJDARGXRPY-IGCXYCKISA-N 2 2 320.864 3.769 20 0 DHADLP Fc1ccc(C2([NH2+]CCC[NH+]3CCCCC3)CCC2)c(F)c1 ZINC000444609113 338476671 /nfs/dbraw/zinc/47/66/71/338476671.db2.gz NFFGOBINLKLPFB-UHFFFAOYSA-N 2 2 308.416 3.810 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(F)c3cccnc13)CCC2 ZINC000344537351 335255916 /nfs/dbraw/zinc/25/59/16/335255916.db2.gz KJKKSYDVPYLTNK-OAHLLOKOSA-N 2 2 324.403 3.546 20 0 DHADLP CCCCOc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000344497729 335256972 /nfs/dbraw/zinc/25/69/72/335256972.db2.gz MJGKKPXACPQBNT-QGZVFWFLSA-N 2 2 313.445 3.968 20 0 DHADLP COCC[C@H]1CCCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000344898884 335283803 /nfs/dbraw/zinc/28/38/03/335283803.db2.gz VENDFBOHUIGMSD-OAHLLOKOSA-N 2 2 319.474 3.572 20 0 DHADLP COCC[C@H]1CCCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000344898884 335283804 /nfs/dbraw/zinc/28/38/04/335283804.db2.gz VENDFBOHUIGMSD-OAHLLOKOSA-N 2 2 319.474 3.572 20 0 DHADLP CC[N@H+](Cc1csc(CCC(C)C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000345193604 335306754 /nfs/dbraw/zinc/30/67/54/335306754.db2.gz WRVNJPTTYDPPRF-MRXNPFEDSA-N 2 2 309.523 3.696 20 0 DHADLP CC[N@@H+](Cc1csc(CCC(C)C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000345193604 335306755 /nfs/dbraw/zinc/30/67/55/335306755.db2.gz WRVNJPTTYDPPRF-MRXNPFEDSA-N 2 2 309.523 3.696 20 0 DHADLP CC[C@]1(C)CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346166437 335384198 /nfs/dbraw/zinc/38/41/98/335384198.db2.gz JCVWANGRUWATRU-GOSISDBHSA-N 2 2 321.534 3.922 20 0 DHADLP CC[C@]1(C)CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346166437 335384199 /nfs/dbraw/zinc/38/41/99/335384199.db2.gz JCVWANGRUWATRU-GOSISDBHSA-N 2 2 321.534 3.922 20 0 DHADLP CC[C@]1(C)CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000346166437 335384200 /nfs/dbraw/zinc/38/42/00/335384200.db2.gz JCVWANGRUWATRU-GOSISDBHSA-N 2 2 321.534 3.922 20 0 DHADLP CC[C@]1(C)CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000346166437 335384201 /nfs/dbraw/zinc/38/42/01/335384201.db2.gz JCVWANGRUWATRU-GOSISDBHSA-N 2 2 321.534 3.922 20 0 DHADLP CC[C@H](C)C[N@H+](CC)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346166952 335384456 /nfs/dbraw/zinc/38/44/56/335384456.db2.gz JFKRIVMQTSKQNJ-AWEZNQCLSA-N 2 2 309.523 3.778 20 0 DHADLP CC[C@H](C)C[N@@H+](CC)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346166952 335384458 /nfs/dbraw/zinc/38/44/58/335384458.db2.gz JFKRIVMQTSKQNJ-AWEZNQCLSA-N 2 2 309.523 3.778 20 0 DHADLP CC[C@H](C)C[NH+](CC)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346166952 335384460 /nfs/dbraw/zinc/38/44/60/335384460.db2.gz JFKRIVMQTSKQNJ-AWEZNQCLSA-N 2 2 309.523 3.778 20 0 DHADLP CC[C@H](C)C[NH+](CC)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346166952 335384462 /nfs/dbraw/zinc/38/44/62/335384462.db2.gz JFKRIVMQTSKQNJ-AWEZNQCLSA-N 2 2 309.523 3.778 20 0 DHADLP CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346186533 335387762 /nfs/dbraw/zinc/38/77/62/335387762.db2.gz ZBKZDBKAMRXYKT-NVXWUHKLSA-N 2 2 319.474 3.569 20 0 DHADLP CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346186533 335387764 /nfs/dbraw/zinc/38/77/64/335387764.db2.gz ZBKZDBKAMRXYKT-NVXWUHKLSA-N 2 2 319.474 3.569 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000346191918 335388551 /nfs/dbraw/zinc/38/85/51/335388551.db2.gz WPPYTMNBVDHEFM-OAHLLOKOSA-N 2 2 324.403 3.908 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)c1ccccc1F ZINC000346191918 335388552 /nfs/dbraw/zinc/38/85/52/335388552.db2.gz WPPYTMNBVDHEFM-OAHLLOKOSA-N 2 2 324.403 3.908 20 0 DHADLP C[C@H]([NH2+]CCN(C)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346540972 335419927 /nfs/dbraw/zinc/41/99/27/335419927.db2.gz ZVFDLAHKZXJZEI-KRWDZBQOSA-N 2 2 320.440 3.659 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccnn1-c1ccccc1 ZINC000366967454 335457715 /nfs/dbraw/zinc/45/77/15/335457715.db2.gz XKRHVCQQVRJTLS-MUYFXNHWSA-N 2 2 324.472 3.540 20 0 DHADLP Cc1nn(-c2ccccc2)cc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000348217758 335562256 /nfs/dbraw/zinc/56/22/56/335562256.db2.gz GWIWCHGBIPZTBI-UHFFFAOYSA-N 2 2 320.440 3.607 20 0 DHADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCCn1cc[nH+]c1 ZINC000444781766 338488519 /nfs/dbraw/zinc/48/85/19/338488519.db2.gz HLLCOMKLSLFTMZ-HNNXBMFYSA-N 2 2 311.351 3.865 20 0 DHADLP C[C@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000532222783 335917411 /nfs/dbraw/zinc/91/74/11/335917411.db2.gz WAYKHTXOVNZADK-ROUUACIJSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1ccc(CCC[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c[nH+]1 ZINC000351491510 336038209 /nfs/dbraw/zinc/03/82/09/336038209.db2.gz IQCPZWVSBIVUJX-OXJNMPFZSA-N 2 2 310.441 3.647 20 0 DHADLP Cc1ccc(CCC[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c[nH+]1 ZINC000351491510 336038211 /nfs/dbraw/zinc/03/82/11/336038211.db2.gz IQCPZWVSBIVUJX-OXJNMPFZSA-N 2 2 310.441 3.647 20 0 DHADLP Clc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)s1 ZINC000351570712 336045724 /nfs/dbraw/zinc/04/57/24/336045724.db2.gz OOIATOKUZRYMLT-UHFFFAOYSA-N 2 2 304.806 3.653 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCCc2occc21 ZINC000192605173 336183474 /nfs/dbraw/zinc/18/34/74/336183474.db2.gz BWNGKWFXAJXJSK-INIZCTEOSA-N 2 2 309.413 3.995 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352018899 336189455 /nfs/dbraw/zinc/18/94/55/336189455.db2.gz BYQFCXKPPJTDDD-OAHLLOKOSA-N 2 2 306.400 3.538 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352018899 336189456 /nfs/dbraw/zinc/18/94/56/336189456.db2.gz BYQFCXKPPJTDDD-OAHLLOKOSA-N 2 2 306.400 3.538 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352018899 336189457 /nfs/dbraw/zinc/18/94/57/336189457.db2.gz BYQFCXKPPJTDDD-OAHLLOKOSA-N 2 2 306.400 3.538 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352018899 336189458 /nfs/dbraw/zinc/18/94/58/336189458.db2.gz BYQFCXKPPJTDDD-OAHLLOKOSA-N 2 2 306.400 3.538 20 0 DHADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1OC(F)F ZINC000352682127 336230127 /nfs/dbraw/zinc/23/01/27/336230127.db2.gz BYFXROUVAQWMEJ-KCXAZCMYSA-N 2 2 324.415 3.811 20 0 DHADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1OC(F)F ZINC000352682127 336230128 /nfs/dbraw/zinc/23/01/28/336230128.db2.gz BYFXROUVAQWMEJ-KCXAZCMYSA-N 2 2 324.415 3.811 20 0 DHADLP Cc1c2ccccc2oc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352774835 336235809 /nfs/dbraw/zinc/23/58/09/336235809.db2.gz RJFYEUSOAMBNIQ-UHFFFAOYSA-N 2 2 315.442 3.549 20 0 DHADLP FC1=CCC[NH+](Cc2cccc(C[N@H+]3CCC=C(F)C3)c2)C1 ZINC000352782359 336236264 /nfs/dbraw/zinc/23/62/64/336236264.db2.gz CZWKMQQJNTVTMA-UHFFFAOYSA-N 2 2 304.384 3.805 20 0 DHADLP FC1=CCC[NH+](Cc2cccc(C[N@@H+]3CCC=C(F)C3)c2)C1 ZINC000352782359 336236265 /nfs/dbraw/zinc/23/62/65/336236265.db2.gz CZWKMQQJNTVTMA-UHFFFAOYSA-N 2 2 304.384 3.805 20 0 DHADLP FC(F)(F)c1cscc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000352796928 336237559 /nfs/dbraw/zinc/23/75/59/336237559.db2.gz LGMIPSKBWYNQKY-UHFFFAOYSA-N 2 2 315.364 3.754 20 0 DHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000532503830 336252472 /nfs/dbraw/zinc/25/24/72/336252472.db2.gz PBPPRNNXMKMUIL-BPQIPLTHSA-N 2 2 314.498 3.880 20 0 DHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000532503830 336252473 /nfs/dbraw/zinc/25/24/73/336252473.db2.gz PBPPRNNXMKMUIL-BPQIPLTHSA-N 2 2 314.498 3.880 20 0 DHADLP CC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC000532530997 336253842 /nfs/dbraw/zinc/25/38/42/336253842.db2.gz BKRAKJRIGNMFRT-HNAYVOBHSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@]1(C)CCCO1 ZINC000580352337 336258885 /nfs/dbraw/zinc/25/88/85/336258885.db2.gz PUKWPZHBROVFNW-FRQCXROJSA-N 2 2 304.478 3.663 20 0 DHADLP CC(C)[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352837833 336273193 /nfs/dbraw/zinc/27/31/93/336273193.db2.gz CEHXVUAZYQHZJE-UHFFFAOYSA-N 2 2 306.397 3.729 20 0 DHADLP c1c[nH+]c(C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)[nH]1 ZINC000352851609 336279749 /nfs/dbraw/zinc/27/97/49/336279749.db2.gz CUCRIQODBMVRPS-UHFFFAOYSA-N 2 2 318.424 3.851 20 0 DHADLP Cc1cc(NCc2ccccc2C[NH+]2CCC(C)CC2)nc[nH+]1 ZINC000301250741 336296821 /nfs/dbraw/zinc/29/68/21/336296821.db2.gz PNESGILCAIJOEQ-UHFFFAOYSA-N 2 2 310.445 3.629 20 0 DHADLP CC(C)c1nc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc[nH+]1 ZINC000301287179 336298853 /nfs/dbraw/zinc/29/88/53/336298853.db2.gz OWKLILCCVUAMGE-DLBZAZTESA-N 2 2 316.493 3.691 20 0 DHADLP CC(C)c1nc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc[nH+]1 ZINC000301287179 336298854 /nfs/dbraw/zinc/29/88/54/336298854.db2.gz OWKLILCCVUAMGE-DLBZAZTESA-N 2 2 316.493 3.691 20 0 DHADLP CC(C)CC[NH+]1CCC(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000301564005 336315225 /nfs/dbraw/zinc/31/52/25/336315225.db2.gz VQQRYVLOXPYHDJ-UHFFFAOYSA-N 2 2 302.466 3.524 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301787730 336329868 /nfs/dbraw/zinc/32/98/68/336329868.db2.gz PLBJCJZKQCXBSZ-PXNSSMCTSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301787730 336329869 /nfs/dbraw/zinc/32/98/69/336329869.db2.gz PLBJCJZKQCXBSZ-PXNSSMCTSA-N 2 2 321.468 3.996 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301804409 336331136 /nfs/dbraw/zinc/33/11/36/336331136.db2.gz XGLZAYVNKRVNDG-HNNXBMFYSA-N 2 2 304.482 3.554 20 0 DHADLP CC(C)C[N@H+]1CCC[C@@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301804409 336331137 /nfs/dbraw/zinc/33/11/37/336331137.db2.gz XGLZAYVNKRVNDG-HNNXBMFYSA-N 2 2 304.482 3.554 20 0 DHADLP CCc1cc(N2CCC[N@H+](CC(F)F)CC2)c2ccccc2[nH+]1 ZINC000301866522 336335035 /nfs/dbraw/zinc/33/50/35/336335035.db2.gz BOJUTMFNFUVGMO-UHFFFAOYSA-N 2 2 319.399 3.574 20 0 DHADLP CCc1cc(N2CCC[N@@H+](CC(F)F)CC2)c2ccccc2[nH+]1 ZINC000301866522 336335036 /nfs/dbraw/zinc/33/50/36/336335036.db2.gz BOJUTMFNFUVGMO-UHFFFAOYSA-N 2 2 319.399 3.574 20 0 DHADLP Cc1ccc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCCC2)o1 ZINC000301885201 336336303 /nfs/dbraw/zinc/33/63/03/336336303.db2.gz OMUMJYQPGXITFO-INIZCTEOSA-N 2 2 310.401 3.713 20 0 DHADLP CCC[N@@H+]1CC[C@H](CNc2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000301981090 336341228 /nfs/dbraw/zinc/34/12/28/336341228.db2.gz IQMGSHJVTYVXRT-CQSZACIVSA-N 2 2 301.409 3.826 20 0 DHADLP CCC[N@H+]1CC[C@H](CNc2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000301981090 336341229 /nfs/dbraw/zinc/34/12/29/336341229.db2.gz IQMGSHJVTYVXRT-CQSZACIVSA-N 2 2 301.409 3.826 20 0 DHADLP Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2cccc(F)c2[nH+]1 ZINC000302731980 336366978 /nfs/dbraw/zinc/36/69/78/336366978.db2.gz MTRKCTBBBQDHHN-PBHICJAKSA-N 2 2 313.420 3.603 20 0 DHADLP Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2cccc(F)c2[nH+]1 ZINC000302731980 336366979 /nfs/dbraw/zinc/36/69/79/336366979.db2.gz MTRKCTBBBQDHHN-PBHICJAKSA-N 2 2 313.420 3.603 20 0 DHADLP CC(C)c1nc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000302788918 336369237 /nfs/dbraw/zinc/36/92/37/336369237.db2.gz XQEUIHREGHTSGP-CABCVRRESA-N 2 2 318.509 3.674 20 0 DHADLP CC(C)c1nc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000302788918 336369238 /nfs/dbraw/zinc/36/92/38/336369238.db2.gz XQEUIHREGHTSGP-CABCVRRESA-N 2 2 318.509 3.674 20 0 DHADLP CC(C)c1nc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000302788921 336369286 /nfs/dbraw/zinc/36/92/86/336369286.db2.gz XQEUIHREGHTSGP-LSDHHAIUSA-N 2 2 318.509 3.674 20 0 DHADLP CC(C)c1nc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000302788921 336369287 /nfs/dbraw/zinc/36/92/87/336369287.db2.gz XQEUIHREGHTSGP-LSDHHAIUSA-N 2 2 318.509 3.674 20 0 DHADLP c1cn(-c2csc(C[NH2+]C(C3CCC3)C3CCC3)c2)c[nH+]1 ZINC000353081866 336399951 /nfs/dbraw/zinc/39/99/51/336399951.db2.gz FVEUJLMMNGERPP-UHFFFAOYSA-N 2 2 301.459 3.992 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)C12CCCC2 ZINC000354411728 336469816 /nfs/dbraw/zinc/46/98/16/336469816.db2.gz MFRKXISAMGDQSL-ZWKOTPCHSA-N 2 2 302.462 3.650 20 0 DHADLP c1cncc(C[NH+]2CCC(Nc3ccc(C4CCC4)c[nH+]3)CC2)c1 ZINC000354576606 336475568 /nfs/dbraw/zinc/47/55/68/336475568.db2.gz ZYWSDKUHRJBWFC-UHFFFAOYSA-N 2 2 322.456 3.821 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c[nH+]1 ZINC000354578121 336475694 /nfs/dbraw/zinc/47/56/94/336475694.db2.gz YWEGBAPJIUYJKH-VQTJNVASSA-N 2 2 310.441 3.690 20 0 DHADLP Cc1ccc(CCC[NH2+]CCc2cc(F)c(F)c(F)c2)c[nH+]1 ZINC000354635239 336477038 /nfs/dbraw/zinc/47/70/38/336477038.db2.gz LBONRMVMBUMMRO-UHFFFAOYSA-N 2 2 308.347 3.572 20 0 DHADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000367224495 336539336 /nfs/dbraw/zinc/53/93/36/336539336.db2.gz MFTKPOQHRKPARH-ZFWWWQNUSA-N 2 2 303.837 3.635 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000358153288 336613552 /nfs/dbraw/zinc/61/35/52/336613552.db2.gz IDZNVVKVBQMAGZ-CVEARBPZSA-N 2 2 322.518 3.560 20 0 DHADLP C[C@@H]([NH2+][C@H]1COc2ccc(F)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358253217 336619698 /nfs/dbraw/zinc/61/96/98/336619698.db2.gz VQJZIVQGNYCRAO-ACJLOTCBSA-N 2 2 323.371 3.796 20 0 DHADLP CCSCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000359784265 336687540 /nfs/dbraw/zinc/68/75/40/336687540.db2.gz CIFYEYBWQQUHSL-KRWDZBQOSA-N 2 2 303.475 3.584 20 0 DHADLP COc1cccc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000361491890 336759109 /nfs/dbraw/zinc/75/91/09/336759109.db2.gz BGIQFMXUIWZCCO-HNNXBMFYSA-N 2 2 307.397 3.732 20 0 DHADLP CCC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(OC)cc1 ZINC000361967383 336780322 /nfs/dbraw/zinc/78/03/22/336780322.db2.gz SSYBDTFHLQTEAS-QZTJIDSGSA-N 2 2 322.518 3.563 20 0 DHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000362515357 336801643 /nfs/dbraw/zinc/80/16/43/336801643.db2.gz GHXNUWFVMRIZRN-UHFFFAOYSA-N 2 2 321.827 3.667 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCC(C)CC3)CC2)no1 ZINC000368112643 336838569 /nfs/dbraw/zinc/83/85/69/336838569.db2.gz MKENCUUIBIUAOE-GULBITTBSA-N 2 2 305.466 3.677 20 0 DHADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3cccs3)CC2)C(C)(C)O1 ZINC000368445908 336845028 /nfs/dbraw/zinc/84/50/28/336845028.db2.gz QBQKHMKKJUMZMS-MRXNPFEDSA-N 2 2 322.518 3.648 20 0 DHADLP CC(C)COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000370260248 336881044 /nfs/dbraw/zinc/88/10/44/336881044.db2.gz HATPFIAYMHPWHK-UHFFFAOYSA-N 2 2 313.445 3.544 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2ccccc2n1 ZINC000370668866 336890411 /nfs/dbraw/zinc/89/04/11/336890411.db2.gz ACVPTFJBYXLYBM-HNNXBMFYSA-N 2 2 320.440 3.661 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(F)cc1Cl)CCC2 ZINC000370714027 336891777 /nfs/dbraw/zinc/89/17/77/336891777.db2.gz FERSEHFOADNICB-ZDUSSCGKSA-N 2 2 307.800 3.651 20 0 DHADLP CC[C@H](C)[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373482318 336961768 /nfs/dbraw/zinc/96/17/68/336961768.db2.gz GNAOKCYDESKWMM-CZWNDGCPSA-N 2 2 306.416 3.816 20 0 DHADLP c1ccc(NCCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)[nH+]c1 ZINC000374325933 336987340 /nfs/dbraw/zinc/98/73/40/336987340.db2.gz NOPBCCIOHICBMM-AEFFLSMTSA-N 2 2 310.445 3.595 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374682249 336994876 /nfs/dbraw/zinc/99/48/76/336994876.db2.gz YVWGEKFHUXEQMX-CQSZACIVSA-N 2 2 301.409 3.750 20 0 DHADLP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000375063237 337002338 /nfs/dbraw/zinc/00/23/38/337002338.db2.gz VYUMDQHSPBULAY-YQVWRLOYSA-N 2 2 320.525 3.607 20 0 DHADLP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000375063237 337002339 /nfs/dbraw/zinc/00/23/39/337002339.db2.gz VYUMDQHSPBULAY-YQVWRLOYSA-N 2 2 320.525 3.607 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](CCC(C)C)c1ccoc1)C2 ZINC000375804215 337019907 /nfs/dbraw/zinc/01/99/07/337019907.db2.gz HEJQFQAZYNRFBJ-DLBZAZTESA-N 2 2 301.434 3.866 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)CC[N@@H+]1C ZINC000123488504 337048741 /nfs/dbraw/zinc/04/87/41/337048741.db2.gz CDPMHZKYZYRWDH-DZGCQCFKSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)CC[N@H+]1C ZINC000123488504 337048742 /nfs/dbraw/zinc/04/87/42/337048742.db2.gz CDPMHZKYZYRWDH-DZGCQCFKSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2c(Cl)ccc3cccnc32)CC[NH+]1C ZINC000123488504 337048743 /nfs/dbraw/zinc/04/87/43/337048743.db2.gz CDPMHZKYZYRWDH-DZGCQCFKSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2c(Cl)ccc3cccnc32)CC[NH+]1C ZINC000123488504 337048744 /nfs/dbraw/zinc/04/87/44/337048744.db2.gz CDPMHZKYZYRWDH-DZGCQCFKSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377256114 337049539 /nfs/dbraw/zinc/04/95/39/337049539.db2.gz JUTZQEGLEFUREC-WNHJNPCNSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377256114 337049540 /nfs/dbraw/zinc/04/95/40/337049540.db2.gz JUTZQEGLEFUREC-WNHJNPCNSA-N 2 2 315.505 3.879 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000377632989 337057066 /nfs/dbraw/zinc/05/70/66/337057066.db2.gz YSKOXGALIKLELZ-KBXCAEBGSA-N 2 2 321.428 3.802 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000377632989 337057067 /nfs/dbraw/zinc/05/70/67/337057067.db2.gz YSKOXGALIKLELZ-KBXCAEBGSA-N 2 2 321.428 3.802 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1F ZINC000377756234 337060310 /nfs/dbraw/zinc/06/03/10/337060310.db2.gz PURGHICXNYEUCJ-ZWNOBZJWSA-N 2 2 307.800 3.800 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Cl)c1F ZINC000377756234 337060311 /nfs/dbraw/zinc/06/03/11/337060311.db2.gz PURGHICXNYEUCJ-ZWNOBZJWSA-N 2 2 307.800 3.800 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cccs3)[C@H](C)C2)s1 ZINC000377790852 337061144 /nfs/dbraw/zinc/06/11/44/337061144.db2.gz KNCARQMAEYEYOW-WBMJQRKESA-N 2 2 321.515 3.513 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cccs3)[C@H](C)C2)s1 ZINC000377790852 337061145 /nfs/dbraw/zinc/06/11/45/337061145.db2.gz KNCARQMAEYEYOW-WBMJQRKESA-N 2 2 321.515 3.513 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cccs3)[C@@H](C)C2)s1 ZINC000377790847 337061149 /nfs/dbraw/zinc/06/11/49/337061149.db2.gz KNCARQMAEYEYOW-BLLLJJGKSA-N 2 2 321.515 3.513 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3cccs3)[C@@H](C)C2)s1 ZINC000377790847 337061150 /nfs/dbraw/zinc/06/11/50/337061150.db2.gz KNCARQMAEYEYOW-BLLLJJGKSA-N 2 2 321.515 3.513 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCS2 ZINC000377798887 337061351 /nfs/dbraw/zinc/06/13/51/337061351.db2.gz NYTOWDOYUJMNKB-ZFWWWQNUSA-N 2 2 313.470 3.711 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCS2 ZINC000377798887 337061352 /nfs/dbraw/zinc/06/13/52/337061352.db2.gz NYTOWDOYUJMNKB-ZFWWWQNUSA-N 2 2 313.470 3.711 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1Cl ZINC000377798689 337061384 /nfs/dbraw/zinc/06/13/84/337061384.db2.gz LMFIDEHHZNZSTN-ONGXEEELSA-N 2 2 310.228 3.925 20 0 DHADLP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000377798663 337061460 /nfs/dbraw/zinc/06/14/60/337061460.db2.gz LFBWXRKCYVZGBG-WCQYABFASA-N 2 2 319.836 3.588 20 0 DHADLP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000377798663 337061461 /nfs/dbraw/zinc/06/14/61/337061461.db2.gz LFBWXRKCYVZGBG-WCQYABFASA-N 2 2 319.836 3.588 20 0 DHADLP Fc1ccccc1[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000377802869 337061552 /nfs/dbraw/zinc/06/15/52/337061552.db2.gz OOYBGXLSVYJBEW-AUUYWEPGSA-N 2 2 313.420 3.927 20 0 DHADLP Fc1ccccc1[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000377802869 337061553 /nfs/dbraw/zinc/06/15/53/337061553.db2.gz OOYBGXLSVYJBEW-AUUYWEPGSA-N 2 2 313.420 3.927 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000377888242 337063438 /nfs/dbraw/zinc/06/34/38/337063438.db2.gz IXSPCQVSRDSIBW-LBPRGKRZSA-N 2 2 310.228 3.716 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000377888242 337063439 /nfs/dbraw/zinc/06/34/39/337063439.db2.gz IXSPCQVSRDSIBW-LBPRGKRZSA-N 2 2 310.228 3.716 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C)C2 ZINC000378609845 337076602 /nfs/dbraw/zinc/07/66/02/337076602.db2.gz LAKDIIPICULCHK-RDTXWAMCSA-N 2 2 319.399 3.771 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CC(c3cccc(F)c3)C1)CCC2 ZINC000378635147 337077258 /nfs/dbraw/zinc/07/72/58/337077258.db2.gz SUOOAHXRMCEFCY-HJOIGYKYSA-N 2 2 313.420 3.744 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H](c2ccco2)C1 ZINC000177360240 337155598 /nfs/dbraw/zinc/15/55/98/337155598.db2.gz SYSWWIHKXUYTKN-RDJZCZTQSA-N 2 2 322.412 3.834 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H](c2ccco2)C1 ZINC000177360240 337155599 /nfs/dbraw/zinc/15/55/99/337155599.db2.gz SYSWWIHKXUYTKN-RDJZCZTQSA-N 2 2 322.412 3.834 20 0 DHADLP CC(C)[C@H](CSc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000179963676 337172828 /nfs/dbraw/zinc/17/28/28/337172828.db2.gz QFIPMUBKRPKMBB-KRWDZBQOSA-N 2 2 303.475 3.680 20 0 DHADLP CC(C)c1cnc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000183128373 337189992 /nfs/dbraw/zinc/18/99/92/337189992.db2.gz OVKKISAICFIFEH-GDBMZVCRSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1cnc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000183128373 337189993 /nfs/dbraw/zinc/18/99/93/337189993.db2.gz OVKKISAICFIFEH-GDBMZVCRSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000183128373 337189995 /nfs/dbraw/zinc/18/99/95/337189995.db2.gz OVKKISAICFIFEH-GDBMZVCRSA-N 2 2 319.518 3.715 20 0 DHADLP C[C@@H]1C[C@@H](Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC[N@@H+]1C ZINC000182923817 337190760 /nfs/dbraw/zinc/19/07/60/337190760.db2.gz GTRZWKCPPDOCBU-QAPCUYQASA-N 2 2 324.472 3.781 20 0 DHADLP C[C@@H]1C[C@@H](Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC[N@H+]1C ZINC000182923817 337190761 /nfs/dbraw/zinc/19/07/61/337190761.db2.gz GTRZWKCPPDOCBU-QAPCUYQASA-N 2 2 324.472 3.781 20 0 DHADLP Fc1cccc(CC2([NH2+]Cc3cccc4[nH+]ccn43)CCC2)c1 ZINC000185230433 337203453 /nfs/dbraw/zinc/20/34/53/337203453.db2.gz ZVKKTFUCMLARQL-UHFFFAOYSA-N 2 2 309.388 3.728 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCOc3c(F)cccc32)CC1 ZINC000188050328 337270281 /nfs/dbraw/zinc/27/02/81/337270281.db2.gz YAAIQWJKNXUIJP-INIZCTEOSA-N 2 2 306.425 3.502 20 0 DHADLP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1nc(C(F)(F)F)cs1 ZINC000189932740 337283892 /nfs/dbraw/zinc/28/38/92/337283892.db2.gz OYOODNGVOPRLCB-NSHDSACASA-N 2 2 323.428 3.935 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H]3CCCc4c(O)cccc43)c[nH+]c12 ZINC000191659924 337298376 /nfs/dbraw/zinc/29/83/76/337298376.db2.gz DUNKSZBPXHDNHR-QGZVFWFLSA-N 2 2 307.397 3.516 20 0 DHADLP Cc1cnccc1C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397936871 337300930 /nfs/dbraw/zinc/30/09/30/337300930.db2.gz GWFVHUBGKYMMFX-FQEVSTJZSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1cnccc1C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397936871 337300931 /nfs/dbraw/zinc/30/09/31/337300931.db2.gz GWFVHUBGKYMMFX-FQEVSTJZSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000191896119 337300950 /nfs/dbraw/zinc/30/09/50/337300950.db2.gz JSEOOVXRTPULQL-INIZCTEOSA-N 2 2 306.413 3.559 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000191896119 337300951 /nfs/dbraw/zinc/30/09/51/337300951.db2.gz JSEOOVXRTPULQL-INIZCTEOSA-N 2 2 306.413 3.559 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000192133990 337303148 /nfs/dbraw/zinc/30/31/48/337303148.db2.gz MDQVJZUENHZYTF-HXUWFJFHSA-N 2 2 318.424 3.913 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000192133990 337303149 /nfs/dbraw/zinc/30/31/49/337303149.db2.gz MDQVJZUENHZYTF-HXUWFJFHSA-N 2 2 318.424 3.913 20 0 DHADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccccc1 ZINC000192155130 337303442 /nfs/dbraw/zinc/30/34/42/337303442.db2.gz STQQVDVNJPWTLO-HXUWFJFHSA-N 2 2 321.424 3.658 20 0 DHADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCO[C@H]3c3ccccc3)c[nH+]c12 ZINC000192374264 337304905 /nfs/dbraw/zinc/30/49/05/337304905.db2.gz PQZIZFMWPQEFPU-HKUYNNGSSA-N 2 2 321.424 3.510 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000583318784 337314983 /nfs/dbraw/zinc/31/49/83/337314983.db2.gz HSDNTZHQGYANOK-MRXNPFEDSA-N 2 2 305.381 3.596 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000583901402 337384930 /nfs/dbraw/zinc/38/49/30/337384930.db2.gz BRVFBYPVAWCGHZ-HRCADAONSA-N 2 2 315.848 3.846 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000583901402 337384931 /nfs/dbraw/zinc/38/49/31/337384931.db2.gz BRVFBYPVAWCGHZ-HRCADAONSA-N 2 2 315.848 3.846 20 0 DHADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)c1cccc(-c2ccncc2)c1 ZINC000128286872 337424732 /nfs/dbraw/zinc/42/47/32/337424732.db2.gz JMVRAPVJWHBWTA-QGZVFWFLSA-N 2 2 309.457 3.885 20 0 DHADLP CCCCOCCC[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000132009486 337439689 /nfs/dbraw/zinc/43/96/89/337439689.db2.gz CUWCBKJVTJWVAE-UHFFFAOYSA-N 2 2 322.468 3.587 20 0 DHADLP Cc1cc(C)c(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000069710614 337545902 /nfs/dbraw/zinc/54/59/02/337545902.db2.gz MBDLDSZFMPNFCA-UHFFFAOYSA-N 2 2 323.484 3.761 20 0 DHADLP CCC(CC)(C[NH2+][C@H](C)C[C@@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422756770 337685346 /nfs/dbraw/zinc/68/53/46/337685346.db2.gz HJGINWCHLKZLJO-BRWVUGGUSA-N 3 2 305.510 3.611 20 0 DHADLP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422772758 337685874 /nfs/dbraw/zinc/68/58/74/337685874.db2.gz XRNCEGFIBUPTQQ-HOTGVXAUSA-N 2 2 302.805 3.583 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)c2ccccc21 ZINC000422778077 337686120 /nfs/dbraw/zinc/68/61/20/337686120.db2.gz HEOSDEZYUUXHOD-FYQPLNBISA-N 2 2 308.425 3.641 20 0 DHADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)oc21 ZINC000422795030 337687047 /nfs/dbraw/zinc/68/70/47/337687047.db2.gz ZLVVDBYFZLEUJY-GZBFAFLISA-N 2 2 302.418 3.623 20 0 DHADLP COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)s2)cc1 ZINC000422825573 337688236 /nfs/dbraw/zinc/68/82/36/337688236.db2.gz PZXSSHNLZIKLRG-SUMWQHHRSA-N 2 2 316.470 3.654 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1COCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422867708 337689225 /nfs/dbraw/zinc/68/92/25/337689225.db2.gz SZLJHLGOSXNPCI-LAUBAEHRSA-N 2 2 324.468 3.634 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422876492 337689716 /nfs/dbraw/zinc/68/97/16/337689716.db2.gz QDHVNRQEIFGDQW-CVEARBPZSA-N 2 2 318.367 3.831 20 0 DHADLP [NH3+][C@H]1C[C@H](Nc2ccc(N3CCCCC3)c[nH+]2)c2ccccc21 ZINC000422918566 337691491 /nfs/dbraw/zinc/69/14/91/337691491.db2.gz HOZAPEYSXOUMQP-ROUUACIJSA-N 2 2 308.429 3.629 20 0 DHADLP CSc1cccc(F)c1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423109762 337699968 /nfs/dbraw/zinc/69/99/68/337699968.db2.gz TVLGPMSMOLTDAQ-DYVFJYSZSA-N 2 2 318.461 3.596 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1OCc1ccccc1 ZINC000423195429 337703362 /nfs/dbraw/zinc/70/33/62/337703362.db2.gz SMMVDWICSFVKAD-WMZOPIPTSA-N 2 2 310.441 3.668 20 0 DHADLP C[NH2+]CC[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423226598 337705819 /nfs/dbraw/zinc/70/58/19/337705819.db2.gz RKLXPFMEBVJCLV-QMMMGPOBSA-N 2 2 314.273 3.594 20 0 DHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000423264689 337708113 /nfs/dbraw/zinc/70/81/13/337708113.db2.gz QCKDAQMFTGXCLL-CHWSQXEVSA-N 2 2 300.393 3.620 20 0 DHADLP CC(C)([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423286244 337709624 /nfs/dbraw/zinc/70/96/24/337709624.db2.gz GFXJEIGJLNBVIQ-MRXNPFEDSA-N 2 2 320.383 3.704 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423328502 337712166 /nfs/dbraw/zinc/71/21/66/337712166.db2.gz DSNPROOHPOAAAM-KDOFPFPSSA-N 2 2 315.486 3.850 20 0 DHADLP [NH3+]C1(C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CCC1 ZINC000423325722 337715149 /nfs/dbraw/zinc/71/51/49/337715149.db2.gz LKKMOBJQMBPNAB-SECBINFHSA-N 2 2 305.274 3.903 20 0 DHADLP C[C@@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)C1CCSCC1 ZINC000423405816 337715884 /nfs/dbraw/zinc/71/58/84/337715884.db2.gz TZGJMFTYBHZCAH-AUUYWEPGSA-N 2 2 314.498 3.961 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423389346 337718289 /nfs/dbraw/zinc/71/82/89/337718289.db2.gz JJKKDBKBYUMTKF-VDGAXYAQSA-N 2 2 312.457 3.634 20 0 DHADLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)c(Cl)c1Cl ZINC000423445113 337719573 /nfs/dbraw/zinc/71/95/73/337719573.db2.gz XKYPXLOLCBDXRA-HEXRFXHZSA-N 2 2 305.636 3.515 20 0 DHADLP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423479509 337721895 /nfs/dbraw/zinc/72/18/95/337721895.db2.gz VOGCGBOFGQFJCJ-ICSRJNTNSA-N 2 2 323.415 3.790 20 0 DHADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1nc(-c2ccccc2)cs1 ZINC000423525759 337724564 /nfs/dbraw/zinc/72/45/64/337724564.db2.gz KPWCQNNUVGHRPK-ZDUSSCGKSA-N 2 2 301.459 3.603 20 0 DHADLP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000423533389 337724574 /nfs/dbraw/zinc/72/45/74/337724574.db2.gz SWMHPXHYHUHOBL-OKZBNKHCSA-N 2 2 310.466 3.569 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423542333 337725234 /nfs/dbraw/zinc/72/52/34/337725234.db2.gz ATBNVBRLTGBODV-OCCSQVGLSA-N 2 2 314.445 3.837 20 0 DHADLP c1c2ccccc2oc1[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccnc1 ZINC000423566250 337725555 /nfs/dbraw/zinc/72/55/55/337725555.db2.gz TWPBRQMVCBMMPE-FQEVSTJZSA-N 2 2 321.424 3.649 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ncccc1F ZINC000528036537 337782581 /nfs/dbraw/zinc/78/25/81/337782581.db2.gz RQXBLQANFAEPLQ-VYDXJSESSA-N 2 2 319.468 3.914 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000120653395 337877128 /nfs/dbraw/zinc/87/71/28/337877128.db2.gz BXTKCGDKDKDCEK-GFCCVEGCSA-N 2 2 315.367 3.974 20 0 DHADLP CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000091264076 337890796 /nfs/dbraw/zinc/89/07/96/337890796.db2.gz IXUHATDCNRWJRI-HNNXBMFYSA-N 2 2 311.351 3.889 20 0 DHADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1sccc1Br ZINC000514855214 337972265 /nfs/dbraw/zinc/97/22/65/337972265.db2.gz RSCVZFNXDFFYFK-BXKDBHETSA-N 2 2 317.296 3.679 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000514846985 337972986 /nfs/dbraw/zinc/97/29/86/337972986.db2.gz LGIORMGKSORYSF-UHFFFAOYSA-N 2 2 319.412 3.546 20 0 DHADLP Cc1ccn2cc(CNc3cc(C)[nH+]c4ccccc34)[nH+]c2c1 ZINC000515922852 338001216 /nfs/dbraw/zinc/00/12/16/338001216.db2.gz LWUMKZRDCBCXCT-UHFFFAOYSA-N 2 2 302.381 3.533 20 0 DHADLP CCCc1csc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000426412000 338031177 /nfs/dbraw/zinc/03/11/77/338031177.db2.gz SOFSQIFUIPYDBN-INIZCTEOSA-N 2 2 307.507 3.546 20 0 DHADLP CCCc1csc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000426412000 338031178 /nfs/dbraw/zinc/03/11/78/338031178.db2.gz SOFSQIFUIPYDBN-INIZCTEOSA-N 2 2 307.507 3.546 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c[nH+]1 ZINC000428270829 338045000 /nfs/dbraw/zinc/04/50/00/338045000.db2.gz WFEYTMLXEHAHRM-MJGOQNOKSA-N 3 2 315.505 3.565 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c[nH+]1 ZINC000428270829 338045001 /nfs/dbraw/zinc/04/50/01/338045001.db2.gz WFEYTMLXEHAHRM-MJGOQNOKSA-N 3 2 315.505 3.565 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cnc(C)cn2)cc1 ZINC000428344049 338048097 /nfs/dbraw/zinc/04/80/97/338048097.db2.gz AJSKJMGHLIVINH-HUUCEWRRSA-N 2 2 321.428 3.691 20 0 DHADLP Cc1ccc2[nH+]ccc(N(C)Cc3cn4c([nH+]3)CCCC4)c2c1 ZINC000428666720 338058168 /nfs/dbraw/zinc/05/81/68/338058168.db2.gz SEDHOEGFDZCAAN-UHFFFAOYSA-N 2 2 306.413 3.712 20 0 DHADLP CCc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)c2ccccc2[nH+]1 ZINC000428679954 338058339 /nfs/dbraw/zinc/05/83/39/338058339.db2.gz MKAWPRHCPCTBOF-UHFFFAOYSA-N 2 2 320.440 3.966 20 0 DHADLP C[N@@H+]1CC[C@]2(CC[NH+](CCc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000429021349 338069014 /nfs/dbraw/zinc/06/90/14/338069014.db2.gz QEFRHWJLGHOKJR-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP C[N@H+]1CC[C@]2(CC[NH+](CCc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000429021349 338069015 /nfs/dbraw/zinc/06/90/15/338069015.db2.gz QEFRHWJLGHOKJR-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@H+](CCc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000429021349 338069016 /nfs/dbraw/zinc/06/90/16/338069016.db2.gz QEFRHWJLGHOKJR-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@@H+](CCc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000429021349 338069017 /nfs/dbraw/zinc/06/90/17/338069017.db2.gz QEFRHWJLGHOKJR-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H](C)CC2(OC)CCC2)[NH+](C)C)cc1 ZINC000429369985 338078880 /nfs/dbraw/zinc/07/88/80/338078880.db2.gz ZRGUEZQYMCFKCN-APWZRJJASA-N 2 2 318.505 3.789 20 0 DHADLP CC(C)[C@@H]1[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12CCC2 ZINC000430107047 338096987 /nfs/dbraw/zinc/09/69/87/338096987.db2.gz SLJJXOORYHIAFJ-INIZCTEOSA-N 2 2 301.459 3.944 20 0 DHADLP CC(C)[C@@H]1[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12CCC2 ZINC000430107047 338096988 /nfs/dbraw/zinc/09/69/88/338096988.db2.gz SLJJXOORYHIAFJ-INIZCTEOSA-N 2 2 301.459 3.944 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000430581334 338109172 /nfs/dbraw/zinc/10/91/72/338109172.db2.gz HEEMHKDOSGMRTG-INIZCTEOSA-N 2 2 321.465 3.754 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000430581334 338109173 /nfs/dbraw/zinc/10/91/73/338109173.db2.gz HEEMHKDOSGMRTG-INIZCTEOSA-N 2 2 321.465 3.754 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000430584165 338109257 /nfs/dbraw/zinc/10/92/57/338109257.db2.gz OCOZFDYSZPOFPY-CHWSQXEVSA-N 2 2 324.419 3.798 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000430584165 338109258 /nfs/dbraw/zinc/10/92/58/338109258.db2.gz OCOZFDYSZPOFPY-CHWSQXEVSA-N 2 2 324.419 3.798 20 0 DHADLP CC(C)c1ccc(-c2nc(C[NH+]3CCC([NH3+])CC3)cs2)cc1 ZINC000430632234 338110191 /nfs/dbraw/zinc/11/01/91/338110191.db2.gz WXZABZQXNWTCOE-UHFFFAOYSA-N 2 2 315.486 3.857 20 0 DHADLP Clc1ccc(CCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000431148418 338124084 /nfs/dbraw/zinc/12/40/84/338124084.db2.gz GQTDWJJLCBZOTK-SFHVURJKSA-N 2 2 316.832 3.821 20 0 DHADLP Clc1ccc(CCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000431148418 338124085 /nfs/dbraw/zinc/12/40/85/338124085.db2.gz GQTDWJJLCBZOTK-SFHVURJKSA-N 2 2 316.832 3.821 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432231479 338149297 /nfs/dbraw/zinc/14/92/97/338149297.db2.gz HULHMYYAKRHNBD-LLVKDONJSA-N 2 2 319.251 3.954 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432231479 338149298 /nfs/dbraw/zinc/14/92/98/338149298.db2.gz HULHMYYAKRHNBD-LLVKDONJSA-N 2 2 319.251 3.954 20 0 DHADLP Fc1ccc2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)sc2c1 ZINC000432744812 338165842 /nfs/dbraw/zinc/16/58/42/338165842.db2.gz NVYALHDEMPZXQJ-UHFFFAOYSA-N 2 2 316.405 3.538 20 0 DHADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000432753774 338166447 /nfs/dbraw/zinc/16/64/47/338166447.db2.gz WQYBEPHEHRKTOA-GFCCVEGCSA-N 2 2 318.408 3.685 20 0 DHADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000432753774 338166448 /nfs/dbraw/zinc/16/64/48/338166448.db2.gz WQYBEPHEHRKTOA-GFCCVEGCSA-N 2 2 318.408 3.685 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3s2)[C@H](C)C1 ZINC000432753572 338166599 /nfs/dbraw/zinc/16/65/99/338166599.db2.gz VGYCATMMDSQIEV-DOMZBBRYSA-N 2 2 321.465 3.598 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3s2)[C@H](C)C1 ZINC000432753572 338166600 /nfs/dbraw/zinc/16/66/00/338166600.db2.gz VGYCATMMDSQIEV-DOMZBBRYSA-N 2 2 321.465 3.598 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(F)cc3s2)[C@H](C)C1 ZINC000432753572 338166601 /nfs/dbraw/zinc/16/66/01/338166601.db2.gz VGYCATMMDSQIEV-DOMZBBRYSA-N 2 2 321.465 3.598 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(F)cc3s2)[C@H](C)C1 ZINC000432753572 338166602 /nfs/dbraw/zinc/16/66/02/338166602.db2.gz VGYCATMMDSQIEV-DOMZBBRYSA-N 2 2 321.465 3.598 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000432754718 338166660 /nfs/dbraw/zinc/16/66/60/338166660.db2.gz NHJGZXWKBFXKAV-GHMZBOCLSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)CC[N@H+]1C ZINC000432754718 338166661 /nfs/dbraw/zinc/16/66/61/338166661.db2.gz NHJGZXWKBFXKAV-GHMZBOCLSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)CC[NH+]1C ZINC000432754718 338166662 /nfs/dbraw/zinc/16/66/62/338166662.db2.gz NHJGZXWKBFXKAV-GHMZBOCLSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)CC[NH+]1C ZINC000432754718 338166663 /nfs/dbraw/zinc/16/66/63/338166663.db2.gz NHJGZXWKBFXKAV-GHMZBOCLSA-N 2 2 306.397 3.681 20 0 DHADLP Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)s2)o1 ZINC000432783910 338167365 /nfs/dbraw/zinc/16/73/65/338167365.db2.gz DSQIRAPJURDXBU-AWEZNQCLSA-N 2 2 319.474 3.628 20 0 DHADLP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)s2)o1 ZINC000432783910 338167366 /nfs/dbraw/zinc/16/73/66/338167366.db2.gz DSQIRAPJURDXBU-AWEZNQCLSA-N 2 2 319.474 3.628 20 0 DHADLP COC1CCC([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000152951003 338214500 /nfs/dbraw/zinc/21/45/00/338214500.db2.gz ICPAZIPDLIZYBV-MHJFOBGBSA-N 2 2 316.489 3.588 20 0 DHADLP COC1CCC([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000152951003 338214501 /nfs/dbraw/zinc/21/45/01/338214501.db2.gz ICPAZIPDLIZYBV-MHJFOBGBSA-N 2 2 316.489 3.588 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2cccc(Cl)c2Cl)C1 ZINC000434536835 338219741 /nfs/dbraw/zinc/21/97/41/338219741.db2.gz WRGVDGFVJRCLHH-ZDUSSCGKSA-N 2 2 315.288 3.810 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cccc(Cl)c2Cl)C1 ZINC000434536835 338219742 /nfs/dbraw/zinc/21/97/42/338219742.db2.gz WRGVDGFVJRCLHH-ZDUSSCGKSA-N 2 2 315.288 3.810 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434536835 338219743 /nfs/dbraw/zinc/21/97/43/338219743.db2.gz WRGVDGFVJRCLHH-ZDUSSCGKSA-N 2 2 315.288 3.810 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434536835 338219744 /nfs/dbraw/zinc/21/97/44/338219744.db2.gz WRGVDGFVJRCLHH-ZDUSSCGKSA-N 2 2 315.288 3.810 20 0 DHADLP COc1cc(Cl)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000435439441 338240164 /nfs/dbraw/zinc/24/01/64/338240164.db2.gz VCLNFLCDUDHBNH-GFCCVEGCSA-N 2 2 317.260 3.576 20 0 DHADLP COc1cc(Cl)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000435439441 338240165 /nfs/dbraw/zinc/24/01/65/338240165.db2.gz VCLNFLCDUDHBNH-GFCCVEGCSA-N 2 2 317.260 3.576 20 0 DHADLP CC1(C)CCc2ccccc2[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000436282593 338265585 /nfs/dbraw/zinc/26/55/85/338265585.db2.gz HQPZMROOQGMKPA-AEFFLSMTSA-N 2 2 309.457 3.891 20 0 DHADLP C[C@@H](C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000437745128 338319952 /nfs/dbraw/zinc/31/99/52/338319952.db2.gz KSHRHZRGPXCRCD-LPHOPBHVSA-N 2 2 304.453 3.880 20 0 DHADLP C[C@@H](C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000437745128 338319953 /nfs/dbraw/zinc/31/99/53/338319953.db2.gz KSHRHZRGPXCRCD-LPHOPBHVSA-N 2 2 304.453 3.880 20 0 DHADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)c1ccc(F)cc1 ZINC000438082422 338330377 /nfs/dbraw/zinc/33/03/77/338330377.db2.gz UYYKYGAVISFWSQ-UZLBHIALSA-N 2 2 314.448 3.692 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]CCCCOc2ccccc2)c[nH+]1 ZINC000438209032 338336702 /nfs/dbraw/zinc/33/67/02/338336702.db2.gz CDQAKGZSGJNULJ-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP FC1(c2cccc(Cl)c2)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000439312974 338366762 /nfs/dbraw/zinc/36/67/62/338366762.db2.gz DNGBEDQNLRNHAR-UHFFFAOYSA-N 2 2 321.827 3.887 20 0 DHADLP Cc1ccc(F)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000447077354 338544635 /nfs/dbraw/zinc/54/46/35/338544635.db2.gz NNRQLMSDUOBBRL-UHFFFAOYSA-N 2 2 314.404 3.881 20 0 DHADLP CC(C)(C)c1cnc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000447944317 338572538 /nfs/dbraw/zinc/57/25/38/338572538.db2.gz RCODEDYCYBLFAT-UHFFFAOYSA-N 2 2 309.523 3.839 20 0 DHADLP C[C@@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1cc(F)cc(F)c1 ZINC000449033598 338585955 /nfs/dbraw/zinc/58/59/55/338585955.db2.gz FDVQSNTXFINLEX-LBPRGKRZSA-N 2 2 305.372 3.671 20 0 DHADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000449078760 338591430 /nfs/dbraw/zinc/59/14/30/338591430.db2.gz YLDYJVBLCSOCBL-ZHALLVOQSA-N 2 2 311.473 3.888 20 0 DHADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C1 ZINC000449170332 338599020 /nfs/dbraw/zinc/59/90/20/338599020.db2.gz IGSDAIYNQYHCIU-SCRDCRAPSA-N 2 2 312.379 3.554 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449208047 338602487 /nfs/dbraw/zinc/60/24/87/338602487.db2.gz NPISPASMYABPNA-CQSZACIVSA-N 2 2 306.331 3.627 20 0 DHADLP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000449259430 338607661 /nfs/dbraw/zinc/60/76/61/338607661.db2.gz QWGRQVOGZQQUSF-PVAVHDDUSA-N 2 2 315.848 3.777 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CSC[C@@H]3C)ccc2n1C1CC1 ZINC000449309863 338611690 /nfs/dbraw/zinc/61/16/90/338611690.db2.gz FNKBHMAVAGZNPI-BLLLJJGKSA-N 2 2 315.486 3.775 20 0 DHADLP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000449777581 338652041 /nfs/dbraw/zinc/65/20/41/338652041.db2.gz QGYONAMVUORAKL-KRWDZBQOSA-N 2 2 309.457 3.705 20 0 DHADLP CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453411980 338840099 /nfs/dbraw/zinc/84/00/99/338840099.db2.gz SDPDAANDULTECP-KFKAGJAMSA-N 2 2 313.445 3.871 20 0 DHADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCc2c[nH+]cn2C)o1 ZINC000459367937 339025001 /nfs/dbraw/zinc/02/50/01/339025001.db2.gz VTQOHXWOEMQDSP-PBHICJAKSA-N 2 2 301.434 3.591 20 0 DHADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCc2c[nH+]cn2C)o1 ZINC000459367937 339025002 /nfs/dbraw/zinc/02/50/02/339025002.db2.gz VTQOHXWOEMQDSP-PBHICJAKSA-N 2 2 301.434 3.591 20 0 DHADLP CC(C)c1ccc(C[C@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000459405428 339027399 /nfs/dbraw/zinc/02/73/99/339027399.db2.gz SNZJUJFYHAJLDR-GOSISDBHSA-N 2 2 311.473 3.651 20 0 DHADLP CC(C)c1ccc(C[C@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)cc1 ZINC000459405428 339027400 /nfs/dbraw/zinc/02/74/00/339027400.db2.gz SNZJUJFYHAJLDR-GOSISDBHSA-N 2 2 311.473 3.651 20 0 DHADLP Clc1cccc(CC[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000459410616 339027681 /nfs/dbraw/zinc/02/76/81/339027681.db2.gz SRBHVVPBOUTQHT-UHFFFAOYSA-N 2 2 303.837 3.759 20 0 DHADLP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459662772 339041431 /nfs/dbraw/zinc/04/14/31/339041431.db2.gz NYIUSZRNUOULHF-GOSISDBHSA-N 2 2 319.880 3.863 20 0 DHADLP FC(F)C1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000459720454 339044224 /nfs/dbraw/zinc/04/42/24/339044224.db2.gz XCTJAFSLKJASGM-UHFFFAOYSA-N 2 2 311.401 3.847 20 0 DHADLP Cc1[nH+]c2ccccn2c1CNc1ccc(C[NH+](C)C)c(C)c1 ZINC000459744995 339045806 /nfs/dbraw/zinc/04/58/06/339045806.db2.gz RSTUDPIVIIUIJF-UHFFFAOYSA-N 2 2 308.429 3.625 20 0 DHADLP Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)ccc1C[NH+](C)C ZINC000459755050 339046415 /nfs/dbraw/zinc/04/64/15/339046415.db2.gz JNUHHJREAZGZPC-UHFFFAOYSA-N 2 2 324.472 3.664 20 0 DHADLP CCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000166943006 339053393 /nfs/dbraw/zinc/05/33/93/339053393.db2.gz INCPGIQKCGSFGX-CQSZACIVSA-N 2 2 319.792 3.593 20 0 DHADLP Cc1cccc2c1[nH+]cc(C)c2N1CCC[N@H+](CC(F)F)CC1 ZINC000462690218 339084296 /nfs/dbraw/zinc/08/42/96/339084296.db2.gz HBHKOWVZDKWJHT-UHFFFAOYSA-N 2 2 319.399 3.629 20 0 DHADLP Cc1cccc2c1[nH+]cc(C)c2N1CCC[N@@H+](CC(F)F)CC1 ZINC000462690218 339084297 /nfs/dbraw/zinc/08/42/97/339084297.db2.gz HBHKOWVZDKWJHT-UHFFFAOYSA-N 2 2 319.399 3.629 20 0 DHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000462898627 339096687 /nfs/dbraw/zinc/09/66/87/339096687.db2.gz WFAQDMGKGBJHHN-CVEARBPZSA-N 2 2 313.489 3.908 20 0 DHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000462898627 339096688 /nfs/dbraw/zinc/09/66/88/339096688.db2.gz WFAQDMGKGBJHHN-CVEARBPZSA-N 2 2 313.489 3.908 20 0 DHADLP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1(C)C ZINC000463023820 339101051 /nfs/dbraw/zinc/10/10/51/339101051.db2.gz MSTSTIUWTFSCLO-IAGOWNOFSA-N 2 2 315.461 3.677 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H]1CSC[C@H]1C ZINC000463191584 339108762 /nfs/dbraw/zinc/10/87/62/339108762.db2.gz ISAAEPQMXWHJLH-PBHICJAKSA-N 2 2 317.502 3.856 20 0 DHADLP CC1(C)CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000463280755 339113150 /nfs/dbraw/zinc/11/31/50/339113150.db2.gz MUWSIQXQRGLQRH-CQSZACIVSA-N 2 2 306.416 3.962 20 0 DHADLP CCc1ccc(-c2ccc(C[NH2+][C@H](C)CC[NH+](C)C)o2)cc1 ZINC000465009221 339165301 /nfs/dbraw/zinc/16/53/01/339165301.db2.gz CEBDTEGYCOZNSB-OAHLLOKOSA-N 2 2 300.446 3.939 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC000467356528 339233775 /nfs/dbraw/zinc/23/37/75/339233775.db2.gz WUERKKUWQXSQAG-QXAKKESOSA-N 2 2 315.505 3.738 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000467356528 339233776 /nfs/dbraw/zinc/23/37/76/339233776.db2.gz WUERKKUWQXSQAG-QXAKKESOSA-N 2 2 315.505 3.738 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C1 ZINC000467378393 339235374 /nfs/dbraw/zinc/23/53/74/339235374.db2.gz VHASRTQVDGTZQY-CEXWTWQISA-N 2 2 317.521 3.982 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000471612156 339349490 /nfs/dbraw/zinc/34/94/90/339349490.db2.gz RSRXYBKEUNUZIG-ZLGUVYLKSA-N 2 2 308.469 3.825 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000471622114 339349835 /nfs/dbraw/zinc/34/98/35/339349835.db2.gz XWKVOASNOSHPOF-IWMITWMQSA-N 2 2 324.468 3.964 20 0 DHADLP CCOc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000472068643 339362219 /nfs/dbraw/zinc/36/22/19/339362219.db2.gz FVVNHHXVDMHUNT-UZLBHIALSA-N 2 2 312.457 3.866 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000472598491 339374926 /nfs/dbraw/zinc/37/49/26/339374926.db2.gz RHCGMLPJJQVHQB-JXFKEZNVSA-N 2 2 310.441 3.647 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000472598491 339374927 /nfs/dbraw/zinc/37/49/27/339374927.db2.gz RHCGMLPJJQVHQB-JXFKEZNVSA-N 2 2 310.441 3.647 20 0 DHADLP CC(C)[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000474877940 339429491 /nfs/dbraw/zinc/42/94/91/339429491.db2.gz NOSGPTUTLIXLPB-IBGZPJMESA-N 2 2 307.441 3.906 20 0 DHADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC(C)(C)[NH+](C)C)cc1F ZINC000479871226 339551895 /nfs/dbraw/zinc/55/18/95/339551895.db2.gz CYCDUZLKIRSWKJ-DOTOQJQBSA-N 2 2 322.468 3.790 20 0 DHADLP CC(C)(C[NH2+]Cc1csc(C(C)(C)C)n1)C[NH+]1CCCC1 ZINC000480925631 339591062 /nfs/dbraw/zinc/59/10/62/339591062.db2.gz JOCIGUCECRFGRT-UHFFFAOYSA-N 2 2 309.523 3.652 20 0 DHADLP COc1cccc([C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000481952855 339617737 /nfs/dbraw/zinc/61/77/37/339617737.db2.gz VVENPRWISHDKHX-JXFKEZNVSA-N 2 2 312.457 3.957 20 0 DHADLP C[C@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)Cc1ccccc1 ZINC000482199609 339625960 /nfs/dbraw/zinc/62/59/60/339625960.db2.gz PUYLYPLBQTUTAF-INIZCTEOSA-N 2 2 307.441 3.964 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CC1(C)C ZINC000486989820 339741785 /nfs/dbraw/zinc/74/17/85/339741785.db2.gz UVKHOLVIHGDCIM-KBXCAEBGSA-N 2 2 304.453 3.814 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488459984 339783794 /nfs/dbraw/zinc/78/37/94/339783794.db2.gz OPTBXGYLXJWCMQ-YOEHRIQHSA-N 2 2 317.502 3.855 20 0 DHADLP O=C(/C=C/Sc1ccccc1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491850387 339885153 /nfs/dbraw/zinc/88/51/53/339885153.db2.gz XKEHOEQAEYMOLZ-YRNVUSSQSA-N 2 2 322.393 3.512 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)[C@H](c1ccccc1)[NH+](C)C ZINC000494782690 339960058 /nfs/dbraw/zinc/96/00/58/339960058.db2.gz MZOHRTOYZKAISE-LDQXTDLNSA-N 2 2 324.468 3.661 20 0 DHADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000499525340 340038768 /nfs/dbraw/zinc/03/87/68/340038768.db2.gz ZQFNTCVCWOWALD-QWFCFKBJSA-N 2 2 322.537 3.921 20 0 DHADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000499525340 340038769 /nfs/dbraw/zinc/03/87/69/340038769.db2.gz ZQFNTCVCWOWALD-QWFCFKBJSA-N 2 2 322.537 3.921 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000502453064 340104092 /nfs/dbraw/zinc/10/40/92/340104092.db2.gz JVJZTEYCWXMXMT-LCLWPZTBSA-N 2 2 318.505 3.781 20 0 DHADLP Cc1ccc(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503375241 340126732 /nfs/dbraw/zinc/12/67/32/340126732.db2.gz KNPGULIEXPKDGH-IBGZPJMESA-N 2 2 323.484 3.950 20 0 DHADLP Cc1ccc(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503375241 340126733 /nfs/dbraw/zinc/12/67/33/340126733.db2.gz KNPGULIEXPKDGH-IBGZPJMESA-N 2 2 323.484 3.950 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000507498515 340222872 /nfs/dbraw/zinc/22/28/72/340222872.db2.gz VSNRUHREQXDJFK-MRXNPFEDSA-N 2 2 303.494 3.949 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000507498515 340222873 /nfs/dbraw/zinc/22/28/73/340222873.db2.gz VSNRUHREQXDJFK-MRXNPFEDSA-N 2 2 303.494 3.949 20 0 DHADLP Cc1cc(C)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000508687792 340250745 /nfs/dbraw/zinc/25/07/45/340250745.db2.gz BEOXSGVOFVRBTR-GOSISDBHSA-N 2 2 311.473 3.800 20 0 DHADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000508687792 340250746 /nfs/dbraw/zinc/25/07/46/340250746.db2.gz BEOXSGVOFVRBTR-GOSISDBHSA-N 2 2 311.473 3.800 20 0 DHADLP Cc1cc(Cl)cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000508862873 340254728 /nfs/dbraw/zinc/25/47/28/340254728.db2.gz ZIRBAKAYCNZELD-INIZCTEOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(Cl)cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000508862873 340254729 /nfs/dbraw/zinc/25/47/29/340254729.db2.gz ZIRBAKAYCNZELD-INIZCTEOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000508862873 340254730 /nfs/dbraw/zinc/25/47/30/340254730.db2.gz ZIRBAKAYCNZELD-INIZCTEOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000508862873 340254731 /nfs/dbraw/zinc/25/47/31/340254731.db2.gz ZIRBAKAYCNZELD-INIZCTEOSA-N 2 2 306.881 3.812 20 0 DHADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)CC(F)(F)F ZINC000402799255 340265539 /nfs/dbraw/zinc/26/55/39/340265539.db2.gz WWIVKBLXZAGNEC-LZWOXQAQSA-N 2 2 314.395 3.685 20 0 DHADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)CC(F)(F)F ZINC000402799255 340265540 /nfs/dbraw/zinc/26/55/40/340265540.db2.gz WWIVKBLXZAGNEC-LZWOXQAQSA-N 2 2 314.395 3.685 20 0 DHADLP Cc1cc([C@H](C)[NH2+]CC[NH+]2CCCC2)sc1Br ZINC000510256477 340294391 /nfs/dbraw/zinc/29/43/91/340294391.db2.gz OLNLVPBAUBMVRJ-NSHDSACASA-N 2 2 317.296 3.565 20 0 DHADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)Cc2ccccc2C1 ZINC000510719368 340307975 /nfs/dbraw/zinc/30/79/75/340307975.db2.gz JNRXSKQZRWULPQ-VQIMIIECSA-N 2 2 318.480 3.594 20 0 DHADLP C([NH2+][C@H]1CC[C@@H]1C1CCC1)C1([NH+]2CCSCC2)CCCC1 ZINC000510723519 340308200 /nfs/dbraw/zinc/30/82/00/340308200.db2.gz RLJNTZVYXLQRKP-SJORKVTESA-N 2 2 308.535 3.516 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000303374948 340323927 /nfs/dbraw/zinc/32/39/27/340323927.db2.gz GTMCOWBGARIKFM-LPHOPBHVSA-N 2 2 310.441 3.620 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000303374948 340323928 /nfs/dbraw/zinc/32/39/28/340323928.db2.gz GTMCOWBGARIKFM-LPHOPBHVSA-N 2 2 310.441 3.620 20 0 DHADLP COc1ccsc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512194955 340351984 /nfs/dbraw/zinc/35/19/84/340351984.db2.gz MKQJQIOPQOCDND-HOTGVXAUSA-N 2 2 322.518 3.843 20 0 DHADLP COc1ccsc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512194955 340351985 /nfs/dbraw/zinc/35/19/85/340351985.db2.gz MKQJQIOPQOCDND-HOTGVXAUSA-N 2 2 322.518 3.843 20 0 DHADLP COc1ccsc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512194955 340351986 /nfs/dbraw/zinc/35/19/86/340351986.db2.gz MKQJQIOPQOCDND-HOTGVXAUSA-N 2 2 322.518 3.843 20 0 DHADLP COc1ccsc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000512194955 340351987 /nfs/dbraw/zinc/35/19/87/340351987.db2.gz MKQJQIOPQOCDND-HOTGVXAUSA-N 2 2 322.518 3.843 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC000512211411 340352478 /nfs/dbraw/zinc/35/24/78/340352478.db2.gz JQBJFKWCBGEVOL-IRXDYDNUSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC000512211411 340352479 /nfs/dbraw/zinc/35/24/79/340352479.db2.gz JQBJFKWCBGEVOL-IRXDYDNUSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000512211411 340352480 /nfs/dbraw/zinc/35/24/80/340352480.db2.gz JQBJFKWCBGEVOL-IRXDYDNUSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000512211411 340352481 /nfs/dbraw/zinc/35/24/81/340352481.db2.gz JQBJFKWCBGEVOL-IRXDYDNUSA-N 2 2 304.453 3.912 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000512577086 340367646 /nfs/dbraw/zinc/36/76/46/340367646.db2.gz HBNFVXHTVMGJDZ-JCGIZDLHSA-N 2 2 324.896 3.880 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000512577086 340367647 /nfs/dbraw/zinc/36/76/47/340367647.db2.gz HBNFVXHTVMGJDZ-JCGIZDLHSA-N 2 2 324.896 3.880 20 0 DHADLP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513238223 340399052 /nfs/dbraw/zinc/39/90/52/340399052.db2.gz KFCKGSCNXUCHDI-ZFWWWQNUSA-N 2 2 306.416 3.962 20 0 DHADLP Cc1ccc2[nH+]c(CNc3cc[nH+]c4ccc(Cl)cc34)cn2c1 ZINC000513608261 340414846 /nfs/dbraw/zinc/41/48/46/340414846.db2.gz KDUKACOAACXGBM-UHFFFAOYSA-N 2 2 322.799 3.878 20 0 DHADLP CC(C)Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)[NH+](C)C)cc1 ZINC000517254173 340466721 /nfs/dbraw/zinc/46/67/21/340466721.db2.gz OGPFTBKHHSIFMY-VDGAXYAQSA-N 2 2 318.505 3.502 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H](C)c2cncc(C)c2)[NH+](C)C)cc1 ZINC000184250033 340491499 /nfs/dbraw/zinc/49/14/99/340491499.db2.gz CEGGKDFEZRVQQD-UZLBHIALSA-N 2 2 311.473 3.906 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(F)cn2)c(C)c1 ZINC000529544488 340761811 /nfs/dbraw/zinc/76/18/11/340761811.db2.gz NOGIEZYPRFWTAS-IBGZPJMESA-N 2 2 324.403 3.565 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@H]3CC[NH2+]C34CCC4)ccc2c1 ZINC000530216616 340782808 /nfs/dbraw/zinc/78/28/08/340782808.db2.gz CJUGUKHGLRPNGB-KUHUBIRLSA-N 2 2 310.441 3.784 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(-c2ccncc2)cc1 ZINC000530222153 340783039 /nfs/dbraw/zinc/78/30/39/340783039.db2.gz QJWNLRUAXCONIL-HNAYVOBHSA-N 2 2 307.441 3.684 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(-c2ccncc2)cc1 ZINC000530222151 340783073 /nfs/dbraw/zinc/78/30/73/340783073.db2.gz QJWNLRUAXCONIL-DNVCBOLYSA-N 2 2 307.441 3.684 20 0 DHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@@H]1CCCO1 ZINC000542470670 341008763 /nfs/dbraw/zinc/00/87/63/341008763.db2.gz MHOAHGJSACKQFJ-SCTDSRPQSA-N 2 2 316.489 3.807 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)[C@H]2CCCO2)CCCC1)c1ccccc1 ZINC000542470668 341008824 /nfs/dbraw/zinc/00/88/24/341008824.db2.gz MHOAHGJSACKQFJ-JENIJYKNSA-N 2 2 316.489 3.807 20 0 DHADLP C[C@@H](CCC(F)(F)F)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000542486537 341009768 /nfs/dbraw/zinc/00/97/68/341009768.db2.gz OAEQVZYRAYYDRF-LBPRGKRZSA-N 2 2 313.367 3.827 20 0 DHADLP C[C@H](CCSc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130358690 341019660 /nfs/dbraw/zinc/01/96/60/341019660.db2.gz ZSULYHMMWHRSCE-MRXNPFEDSA-N 2 2 303.475 3.776 20 0 DHADLP C[C@H](CCSc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130358690 341019661 /nfs/dbraw/zinc/01/96/61/341019661.db2.gz ZSULYHMMWHRSCE-MRXNPFEDSA-N 2 2 303.475 3.776 20 0 DHADLP c1c(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)[nH+]c2n1CCCC2 ZINC000130471379 341022598 /nfs/dbraw/zinc/02/25/98/341022598.db2.gz OLQWILUNNQEFQH-ROUUACIJSA-N 2 2 309.457 3.688 20 0 DHADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(Cl)s1 ZINC000130580301 341029386 /nfs/dbraw/zinc/02/93/86/341029386.db2.gz CDPWCLPZNOQOHN-NSHDSACASA-N 2 2 305.834 3.943 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000543246212 341037941 /nfs/dbraw/zinc/03/79/41/341037941.db2.gz XVTNVZSJVBQXTH-WBMJQRKESA-N 2 2 313.426 3.940 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)c2)c[nH+]1 ZINC000543395758 341042022 /nfs/dbraw/zinc/04/20/22/341042022.db2.gz UVLBGDTXKDNUOI-MRXNPFEDSA-N 2 2 324.453 3.620 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CC[C@@H](Nc4ccccc4)C3)c2)c[nH+]1 ZINC000543395758 341042023 /nfs/dbraw/zinc/04/20/23/341042023.db2.gz UVLBGDTXKDNUOI-MRXNPFEDSA-N 2 2 324.453 3.620 20 0 DHADLP CCn1cc[nH+]c1CNc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000543717053 341054979 /nfs/dbraw/zinc/05/49/79/341054979.db2.gz SKPFKVOAJDQKCE-OAHLLOKOSA-N 2 2 313.449 3.597 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(F)c1 ZINC000544373911 341078904 /nfs/dbraw/zinc/07/89/04/341078904.db2.gz YEBWDFUIKBWNLY-LSDHHAIUSA-N 2 2 308.441 3.749 20 0 DHADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421226 341081520 /nfs/dbraw/zinc/08/15/20/341081520.db2.gz JHCZDIPBKNNEBY-HUUCEWRRSA-N 2 2 319.493 3.715 20 0 DHADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421226 341081521 /nfs/dbraw/zinc/08/15/21/341081521.db2.gz JHCZDIPBKNNEBY-HUUCEWRRSA-N 2 2 319.493 3.715 20 0 DHADLP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000131758158 341111005 /nfs/dbraw/zinc/11/10/05/341111005.db2.gz IOORHPJZZKHSBZ-CZUORRHYSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131758158 341111006 /nfs/dbraw/zinc/11/10/06/341111006.db2.gz IOORHPJZZKHSBZ-CZUORRHYSA-N 2 2 323.362 3.985 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@]3(C)CCCc4ccccc43)c[nH+]c12 ZINC000545875537 341143837 /nfs/dbraw/zinc/14/38/37/341143837.db2.gz RHUKCEPRUDBAJU-FQEVSTJZSA-N 2 2 305.425 3.984 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]C3CC(C)(c4ccccc4)C3)n2c1 ZINC000546667121 341177997 /nfs/dbraw/zinc/17/79/97/341177997.db2.gz JFKIPXOVNSZHPD-UHFFFAOYSA-N 2 2 305.425 3.853 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000546873245 341184687 /nfs/dbraw/zinc/18/46/87/341184687.db2.gz RMQKBTDTKBXHQZ-BMFZPTHFSA-N 2 2 314.395 3.970 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000546873245 341184688 /nfs/dbraw/zinc/18/46/88/341184688.db2.gz RMQKBTDTKBXHQZ-BMFZPTHFSA-N 2 2 314.395 3.970 20 0 DHADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136221411 341255155 /nfs/dbraw/zinc/25/51/55/341255155.db2.gz FBVQLEVNESNDOD-CXAGYDPISA-N 2 2 303.837 3.928 20 0 DHADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136221411 341255156 /nfs/dbraw/zinc/25/51/56/341255156.db2.gz FBVQLEVNESNDOD-CXAGYDPISA-N 2 2 303.837 3.928 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ncc(-c3cccs3)o2)[C@H](C)C1 ZINC000081096790 341279511 /nfs/dbraw/zinc/27/95/11/341279511.db2.gz FYJCMNRKJANYNX-KGLIPLIRSA-N 2 2 319.474 3.565 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ncc(-c3cccs3)o2)[C@H](C)C1 ZINC000081096790 341279512 /nfs/dbraw/zinc/27/95/12/341279512.db2.gz FYJCMNRKJANYNX-KGLIPLIRSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ncc(-c3cccs3)o2)[C@H](C)C1 ZINC000081096790 341279513 /nfs/dbraw/zinc/27/95/13/341279513.db2.gz FYJCMNRKJANYNX-KGLIPLIRSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ncc(-c3cccs3)o2)[C@H](C)C1 ZINC000081096790 341279514 /nfs/dbraw/zinc/27/95/14/341279514.db2.gz FYJCMNRKJANYNX-KGLIPLIRSA-N 2 2 319.474 3.565 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCCn1cc[nH+]c1 ZINC000549041264 341284596 /nfs/dbraw/zinc/28/45/96/341284596.db2.gz NGEFFDMFFFCHIU-CQSZACIVSA-N 2 2 307.388 3.552 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245445160 341294631 /nfs/dbraw/zinc/29/46/31/341294631.db2.gz KCXBHBUNYDUYTM-CABCVRRESA-N 2 2 308.416 3.834 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245445160 341294632 /nfs/dbraw/zinc/29/46/32/341294632.db2.gz KCXBHBUNYDUYTM-CABCVRRESA-N 2 2 308.416 3.834 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245453823 341294987 /nfs/dbraw/zinc/29/49/87/341294987.db2.gz RLKLCVPRRXTJKX-GJZGRUSLSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245453823 341294988 /nfs/dbraw/zinc/29/49/88/341294988.db2.gz RLKLCVPRRXTJKX-GJZGRUSLSA-N 2 2 308.416 3.834 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245543487 341300958 /nfs/dbraw/zinc/30/09/58/341300958.db2.gz KTTRZLXSDLHZOM-HUUCEWRRSA-N 2 2 301.434 3.553 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245543487 341300959 /nfs/dbraw/zinc/30/09/59/341300959.db2.gz KTTRZLXSDLHZOM-HUUCEWRRSA-N 2 2 301.434 3.553 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245543487 341300960 /nfs/dbraw/zinc/30/09/60/341300960.db2.gz KTTRZLXSDLHZOM-HUUCEWRRSA-N 2 2 301.434 3.553 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245543487 341300961 /nfs/dbraw/zinc/30/09/61/341300961.db2.gz KTTRZLXSDLHZOM-HUUCEWRRSA-N 2 2 301.434 3.553 20 0 DHADLP CCOC1(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCCC1 ZINC000549864033 341305419 /nfs/dbraw/zinc/30/54/19/341305419.db2.gz QASSIGNUWSGFRO-IEBWSBKVSA-N 2 2 316.489 3.761 20 0 DHADLP CCOC1(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCCC1 ZINC000549864033 341305420 /nfs/dbraw/zinc/30/54/20/341305420.db2.gz QASSIGNUWSGFRO-IEBWSBKVSA-N 2 2 316.489 3.761 20 0 DHADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245716639 341311585 /nfs/dbraw/zinc/31/15/85/341311585.db2.gz UFJBVXQFFBTAIM-QFBILLFUSA-N 2 2 313.445 3.753 20 0 DHADLP CC(C)Oc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245716639 341311586 /nfs/dbraw/zinc/31/15/86/341311586.db2.gz UFJBVXQFFBTAIM-QFBILLFUSA-N 2 2 313.445 3.753 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000551539591 341344738 /nfs/dbraw/zinc/34/47/38/341344738.db2.gz AVKNAEFOYFRLKX-HZPDHXFCSA-N 2 2 301.434 3.801 20 0 DHADLP CCC1CC([NH2+]C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000551540261 341344770 /nfs/dbraw/zinc/34/47/70/341344770.db2.gz CZRFZFXBHFVSBC-GXOAENINSA-N 2 2 302.462 3.610 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246573896 341353816 /nfs/dbraw/zinc/35/38/16/341353816.db2.gz LMUNNRSSFXLGSG-BIENJYKASA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246573896 341353817 /nfs/dbraw/zinc/35/38/17/341353817.db2.gz LMUNNRSSFXLGSG-BIENJYKASA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246573896 341353818 /nfs/dbraw/zinc/35/38/18/341353818.db2.gz LMUNNRSSFXLGSG-BIENJYKASA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246573896 341353819 /nfs/dbraw/zinc/35/38/19/341353819.db2.gz LMUNNRSSFXLGSG-BIENJYKASA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836523 341357543 /nfs/dbraw/zinc/35/75/43/341357543.db2.gz OKSRUQISTTXEFS-TYILLQQXSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836523 341357544 /nfs/dbraw/zinc/35/75/44/341357544.db2.gz OKSRUQISTTXEFS-TYILLQQXSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246836523 341357545 /nfs/dbraw/zinc/35/75/45/341357545.db2.gz OKSRUQISTTXEFS-TYILLQQXSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246836523 341357546 /nfs/dbraw/zinc/35/75/46/341357546.db2.gz OKSRUQISTTXEFS-TYILLQQXSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246930905 341358773 /nfs/dbraw/zinc/35/87/73/341358773.db2.gz DNFOBFRFPJQHKF-GOEBONIOSA-N 2 2 308.416 3.976 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246930905 341358774 /nfs/dbraw/zinc/35/87/74/341358774.db2.gz DNFOBFRFPJQHKF-GOEBONIOSA-N 2 2 308.416 3.976 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(O)c1 ZINC000247069647 341360607 /nfs/dbraw/zinc/36/06/07/341360607.db2.gz QCMUIQYBABTWLG-GQIGUUNPSA-N 2 2 310.441 3.563 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(O)c1 ZINC000247069647 341360608 /nfs/dbraw/zinc/36/06/08/341360608.db2.gz QCMUIQYBABTWLG-GQIGUUNPSA-N 2 2 310.441 3.563 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248643878 341382555 /nfs/dbraw/zinc/38/25/55/341382555.db2.gz PKXOEURMSMAQCM-GPMSIDNRSA-N 2 2 300.446 3.882 20 0 DHADLP CCc1ccc([C@@H](C[NH2+]C[C@H]2CCSC2)[NH+](CC)CC)cc1 ZINC000552278042 341383499 /nfs/dbraw/zinc/38/34/99/341383499.db2.gz RPRKMACRPGTONK-IEBWSBKVSA-N 2 2 320.546 3.975 20 0 DHADLP CCc1ccc([C@@H](C[NH2+]CC[C@H]2CCOC2)[NH+](CC)CC)cc1 ZINC000552278196 341383532 /nfs/dbraw/zinc/38/35/32/341383532.db2.gz VQTAFYFJVKLJKC-AZUAARDMSA-N 2 2 318.505 3.648 20 0 DHADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248698370 341384523 /nfs/dbraw/zinc/38/45/23/341384523.db2.gz FBVQLEVNESNDOD-GUYCJALGSA-N 2 2 303.837 3.928 20 0 DHADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000553674453 341433734 /nfs/dbraw/zinc/43/37/34/341433734.db2.gz MRDLYJCCGMPBCF-UONOGXRCSA-N 2 2 315.848 3.951 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CC[C@H]3C3CC3)C2)CC1 ZINC000554091754 341443841 /nfs/dbraw/zinc/44/38/41/341443841.db2.gz JFIYZVUFDOVDRQ-SSHXOBKSSA-N 2 2 316.411 3.570 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CC[C@H]3C3CC3)C2)CC1 ZINC000554091711 341443857 /nfs/dbraw/zinc/44/38/57/341443857.db2.gz JFIYZVUFDOVDRQ-CKUJCDMFSA-N 2 2 316.411 3.570 20 0 DHADLP FC(F)(F)C1C[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000565819069 341539331 /nfs/dbraw/zinc/53/93/31/341539331.db2.gz MMDHDIQGONYWNM-UHFFFAOYSA-N 2 2 312.379 3.667 20 0 DHADLP COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000572986975 341712340 /nfs/dbraw/zinc/71/23/40/341712340.db2.gz ZXBPDBUJSPETJA-KRWDZBQOSA-N 2 2 301.434 3.614 20 0 DHADLP C[C@@H](C[NH+](C)C)[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000573960517 341744344 /nfs/dbraw/zinc/74/43/44/341744344.db2.gz AFVWZPLWEXOEQD-ZDUSSCGKSA-N 2 2 302.384 3.568 20 0 DHADLP CCCc1[nH+]c2ccccc2n1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000574046811 341746875 /nfs/dbraw/zinc/74/68/75/341746875.db2.gz PWFHRBPZKINYKE-MRXNPFEDSA-N 2 2 323.440 3.740 20 0 DHADLP CCOc1cccc(Cl)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000575811836 341806125 /nfs/dbraw/zinc/80/61/25/341806125.db2.gz DTHYVEYVCNFBPI-UHFFFAOYSA-N 2 2 319.836 3.772 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCCn1cc[nH+]c1 ZINC000337346212 518417333 /nfs/dbraw/zinc/41/73/33/518417333.db2.gz WAVJXAUZVPSQDQ-KAMYIIQDSA-N 2 2 323.362 3.985 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337284162 520329159 /nfs/dbraw/zinc/32/91/59/520329159.db2.gz JJHDPBCVJXRVPN-HKUYNNGSSA-N 2 2 315.505 3.819 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337284162 520329166 /nfs/dbraw/zinc/32/91/66/520329166.db2.gz JJHDPBCVJXRVPN-HKUYNNGSSA-N 2 2 315.505 3.819 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000130690059 521223716 /nfs/dbraw/zinc/22/37/16/521223716.db2.gz RVNLZVCHWMZAJG-OAHLLOKOSA-N 2 2 309.413 3.626 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000366229955 521258087 /nfs/dbraw/zinc/25/80/87/521258087.db2.gz JZVWCCWWSVIDGA-DOTOQJQBSA-N 2 2 313.445 3.818 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000156581554 521641689 /nfs/dbraw/zinc/64/16/89/521641689.db2.gz WQSGENFARVBWET-NVXWUHKLSA-N 2 2 300.446 3.507 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000156581554 521641693 /nfs/dbraw/zinc/64/16/93/521641693.db2.gz WQSGENFARVBWET-NVXWUHKLSA-N 2 2 300.446 3.507 20 0 DHADLP COc1cc(Cl)ccc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354398276 522557791 /nfs/dbraw/zinc/55/77/91/522557791.db2.gz GFBKAQLJMRMIHY-UHFFFAOYSA-N 2 2 304.821 3.774 20 0 DHADLP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336871724 522834533 /nfs/dbraw/zinc/83/45/33/522834533.db2.gz NFSSJLYRZHJVAS-NVXWUHKLSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1noc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000336871724 522834543 /nfs/dbraw/zinc/83/45/43/522834543.db2.gz NFSSJLYRZHJVAS-NVXWUHKLSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1noc(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000336871724 522834547 /nfs/dbraw/zinc/83/45/47/522834547.db2.gz NFSSJLYRZHJVAS-NVXWUHKLSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1noc(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000336871724 522834557 /nfs/dbraw/zinc/83/45/57/522834557.db2.gz NFSSJLYRZHJVAS-NVXWUHKLSA-N 2 2 319.493 3.632 20 0 DHADLP COCC1(CC[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000339444305 522866216 /nfs/dbraw/zinc/86/62/16/522866216.db2.gz GZHBXSHLKRHLGD-MJGOQNOKSA-N 2 2 316.489 3.618 20 0 DHADLP COCC1(CC[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000339444305 522866227 /nfs/dbraw/zinc/86/62/27/522866227.db2.gz GZHBXSHLKRHLGD-MJGOQNOKSA-N 2 2 316.489 3.618 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1c(F)cccc1F ZINC000339598936 523197693 /nfs/dbraw/zinc/19/76/93/523197693.db2.gz UPEZLSGQZKUNNM-UHFFFAOYSA-N 2 2 313.351 3.783 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1c(F)cccc1F ZINC000339598936 523197707 /nfs/dbraw/zinc/19/77/07/523197707.db2.gz UPEZLSGQZKUNNM-UHFFFAOYSA-N 2 2 313.351 3.783 20 0 DHADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000180160131 523291703 /nfs/dbraw/zinc/29/17/03/523291703.db2.gz JJTXPAJUWOTORE-OAHLLOKOSA-N 2 2 314.477 3.580 20 0 DHADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000179402241 523566861 /nfs/dbraw/zinc/56/68/61/523566861.db2.gz IGCOYWAZANHYEP-POAQFYNOSA-N 2 2 315.505 3.850 20 0 DHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000339438950 523836579 /nfs/dbraw/zinc/83/65/79/523836579.db2.gz XLFVDNBGODAPIL-MRXNPFEDSA-N 2 2 312.379 3.623 20 0 DHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000339438950 523836584 /nfs/dbraw/zinc/83/65/84/523836584.db2.gz XLFVDNBGODAPIL-MRXNPFEDSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000339438950 523836591 /nfs/dbraw/zinc/83/65/91/523836591.db2.gz XLFVDNBGODAPIL-MRXNPFEDSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000339438950 523836594 /nfs/dbraw/zinc/83/65/94/523836594.db2.gz XLFVDNBGODAPIL-MRXNPFEDSA-N 2 2 312.379 3.623 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCSC2)[C@@H]1c1cccc(Cl)c1 ZINC000364853925 523980678 /nfs/dbraw/zinc/98/06/78/523980678.db2.gz SXSMNEODXPCXTM-LXZKKBNFSA-N 2 2 324.921 3.676 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCSC2)[C@@H]1c1cccc(Cl)c1 ZINC000364853925 523980681 /nfs/dbraw/zinc/98/06/81/523980681.db2.gz SXSMNEODXPCXTM-LXZKKBNFSA-N 2 2 324.921 3.676 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000156444621 524298265 /nfs/dbraw/zinc/29/82/65/524298265.db2.gz SIAMLJOKNLJIJR-BBRMVZONSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000156444621 524298270 /nfs/dbraw/zinc/29/82/70/524298270.db2.gz SIAMLJOKNLJIJR-BBRMVZONSA-N 2 2 323.362 3.985 20 0 DHADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000156550075 524398854 /nfs/dbraw/zinc/39/88/54/524398854.db2.gz DBHPRAJSEIHKDZ-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000156550075 524398859 /nfs/dbraw/zinc/39/88/59/524398859.db2.gz DBHPRAJSEIHKDZ-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000156550075 524398867 /nfs/dbraw/zinc/39/88/67/524398867.db2.gz DBHPRAJSEIHKDZ-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000156550075 524398872 /nfs/dbraw/zinc/39/88/72/524398872.db2.gz DBHPRAJSEIHKDZ-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000337338992 524503339 /nfs/dbraw/zinc/50/33/39/524503339.db2.gz OHECXFJSQQJHJX-MLYOOKFZSA-N 2 2 315.505 3.960 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)[N@H+]1CCCC[C@H]1C ZINC000337338992 524503350 /nfs/dbraw/zinc/50/33/50/524503350.db2.gz OHECXFJSQQJHJX-MLYOOKFZSA-N 2 2 315.505 3.960 20 0 DHADLP Cc1cccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000163755812 524874173 /nfs/dbraw/zinc/87/41/73/524874173.db2.gz ABURWLQEJDJRNC-SFHVURJKSA-N 2 2 324.468 3.678 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c2ccsc2S1 ZINC000130337276 524929683 /nfs/dbraw/zinc/92/96/83/524929683.db2.gz QIRXYRXSTDVVFD-CYUUQNCZSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c2ccsc2S1 ZINC000130337276 524929692 /nfs/dbraw/zinc/92/96/92/524929692.db2.gz QIRXYRXSTDVVFD-CYUUQNCZSA-N 2 2 308.516 3.890 20 0 DHADLP Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc(C2CC2)[nH+]1 ZINC000265386305 525276503 /nfs/dbraw/zinc/27/65/03/525276503.db2.gz SKRHYTNPZNUXBF-UHFFFAOYSA-N 2 2 323.375 3.599 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000130639666 525343378 /nfs/dbraw/zinc/34/33/78/525343378.db2.gz GHARVHFPAYUFPV-CVEARBPZSA-N 2 2 323.440 3.667 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000265981588 525418193 /nfs/dbraw/zinc/41/81/93/525418193.db2.gz FOZBRRVTIYZTFD-YLJYHZDGSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000265981588 525418206 /nfs/dbraw/zinc/41/82/06/525418206.db2.gz FOZBRRVTIYZTFD-YLJYHZDGSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000265981588 525418213 /nfs/dbraw/zinc/41/82/13/525418213.db2.gz FOZBRRVTIYZTFD-YLJYHZDGSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000265981588 525418224 /nfs/dbraw/zinc/41/82/24/525418224.db2.gz FOZBRRVTIYZTFD-YLJYHZDGSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000130526320 525581726 /nfs/dbraw/zinc/58/17/26/525581726.db2.gz MFCLGCGRQDZFSF-IFXJQAMLSA-N 2 2 319.408 3.916 20 0 DHADLP Cc1ccc(-c2cnc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)o2)cc1 ZINC000266713981 525769648 /nfs/dbraw/zinc/76/96/48/525769648.db2.gz FSLIXOCPTKHKRQ-WBVHZDCISA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cnc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)o2)cc1 ZINC000266713981 525769659 /nfs/dbraw/zinc/76/96/59/525769659.db2.gz FSLIXOCPTKHKRQ-WBVHZDCISA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cnc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000266713981 525769665 /nfs/dbraw/zinc/76/96/65/525769665.db2.gz FSLIXOCPTKHKRQ-WBVHZDCISA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cnc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000266713981 525769674 /nfs/dbraw/zinc/76/96/74/525769674.db2.gz FSLIXOCPTKHKRQ-WBVHZDCISA-N 2 2 313.445 3.565 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H](c3cccnc3)C1)CCC2 ZINC000337341170 525938921 /nfs/dbraw/zinc/93/89/21/525938921.db2.gz QAJUWXRLRLWICW-YTQUADARSA-N 2 2 324.472 3.780 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181092481 526043587 /nfs/dbraw/zinc/04/35/87/526043587.db2.gz YBIYKSQMWWFZRH-CYBMUJFWSA-N 2 2 311.351 3.985 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181092481 526043598 /nfs/dbraw/zinc/04/35/98/526043598.db2.gz YBIYKSQMWWFZRH-CYBMUJFWSA-N 2 2 311.351 3.985 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000181121598 526178700 /nfs/dbraw/zinc/17/87/00/526178700.db2.gz BVWIPMHBDNGYMX-CABCVRRESA-N 2 2 301.434 3.695 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000181121598 526178708 /nfs/dbraw/zinc/17/87/08/526178708.db2.gz BVWIPMHBDNGYMX-CABCVRRESA-N 2 2 301.434 3.695 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000181121598 526178715 /nfs/dbraw/zinc/17/87/15/526178715.db2.gz BVWIPMHBDNGYMX-CABCVRRESA-N 2 2 301.434 3.695 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000181121598 526178719 /nfs/dbraw/zinc/17/87/19/526178719.db2.gz BVWIPMHBDNGYMX-CABCVRRESA-N 2 2 301.434 3.695 20 0 DHADLP c1c(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)[nH+]c2ccccn12 ZINC000130417980 526397908 /nfs/dbraw/zinc/39/79/08/526397908.db2.gz OROWECLOCZLUID-ZWKOTPCHSA-N 2 2 305.425 3.803 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)[nH+]1 ZINC000337993585 526535192 /nfs/dbraw/zinc/53/51/92/526535192.db2.gz JXNRATYETHAGOS-RTBURBONSA-N 2 2 309.457 3.642 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000040592252 536465634 /nfs/dbraw/zinc/46/56/34/536465634.db2.gz VQQPZZOEDKJGLY-NWDGAFQWSA-N 2 2 301.261 3.986 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000040592252 536465635 /nfs/dbraw/zinc/46/56/35/536465635.db2.gz VQQPZZOEDKJGLY-NWDGAFQWSA-N 2 2 301.261 3.986 20 0 DHADLP Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc3[nH+]ccn32)s1 ZINC000180153945 526750912 /nfs/dbraw/zinc/75/09/12/526750912.db2.gz POTZAEXTSKXNDW-LBPRGKRZSA-N 2 2 300.431 3.601 20 0 DHADLP Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc3[nH+]ccn32)s1 ZINC000180153945 526750919 /nfs/dbraw/zinc/75/09/19/526750919.db2.gz POTZAEXTSKXNDW-LBPRGKRZSA-N 2 2 300.431 3.601 20 0 DHADLP Cc1sccc1C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000339238314 526919781 /nfs/dbraw/zinc/91/97/81/526919781.db2.gz MCOQTTSPDJYPJK-KDOFPFPSSA-N 2 2 300.471 3.982 20 0 DHADLP Cc1sccc1C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000339238314 526919787 /nfs/dbraw/zinc/91/97/87/526919787.db2.gz MCOQTTSPDJYPJK-KDOFPFPSSA-N 2 2 300.471 3.982 20 0 DHADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC=CO3)CC2)cc1 ZINC000188577899 526944984 /nfs/dbraw/zinc/94/49/84/526944984.db2.gz VNIGLTWJEHVJHH-GOSISDBHSA-N 2 2 320.864 3.587 20 0 DHADLP Cn1c[nH+]cc1C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000339606493 527507303 /nfs/dbraw/zinc/50/73/03/527507303.db2.gz ADZHNCXMFZYAIS-HXUWFJFHSA-N 2 2 303.409 3.568 20 0 DHADLP Cn1c[nH+]cc1C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000339606493 527507308 /nfs/dbraw/zinc/50/73/08/527507308.db2.gz ADZHNCXMFZYAIS-HXUWFJFHSA-N 2 2 303.409 3.568 20 0 DHADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cccc(C3CC3)c2)C1 ZINC000340181233 535126140 /nfs/dbraw/zinc/12/61/40/535126140.db2.gz NFUCTPHVKHFBNP-OXJNMPFZSA-N 2 2 316.489 3.571 20 0 DHADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cccc(C3CC3)c2)C1 ZINC000340181233 535126141 /nfs/dbraw/zinc/12/61/41/535126141.db2.gz NFUCTPHVKHFBNP-OXJNMPFZSA-N 2 2 316.489 3.571 20 0 DHADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2cccc(C3CC3)c2)C1 ZINC000340181234 535128028 /nfs/dbraw/zinc/12/80/28/535128028.db2.gz NFUCTPHVKHFBNP-OXQOHEQNSA-N 2 2 316.489 3.571 20 0 DHADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2cccc(C3CC3)c2)C1 ZINC000340181234 535128029 /nfs/dbraw/zinc/12/80/29/535128029.db2.gz NFUCTPHVKHFBNP-OXQOHEQNSA-N 2 2 316.489 3.571 20 0 DHADLP COc1ccccc1C1(C[NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000289224699 537012586 /nfs/dbraw/zinc/01/25/86/537012586.db2.gz JNZKCVATFVNXHU-UHFFFAOYSA-N 2 2 310.441 3.653 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000519774713 1013601418 /nfs/dbraw/zinc/60/14/18/1013601418.db2.gz MOUIQIWOTYCPHH-QZTJIDSGSA-N 2 2 303.494 3.503 20 0 DHADLP Fc1cc(C[NH2+]CC2Cc3ccccc3C2)ccc1-n1cc[nH+]c1 ZINC000519854350 1013615872 /nfs/dbraw/zinc/61/58/72/1013615872.db2.gz AUXFPBUUBDUPGQ-UHFFFAOYSA-N 2 2 321.399 3.516 20 0 DHADLP CO[C@@H]1CC[N@H+](Cc2ccc(C3CCCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000520407575 1013731805 /nfs/dbraw/zinc/73/18/05/1013731805.db2.gz IOMWAHIORWKGKA-WOJBJXKFSA-N 2 2 316.489 3.672 20 0 DHADLP CO[C@@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000520407575 1013731811 /nfs/dbraw/zinc/73/18/11/1013731811.db2.gz IOMWAHIORWKGKA-WOJBJXKFSA-N 2 2 316.489 3.672 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1F ZINC000655849468 1013776014 /nfs/dbraw/zinc/77/60/14/1013776014.db2.gz VKUHWFQBBTVYRE-RRQGHBQHSA-N 2 2 306.425 3.502 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1F ZINC000655849468 1013776018 /nfs/dbraw/zinc/77/60/18/1013776018.db2.gz VKUHWFQBBTVYRE-RRQGHBQHSA-N 2 2 306.425 3.502 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655847604 1013771772 /nfs/dbraw/zinc/77/17/72/1013771772.db2.gz CIGYBXHORVSEAM-RYQLBKOJSA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655847604 1013771776 /nfs/dbraw/zinc/77/17/76/1013771776.db2.gz CIGYBXHORVSEAM-RYQLBKOJSA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655847602 1013772407 /nfs/dbraw/zinc/77/24/07/1013772407.db2.gz CIGYBXHORVSEAM-CGTJXYLNSA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655847602 1013772413 /nfs/dbraw/zinc/77/24/13/1013772413.db2.gz CIGYBXHORVSEAM-CGTJXYLNSA-N 2 2 302.462 3.671 20 0 DHADLP C1CCC(OC2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)C1 ZINC000655851566 1013777531 /nfs/dbraw/zinc/77/75/31/1013777531.db2.gz XXHOGLYJZATMPV-PEVDHWGLSA-N 2 2 320.521 3.863 20 0 DHADLP C1CCC(OC2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)C1 ZINC000655851566 1013777541 /nfs/dbraw/zinc/77/75/41/1013777541.db2.gz XXHOGLYJZATMPV-PEVDHWGLSA-N 2 2 320.521 3.863 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(OC(F)F)c1 ZINC000655848885 1013778321 /nfs/dbraw/zinc/77/83/21/1013778321.db2.gz LAGPGKUOPSOTBK-JQFCIGGWSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(OC(F)F)c1 ZINC000655848885 1013778327 /nfs/dbraw/zinc/77/83/27/1013778327.db2.gz LAGPGKUOPSOTBK-JQFCIGGWSA-N 2 2 324.415 3.956 20 0 DHADLP Fc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000072063815 1013844876 /nfs/dbraw/zinc/84/48/76/1013844876.db2.gz ZRHZLDJSBKAHGG-UHFFFAOYSA-N 2 2 315.779 3.955 20 0 DHADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000303238951 1014071988 /nfs/dbraw/zinc/07/19/88/1014071988.db2.gz VUOOIPHZVQWSQI-AWEZNQCLSA-N 2 2 313.445 3.607 20 0 DHADLP Fc1cccc(F)c1[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000189221700 1014160324 /nfs/dbraw/zinc/16/03/24/1014160324.db2.gz YGWQXWNWVNVIMB-OAHLLOKOSA-N 2 2 308.416 3.630 20 0 DHADLP Fc1cccc(F)c1[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000189221700 1014160331 /nfs/dbraw/zinc/16/03/31/1014160331.db2.gz YGWQXWNWVNVIMB-OAHLLOKOSA-N 2 2 308.416 3.630 20 0 DHADLP Cc1ccnc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168005154 1014392961 /nfs/dbraw/zinc/39/29/61/1014392961.db2.gz HATGWVYTBACVIE-OPVJXMOQSA-N 2 2 323.484 3.921 20 0 DHADLP Cc1ccnc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168005154 1014392970 /nfs/dbraw/zinc/39/29/70/1014392970.db2.gz HATGWVYTBACVIE-OPVJXMOQSA-N 2 2 323.484 3.921 20 0 DHADLP Cc1cccnc1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005710 1014407874 /nfs/dbraw/zinc/40/78/74/1014407874.db2.gz KDXJCIHJKOETCA-ROUUACIJSA-N 2 2 323.484 3.921 20 0 DHADLP C[C@H](Cc1ccsc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110741 1014436313 /nfs/dbraw/zinc/43/63/13/1014436313.db2.gz WBARXGAYALTHOF-DJIMGWMZSA-N 2 2 315.486 3.851 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(Cc2c(F)cccc2F)c2cccc[nH+]2)CC1 ZINC000895111087 1014437626 /nfs/dbraw/zinc/43/76/26/1014437626.db2.gz LCGWNVRGBPQSIR-HDJSIYSDSA-N 2 2 317.383 3.636 20 0 DHADLP C[C@@H](C1CCSCC1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112156 1014442331 /nfs/dbraw/zinc/44/23/31/1014442331.db2.gz MUVVTQWARYPAJT-XIRDDKMYSA-N 2 2 319.518 3.690 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000427881808 1014546669 /nfs/dbraw/zinc/54/66/69/1014546669.db2.gz JRJLLJPNSRVHLU-BEFAXECRSA-N 2 2 309.413 3.931 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1OC ZINC000427867469 1014544465 /nfs/dbraw/zinc/54/44/65/1014544465.db2.gz BRHBPXYMFZXFBY-HIFRSBDPSA-N 2 2 319.836 3.601 20 0 DHADLP COc1ccc([C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000665266995 1014605165 /nfs/dbraw/zinc/60/51/65/1014605165.db2.gz NQCHDPYGIJBDPI-IXDOHACOSA-N 2 2 324.415 3.513 20 0 DHADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1sccc1Br ZINC000521225581 1014664644 /nfs/dbraw/zinc/66/46/44/1014664644.db2.gz FLVMMUZWVFHRGF-UWVGGRQHSA-N 2 2 305.285 3.535 20 0 DHADLP CSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000442787530 1014735812 /nfs/dbraw/zinc/73/58/12/1014735812.db2.gz WWQJSTGHARULLC-KGLIPLIRSA-N 2 2 301.459 3.833 20 0 DHADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000665295311 1014742812 /nfs/dbraw/zinc/74/28/12/1014742812.db2.gz BTRZIYAQFRYOBA-BXUZGUMPSA-N 2 2 319.449 3.524 20 0 DHADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000665295396 1014742915 /nfs/dbraw/zinc/74/29/15/1014742915.db2.gz DAFOSHDQEVBKRO-DZGCQCFKSA-N 2 2 315.486 3.693 20 0 DHADLP Cc1[nH+]c2ccccc2c(NCc2ccn3cc[nH+]c3c2)c1C ZINC000521702506 1014777888 /nfs/dbraw/zinc/77/78/88/1014777888.db2.gz DANXCCOERCFUQW-UHFFFAOYSA-N 2 2 302.381 3.533 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000349412960 1014818271 /nfs/dbraw/zinc/81/82/71/1014818271.db2.gz ZIORZUCTOBVYJG-UHFFFAOYSA-N 2 2 315.314 3.563 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000349412960 1014818279 /nfs/dbraw/zinc/81/82/79/1014818279.db2.gz ZIORZUCTOBVYJG-UHFFFAOYSA-N 2 2 315.314 3.563 20 0 DHADLP Cc1nc(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000276297780 1014923355 /nfs/dbraw/zinc/92/33/55/1014923355.db2.gz WTFRPTRSQRDWNU-ZDUSSCGKSA-N 2 2 312.442 3.531 20 0 DHADLP Cc1cnccc1CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090193633 1015024374 /nfs/dbraw/zinc/02/43/74/1015024374.db2.gz HIFOONYZSZBOLI-FQEVSTJZSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cnccc1CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090193633 1015024385 /nfs/dbraw/zinc/02/43/85/1015024385.db2.gz HIFOONYZSZBOLI-FQEVSTJZSA-N 2 2 323.484 3.575 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccn1 ZINC000647166841 1015038632 /nfs/dbraw/zinc/03/86/32/1015038632.db2.gz GHBPFJLDYARHGC-MJGOQNOKSA-N 2 2 321.468 3.929 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccn1 ZINC000647166841 1015038642 /nfs/dbraw/zinc/03/86/42/1015038642.db2.gz GHBPFJLDYARHGC-MJGOQNOKSA-N 2 2 321.468 3.929 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2=O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168023844 1015055927 /nfs/dbraw/zinc/05/59/27/1015055927.db2.gz YIMCJPBPCHMVML-UKBAYJJMSA-N 2 2 314.473 3.529 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCC2=O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023844 1015055939 /nfs/dbraw/zinc/05/59/39/1015055939.db2.gz YIMCJPBPCHMVML-UKBAYJJMSA-N 2 2 314.473 3.529 20 0 DHADLP CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000313403409 1015073810 /nfs/dbraw/zinc/07/38/10/1015073810.db2.gz WYQRFNBRSWZYTN-GOSISDBHSA-N 2 2 301.478 3.999 20 0 DHADLP Cc1[nH+]cc(CNc2cc(CCc3ccccc3)cc[nH+]2)n1C ZINC000656770618 1015142810 /nfs/dbraw/zinc/14/28/10/1015142810.db2.gz JMVWMHKQPRDPDR-UHFFFAOYSA-N 2 2 306.413 3.521 20 0 DHADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000656790184 1015159301 /nfs/dbraw/zinc/15/93/01/1015159301.db2.gz OWTHCMPGXTYCDV-MORSLUCNSA-N 2 2 318.461 3.554 20 0 DHADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480994 1015192710 /nfs/dbraw/zinc/19/27/10/1015192710.db2.gz BIZRTMCZCUYJHM-UHFFFAOYSA-N 2 2 312.432 3.922 20 0 DHADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480994 1015192720 /nfs/dbraw/zinc/19/27/20/1015192720.db2.gz BIZRTMCZCUYJHM-UHFFFAOYSA-N 2 2 312.432 3.922 20 0 DHADLP CC(=O)CC(C)(C)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031187 1015209000 /nfs/dbraw/zinc/20/90/00/1015209000.db2.gz YBTPYQXCKALLHD-HOTGVXAUSA-N 2 2 316.489 3.775 20 0 DHADLP CC(=O)CC(C)(C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031183 1015209344 /nfs/dbraw/zinc/20/93/44/1015209344.db2.gz YBTPYQXCKALLHD-HGKCTWBKSA-N 2 2 316.489 3.775 20 0 DHADLP CC(=O)CC(C)(C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168031183 1015209352 /nfs/dbraw/zinc/20/93/52/1015209352.db2.gz YBTPYQXCKALLHD-HGKCTWBKSA-N 2 2 316.489 3.775 20 0 DHADLP C(C[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1)C1CCCC1 ZINC001279512442 1015234955 /nfs/dbraw/zinc/23/49/55/1015234955.db2.gz OHRDLIBSFHUOOG-FQEVSTJZSA-N 2 2 320.521 3.676 20 0 DHADLP C(C[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1)C1CCCC1 ZINC001279512442 1015234959 /nfs/dbraw/zinc/23/49/59/1015234959.db2.gz OHRDLIBSFHUOOG-FQEVSTJZSA-N 2 2 320.521 3.676 20 0 DHADLP C(C[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2)C1CCCC1 ZINC001279512442 1015234964 /nfs/dbraw/zinc/23/49/64/1015234964.db2.gz OHRDLIBSFHUOOG-FQEVSTJZSA-N 2 2 320.521 3.676 20 0 DHADLP C(C[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2)C1CCCC1 ZINC001279512442 1015234972 /nfs/dbraw/zinc/23/49/72/1015234972.db2.gz OHRDLIBSFHUOOG-FQEVSTJZSA-N 2 2 320.521 3.676 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CC(F)(F)C1 ZINC000895705770 1015264714 /nfs/dbraw/zinc/26/47/14/1015264714.db2.gz FVKSSBCOFWYIEK-CJNGLKHVSA-N 2 2 305.372 3.648 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CS1 ZINC000895705980 1015265344 /nfs/dbraw/zinc/26/53/44/1015265344.db2.gz GRKBEDPMEJVUIN-BZSNNMDCSA-N 2 2 315.486 3.744 20 0 DHADLP CSc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000581726480 1015278190 /nfs/dbraw/zinc/27/81/90/1015278190.db2.gz OUTMAQKUDPVNGT-RHSMWYFYSA-N 2 2 313.470 3.587 20 0 DHADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(C(C)(C)C)co1 ZINC000896028644 1015419585 /nfs/dbraw/zinc/41/95/85/1015419585.db2.gz UEVGNECHSDQXAD-UHFFFAOYSA-N 2 2 307.482 3.670 20 0 DHADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(C(C)(C)C)co1 ZINC000896028644 1015419594 /nfs/dbraw/zinc/41/95/94/1015419594.db2.gz UEVGNECHSDQXAD-UHFFFAOYSA-N 2 2 307.482 3.670 20 0 DHADLP c1ccc([C@H]2C[C@@H]2C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000896195750 1015497641 /nfs/dbraw/zinc/49/76/41/1015497641.db2.gz QAZKACQAJBYAIE-IEBWSBKVSA-N 2 2 307.441 3.762 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000474627508 1015501321 /nfs/dbraw/zinc/50/13/21/1015501321.db2.gz OJMPRGOPFQGVNF-QGZVFWFLSA-N 2 2 316.489 3.577 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(F)F)CC1 ZINC000361826944 1032117183 /nfs/dbraw/zinc/11/71/83/1032117183.db2.gz DKUDGRCYXOQAGA-UHFFFAOYSA-N 2 2 305.372 3.658 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)[N@H+](C)C1CC1 ZINC000474706348 1015555941 /nfs/dbraw/zinc/55/59/41/1015555941.db2.gz AOFXVTZNFWTPFN-AUZPSNTRSA-N 2 2 312.910 3.966 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)[N@@H+](C)C1CC1 ZINC000474706348 1015555947 /nfs/dbraw/zinc/55/59/47/1015555947.db2.gz AOFXVTZNFWTPFN-AUZPSNTRSA-N 2 2 312.910 3.966 20 0 DHADLP Fc1ccc(C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000341655176 1015640290 /nfs/dbraw/zinc/64/02/90/1015640290.db2.gz HSEHXOFNNRWMHO-LJQANCHMSA-N 2 2 309.388 3.596 20 0 DHADLP C[C@H]1CCC[C@@H]([NH+]2CCC(n3c[nH+]c4c3CCCC4)CC2)C1 ZINC000628371471 1015638323 /nfs/dbraw/zinc/63/83/23/1015638323.db2.gz IPZCSDUXUIWXMP-DOTOQJQBSA-N 2 2 301.478 3.978 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)c1cccnc1 ZINC000896720979 1015714438 /nfs/dbraw/zinc/71/44/38/1015714438.db2.gz KOZIBCGJWOZHPY-IXDOHACOSA-N 2 2 321.534 3.584 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341760006 1015724691 /nfs/dbraw/zinc/72/46/91/1015724691.db2.gz XITVKGSDZROZJF-ZBFHGGJFSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341760006 1015724695 /nfs/dbraw/zinc/72/46/95/1015724695.db2.gz XITVKGSDZROZJF-ZBFHGGJFSA-N 2 2 308.853 3.628 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](CNc1cc(C)[nH+]c3ccc(F)cc13)CCC2 ZINC000443893194 1015780477 /nfs/dbraw/zinc/78/04/77/1015780477.db2.gz CUGVISVEMCJKSO-AWEZNQCLSA-N 2 2 324.403 3.599 20 0 DHADLP CCCc1cc(N(C)CCCn2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000443890560 1015782473 /nfs/dbraw/zinc/78/24/73/1015782473.db2.gz BGMBXLSMJURSSQ-UHFFFAOYSA-N 2 2 308.429 3.910 20 0 DHADLP CCC1([NH+](C)C)CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000640016091 1015910997 /nfs/dbraw/zinc/91/09/97/1015910997.db2.gz SUPBNYMKBRBTIR-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(C4CCCCC4)n3)C[C@@H]21 ZINC000342092725 1015952398 /nfs/dbraw/zinc/95/23/98/1015952398.db2.gz VWODUAWKRPXMLG-BHYGNILZSA-N 2 2 319.518 3.750 20 0 DHADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(C4CCCCC4)n3)C[C@@H]21 ZINC000342092725 1015952404 /nfs/dbraw/zinc/95/24/04/1015952404.db2.gz VWODUAWKRPXMLG-BHYGNILZSA-N 2 2 319.518 3.750 20 0 DHADLP CCSc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000150982323 1016002122 /nfs/dbraw/zinc/00/21/22/1016002122.db2.gz FOYCENYVSUIZIC-CABCVRRESA-N 2 2 315.486 3.969 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)C2 ZINC000150975812 1016002990 /nfs/dbraw/zinc/00/29/90/1016002990.db2.gz WBAAKBMGSYTLOD-AAEUAGOBSA-N 2 2 307.800 3.650 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1F ZINC000150981630 1016004113 /nfs/dbraw/zinc/00/41/13/1016004113.db2.gz CPCQPXLMAPOVFT-JSGCOSHPSA-N 2 2 319.449 3.718 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1F ZINC000151302645 1016032954 /nfs/dbraw/zinc/03/29/54/1016032954.db2.gz LUTBJJJXJJPCSA-HNNXBMFYSA-N 2 2 309.388 3.921 20 0 DHADLP CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000151356973 1016037382 /nfs/dbraw/zinc/03/73/82/1016037382.db2.gz UQOURAMVRPIKPU-MRXNPFEDSA-N 2 2 323.444 3.560 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000151351873 1016037730 /nfs/dbraw/zinc/03/77/30/1016037730.db2.gz RHLZSXUNLPUBHS-OAHLLOKOSA-N 2 2 309.388 3.921 20 0 DHADLP CCCC[C@@H](COC)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151699080 1016136297 /nfs/dbraw/zinc/13/62/97/1016136297.db2.gz GFIYNFDEGHKSKB-WBVHZDCISA-N 2 2 301.434 3.728 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892119583 1016260725 /nfs/dbraw/zinc/26/07/25/1016260725.db2.gz FWQNCYCBORHNKP-AWEZNQCLSA-N 2 2 314.395 3.927 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892119583 1016260729 /nfs/dbraw/zinc/26/07/29/1016260729.db2.gz FWQNCYCBORHNKP-AWEZNQCLSA-N 2 2 314.395 3.927 20 0 DHADLP CCOc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(C)c1 ZINC000657344530 1016388021 /nfs/dbraw/zinc/38/80/21/1016388021.db2.gz BAUOZCNMFIZAKL-UHFFFAOYSA-N 2 2 313.445 3.771 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000387244081 1016410588 /nfs/dbraw/zinc/41/05/88/1016410588.db2.gz RAXRZFBPLJQVDO-ZWKOTPCHSA-N 2 2 304.478 3.617 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000281516813 1016550754 /nfs/dbraw/zinc/55/07/54/1016550754.db2.gz HMTXHRNLGOBPTN-QZTJIDSGSA-N 2 2 324.472 3.903 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268893 1016546210 /nfs/dbraw/zinc/54/62/10/1016546210.db2.gz HWHZBALVNRMNSS-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268893 1016546217 /nfs/dbraw/zinc/54/62/17/1016546217.db2.gz HWHZBALVNRMNSS-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268893 1016546222 /nfs/dbraw/zinc/54/62/22/1016546222.db2.gz HWHZBALVNRMNSS-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268893 1016546230 /nfs/dbraw/zinc/54/62/30/1016546230.db2.gz HWHZBALVNRMNSS-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C)c(Cl)c1)CCC2 ZINC000443993484 1016569539 /nfs/dbraw/zinc/56/95/39/1016569539.db2.gz JFOXFLSSKLGUSV-OAHLLOKOSA-N 2 2 303.837 3.821 20 0 DHADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C[C@@H]12 ZINC000346862019 1016604402 /nfs/dbraw/zinc/60/44/02/1016604402.db2.gz WIKWGZKIMZRDRZ-GAJTVXKRSA-N 2 2 318.770 3.528 20 0 DHADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C[C@@H]12 ZINC000346862019 1016604409 /nfs/dbraw/zinc/60/44/09/1016604409.db2.gz WIKWGZKIMZRDRZ-GAJTVXKRSA-N 2 2 318.770 3.528 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000346937923 1016645796 /nfs/dbraw/zinc/64/57/96/1016645796.db2.gz GZMIHGHIPVLWEF-CRAIPNDOSA-N 2 2 303.409 3.863 20 0 DHADLP CO[C@H](c1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1)[C@H](C)[NH3+] ZINC000629741913 1016689380 /nfs/dbraw/zinc/68/93/80/1016689380.db2.gz HLIKSOARJILYBZ-YWZLYKJASA-N 2 2 321.424 3.633 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2[nH]1 ZINC000623356953 1016987565 /nfs/dbraw/zinc/98/75/65/1016987565.db2.gz QIARTXXZXBSPJH-PBHICJAKSA-N 2 2 314.477 3.722 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2[nH]1 ZINC000623356953 1016987577 /nfs/dbraw/zinc/98/75/77/1016987577.db2.gz QIARTXXZXBSPJH-PBHICJAKSA-N 2 2 314.477 3.722 20 0 DHADLP C[C@@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(C)(C)C ZINC000670268382 1017000192 /nfs/dbraw/zinc/00/01/92/1017000192.db2.gz ZTOQKACTJQJZJS-HOTGVXAUSA-N 2 2 303.494 3.879 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623445391 1017049666 /nfs/dbraw/zinc/04/96/66/1017049666.db2.gz OZSROIMULXBOLX-AWEZNQCLSA-N 2 2 312.404 3.559 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623445391 1017049667 /nfs/dbraw/zinc/04/96/67/1017049667.db2.gz OZSROIMULXBOLX-AWEZNQCLSA-N 2 2 312.404 3.559 20 0 DHADLP CC(C)[C@H]1C[C@@H]([N@@H+]2Cc3cccc(Br)c3C2)CC[NH2+]1 ZINC001246794373 1032203837 /nfs/dbraw/zinc/20/38/37/1032203837.db2.gz DXGMVVAXSNRSDQ-XJKSGUPXSA-N 2 2 323.278 3.541 20 0 DHADLP CC(C)[C@H]1C[C@@H]([N@H+]2Cc3cccc(Br)c3C2)CC[NH2+]1 ZINC001246794373 1032203844 /nfs/dbraw/zinc/20/38/44/1032203844.db2.gz DXGMVVAXSNRSDQ-XJKSGUPXSA-N 2 2 323.278 3.541 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000362158510 1032251921 /nfs/dbraw/zinc/25/19/21/1032251921.db2.gz YEMSEQCIFKUMBC-RXVVDRJESA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000362158510 1032251936 /nfs/dbraw/zinc/25/19/36/1032251936.db2.gz YEMSEQCIFKUMBC-RXVVDRJESA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ccncc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000362158510 1032251950 /nfs/dbraw/zinc/25/19/50/1032251950.db2.gz YEMSEQCIFKUMBC-RXVVDRJESA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ccncc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000362158510 1032251965 /nfs/dbraw/zinc/25/19/65/1032251965.db2.gz YEMSEQCIFKUMBC-RXVVDRJESA-N 2 2 323.484 3.732 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@H+](C)[C@@H]1CCCC[NH2+]C1 ZINC001247005227 1032357816 /nfs/dbraw/zinc/35/78/16/1032357816.db2.gz VIVXHGFDPVKZFR-SWLSCSKDSA-N 2 2 311.267 3.584 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@@H+](C)[C@@H]1CCCC[NH2+]C1 ZINC001247005227 1032357828 /nfs/dbraw/zinc/35/78/28/1032357828.db2.gz VIVXHGFDPVKZFR-SWLSCSKDSA-N 2 2 311.267 3.584 20 0 DHADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000477927535 1033369164 /nfs/dbraw/zinc/36/91/64/1033369164.db2.gz OMQCZJNYEKUDKZ-HUBLWGQQSA-N 2 2 316.367 3.576 20 0 DHADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000477927535 1033369180 /nfs/dbraw/zinc/36/91/80/1033369180.db2.gz OMQCZJNYEKUDKZ-HUBLWGQQSA-N 2 2 316.367 3.576 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C ZINC000537636086 1032441325 /nfs/dbraw/zinc/44/13/25/1032441325.db2.gz KKLGXOILEVXAKU-YJBOKZPZSA-N 2 2 316.489 3.705 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C ZINC000537636086 1032441328 /nfs/dbraw/zinc/44/13/28/1032441328.db2.gz KKLGXOILEVXAKU-YJBOKZPZSA-N 2 2 316.489 3.705 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C ZINC000537636086 1032441332 /nfs/dbraw/zinc/44/13/32/1032441332.db2.gz KKLGXOILEVXAKU-YJBOKZPZSA-N 2 2 316.489 3.705 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C ZINC000537636086 1032441335 /nfs/dbraw/zinc/44/13/35/1032441335.db2.gz KKLGXOILEVXAKU-YJBOKZPZSA-N 2 2 316.489 3.705 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000152911560 1017087800 /nfs/dbraw/zinc/08/78/00/1017087800.db2.gz OOLBKJDKNSMLCF-UHFFFAOYSA-N 2 2 308.429 3.511 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000152911560 1017087825 /nfs/dbraw/zinc/08/78/25/1017087825.db2.gz OOLBKJDKNSMLCF-UHFFFAOYSA-N 2 2 308.429 3.511 20 0 DHADLP C[N@@H+](Cc1cnc(C2CCCC2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000092253504 1032485970 /nfs/dbraw/zinc/48/59/70/1032485970.db2.gz XLPXZRDYXUGGHL-AWEZNQCLSA-N 2 2 307.507 3.574 20 0 DHADLP C[N@H+](Cc1cnc(C2CCCC2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000092253504 1032485973 /nfs/dbraw/zinc/48/59/73/1032485973.db2.gz XLPXZRDYXUGGHL-AWEZNQCLSA-N 2 2 307.507 3.574 20 0 DHADLP C[NH+](Cc1cnc(C2CCCC2)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253504 1032485981 /nfs/dbraw/zinc/48/59/81/1032485981.db2.gz XLPXZRDYXUGGHL-AWEZNQCLSA-N 2 2 307.507 3.574 20 0 DHADLP C[NH+](Cc1cnc(C2CCCC2)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253504 1032485984 /nfs/dbraw/zinc/48/59/84/1032485984.db2.gz XLPXZRDYXUGGHL-AWEZNQCLSA-N 2 2 307.507 3.574 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)CC[NH+]1C ZINC000093644566 1032550566 /nfs/dbraw/zinc/55/05/66/1032550566.db2.gz VFCQGMIAYGAFDB-STQMWFEESA-N 2 2 321.515 3.786 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3cccs3)s2)CC[N@@H+]1C ZINC000093644566 1032550547 /nfs/dbraw/zinc/55/05/47/1032550547.db2.gz VFCQGMIAYGAFDB-STQMWFEESA-N 2 2 321.515 3.786 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3cccs3)s2)CC[N@H+]1C ZINC000093644566 1032550552 /nfs/dbraw/zinc/55/05/52/1032550552.db2.gz VFCQGMIAYGAFDB-STQMWFEESA-N 2 2 321.515 3.786 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)CC[NH+]1C ZINC000093644566 1032550556 /nfs/dbraw/zinc/55/05/56/1032550556.db2.gz VFCQGMIAYGAFDB-STQMWFEESA-N 2 2 321.515 3.786 20 0 DHADLP [NH3+]C[C@H](C[N@@H+]1CCCC[C@H]1c1nccs1)c1ccc(F)cc1 ZINC000424307934 1011989743 /nfs/dbraw/zinc/98/97/43/1011989743.db2.gz YRXZMFSAVPIXTF-ZBFHGGJFSA-N 2 2 319.449 3.552 20 0 DHADLP [NH3+]C[C@H](C[N@H+]1CCCC[C@H]1c1nccs1)c1ccc(F)cc1 ZINC000424307934 1011989750 /nfs/dbraw/zinc/98/97/50/1011989750.db2.gz YRXZMFSAVPIXTF-ZBFHGGJFSA-N 2 2 319.449 3.552 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546518 1012090775 /nfs/dbraw/zinc/09/07/75/1012090775.db2.gz PWIUQUVNIQKSTG-MAUKXSAKSA-N 3 2 324.472 3.506 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(F)cn1 ZINC000092742849 1012453691 /nfs/dbraw/zinc/45/36/91/1012453691.db2.gz GJXOTJCQKHNOGE-OAHLLOKOSA-N 2 2 319.468 3.916 20 0 DHADLP Cc1cc2[nH]ccc2c(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)[nH+]1 ZINC001167087086 1012794077 /nfs/dbraw/zinc/79/40/77/1012794077.db2.gz HZLCCAHSKGWTRX-UHFFFAOYSA-N 2 2 320.371 3.600 20 0 DHADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2csc(-c3cccs3)n2)C1 ZINC000623656665 1017156204 /nfs/dbraw/zinc/15/62/04/1017156204.db2.gz ZSVBBCWARHMYRX-ZDUSSCGKSA-N 2 2 321.515 3.693 20 0 DHADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2csc(-c3cccs3)n2)C1 ZINC000623656665 1017156209 /nfs/dbraw/zinc/15/62/09/1017156209.db2.gz ZSVBBCWARHMYRX-ZDUSSCGKSA-N 2 2 321.515 3.693 20 0 DHADLP CC[C@@H]1COCC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063273 1017192813 /nfs/dbraw/zinc/19/28/13/1017192813.db2.gz MOUAUPFXSBCAGT-JENIJYKNSA-N 2 2 316.489 3.539 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000657527881 1017193354 /nfs/dbraw/zinc/19/33/54/1017193354.db2.gz ZFUWHJLNUCEVFH-RUXDESIVSA-N 2 2 306.416 3.818 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000657527881 1017193359 /nfs/dbraw/zinc/19/33/59/1017193359.db2.gz ZFUWHJLNUCEVFH-RUXDESIVSA-N 2 2 306.416 3.818 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000657563387 1017406214 /nfs/dbraw/zinc/40/62/14/1017406214.db2.gz NTHUMRKQFZMCGR-NXHRZFHOSA-N 2 2 301.478 3.570 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000657563387 1017406224 /nfs/dbraw/zinc/40/62/24/1017406224.db2.gz NTHUMRKQFZMCGR-NXHRZFHOSA-N 2 2 301.478 3.570 20 0 DHADLP Fc1ccc(S[C@@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000623852298 1017543950 /nfs/dbraw/zinc/54/39/50/1017543950.db2.gz SHGAFCAWLXAKMN-IAGOWNOFSA-N 2 2 319.449 3.715 20 0 DHADLP FC(F)(F)C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000353113594 1017558467 /nfs/dbraw/zinc/55/84/67/1017558467.db2.gz UFFQPENIMIMXSW-UHFFFAOYSA-N 2 2 309.335 3.695 20 0 DHADLP Cc1cc(C(F)(F)F)cc(N2C(C)(C)CC([NH3+])CC2(C)C)[nH+]1 ZINC001167624036 1017683200 /nfs/dbraw/zinc/68/32/00/1017683200.db2.gz IXMWHUDKKLESSS-UHFFFAOYSA-N 2 2 315.383 3.894 20 0 DHADLP CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000219172243 1017797449 /nfs/dbraw/zinc/79/74/49/1017797449.db2.gz WZNNCVBOXNFAJH-IAGOWNOFSA-N 2 2 301.459 3.636 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000182869266 1017964443 /nfs/dbraw/zinc/96/44/43/1017964443.db2.gz RZOGXXANJFQECH-HXUWFJFHSA-N 2 2 305.425 3.961 20 0 DHADLP c1cn2c([nH+]1)[C@H](C[NH2+]C1CC(Sc3ccccc3)C1)CCC2 ZINC000925173778 1017984468 /nfs/dbraw/zinc/98/44/68/1017984468.db2.gz ZJYVRYFCNJZHKD-UQPPLGOBSA-N 2 2 313.470 3.673 20 0 DHADLP Oc1ccc2c(c1)C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000625728415 1018031536 /nfs/dbraw/zinc/03/15/36/1018031536.db2.gz ORKMCRDOVFXNEW-UHFFFAOYSA-N 2 2 322.452 3.894 20 0 DHADLP Oc1ccc2c(c1)C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000625728415 1018031544 /nfs/dbraw/zinc/03/15/44/1018031544.db2.gz ORKMCRDOVFXNEW-UHFFFAOYSA-N 2 2 322.452 3.894 20 0 DHADLP CCC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccnc1 ZINC000184986726 1018101080 /nfs/dbraw/zinc/10/10/80/1018101080.db2.gz SLPXMHBWGSZPCP-FQEVSTJZSA-N 2 2 320.440 3.957 20 0 DHADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)sc1C ZINC000185683237 1018124580 /nfs/dbraw/zinc/12/45/80/1018124580.db2.gz UQEPQXUOTFMPHL-HIFRSBDPSA-N 2 2 307.507 3.503 20 0 DHADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)sc1C ZINC000185683237 1018124582 /nfs/dbraw/zinc/12/45/82/1018124582.db2.gz UQEPQXUOTFMPHL-HIFRSBDPSA-N 2 2 307.507 3.503 20 0 DHADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC001168530700 1018170417 /nfs/dbraw/zinc/17/04/17/1018170417.db2.gz PQDFTHOEXRFIFQ-QKLQHJQFSA-N 2 2 300.490 3.575 20 0 DHADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC001168530700 1018170422 /nfs/dbraw/zinc/17/04/22/1018170422.db2.gz PQDFTHOEXRFIFQ-QKLQHJQFSA-N 2 2 300.490 3.575 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155145278 1018250662 /nfs/dbraw/zinc/25/06/62/1018250662.db2.gz UBJYOBBMHZFUNT-WMLDXEAASA-N 2 2 313.445 3.869 20 0 DHADLP COc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000193308496 1018267471 /nfs/dbraw/zinc/26/74/71/1018267471.db2.gz MZOIWWHYYLGFQQ-HXUWFJFHSA-N 2 2 321.424 3.661 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)o1 ZINC000447530786 1018407897 /nfs/dbraw/zinc/40/78/97/1018407897.db2.gz NQMJTRQLSQSWEX-HNNXBMFYSA-N 2 2 309.413 3.992 20 0 DHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2OC(F)F)CC1 ZINC000263730948 1032764872 /nfs/dbraw/zinc/76/48/72/1032764872.db2.gz PVEOGMSNIKPQMV-UHFFFAOYSA-N 2 2 312.404 3.593 20 0 DHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2OC(F)F)CC1 ZINC000263730948 1032764873 /nfs/dbraw/zinc/76/48/73/1032764873.db2.gz PVEOGMSNIKPQMV-UHFFFAOYSA-N 2 2 312.404 3.593 20 0 DHADLP C[C@H](C[NH2+]Cc1ncc(C(C)(C)C)s1)C[NH+]1CCCCC1 ZINC000447945211 1018503355 /nfs/dbraw/zinc/50/33/55/1018503355.db2.gz VPYMEQYGCYXYPE-CQSZACIVSA-N 2 2 309.523 3.652 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC1 ZINC000675734060 1018567669 /nfs/dbraw/zinc/56/76/69/1018567669.db2.gz YYPPJFHEZVEWJL-MRXNPFEDSA-N 2 2 308.853 3.628 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261643335 1018620322 /nfs/dbraw/zinc/62/03/22/1018620322.db2.gz XEEHBWIUYSHTHL-CVEARBPZSA-N 2 2 323.278 3.586 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261643335 1018620328 /nfs/dbraw/zinc/62/03/28/1018620328.db2.gz XEEHBWIUYSHTHL-CVEARBPZSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cncc(F)c1 ZINC000675924685 1018626618 /nfs/dbraw/zinc/62/66/18/1018626618.db2.gz ZXQMFCXYPZVURK-KDOFPFPSSA-N 2 2 324.403 3.589 20 0 DHADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cs1 ZINC000650754916 1018679455 /nfs/dbraw/zinc/67/94/55/1018679455.db2.gz UYHNXCSDLCXOAZ-LLVKDONJSA-N 2 2 307.438 3.715 20 0 DHADLP CC(C)c1nc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cs1 ZINC000650754917 1018681014 /nfs/dbraw/zinc/68/10/14/1018681014.db2.gz UYHNXCSDLCXOAZ-NSHDSACASA-N 2 2 307.438 3.715 20 0 DHADLP CC[NH+](Cc1ccoc1)[C@H](C)CC[N@@H+](CC)Cc1ccoc1 ZINC000676477666 1018738542 /nfs/dbraw/zinc/73/85/42/1018738542.db2.gz ASZQGBFKVKNXCU-MRXNPFEDSA-N 2 2 304.434 3.995 20 0 DHADLP CC[NH+](Cc1ccoc1)[C@H](C)CC[N@H+](CC)Cc1ccoc1 ZINC000676477666 1018738557 /nfs/dbraw/zinc/73/85/57/1018738557.db2.gz ASZQGBFKVKNXCU-MRXNPFEDSA-N 2 2 304.434 3.995 20 0 DHADLP CC[NH+](CC[C@@H](C)[N@H+](CC)Cc1ccoc1)Cc1ccoc1 ZINC000676477666 1018738566 /nfs/dbraw/zinc/73/85/66/1018738566.db2.gz ASZQGBFKVKNXCU-MRXNPFEDSA-N 2 2 304.434 3.995 20 0 DHADLP CC[NH+](CC[C@@H](C)[N@@H+](CC)Cc1ccoc1)Cc1ccoc1 ZINC000676477666 1018738577 /nfs/dbraw/zinc/73/85/77/1018738577.db2.gz ASZQGBFKVKNXCU-MRXNPFEDSA-N 2 2 304.434 3.995 20 0 DHADLP Cc1cccc2c1CC[C@H]([NH+]1CCC(Oc3cc[nH+]cc3)CC1)C2 ZINC001171566355 1032788596 /nfs/dbraw/zinc/78/85/96/1032788596.db2.gz VTCNCQRNWZSKBO-SFHVURJKSA-N 2 2 322.452 3.791 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)C)nc2C)C[C@H]1C ZINC000339011002 1032791177 /nfs/dbraw/zinc/79/11/77/1032791177.db2.gz OMPKQEKVQWDLQN-CRAIPNDOSA-N 2 2 303.494 3.818 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)C)nc2C)C[C@H]1C ZINC000339011002 1032791187 /nfs/dbraw/zinc/79/11/87/1032791187.db2.gz OMPKQEKVQWDLQN-CRAIPNDOSA-N 2 2 303.494 3.818 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(CSC(F)F)o2)CC1 ZINC000125269339 1032789302 /nfs/dbraw/zinc/78/93/02/1032789302.db2.gz REITWTRTLOGCRR-UHFFFAOYSA-N 2 2 318.433 3.652 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(CSC(F)F)o2)CC1 ZINC000125269339 1032789310 /nfs/dbraw/zinc/78/93/10/1032789310.db2.gz REITWTRTLOGCRR-UHFFFAOYSA-N 2 2 318.433 3.652 20 0 DHADLP c1ccc([C@@H](C[NH2+][C@H]2CCCSCC2)[NH+]2CCCC2)cc1 ZINC000657817250 1018845447 /nfs/dbraw/zinc/84/54/47/1018845447.db2.gz NFQBIWVBGNDRTJ-ZWKOTPCHSA-N 2 2 304.503 3.699 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)C)nc2C)C[C@H]1C ZINC000339011002 1032791162 /nfs/dbraw/zinc/79/11/62/1032791162.db2.gz OMPKQEKVQWDLQN-CRAIPNDOSA-N 2 2 303.494 3.818 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)C)nc2C)C[C@H]1C ZINC000339011002 1032791169 /nfs/dbraw/zinc/79/11/69/1032791169.db2.gz OMPKQEKVQWDLQN-CRAIPNDOSA-N 2 2 303.494 3.818 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c(F)c1 ZINC000386316572 1018912244 /nfs/dbraw/zinc/91/22/44/1018912244.db2.gz VEVKOBPXANHJLC-OAHLLOKOSA-N 2 2 308.441 3.607 20 0 DHADLP C[C@@H]1C[N@H+](CCCc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000566855100 1018937341 /nfs/dbraw/zinc/93/73/41/1018937341.db2.gz ACIGPLWIKPZIML-ABAIWWIYSA-N 2 2 301.261 3.595 20 0 DHADLP C[C@@H]1C[N@@H+](CCCc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000566855100 1018937352 /nfs/dbraw/zinc/93/73/52/1018937352.db2.gz ACIGPLWIKPZIML-ABAIWWIYSA-N 2 2 301.261 3.595 20 0 DHADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+][C@H]2CCCSCC2)cc1 ZINC000657829577 1018959690 /nfs/dbraw/zinc/95/96/90/1018959690.db2.gz GHXGQWXSYBZGRH-ZWKOTPCHSA-N 2 2 304.503 3.699 20 0 DHADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584232563 1019038314 /nfs/dbraw/zinc/03/83/14/1019038314.db2.gz ZJNVRNYOQCICEJ-CZUORRHYSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584232563 1019038330 /nfs/dbraw/zinc/03/83/30/1019038330.db2.gz ZJNVRNYOQCICEJ-CZUORRHYSA-N 2 2 323.278 3.586 20 0 DHADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(F)cc(F)c2F)CC1(C)C ZINC001171619793 1032803584 /nfs/dbraw/zinc/80/35/84/1032803584.db2.gz QIHGBWYABKRQGX-UHFFFAOYSA-N 2 2 314.395 3.845 20 0 DHADLP Clc1cccc(OCCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961780 1019134084 /nfs/dbraw/zinc/13/40/84/1019134084.db2.gz BYOUAAXSDPUFAX-CQSZACIVSA-N 2 2 319.836 3.712 20 0 DHADLP Clc1cccc(OCCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961780 1019134097 /nfs/dbraw/zinc/13/40/97/1019134097.db2.gz BYOUAAXSDPUFAX-CQSZACIVSA-N 2 2 319.836 3.712 20 0 DHADLP c1nc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)sc1-c1ccccc1 ZINC000666997102 1032810724 /nfs/dbraw/zinc/81/07/24/1032810724.db2.gz XAKNMEDGPKHYNZ-HNNXBMFYSA-N 2 2 313.470 3.574 20 0 DHADLP C[NH+]1C(C)(C)CC([NH+]2CCC([NH3+])(CC3CCC3)CC2)CC1(C)C ZINC001171627113 1032811618 /nfs/dbraw/zinc/81/16/18/1032811618.db2.gz KKKRPHISKIGZSD-UHFFFAOYSA-N 3 2 321.553 3.621 20 0 DHADLP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC001172876581 1033449385 /nfs/dbraw/zinc/44/93/85/1033449385.db2.gz NHMDAPMORBAEEJ-ZDUSSCGKSA-N 2 2 312.910 3.847 20 0 DHADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000858245385 1032814510 /nfs/dbraw/zinc/81/45/10/1032814510.db2.gz RTPAWMBEODLGAG-GFCCVEGCSA-N 2 2 318.433 3.557 20 0 DHADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000858245385 1032814526 /nfs/dbraw/zinc/81/45/26/1032814526.db2.gz RTPAWMBEODLGAG-GFCCVEGCSA-N 2 2 318.433 3.557 20 0 DHADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCC3)C2)cc1 ZINC001171665502 1032818505 /nfs/dbraw/zinc/81/85/05/1032818505.db2.gz HFRMFRYIMZXTLJ-PXNSSMCTSA-N 2 2 300.490 3.780 20 0 DHADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)cc1 ZINC001171665502 1032818513 /nfs/dbraw/zinc/81/85/13/1032818513.db2.gz HFRMFRYIMZXTLJ-PXNSSMCTSA-N 2 2 300.490 3.780 20 0 DHADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000090668062 1019410878 /nfs/dbraw/zinc/41/08/78/1019410878.db2.gz WLRSNPKGVVEATC-KXBFYZLASA-N 2 2 301.478 3.631 20 0 DHADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000090668065 1019411206 /nfs/dbraw/zinc/41/12/06/1019411206.db2.gz WLRSNPKGVVEATC-DNVCBOLYSA-N 2 2 301.478 3.631 20 0 DHADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072170 1019499992 /nfs/dbraw/zinc/49/99/92/1019499992.db2.gz BWKGTMJERNZDMS-QGZVFWFLSA-N 2 2 313.445 3.824 20 0 DHADLP CC(C)COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072170 1019499997 /nfs/dbraw/zinc/49/99/97/1019499997.db2.gz BWKGTMJERNZDMS-QGZVFWFLSA-N 2 2 313.445 3.824 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000268776510 1019512966 /nfs/dbraw/zinc/51/29/66/1019512966.db2.gz RVPQLCYLXNSXCB-HXUWFJFHSA-N 2 2 321.399 3.848 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000093241117 1019572558 /nfs/dbraw/zinc/57/25/58/1019572558.db2.gz PSDBPGBDTNROLF-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000093241117 1019572564 /nfs/dbraw/zinc/57/25/64/1019572564.db2.gz PSDBPGBDTNROLF-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCc3cc(F)c(F)cc3C2)CC1(C)C ZINC001171644739 1032837783 /nfs/dbraw/zinc/83/77/83/1032837783.db2.gz LSRUTVAZHPNDGC-UHFFFAOYSA-N 2 2 322.443 3.974 20 0 DHADLP C[NH+]1C(C)(C)CC([N@H+]2CCc3cc(F)c(F)cc3C2)CC1(C)C ZINC001171644739 1032837797 /nfs/dbraw/zinc/83/77/97/1032837797.db2.gz LSRUTVAZHPNDGC-UHFFFAOYSA-N 2 2 322.443 3.974 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C(F)F)nc1 ZINC000657869589 1019630127 /nfs/dbraw/zinc/63/01/27/1019630127.db2.gz XUDZCDMJXAKMQO-CYBMUJFWSA-N 2 2 320.387 3.957 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]Cc2cnc3ccccc3c2)c[nH+]1 ZINC000727468782 1019719354 /nfs/dbraw/zinc/71/93/54/1019719354.db2.gz LWXSZULKDHLWCF-UHFFFAOYSA-N 2 2 314.392 3.710 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)cc(C(F)(F)F)c1 ZINC001143457421 1019747578 /nfs/dbraw/zinc/74/75/78/1019747578.db2.gz HJXKPTKNVHWHEI-UHFFFAOYSA-N 2 2 311.351 3.732 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)cc(C(F)(F)F)c1 ZINC001143457421 1019747595 /nfs/dbraw/zinc/74/75/95/1019747595.db2.gz HJXKPTKNVHWHEI-UHFFFAOYSA-N 2 2 311.351 3.732 20 0 DHADLP C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000647342852 1019761594 /nfs/dbraw/zinc/76/15/94/1019761594.db2.gz XJGJYJDHOVFRMF-KYJSFNMBSA-N 2 2 313.445 3.869 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)s1 ZINC000347610510 1019781632 /nfs/dbraw/zinc/78/16/32/1019781632.db2.gz LRVJIWFCECPJEF-MRXNPFEDSA-N 2 2 307.507 3.749 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H]2C2CCCCC2)s1 ZINC000347610510 1019781650 /nfs/dbraw/zinc/78/16/50/1019781650.db2.gz LRVJIWFCECPJEF-MRXNPFEDSA-N 2 2 307.507 3.749 20 0 DHADLP Oc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000685468015 1019854358 /nfs/dbraw/zinc/85/43/58/1019854358.db2.gz AITWZGKXFOZFTB-PMACEKPBSA-N 2 2 319.408 3.607 20 0 DHADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000064615997 1019868752 /nfs/dbraw/zinc/86/87/52/1019868752.db2.gz SMNKUSRKMMWCRJ-CYBMUJFWSA-N 2 2 324.877 3.996 20 0 DHADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000064615997 1019868767 /nfs/dbraw/zinc/86/87/67/1019868767.db2.gz SMNKUSRKMMWCRJ-CYBMUJFWSA-N 2 2 324.877 3.996 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ncc[nH]1 ZINC000285530426 1019872947 /nfs/dbraw/zinc/87/29/47/1019872947.db2.gz FJNXJUAHVGSJGH-HOTGVXAUSA-N 2 2 312.461 3.635 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ncc[nH]1 ZINC000285530426 1019872960 /nfs/dbraw/zinc/87/29/60/1019872960.db2.gz FJNXJUAHVGSJGH-HOTGVXAUSA-N 2 2 312.461 3.635 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cc2ccncc2s1 ZINC000657892593 1019873418 /nfs/dbraw/zinc/87/34/18/1019873418.db2.gz CSRNAGZQCCXKIO-TZMCWYRMSA-N 2 2 312.442 3.721 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000157784733 1019908302 /nfs/dbraw/zinc/90/83/02/1019908302.db2.gz AYMARHVGQRMVLL-DOTOQJQBSA-N 2 2 324.415 3.813 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000157784733 1019908307 /nfs/dbraw/zinc/90/83/07/1019908307.db2.gz AYMARHVGQRMVLL-DOTOQJQBSA-N 2 2 324.415 3.813 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@@H]3c3ccccc3)cc2)c[nH+]1 ZINC000657714245 1020007499 /nfs/dbraw/zinc/00/74/99/1020007499.db2.gz SSBQYDVYYUBUSJ-WOJBJXKFSA-N 2 2 303.409 3.908 20 0 DHADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000685662350 1020022858 /nfs/dbraw/zinc/02/28/58/1020022858.db2.gz WWGCAOFAZYTYAA-BXUZGUMPSA-N 2 2 322.239 3.851 20 0 DHADLP CCc1cc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359712700 1020022943 /nfs/dbraw/zinc/02/29/43/1020022943.db2.gz CKLLAYZHIWGGFD-KDOFPFPSSA-N 2 2 310.445 3.595 20 0 DHADLP CCc1cc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359712700 1020022955 /nfs/dbraw/zinc/02/29/55/1020022955.db2.gz CKLLAYZHIWGGFD-KDOFPFPSSA-N 2 2 310.445 3.595 20 0 DHADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000685662352 1020024359 /nfs/dbraw/zinc/02/43/59/1020024359.db2.gz WWGCAOFAZYTYAA-RISCZKNCSA-N 2 2 322.239 3.851 20 0 DHADLP COC1([C@@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCC1 ZINC000658022943 1020094261 /nfs/dbraw/zinc/09/42/61/1020094261.db2.gz GJAAYICLCNPXOD-CYBMUJFWSA-N 2 2 319.836 3.573 20 0 DHADLP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccoc1 ZINC000658294094 1020285757 /nfs/dbraw/zinc/28/57/57/1020285757.db2.gz FZRQDOPLTXMELV-OALUTQOASA-N 2 2 320.477 3.600 20 0 DHADLP CC(C)c1[nH+]ccn1Cc1cccc(Nc2ccc[nH+]c2N)c1 ZINC001212401934 1020329618 /nfs/dbraw/zinc/32/96/18/1020329618.db2.gz NCVILCYXCYPSSN-UHFFFAOYSA-N 2 2 307.401 3.776 20 0 DHADLP Cc1ccc2sc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)nc2c1 ZINC000625142456 1020387530 /nfs/dbraw/zinc/38/75/30/1020387530.db2.gz ZGLRTAUCBMTFDZ-CQSZACIVSA-N 2 2 312.442 3.638 20 0 DHADLP Cc1ccc2sc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)nc2c1 ZINC000625142456 1020387543 /nfs/dbraw/zinc/38/75/43/1020387543.db2.gz ZGLRTAUCBMTFDZ-CQSZACIVSA-N 2 2 312.442 3.638 20 0 DHADLP CCCc1ccc(CNc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001168635355 1020448494 /nfs/dbraw/zinc/44/84/94/1020448494.db2.gz INZCULHQVBBZLY-HXUWFJFHSA-N 2 2 323.484 3.784 20 0 DHADLP CCCc1ccc(CNc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001168635355 1020448502 /nfs/dbraw/zinc/44/85/02/1020448502.db2.gz INZCULHQVBBZLY-HXUWFJFHSA-N 2 2 323.484 3.784 20 0 DHADLP C[C@H](C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC000474716824 1020527446 /nfs/dbraw/zinc/52/74/46/1020527446.db2.gz ZQXRDXWUYTXVJJ-IWMBGFJWSA-N 2 2 306.416 3.816 20 0 DHADLP C[C@H](C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC000474716824 1020527450 /nfs/dbraw/zinc/52/74/50/1020527450.db2.gz ZQXRDXWUYTXVJJ-IWMBGFJWSA-N 2 2 306.416 3.816 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)c1ccc2c(c1)CCO2 ZINC000765908077 1020573307 /nfs/dbraw/zinc/57/33/07/1020573307.db2.gz XIYRLNPDQUAYCW-ZWKOTPCHSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)c1ccc2c(c1)CCO2 ZINC000765908077 1020573312 /nfs/dbraw/zinc/57/33/12/1020573312.db2.gz XIYRLNPDQUAYCW-ZWKOTPCHSA-N 2 2 302.462 3.537 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCC(C(F)(F)F)CC1 ZINC000353919213 1020576725 /nfs/dbraw/zinc/57/67/25/1020576725.db2.gz XKLJMPUMSLFMHP-HSBZDZAISA-N 2 2 303.372 3.620 20 0 DHADLP COc1cccc2c(N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000570212226 1020659227 /nfs/dbraw/zinc/65/92/27/1020659227.db2.gz CQNJZSQKCHMWPG-ZIAGYGMSSA-N 2 2 311.429 3.589 20 0 DHADLP COc1cccc2c(N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000570212226 1020659234 /nfs/dbraw/zinc/65/92/34/1020659234.db2.gz CQNJZSQKCHMWPG-ZIAGYGMSSA-N 2 2 311.429 3.589 20 0 DHADLP c1ccc(C[NH+]2CC(CNc3[nH+]ccc4ccccc43)C2)cc1 ZINC000716222558 1020748602 /nfs/dbraw/zinc/74/86/02/1020748602.db2.gz QGQNTIRFRKNPLV-UHFFFAOYSA-N 2 2 303.409 3.779 20 0 DHADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958752 1032927040 /nfs/dbraw/zinc/92/70/40/1032927040.db2.gz HCPYCIVTRZSFJG-UONOGXRCSA-N 2 2 314.395 3.710 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000647498647 1020776701 /nfs/dbraw/zinc/77/67/01/1020776701.db2.gz LVKHVOKDGKGZSQ-WBMJQRKESA-N 2 2 319.449 3.508 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000647498647 1020776711 /nfs/dbraw/zinc/77/67/11/1020776711.db2.gz LVKHVOKDGKGZSQ-WBMJQRKESA-N 2 2 319.449 3.508 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC(C)(C)C1 ZINC000708818625 1020836960 /nfs/dbraw/zinc/83/69/60/1020836960.db2.gz MSBPXCCFNQLXOY-QFBILLFUSA-N 2 2 300.490 3.923 20 0 DHADLP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)c1 ZINC000414123844 1020915732 /nfs/dbraw/zinc/91/57/32/1020915732.db2.gz BXRBLTGEMSRYNS-VNQPRFMTSA-N 2 2 315.848 3.846 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000766270346 1021003057 /nfs/dbraw/zinc/00/30/57/1021003057.db2.gz AQZHOEDHGMVJQU-SJORKVTESA-N 2 2 309.457 3.884 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000766270346 1021003063 /nfs/dbraw/zinc/00/30/63/1021003063.db2.gz AQZHOEDHGMVJQU-SJORKVTESA-N 2 2 309.457 3.884 20 0 DHADLP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000414297424 1021071220 /nfs/dbraw/zinc/07/12/20/1021071220.db2.gz HOKTXNQUSIEWSZ-IAGOWNOFSA-N 2 2 301.478 3.855 20 0 DHADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H](C)Cc1ccc(C(F)(F)F)cc1)C2 ZINC001171969761 1032953830 /nfs/dbraw/zinc/95/38/30/1032953830.db2.gz LHWZJCCZYAGYJP-GFCCVEGCSA-N 2 2 323.362 3.657 20 0 DHADLP Cc1[nH+]cc2n1CC[N@H+]([C@H](C)Cc1ccc(C(F)(F)F)cc1)C2 ZINC001171969761 1032953843 /nfs/dbraw/zinc/95/38/43/1032953843.db2.gz LHWZJCCZYAGYJP-GFCCVEGCSA-N 2 2 323.362 3.657 20 0 DHADLP c1sc(C[NH2+]CCC[NH+]2CCCCC2)nc1-c1ccccc1 ZINC000236587579 1021272828 /nfs/dbraw/zinc/27/28/28/1021272828.db2.gz IORSLJYSJBSHNB-UHFFFAOYSA-N 2 2 315.486 3.776 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000252134637 1021274244 /nfs/dbraw/zinc/27/42/44/1021274244.db2.gz LIHVPIDOVIAGQM-WMZOPIPTSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000252134637 1021274251 /nfs/dbraw/zinc/27/42/51/1021274251.db2.gz LIHVPIDOVIAGQM-WMZOPIPTSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000252134637 1021274261 /nfs/dbraw/zinc/27/42/61/1021274261.db2.gz LIHVPIDOVIAGQM-WMZOPIPTSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000252134637 1021274270 /nfs/dbraw/zinc/27/42/70/1021274270.db2.gz LIHVPIDOVIAGQM-WMZOPIPTSA-N 2 2 304.453 3.912 20 0 DHADLP CC[C@@H]1COCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984035 1032964712 /nfs/dbraw/zinc/96/47/12/1032964712.db2.gz BWGVMYWZESCMLT-MOPGFXCFSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1COCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984035 1032964725 /nfs/dbraw/zinc/96/47/25/1032964725.db2.gz BWGVMYWZESCMLT-MOPGFXCFSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1COCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984035 1032964736 /nfs/dbraw/zinc/96/47/36/1032964736.db2.gz BWGVMYWZESCMLT-MOPGFXCFSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1COCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984035 1032964745 /nfs/dbraw/zinc/96/47/45/1032964745.db2.gz BWGVMYWZESCMLT-MOPGFXCFSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cc2)C1 ZINC000252207702 1021278793 /nfs/dbraw/zinc/27/87/93/1021278793.db2.gz VLZAKXOBANKQNS-AEFFLSMTSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(F)cc2)C1 ZINC000252207702 1021278803 /nfs/dbraw/zinc/27/88/03/1021278803.db2.gz VLZAKXOBANKQNS-AEFFLSMTSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000252207702 1021278813 /nfs/dbraw/zinc/27/88/13/1021278813.db2.gz VLZAKXOBANKQNS-AEFFLSMTSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000252207702 1021278823 /nfs/dbraw/zinc/27/88/23/1021278823.db2.gz VLZAKXOBANKQNS-AEFFLSMTSA-N 2 2 304.453 3.912 20 0 DHADLP CCC[N@@H+](Cc1c(C)cc(Cl)nc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236842282 1021347123 /nfs/dbraw/zinc/34/71/23/1021347123.db2.gz DNRKOTGCGMWKDJ-LBPRGKRZSA-N 2 2 316.276 3.518 20 0 DHADLP CCC[N@H+](Cc1c(C)cc(Cl)nc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236842282 1021347140 /nfs/dbraw/zinc/34/71/40/1021347140.db2.gz DNRKOTGCGMWKDJ-LBPRGKRZSA-N 2 2 316.276 3.518 20 0 DHADLP C(=C/c1ccncc1)\C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337415428 1032981339 /nfs/dbraw/zinc/98/13/39/1032981339.db2.gz ZDPBBPOSPZLDIR-YZTRRJNXSA-N 2 2 322.456 3.507 20 0 DHADLP C(=C/c1ccncc1)\C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337415428 1032981350 /nfs/dbraw/zinc/98/13/50/1032981350.db2.gz ZDPBBPOSPZLDIR-YZTRRJNXSA-N 2 2 322.456 3.507 20 0 DHADLP CCC[NH+](CCC)c1ccc(NCc2c[nH+]c(C)n2C)cc1 ZINC000850337991 1021478950 /nfs/dbraw/zinc/47/89/50/1021478950.db2.gz CAEQPWBLKRGVJX-UHFFFAOYSA-N 2 2 300.450 3.967 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000850495138 1021564334 /nfs/dbraw/zinc/56/43/34/1021564334.db2.gz XEVPGFXYBUGGKU-RBUKOAKNSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000850495138 1021564345 /nfs/dbraw/zinc/56/43/45/1021564345.db2.gz XEVPGFXYBUGGKU-RBUKOAKNSA-N 2 2 316.489 3.617 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000556205090 1021602391 /nfs/dbraw/zinc/60/23/91/1021602391.db2.gz KYZMBMHQKDZARE-MLYOOKFZSA-N 2 2 315.505 3.850 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000556205090 1021602394 /nfs/dbraw/zinc/60/23/94/1021602394.db2.gz KYZMBMHQKDZARE-MLYOOKFZSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683653 1021651028 /nfs/dbraw/zinc/65/10/28/1021651028.db2.gz SEDSYZDVFDACAO-NUJGCVRESA-N 2 2 302.462 3.711 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683653 1021651034 /nfs/dbraw/zinc/65/10/34/1021651034.db2.gz SEDSYZDVFDACAO-NUJGCVRESA-N 2 2 302.462 3.711 20 0 DHADLP C[C@H](CC[NH2+][C@@H]1CCc2cccnc21)[N@H+](C)Cc1ccccc1 ZINC000379646894 1021657216 /nfs/dbraw/zinc/65/72/16/1021657216.db2.gz JQQCKXJBJNUISN-VQIMIIECSA-N 2 2 309.457 3.569 20 0 DHADLP C[C@H](CC[NH2+][C@@H]1CCc2cccnc21)[N@@H+](C)Cc1ccccc1 ZINC000379646894 1021657223 /nfs/dbraw/zinc/65/72/23/1021657223.db2.gz JQQCKXJBJNUISN-VQIMIIECSA-N 2 2 309.457 3.569 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)C2 ZINC001172106018 1033005113 /nfs/dbraw/zinc/00/51/13/1033005113.db2.gz MJMQUBMNNZYQAA-JTJHWIPRSA-N 2 2 321.468 3.776 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)C2 ZINC001172106018 1033005130 /nfs/dbraw/zinc/00/51/30/1033005130.db2.gz MJMQUBMNNZYQAA-JTJHWIPRSA-N 2 2 321.468 3.776 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000565222946 1021804542 /nfs/dbraw/zinc/80/45/42/1021804542.db2.gz STEMTIPEMMQUTD-POZPTJLLSA-N 2 2 310.388 3.552 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000565222946 1021804555 /nfs/dbraw/zinc/80/45/55/1021804555.db2.gz STEMTIPEMMQUTD-POZPTJLLSA-N 2 2 310.388 3.552 20 0 DHADLP CO[C@@H]1CC[N@H+](Cc2c(C)cc(C(C)(C)C)cc2C)[C@H](C[NH3+])C1 ZINC000261920652 1021853251 /nfs/dbraw/zinc/85/32/51/1021853251.db2.gz RLCCOAXMWRIZCZ-ZWKOTPCHSA-N 2 2 318.505 3.539 20 0 DHADLP CO[C@@H]1CC[N@@H+](Cc2c(C)cc(C(C)(C)C)cc2C)[C@H](C[NH3+])C1 ZINC000261920652 1021853262 /nfs/dbraw/zinc/85/32/62/1021853262.db2.gz RLCCOAXMWRIZCZ-ZWKOTPCHSA-N 2 2 318.505 3.539 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3c4ccccc4oc3C1)C2 ZINC001172123538 1033023493 /nfs/dbraw/zinc/02/34/93/1033023493.db2.gz DXIPUTUUMGEQKR-ZSHCYNCHSA-N 2 2 310.441 3.806 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3c4ccccc4oc3C1)C2 ZINC001172123538 1033023509 /nfs/dbraw/zinc/02/35/09/1033023509.db2.gz DXIPUTUUMGEQKR-ZSHCYNCHSA-N 2 2 310.441 3.806 20 0 DHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3c4ccccc4oc3C1)C2 ZINC001172123538 1033023523 /nfs/dbraw/zinc/02/35/23/1033023523.db2.gz DXIPUTUUMGEQKR-ZSHCYNCHSA-N 2 2 310.441 3.806 20 0 DHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3c4ccccc4oc3C1)C2 ZINC001172123538 1033023540 /nfs/dbraw/zinc/02/35/40/1033023540.db2.gz DXIPUTUUMGEQKR-ZSHCYNCHSA-N 2 2 310.441 3.806 20 0 DHADLP Cc1cc2cc(NCCc3cn4ccccc4[nH+]3)ccc2c[nH+]1 ZINC001169009139 1022212047 /nfs/dbraw/zinc/21/20/47/1022212047.db2.gz MGQYSUHNLRWLSS-UHFFFAOYSA-N 2 2 302.381 3.846 20 0 DHADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@@H]2CSc3ccccc3C2)c1 ZINC001172202808 1033039325 /nfs/dbraw/zinc/03/93/25/1033039325.db2.gz ULMOUDRMSUWPNJ-KRWDZBQOSA-N 2 2 321.449 3.898 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001169068603 1022239119 /nfs/dbraw/zinc/23/91/19/1022239119.db2.gz QSQDGPYBLDOTTN-VQTJNVASSA-N 2 2 300.490 3.718 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001169068603 1022239131 /nfs/dbraw/zinc/23/91/31/1022239131.db2.gz QSQDGPYBLDOTTN-VQTJNVASSA-N 2 2 300.490 3.718 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Br ZINC001169099316 1022246632 /nfs/dbraw/zinc/24/66/32/1022246632.db2.gz PNVSCQBLUBOWSQ-FQUUOJAGSA-N 2 2 323.278 3.725 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Br ZINC001169099316 1022246634 /nfs/dbraw/zinc/24/66/34/1022246634.db2.gz PNVSCQBLUBOWSQ-FQUUOJAGSA-N 2 2 323.278 3.725 20 0 DHADLP Cc1ccccc1[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001169080994 1022251255 /nfs/dbraw/zinc/25/12/55/1022251255.db2.gz OSMGYKFHPOSMTH-RCLSDMTESA-N 2 2 321.468 3.694 20 0 DHADLP Cc1ccccc1[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001169080994 1022251261 /nfs/dbraw/zinc/25/12/61/1022251261.db2.gz OSMGYKFHPOSMTH-RCLSDMTESA-N 2 2 321.468 3.694 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C(C)(C)C)CCOCC1)c1ccccc1 ZINC000153978782 1022267794 /nfs/dbraw/zinc/26/77/94/1022267794.db2.gz VVZHMIXPNZCMKI-SJORKVTESA-N 2 2 318.505 3.911 20 0 DHADLP CC(C)Oc1ccc[nH+]c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169145207 1022277541 /nfs/dbraw/zinc/27/75/41/1022277541.db2.gz CKYVUGWOQIEZBL-KDOFPFPSSA-N 2 2 305.466 3.824 20 0 DHADLP Cc1nc(C)c([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000111361281 1022283612 /nfs/dbraw/zinc/28/36/12/1022283612.db2.gz WYVHZAGSRHFDRH-JSGCOSHPSA-N 2 2 306.479 3.722 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001169155793 1022286173 /nfs/dbraw/zinc/28/61/73/1022286173.db2.gz VHHCTEPALWZBRT-LOUJCGABSA-N 2 2 306.400 3.727 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001169155793 1022286182 /nfs/dbraw/zinc/28/61/82/1022286182.db2.gz VHHCTEPALWZBRT-LOUJCGABSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001169155793 1022286191 /nfs/dbraw/zinc/28/61/91/1022286191.db2.gz VHHCTEPALWZBRT-LOUJCGABSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1c(F)cccc1F)C2 ZINC001169155793 1022286203 /nfs/dbraw/zinc/28/62/03/1022286203.db2.gz VHHCTEPALWZBRT-LOUJCGABSA-N 2 2 306.400 3.727 20 0 DHADLP COc1c[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c2[nH]ccc21 ZINC001169140404 1022291097 /nfs/dbraw/zinc/29/10/97/1022291097.db2.gz FYJBOWDAKUUDQY-KPZWWZAWSA-N 2 2 316.449 3.527 20 0 DHADLP CC1(C)CC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)OC1 ZINC001169217699 1022305415 /nfs/dbraw/zinc/30/54/15/1022305415.db2.gz PHSHLFAASPUAGE-GOSISDBHSA-N 2 2 319.493 3.581 20 0 DHADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CSc3ccccc3C2)c1 ZINC001172202810 1033040424 /nfs/dbraw/zinc/04/04/24/1033040424.db2.gz ULMOUDRMSUWPNJ-QGZVFWFLSA-N 2 2 321.449 3.898 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC001169237978 1022320946 /nfs/dbraw/zinc/32/09/46/1022320946.db2.gz DTQIEEJAJDLRHL-SFTDATJTSA-N 2 2 324.468 3.535 20 0 DHADLP CC[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccncc2)CC1 ZINC001169245154 1022322060 /nfs/dbraw/zinc/32/20/60/1022322060.db2.gz ANHMVCDRCQUMGF-UHFFFAOYSA-N 2 2 309.457 3.568 20 0 DHADLP CC[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccncc2)CC1 ZINC001169245154 1022322076 /nfs/dbraw/zinc/32/20/76/1022322076.db2.gz ANHMVCDRCQUMGF-UHFFFAOYSA-N 2 2 309.457 3.568 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCOc3c(F)cccc32)CC1 ZINC000363899777 1022398182 /nfs/dbraw/zinc/39/81/82/1022398182.db2.gz YAAIQWJKNXUIJP-MRXNPFEDSA-N 2 2 306.425 3.502 20 0 DHADLP CC(C)CO[C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1(C)C ZINC000538394859 1033050466 /nfs/dbraw/zinc/05/04/66/1033050466.db2.gz RWNIWJTVLGWOSP-DLBZAZTESA-N 2 2 319.493 3.703 20 0 DHADLP c1[nH+]c2cc(NCC[C@H]3CCC[NH2+]3)ccc2n1-c1ccccc1 ZINC001169564220 1022451927 /nfs/dbraw/zinc/45/19/27/1022451927.db2.gz LHQXHUMLSQTERN-OAHLLOKOSA-N 2 2 306.413 3.580 20 0 DHADLP CC[NH+](CC)C1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172201239 1033059400 /nfs/dbraw/zinc/05/94/00/1033059400.db2.gz GEWVEELNDRQCNJ-KRWDZBQOSA-N 2 2 304.503 3.510 20 0 DHADLP C[NH+](C)CCC(C)(C)Nc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001169719127 1022520029 /nfs/dbraw/zinc/52/00/29/1022520029.db2.gz YKXRXLSCCZPBGQ-UHFFFAOYSA-N 2 2 314.355 3.724 20 0 DHADLP CCCc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000621328751 1022709500 /nfs/dbraw/zinc/70/95/00/1022709500.db2.gz CDIQJMWMMWLGCR-UHFFFAOYSA-N 2 2 315.486 3.854 20 0 DHADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000768087558 1022875750 /nfs/dbraw/zinc/87/57/50/1022875750.db2.gz UAXZFASKVPBLCD-ZIAGYGMSSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OC(F)F)cc1 ZINC000163849573 1022932745 /nfs/dbraw/zinc/93/27/45/1022932745.db2.gz AKSQHBLFIUSSHO-CYBMUJFWSA-N 2 2 321.371 3.836 20 0 DHADLP C[C@@H](Cc1ccco1)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000768516528 1022989504 /nfs/dbraw/zinc/98/95/04/1022989504.db2.gz WZPWMJLFUOUBGR-AOIWGVFYSA-N 2 2 312.457 3.711 20 0 DHADLP C[C@@H](Cc1ccco1)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000768516528 1022989512 /nfs/dbraw/zinc/98/95/12/1022989512.db2.gz WZPWMJLFUOUBGR-AOIWGVFYSA-N 2 2 312.457 3.711 20 0 DHADLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000538559162 1033101478 /nfs/dbraw/zinc/10/14/78/1033101478.db2.gz YGNZYZWFWFMTEY-RBUKOAKNSA-N 2 2 324.472 3.785 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000364353955 1023077049 /nfs/dbraw/zinc/07/70/49/1023077049.db2.gz NWCDINOLMBZLMF-ZWKOTPCHSA-N 2 2 319.493 3.585 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000364353955 1023077064 /nfs/dbraw/zinc/07/70/64/1023077064.db2.gz NWCDINOLMBZLMF-ZWKOTPCHSA-N 2 2 319.493 3.585 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250524356 1023086366 /nfs/dbraw/zinc/08/63/66/1023086366.db2.gz FUVINPDYPJDAAV-STQMWFEESA-N 2 2 304.821 3.803 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250524356 1023086377 /nfs/dbraw/zinc/08/63/77/1023086377.db2.gz FUVINPDYPJDAAV-STQMWFEESA-N 2 2 304.821 3.803 20 0 DHADLP Cc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2n1 ZINC000322763502 1023161618 /nfs/dbraw/zinc/16/16/18/1023161618.db2.gz GXPYRCMRMROYLD-VQTJNVASSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2n1 ZINC000322763502 1023161620 /nfs/dbraw/zinc/16/16/20/1023161620.db2.gz GXPYRCMRMROYLD-VQTJNVASSA-N 2 2 309.457 3.650 20 0 DHADLP CCCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000876651173 1033114706 /nfs/dbraw/zinc/11/47/06/1033114706.db2.gz QZHVNYAHUUJCCR-UHFFFAOYSA-N 2 2 313.445 3.817 20 0 DHADLP C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000320579985 1023238671 /nfs/dbraw/zinc/23/86/71/1023238671.db2.gz XSNIBZBAYKRJOR-INIZCTEOSA-N 2 2 301.478 3.856 20 0 DHADLP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172330533 1033118372 /nfs/dbraw/zinc/11/83/72/1033118372.db2.gz LWEGWWQRPVOCSB-HZPDHXFCSA-N 2 2 306.450 3.519 20 0 DHADLP CC[N@H+](CCC[NH2+]Cc1ccnn1C(C)C)C1CCCCC1 ZINC000651910001 1023631447 /nfs/dbraw/zinc/63/14/47/1023631447.db2.gz DCVNJTAYZAAWBV-UHFFFAOYSA-N 2 2 306.498 3.598 20 0 DHADLP CC[N@@H+](CCC[NH2+]Cc1ccnn1C(C)C)C1CCCCC1 ZINC000651910001 1023631450 /nfs/dbraw/zinc/63/14/50/1023631450.db2.gz DCVNJTAYZAAWBV-UHFFFAOYSA-N 2 2 306.498 3.598 20 0 DHADLP C[C@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)[C@H]1CC[NH3+] ZINC000652356020 1023813736 /nfs/dbraw/zinc/81/37/36/1023813736.db2.gz QGAOHXFBPBZLKU-BBRMVZONSA-N 2 2 307.507 3.750 20 0 DHADLP C[C@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)[C@H]1CC[NH3+] ZINC000652356020 1023813739 /nfs/dbraw/zinc/81/37/39/1023813739.db2.gz QGAOHXFBPBZLKU-BBRMVZONSA-N 2 2 307.507 3.750 20 0 DHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCCCCCC3)C2)cc1 ZINC000788009657 1023836069 /nfs/dbraw/zinc/83/60/69/1023836069.db2.gz PBKXPHFPEGSSOZ-HXUWFJFHSA-N 2 2 316.489 3.544 20 0 DHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCCCCCC3)C2)cc1 ZINC000788009657 1023836072 /nfs/dbraw/zinc/83/60/72/1023836072.db2.gz PBKXPHFPEGSSOZ-HXUWFJFHSA-N 2 2 316.489 3.544 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+][C@@H]1COCc2cccc(Cl)c21)C(C)(C)C ZINC000788602153 1023911270 /nfs/dbraw/zinc/91/12/70/1023911270.db2.gz AFPZHOQRBCINDA-HZPDHXFCSA-N 2 2 324.896 3.867 20 0 DHADLP ClC1(Cl)C[C@H]1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000876886186 1033176732 /nfs/dbraw/zinc/17/67/32/1033176732.db2.gz WEQUXWLLKZDNFH-LSDHHAIUSA-N 2 2 313.272 3.607 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1SC ZINC000268766844 1024155530 /nfs/dbraw/zinc/15/55/30/1024155530.db2.gz JPJSCGCYCQZADT-BPUTZDHNSA-N 2 2 320.502 3.695 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1SC ZINC000268766844 1024155536 /nfs/dbraw/zinc/15/55/36/1024155536.db2.gz JPJSCGCYCQZADT-BPUTZDHNSA-N 2 2 320.502 3.695 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000268809951 1024167001 /nfs/dbraw/zinc/16/70/01/1024167001.db2.gz KPWDDKQLSJQJOD-CVEARBPZSA-N 2 2 306.413 3.684 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000268851743 1024179872 /nfs/dbraw/zinc/17/98/72/1024179872.db2.gz WMRBMEOJNLKJOM-NEPJUHHUSA-N 2 2 313.323 3.521 20 0 DHADLP CCC(CC)(C[NH2+]Cc1c[nH+]c(C)n1C)c1ccc(F)cc1 ZINC000663354071 1024193932 /nfs/dbraw/zinc/19/39/32/1024193932.db2.gz JFMBPVMCPGCUTA-UHFFFAOYSA-N 2 2 303.425 3.715 20 0 DHADLP CSC(C)(C)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000876970227 1033194430 /nfs/dbraw/zinc/19/44/30/1033194430.db2.gz LVCPGJQEERNLPX-UHFFFAOYSA-N 2 2 307.438 3.633 20 0 DHADLP CC[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+](CC)CC)C1CCOCC1 ZINC000531677840 1024267545 /nfs/dbraw/zinc/26/75/45/1024267545.db2.gz DGQRWXXIJNJHNC-WOJBJXKFSA-N 2 2 318.505 3.864 20 0 DHADLP Brc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269615038 1024297262 /nfs/dbraw/zinc/29/72/62/1024297262.db2.gz GKCOZJWYXQHKGL-ZDUSSCGKSA-N 2 2 320.234 3.552 20 0 DHADLP Brc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269615038 1024297271 /nfs/dbraw/zinc/29/72/71/1024297271.db2.gz GKCOZJWYXQHKGL-ZDUSSCGKSA-N 2 2 320.234 3.552 20 0 DHADLP Clc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269766649 1024313933 /nfs/dbraw/zinc/31/39/33/1024313933.db2.gz MTARMCVNPMECDU-MLGOLLRUSA-N 2 2 301.821 3.930 20 0 DHADLP Clc1cccc2c1CC[C@H]2[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269766649 1024313946 /nfs/dbraw/zinc/31/39/46/1024313946.db2.gz MTARMCVNPMECDU-MLGOLLRUSA-N 2 2 301.821 3.930 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)CCCc1cccnc1)[NH+]1CCC(C)CC1 ZINC000453092240 1024325167 /nfs/dbraw/zinc/32/51/67/1024325167.db2.gz QQTNMIXIDGZMPC-ZWKOTPCHSA-N 2 2 303.494 3.503 20 0 DHADLP CCC[C@H](C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000883258076 1024327912 /nfs/dbraw/zinc/32/79/12/1024327912.db2.gz QQJSXSOQTBGBGV-YQVWRLOYSA-N 2 2 303.494 3.708 20 0 DHADLP CCC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000883258076 1024327927 /nfs/dbraw/zinc/32/79/27/1024327927.db2.gz QQJSXSOQTBGBGV-YQVWRLOYSA-N 2 2 303.494 3.708 20 0 DHADLP CCC[C@H](C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000883258075 1024328654 /nfs/dbraw/zinc/32/86/54/1024328654.db2.gz QQJSXSOQTBGBGV-SCTDSRPQSA-N 2 2 303.494 3.708 20 0 DHADLP CCC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000883258075 1024328665 /nfs/dbraw/zinc/32/86/65/1024328665.db2.gz QQJSXSOQTBGBGV-SCTDSRPQSA-N 2 2 303.494 3.708 20 0 DHADLP CC(C)OCC[C@@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172441678 1033203067 /nfs/dbraw/zinc/20/30/67/1033203067.db2.gz CWDQIUGSZOIHIS-GOSISDBHSA-N 2 2 318.505 3.786 20 0 DHADLP CC(C)OCC[C@@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172441678 1033203079 /nfs/dbraw/zinc/20/30/79/1033203079.db2.gz CWDQIUGSZOIHIS-GOSISDBHSA-N 2 2 318.505 3.786 20 0 DHADLP C[C@H](C[NH2+]Cc1c(Cl)oc2ccccc21)Cn1cc[nH+]c1 ZINC000270501893 1024398427 /nfs/dbraw/zinc/39/84/27/1024398427.db2.gz MPNITACDTZWPRS-GFCCVEGCSA-N 2 2 303.793 3.709 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386569 1024420171 /nfs/dbraw/zinc/42/01/71/1024420171.db2.gz INGOJTQCHWXSIE-APWZRJJASA-N 2 2 309.413 3.828 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387056 1024420676 /nfs/dbraw/zinc/42/06/76/1024420676.db2.gz RFQLXUROECZUHX-VQIMIIECSA-N 2 2 306.413 3.679 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000883388385 1024421983 /nfs/dbraw/zinc/42/19/83/1024421983.db2.gz UDQKEYKIOVQXIX-WMZOPIPTSA-N 2 2 313.445 3.562 20 0 DHADLP C[C@H](CCC(F)(F)F)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388588 1024422896 /nfs/dbraw/zinc/42/28/96/1024422896.db2.gz YIRMGVLFIMMXPM-UKRRQHHQSA-N 2 2 311.351 3.945 20 0 DHADLP C[C@@H](CCc1cccnc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388832 1024423319 /nfs/dbraw/zinc/42/33/19/1024423319.db2.gz DUFOMCWIELTJRV-FXAWDEMLSA-N 2 2 320.440 3.630 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1Cl ZINC000925778783 1024434849 /nfs/dbraw/zinc/43/48/49/1024434849.db2.gz KYWUEIBAKBNTKX-UWVGGRQHSA-N 2 2 323.214 3.889 20 0 DHADLP Cc1cccnc1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000453304386 1024453025 /nfs/dbraw/zinc/45/30/25/1024453025.db2.gz GBFYYJBGTCBIDZ-GHTZIAJQSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cccnc1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000453304386 1024453031 /nfs/dbraw/zinc/45/30/31/1024453031.db2.gz GBFYYJBGTCBIDZ-GHTZIAJQSA-N 2 2 323.484 3.575 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000453307492 1024454722 /nfs/dbraw/zinc/45/47/22/1024454722.db2.gz LNKDFAAAUYRGHE-PXNSSMCTSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000453307492 1024454727 /nfs/dbraw/zinc/45/47/27/1024454727.db2.gz LNKDFAAAUYRGHE-PXNSSMCTSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1cc(F)ccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000337870662 1033212663 /nfs/dbraw/zinc/21/26/63/1033212663.db2.gz NMOLDNCTGSGKPD-UHFFFAOYSA-N 2 2 309.388 3.669 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502133 1024503723 /nfs/dbraw/zinc/50/37/23/1024503723.db2.gz XSOZXGJYXIUCQI-CZUORRHYSA-N 2 2 315.486 3.911 20 0 DHADLP C[C@H]([NH2+]CCC1CC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453424153 1024519678 /nfs/dbraw/zinc/51/96/78/1024519678.db2.gz NIVDPOUWGCLEBF-ZDUSSCGKSA-N 2 2 305.372 3.958 20 0 DHADLP CC(C)COCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172467102 1033217819 /nfs/dbraw/zinc/21/78/19/1033217819.db2.gz HXFCUMMXZWBSAN-KZNAEPCWSA-N 2 2 319.493 3.609 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532300959 1024600327 /nfs/dbraw/zinc/60/03/27/1024600327.db2.gz SABJOCMRNVLWEQ-UZLBHIALSA-N 2 2 324.468 3.935 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532300959 1024600333 /nfs/dbraw/zinc/60/03/33/1024600333.db2.gz SABJOCMRNVLWEQ-UZLBHIALSA-N 2 2 324.468 3.935 20 0 DHADLP CC(C)(C)c1cnc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000279078898 1024717603 /nfs/dbraw/zinc/71/76/03/1024717603.db2.gz GXSJPSBOUIKMQU-UHFFFAOYSA-N 2 2 318.490 3.818 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001168165784 1024738206 /nfs/dbraw/zinc/73/82/06/1024738206.db2.gz JEWOLYKRUIJEDA-KSSFIOAISA-N 2 2 306.881 3.735 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001168165784 1024738218 /nfs/dbraw/zinc/73/82/18/1024738218.db2.gz JEWOLYKRUIJEDA-KSSFIOAISA-N 2 2 306.881 3.735 20 0 DHADLP Clc1cccc2c1SCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151152971 1024761804 /nfs/dbraw/zinc/76/18/04/1024761804.db2.gz QSDYZKDMDDCKDL-AWEZNQCLSA-N 2 2 307.850 3.753 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)CC[N@@H+]1C ZINC000168533419 1024783426 /nfs/dbraw/zinc/78/34/26/1024783426.db2.gz KVRLSCUFMDDLNQ-XPGWFJOJSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)CC[N@H+]1C ZINC000168533419 1024783437 /nfs/dbraw/zinc/78/34/37/1024783437.db2.gz KVRLSCUFMDDLNQ-XPGWFJOJSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@@H](Cc1ccoc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000648462623 1024850311 /nfs/dbraw/zinc/85/03/11/1024850311.db2.gz VHOHAUQYIUNHBV-MAUKXSAKSA-N 2 2 309.413 3.518 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319977003 1024923215 /nfs/dbraw/zinc/92/32/15/1024923215.db2.gz JHKVOCXMQYBGMN-CZUORRHYSA-N 2 2 316.405 3.557 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(F)ccc1F ZINC000320162192 1025004572 /nfs/dbraw/zinc/00/45/72/1025004572.db2.gz XXUUXMSEAVVBJV-CYBMUJFWSA-N 2 2 317.383 3.679 20 0 DHADLP COC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000353261995 1025004910 /nfs/dbraw/zinc/00/49/10/1025004910.db2.gz DKHOMWIEWDFZGV-MRXNPFEDSA-N 2 2 319.836 3.514 20 0 DHADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC000353321381 1025026190 /nfs/dbraw/zinc/02/61/90/1025026190.db2.gz PRWVOKBLLYSKMQ-LJQANCHMSA-N 2 2 313.445 3.653 20 0 DHADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1CCCCO1 ZINC000353321381 1025026204 /nfs/dbraw/zinc/02/62/04/1025026204.db2.gz PRWVOKBLLYSKMQ-LJQANCHMSA-N 2 2 313.445 3.653 20 0 DHADLP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204674808 1025028369 /nfs/dbraw/zinc/02/83/69/1025028369.db2.gz FNTRRTSDLYHBRX-UHFFFAOYSA-N 2 2 309.457 3.558 20 0 DHADLP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204674808 1025028395 /nfs/dbraw/zinc/02/83/95/1025028395.db2.gz FNTRRTSDLYHBRX-UHFFFAOYSA-N 2 2 309.457 3.558 20 0 DHADLP COCCCC[C@H]([NH2+]CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000348320483 1025035132 /nfs/dbraw/zinc/03/51/32/1025035132.db2.gz NANDXCMQOUPXNS-FQEVSTJZSA-N 2 2 318.505 3.866 20 0 DHADLP Cc1[nH+]cn([C@@H]2CC[C@@H](c3ccccc3)C2)c1CSCC[NH3+] ZINC001172554698 1033250801 /nfs/dbraw/zinc/25/08/01/1033250801.db2.gz ZXJATFHPLDQODU-IAGOWNOFSA-N 2 2 315.486 3.892 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353607003 1025149006 /nfs/dbraw/zinc/14/90/06/1025149006.db2.gz FZFCIVUJWKRYJV-ABAIWWIYSA-N 2 2 301.821 3.588 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC000279691380 1025154726 /nfs/dbraw/zinc/15/47/26/1025154726.db2.gz IDZKVTNOAJLBHG-SFHVURJKSA-N 2 2 322.880 3.634 20 0 DHADLP Cc1[nH]c(C2CCN(c3[nH+]ccc4c(N)cccc43)CC2)[nH+]c1C ZINC000884705656 1025233055 /nfs/dbraw/zinc/23/30/55/1025233055.db2.gz COWCXVDBIDNKKI-UHFFFAOYSA-N 2 2 321.428 3.541 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCC3)s2)C[C@@H]1C ZINC000353748790 1025234866 /nfs/dbraw/zinc/23/48/66/1025234866.db2.gz JBRWQCMRQMPNND-ZFWWWQNUSA-N 2 2 307.507 3.715 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCC3)s2)C[C@@H]1C ZINC000353748790 1025234877 /nfs/dbraw/zinc/23/48/77/1025234877.db2.gz JBRWQCMRQMPNND-ZFWWWQNUSA-N 2 2 307.507 3.715 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CCC3)s2)C[C@@H]1C ZINC000353748790 1025234886 /nfs/dbraw/zinc/23/48/86/1025234886.db2.gz JBRWQCMRQMPNND-ZFWWWQNUSA-N 2 2 307.507 3.715 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)C[C@@H]1C ZINC000353748790 1025234893 /nfs/dbraw/zinc/23/48/93/1025234893.db2.gz JBRWQCMRQMPNND-ZFWWWQNUSA-N 2 2 307.507 3.715 20 0 DHADLP Clc1ccccc1C1CC([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000045105951 1025259402 /nfs/dbraw/zinc/25/94/02/1025259402.db2.gz QCFBMRZXOHUFFT-UHFFFAOYSA-N 2 2 303.837 3.853 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C[N@@H+]1C1CC1 ZINC000623834421 1025274512 /nfs/dbraw/zinc/27/45/12/1025274512.db2.gz XQBDVXMXLWLNND-TZMCWYRMSA-N 2 2 317.864 3.579 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C[N@H+]1C1CC1 ZINC000623834421 1025274532 /nfs/dbraw/zinc/27/45/32/1025274532.db2.gz XQBDVXMXLWLNND-TZMCWYRMSA-N 2 2 317.864 3.579 20 0 DHADLP Cc1ccc2nc(C[NH+]3CCC(C)([NH+]4CCCC4)CC3)ccc2c1 ZINC001137218885 1025342444 /nfs/dbraw/zinc/34/24/44/1025342444.db2.gz PWCQCZOYLNTQEJ-UHFFFAOYSA-N 2 2 323.484 3.994 20 0 DHADLP CC[N@H+](C/C(Cl)=C\Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997755 1033279589 /nfs/dbraw/zinc/27/95/89/1033279589.db2.gz WMNOXFBPBMPODR-OQLLNIDSSA-N 2 2 301.261 3.889 20 0 DHADLP CC[N@@H+](C/C(Cl)=C\Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997755 1033279604 /nfs/dbraw/zinc/27/96/04/1033279604.db2.gz WMNOXFBPBMPODR-OQLLNIDSSA-N 2 2 301.261 3.889 20 0 DHADLP Cc1coc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000886000264 1025433742 /nfs/dbraw/zinc/43/37/42/1025433742.db2.gz ZEAIXMAYBQUEJR-PBHICJAKSA-N 2 2 304.459 3.822 20 0 DHADLP Cc1coc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000886000264 1025433749 /nfs/dbraw/zinc/43/37/49/1025433749.db2.gz ZEAIXMAYBQUEJR-PBHICJAKSA-N 2 2 304.459 3.822 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000125270796 1025461578 /nfs/dbraw/zinc/46/15/78/1025461578.db2.gz FJYSKZGPMPGSPY-UHFFFAOYSA-N 2 2 316.367 3.501 20 0 DHADLP C[C@H](CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)OCc1ccccc1 ZINC000354699181 1025482124 /nfs/dbraw/zinc/48/21/24/1025482124.db2.gz FMZLXCZMDKKVPM-AEFFLSMTSA-N 2 2 313.445 3.585 20 0 DHADLP C[C@H](CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)OCc1ccccc1 ZINC000354699181 1025482129 /nfs/dbraw/zinc/48/21/29/1025482129.db2.gz FMZLXCZMDKKVPM-AEFFLSMTSA-N 2 2 313.445 3.585 20 0 DHADLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(F)c2OC)CC1 ZINC001143534671 1025548953 /nfs/dbraw/zinc/54/89/53/1025548953.db2.gz WJAPUESMCATIOW-UHFFFAOYSA-N 2 2 308.441 3.531 20 0 DHADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2OC)CC1 ZINC001143534671 1025548961 /nfs/dbraw/zinc/54/89/61/1025548961.db2.gz WJAPUESMCATIOW-UHFFFAOYSA-N 2 2 308.441 3.531 20 0 DHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCc3cccnc32)CC1 ZINC000886506369 1025661837 /nfs/dbraw/zinc/66/18/37/1025661837.db2.gz OFKSLZCUFGCEOK-FQEVSTJZSA-N 2 2 321.468 3.632 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894070445 1025687452 /nfs/dbraw/zinc/68/74/52/1025687452.db2.gz ACHBSLBYFHYUEF-LBPRGKRZSA-N 2 2 323.893 3.723 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894070445 1025687458 /nfs/dbraw/zinc/68/74/58/1025687458.db2.gz ACHBSLBYFHYUEF-LBPRGKRZSA-N 2 2 323.893 3.723 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894070445 1025687472 /nfs/dbraw/zinc/68/74/72/1025687472.db2.gz ACHBSLBYFHYUEF-LBPRGKRZSA-N 2 2 323.893 3.723 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894070445 1025687482 /nfs/dbraw/zinc/68/74/82/1025687482.db2.gz ACHBSLBYFHYUEF-LBPRGKRZSA-N 2 2 323.893 3.723 20 0 DHADLP CC[N@H+](CCC1CC1)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000355512616 1025753845 /nfs/dbraw/zinc/75/38/45/1025753845.db2.gz MXFLHBPIIUWLSR-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC[N@@H+](CCC1CC1)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000355512616 1025753859 /nfs/dbraw/zinc/75/38/59/1025753859.db2.gz MXFLHBPIIUWLSR-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC[NH+](CCC1CC1)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000355512616 1025753875 /nfs/dbraw/zinc/75/38/75/1025753875.db2.gz MXFLHBPIIUWLSR-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC[NH+](CCC1CC1)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000355512616 1025753888 /nfs/dbraw/zinc/75/38/88/1025753888.db2.gz MXFLHBPIIUWLSR-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000886651634 1025763154 /nfs/dbraw/zinc/76/31/54/1025763154.db2.gz MGJFDHKPYDRMEW-QRVBRYPASA-N 2 2 313.445 3.562 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)[nH+]c1C ZINC000886665911 1025773694 /nfs/dbraw/zinc/77/36/94/1025773694.db2.gz JHXKYBBINMGDKU-UHFFFAOYSA-N 2 2 305.372 3.684 20 0 DHADLP Fc1ccccc1CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355612812 1025786790 /nfs/dbraw/zinc/78/67/90/1025786790.db2.gz UPACZWZCSGNKFE-UHFFFAOYSA-N 2 2 309.388 3.734 20 0 DHADLP Cc1c[nH+]ccc1OC1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000355682420 1025813691 /nfs/dbraw/zinc/81/36/91/1025813691.db2.gz LNORLXSHTOVZPO-UHFFFAOYSA-N 2 2 317.820 3.795 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000886716312 1025826486 /nfs/dbraw/zinc/82/64/86/1025826486.db2.gz VMNJZJWOZNNGPI-UHFFFAOYSA-N 2 2 314.473 3.518 20 0 DHADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052005267 1026093977 /nfs/dbraw/zinc/09/39/77/1026093977.db2.gz LKNIPYMIIZDRLM-IEBWSBKVSA-N 2 2 308.510 3.532 20 0 DHADLP C[N@H+](CCOc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000533058641 1026200130 /nfs/dbraw/zinc/20/01/30/1026200130.db2.gz PBBLBLNUQXEWPO-UHFFFAOYSA-N 2 2 324.468 3.662 20 0 DHADLP C[N@@H+](CCOc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000533058641 1026200145 /nfs/dbraw/zinc/20/01/45/1026200145.db2.gz PBBLBLNUQXEWPO-UHFFFAOYSA-N 2 2 324.468 3.662 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000353747648 1026309845 /nfs/dbraw/zinc/30/98/45/1026309845.db2.gz PTCOYZCFIZQBLH-UONOGXRCSA-N 2 2 309.523 3.745 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000353747648 1026309860 /nfs/dbraw/zinc/30/98/60/1026309860.db2.gz PTCOYZCFIZQBLH-UONOGXRCSA-N 2 2 309.523 3.745 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000353747648 1026309874 /nfs/dbraw/zinc/30/98/74/1026309874.db2.gz PTCOYZCFIZQBLH-UONOGXRCSA-N 2 2 309.523 3.745 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)C[C@@H]1C ZINC000353747648 1026309886 /nfs/dbraw/zinc/30/98/86/1026309886.db2.gz PTCOYZCFIZQBLH-UONOGXRCSA-N 2 2 309.523 3.745 20 0 DHADLP Cl/C=C/C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747530972 1026405160 /nfs/dbraw/zinc/40/51/60/1026405160.db2.gz ARMQOFPEWRYNOA-YPHWWSSASA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C/C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747530972 1026405168 /nfs/dbraw/zinc/40/51/68/1026405168.db2.gz ARMQOFPEWRYNOA-YPHWWSSASA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C/C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747530972 1026405173 /nfs/dbraw/zinc/40/51/73/1026405173.db2.gz ARMQOFPEWRYNOA-YPHWWSSASA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C/C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747530972 1026405179 /nfs/dbraw/zinc/40/51/79/1026405179.db2.gz ARMQOFPEWRYNOA-YPHWWSSASA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C\C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747530971 1026405415 /nfs/dbraw/zinc/40/54/15/1026405415.db2.gz ARMQOFPEWRYNOA-PRCIHIDRSA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C\C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747530971 1026405420 /nfs/dbraw/zinc/40/54/20/1026405420.db2.gz ARMQOFPEWRYNOA-PRCIHIDRSA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C\C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747530971 1026405426 /nfs/dbraw/zinc/40/54/26/1026405426.db2.gz ARMQOFPEWRYNOA-PRCIHIDRSA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C\C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747530971 1026405437 /nfs/dbraw/zinc/40/54/37/1026405437.db2.gz ARMQOFPEWRYNOA-PRCIHIDRSA-N 2 2 304.865 3.727 20 0 DHADLP c1ccc(NCCCC[NH2+]Cc2nccc3ccccc32)[nH+]c1 ZINC000894227424 1026512621 /nfs/dbraw/zinc/51/26/21/1026512621.db2.gz YVQQPTHSNLBIFE-UHFFFAOYSA-N 2 2 306.413 3.612 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3C(C)(C)C3(C)C)CC2)cc1 ZINC000809756171 1026618393 /nfs/dbraw/zinc/61/83/93/1026618393.db2.gz RSPYHUWQKQOOMI-UHFFFAOYSA-N 2 2 315.505 3.746 20 0 DHADLP c1ccc([C@H]2C[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000280534203 1026664971 /nfs/dbraw/zinc/66/49/71/1026664971.db2.gz AEOREQBIUQGJQV-UAPYVXQJSA-N 2 2 307.441 3.586 20 0 DHADLP CC(C)COc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348528464 1026679826 /nfs/dbraw/zinc/67/98/26/1026679826.db2.gz YLQBXQRFAKPTDD-QGZVFWFLSA-N 2 2 313.445 3.824 20 0 DHADLP CC(C)COc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348528464 1026679830 /nfs/dbraw/zinc/67/98/30/1026679830.db2.gz YLQBXQRFAKPTDD-QGZVFWFLSA-N 2 2 313.445 3.824 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccccc1-c1ccccc1)C2 ZINC000810171057 1026691284 /nfs/dbraw/zinc/69/12/84/1026691284.db2.gz DVLFFQJGLDMPFC-QGZVFWFLSA-N 2 2 303.409 3.724 20 0 DHADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000420380414 1026811445 /nfs/dbraw/zinc/81/14/45/1026811445.db2.gz WPHWMCZBMWQLOU-HNNXBMFYSA-N 2 2 311.267 3.504 20 0 DHADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000420380414 1026811452 /nfs/dbraw/zinc/81/14/52/1026811452.db2.gz WPHWMCZBMWQLOU-HNNXBMFYSA-N 2 2 311.267 3.504 20 0 DHADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000295181955 1027132308 /nfs/dbraw/zinc/13/23/08/1027132308.db2.gz MVYHSDOUWCSISO-CQSZACIVSA-N 2 2 321.515 3.515 20 0 DHADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000295181955 1027132320 /nfs/dbraw/zinc/13/23/20/1027132320.db2.gz MVYHSDOUWCSISO-CQSZACIVSA-N 2 2 321.515 3.515 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCC[C@H]1CCc1ccccc1)C2 ZINC000571572742 1027134434 /nfs/dbraw/zinc/13/44/34/1027134434.db2.gz GWFTUKOFXJTBSM-RCCFBDPRSA-N 2 2 309.457 3.658 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)Cn3cc[nH+]c3)oc21 ZINC000271883892 1027170271 /nfs/dbraw/zinc/17/02/71/1027170271.db2.gz QDXBPXWLAYXTMQ-KGLIPLIRSA-N 2 2 313.401 3.767 20 0 DHADLP C([NH2+][C@@H]1CC[C@H]1C1CC1)C1([NH+]2CCSCC2)CCCCC1 ZINC000562041964 1027195641 /nfs/dbraw/zinc/19/56/41/1027195641.db2.gz SITQPGOGOMODBD-DLBZAZTESA-N 2 2 308.535 3.516 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@@H]1C[NH3+] ZINC000422560896 1027282346 /nfs/dbraw/zinc/28/23/46/1027282346.db2.gz IEXGNOZJNCGSIH-MXWKQRLJSA-N 2 2 306.397 3.572 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@@H]1C[NH3+] ZINC000422560896 1027282359 /nfs/dbraw/zinc/28/23/59/1027282359.db2.gz IEXGNOZJNCGSIH-MXWKQRLJSA-N 2 2 306.397 3.572 20 0 DHADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000573513747 1027302506 /nfs/dbraw/zinc/30/25/06/1027302506.db2.gz CUPNHHGINSNFTL-GDBMZVCRSA-N 2 2 301.409 3.926 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000573885552 1027337840 /nfs/dbraw/zinc/33/78/40/1027337840.db2.gz LIHKSCQTGBNSFI-XFNCEPBJSA-N 2 2 324.415 3.623 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000573885552 1027337858 /nfs/dbraw/zinc/33/78/58/1027337858.db2.gz LIHKSCQTGBNSFI-XFNCEPBJSA-N 2 2 324.415 3.623 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(COCc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000422853716 1027343553 /nfs/dbraw/zinc/34/35/53/1027343553.db2.gz CDRGQSWIWMMUND-LAUBAEHRSA-N 2 2 324.468 3.634 20 0 DHADLP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1Cl ZINC000422925711 1027363186 /nfs/dbraw/zinc/36/31/86/1027363186.db2.gz BLVVQEVZUULCFW-CVEARBPZSA-N 2 2 302.805 3.583 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422941910 1027368579 /nfs/dbraw/zinc/36/85/79/1027368579.db2.gz VZMASIYOVINNPE-DVOMOZLQSA-N 2 2 315.486 3.910 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422941912 1027369532 /nfs/dbraw/zinc/36/95/32/1027369532.db2.gz VZMASIYOVINNPE-IOASZLSFSA-N 2 2 315.486 3.910 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)c2ccccc21 ZINC000422951304 1027381147 /nfs/dbraw/zinc/38/11/47/1027381147.db2.gz XYBDFXDQAHQQGM-FGTMMUONSA-N 2 2 312.388 3.774 20 0 DHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cs1 ZINC000295684811 1027388992 /nfs/dbraw/zinc/38/89/92/1027388992.db2.gz LGLUEGPMSSWPQR-HNNXBMFYSA-N 2 2 315.486 3.767 20 0 DHADLP Fc1cccc(Cl)c1CCC[NH2+]CCCCn1cc[nH+]c1 ZINC000574515225 1027402340 /nfs/dbraw/zinc/40/23/40/1027402340.db2.gz VWIIFCSJWHKIEB-UHFFFAOYSA-N 2 2 309.816 3.678 20 0 DHADLP COC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000423131182 1027425381 /nfs/dbraw/zinc/42/53/81/1027425381.db2.gz ZNDBBKIAUYDXQW-KSZLIROESA-N 2 2 316.832 3.762 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cs1 ZINC000295831391 1027448900 /nfs/dbraw/zinc/44/89/00/1027448900.db2.gz FAFSUOMXUPDUGR-CYBMUJFWSA-N 2 2 312.442 3.796 20 0 DHADLP COCC1CCC([NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000423239396 1027459666 /nfs/dbraw/zinc/45/96/66/1027459666.db2.gz JYVOCOATWTXOHM-XUJQIHCRSA-N 2 2 304.478 3.605 20 0 DHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(C2CC2)c1 ZINC000423229675 1027465901 /nfs/dbraw/zinc/46/59/01/1027465901.db2.gz HPRAZBOMWSVVNM-HNNXBMFYSA-N 2 2 322.456 3.542 20 0 DHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCCO2 ZINC000423232945 1027469170 /nfs/dbraw/zinc/46/91/70/1027469170.db2.gz CVAAKEGKJZMBEE-MOPGFXCFSA-N 2 2 310.441 3.807 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1F ZINC000423242958 1027472134 /nfs/dbraw/zinc/47/21/34/1027472134.db2.gz MKAFCEUFDOZDQB-WBMJQRKESA-N 2 2 304.434 3.898 20 0 DHADLP [NH3+][C@H](C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3)c1ccccc1 ZINC000423248733 1027476203 /nfs/dbraw/zinc/47/62/03/1027476203.db2.gz SDZKXMHMXNMUTP-WOJBJXKFSA-N 2 2 322.452 3.679 20 0 DHADLP c1ccc2c(c1)NCCC[C@H]2[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423275044 1027494164 /nfs/dbraw/zinc/49/41/64/1027494164.db2.gz LJAWZNYGRNMLOO-LJQANCHMSA-N 2 2 301.478 3.835 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423300461 1027504527 /nfs/dbraw/zinc/50/45/27/1027504527.db2.gz RQZNSPRTRRYLOP-MWLCHTKSSA-N 2 2 317.296 3.605 20 0 DHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cccs2)cc1 ZINC000423329369 1027509906 /nfs/dbraw/zinc/50/99/06/1027509906.db2.gz LKYGDTVQATZNRZ-JQFCIGGWSA-N 2 2 316.470 3.553 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423328985 1027511234 /nfs/dbraw/zinc/51/12/34/1027511234.db2.gz DSNPROOHPOAAAM-KSSFIOAISA-N 2 2 315.486 3.850 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CCCSC1 ZINC000296045106 1027525863 /nfs/dbraw/zinc/52/58/63/1027525863.db2.gz OFXQCCHMMBVSTR-LBPRGKRZSA-N 2 2 307.850 3.511 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423389343 1027529951 /nfs/dbraw/zinc/52/99/51/1027529951.db2.gz JJKKDBKBYUMTKF-DBVUQKKJSA-N 2 2 312.457 3.634 20 0 DHADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423447910 1027544601 /nfs/dbraw/zinc/54/46/01/1027544601.db2.gz PGXDRVXVFJRXGY-AUTRQRHGSA-N 2 2 303.233 3.532 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000576059254 1027553342 /nfs/dbraw/zinc/55/33/42/1027553342.db2.gz VLVFWFCJWCFNRW-ROUUACIJSA-N 2 2 311.473 3.951 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000576059254 1027553350 /nfs/dbraw/zinc/55/33/50/1027553350.db2.gz VLVFWFCJWCFNRW-ROUUACIJSA-N 2 2 311.473 3.951 20 0 DHADLP Cc1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)n1 ZINC000562657454 1027556930 /nfs/dbraw/zinc/55/69/30/1027556930.db2.gz LMAUDIFYCXBDEB-GOSISDBHSA-N 2 2 323.484 3.575 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423508926 1027568173 /nfs/dbraw/zinc/56/81/73/1027568173.db2.gz RFVJYCIQFASHFI-UXHICEINSA-N 2 2 310.441 3.622 20 0 DHADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCc1c(Cl)cccc1Cl ZINC000576766529 1027658029 /nfs/dbraw/zinc/65/80/29/1027658029.db2.gz YUOPPHLQHXLVCN-RYUDHWBXSA-N 2 2 301.261 3.738 20 0 DHADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1c(Cl)cccc1Cl ZINC000576766529 1027658037 /nfs/dbraw/zinc/65/80/37/1027658037.db2.gz YUOPPHLQHXLVCN-RYUDHWBXSA-N 2 2 301.261 3.738 20 0 DHADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000576990360 1027690117 /nfs/dbraw/zinc/69/01/17/1027690117.db2.gz OSXBXXNCJJLGBU-RANZSIQMSA-N 2 2 309.457 3.829 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCC[C@@H](c3ccccc3)C1)C2 ZINC000577249884 1027733371 /nfs/dbraw/zinc/73/33/71/1027733371.db2.gz JJCHKFRUIOWZPH-FGTMMUONSA-N 2 2 309.457 3.973 20 0 DHADLP CC(C)[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527633411 1027794117 /nfs/dbraw/zinc/79/41/17/1027794117.db2.gz ZEVNVVGBYNPVCV-UHFFFAOYSA-N 2 2 306.397 3.729 20 0 DHADLP Clc1cnccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000527670960 1027816984 /nfs/dbraw/zinc/81/69/84/1027816984.db2.gz SHPBVACRCLOTTK-UHFFFAOYSA-N 2 2 307.869 3.622 20 0 DHADLP CCc1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364631474 1027861900 /nfs/dbraw/zinc/86/19/00/1027861900.db2.gz IAGLXYAECCWJNL-SFTDATJTSA-N 2 2 323.484 3.769 20 0 DHADLP CCc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364631474 1027861918 /nfs/dbraw/zinc/86/19/18/1027861918.db2.gz IAGLXYAECCWJNL-SFTDATJTSA-N 2 2 323.484 3.769 20 0 DHADLP CCc1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364631474 1027861939 /nfs/dbraw/zinc/86/19/39/1027861939.db2.gz IAGLXYAECCWJNL-SFTDATJTSA-N 2 2 323.484 3.769 20 0 DHADLP CCc1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364631474 1027861953 /nfs/dbraw/zinc/86/19/53/1027861953.db2.gz IAGLXYAECCWJNL-SFTDATJTSA-N 2 2 323.484 3.769 20 0 DHADLP CC1(C)CCC[C@H]1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000527919506 1027968749 /nfs/dbraw/zinc/96/87/49/1027968749.db2.gz RTZIRYIIGONLBP-INIZCTEOSA-N 2 2 301.478 3.856 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]CC1CCC(c3ccccc3)CC1)C2 ZINC000365612201 1027981394 /nfs/dbraw/zinc/98/13/94/1027981394.db2.gz KYJWFSKVZMJQSL-VJFUWPCTSA-N 2 2 309.457 3.831 20 0 DHADLP CCC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cccnc1 ZINC000527952489 1027985891 /nfs/dbraw/zinc/98/58/91/1027985891.db2.gz UCYJCOZAQOCUFS-MOPGFXCFSA-N 2 2 301.478 3.919 20 0 DHADLP CCC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cccnc1 ZINC000527952489 1027985903 /nfs/dbraw/zinc/98/59/03/1027985903.db2.gz UCYJCOZAQOCUFS-MOPGFXCFSA-N 2 2 301.478 3.919 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(C)c1 ZINC000528005172 1028031110 /nfs/dbraw/zinc/03/11/10/1028031110.db2.gz YNPHUZLPNHJSHY-DOTOQJQBSA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(C)c1 ZINC000528005172 1028031121 /nfs/dbraw/zinc/03/11/21/1028031121.db2.gz YNPHUZLPNHJSHY-DOTOQJQBSA-N 2 2 302.462 3.671 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1cccnc1)C1CCC1)CCC2 ZINC000366492120 1028087278 /nfs/dbraw/zinc/08/72/78/1028087278.db2.gz UKIHJIYIKVJTML-MSOLQXFVSA-N 2 2 310.445 3.595 20 0 DHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578263359 1028105667 /nfs/dbraw/zinc/10/56/67/1028105667.db2.gz ASMDZMFUNXBNBE-RCAFFNEUSA-N 2 2 320.427 3.642 20 0 DHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578263359 1028105675 /nfs/dbraw/zinc/10/56/75/1028105675.db2.gz ASMDZMFUNXBNBE-RCAFFNEUSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578263359 1028105683 /nfs/dbraw/zinc/10/56/83/1028105683.db2.gz ASMDZMFUNXBNBE-RCAFFNEUSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578263359 1028105693 /nfs/dbraw/zinc/10/56/93/1028105693.db2.gz ASMDZMFUNXBNBE-RCAFFNEUSA-N 2 2 320.427 3.642 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)CC1 ZINC000366968222 1028119036 /nfs/dbraw/zinc/11/90/36/1028119036.db2.gz CRIUZUQREUWJGB-XWQUMRBFSA-N 2 2 316.411 3.570 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(SC(F)F)cc1 ZINC000779063784 1028124523 /nfs/dbraw/zinc/12/45/23/1028124523.db2.gz DYQWRDAMNJPPRI-WCQYABFASA-N 2 2 323.412 3.863 20 0 DHADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](c1ccccc1)c1ccccn1 ZINC000367221077 1028151140 /nfs/dbraw/zinc/15/11/40/1028151140.db2.gz CIXIHNKBPYVBLC-AZUAARDMSA-N 2 2 309.457 3.587 20 0 DHADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](c1ccccc1)c1ccccn1 ZINC000367221077 1028151151 /nfs/dbraw/zinc/15/11/51/1028151151.db2.gz CIXIHNKBPYVBLC-AZUAARDMSA-N 2 2 309.457 3.587 20 0 DHADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](c1ccccc1)c1ccccn1 ZINC000367221077 1028151160 /nfs/dbraw/zinc/15/11/60/1028151160.db2.gz CIXIHNKBPYVBLC-AZUAARDMSA-N 2 2 309.457 3.587 20 0 DHADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](c1ccccc1)c1ccccn1 ZINC000367221077 1028151170 /nfs/dbraw/zinc/15/11/70/1028151170.db2.gz CIXIHNKBPYVBLC-AZUAARDMSA-N 2 2 309.457 3.587 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000367392338 1028178350 /nfs/dbraw/zinc/17/83/50/1028178350.db2.gz OSQAIJPBEKYEPR-KBXCAEBGSA-N 2 2 320.440 3.655 20 0 DHADLP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000367573610 1028206831 /nfs/dbraw/zinc/20/68/31/1028206831.db2.gz FKYJZDIQENLLHE-SJKOYZFVSA-N 2 2 306.425 3.500 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccco2)[C@H]2CCc3ccccc32)CC1 ZINC000367668950 1028224823 /nfs/dbraw/zinc/22/48/23/1028224823.db2.gz JVCCXRCZPCXDHQ-FQEVSTJZSA-N 2 2 310.441 3.863 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)[C@H]2CCc3ccccc32)CC1 ZINC000367668950 1028224835 /nfs/dbraw/zinc/22/48/35/1028224835.db2.gz JVCCXRCZPCXDHQ-FQEVSTJZSA-N 2 2 310.441 3.863 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1C(F)(F)F ZINC000367998518 1028272101 /nfs/dbraw/zinc/27/21/01/1028272101.db2.gz UEVFVSMNXXYODE-QWRGUYRKSA-N 2 2 309.335 3.637 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC3(CCCC3)Oc3ccccc31)C2 ZINC000367999653 1028272691 /nfs/dbraw/zinc/27/26/91/1028272691.db2.gz XCDYYWXEUQPQNI-KBXCAEBGSA-N 2 2 323.440 3.693 20 0 DHADLP CC[NH+]1CCC([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449059424 1028294789 /nfs/dbraw/zinc/29/47/89/1028294789.db2.gz ANSPZOCLLHSZOG-UHFFFAOYSA-N 3 2 323.569 3.740 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C(F)(F)F)c1 ZINC000368099488 1028297290 /nfs/dbraw/zinc/29/72/90/1028297290.db2.gz FQLBYJSXGVJFNB-GWCFXTLKSA-N 2 2 309.335 3.637 20 0 DHADLP Cc1ncccc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000368143385 1028310863 /nfs/dbraw/zinc/31/08/63/1028310863.db2.gz RVCVNZNBHJEYTG-VQTJNVASSA-N 2 2 318.424 3.605 20 0 DHADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000449107318 1028359408 /nfs/dbraw/zinc/35/94/08/1028359408.db2.gz PFBLZAOWHSMTTK-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000449107318 1028359427 /nfs/dbraw/zinc/35/94/27/1028359427.db2.gz PFBLZAOWHSMTTK-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP CC(C)[NH2+]C1CC[NH+]([C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000368576582 1028377867 /nfs/dbraw/zinc/37/78/67/1028377867.db2.gz KDLMTMNPORLGTM-KRWDZBQOSA-N 2 2 320.452 3.890 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000449175165 1028418668 /nfs/dbraw/zinc/41/86/68/1028418668.db2.gz QPARTIYLYRJQLO-WMZOPIPTSA-N 3 2 323.569 3.738 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000449175165 1028418669 /nfs/dbraw/zinc/41/86/69/1028418669.db2.gz QPARTIYLYRJQLO-WMZOPIPTSA-N 3 2 323.569 3.738 20 0 DHADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C(C)(C)C)n2)CC1 ZINC000368951520 1028426777 /nfs/dbraw/zinc/42/67/77/1028426777.db2.gz RHFGNUFNXFATFO-UHFFFAOYSA-N 2 2 307.507 3.501 20 0 DHADLP C[NH+]1CCC2(CCC[N@H+]2Cc2csc(C(C)(C)C)n2)CC1 ZINC000368951520 1028426784 /nfs/dbraw/zinc/42/67/84/1028426784.db2.gz RHFGNUFNXFATFO-UHFFFAOYSA-N 2 2 307.507 3.501 20 0 DHADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000579645824 1028456600 /nfs/dbraw/zinc/45/66/00/1028456600.db2.gz CZWVHQUVOUHHDA-MJJDPTRDSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000579645824 1028456606 /nfs/dbraw/zinc/45/66/06/1028456606.db2.gz CZWVHQUVOUHHDA-MJJDPTRDSA-N 2 2 308.416 3.532 20 0 DHADLP CC[NH+]1CCC([N@H+](Cc2cnc3ccccc3c2)C2CC2)CC1 ZINC000369707611 1028518149 /nfs/dbraw/zinc/51/81/49/1028518149.db2.gz UYUHRJMSKYEPAB-UHFFFAOYSA-N 2 2 309.457 3.684 20 0 DHADLP CC[NH+]1CCC([N@@H+](Cc2cnc3ccccc3c2)C2CC2)CC1 ZINC000369707611 1028518160 /nfs/dbraw/zinc/51/81/60/1028518160.db2.gz UYUHRJMSKYEPAB-UHFFFAOYSA-N 2 2 309.457 3.684 20 0 DHADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449300432 1028522074 /nfs/dbraw/zinc/52/20/74/1028522074.db2.gz DPZOJDGRUKXBNN-GOSISDBHSA-N 2 2 320.521 3.724 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000369881019 1028541317 /nfs/dbraw/zinc/54/13/17/1028541317.db2.gz DLUCKPNFHBCPTN-HIFRSBDPSA-N 2 2 301.459 3.579 20 0 DHADLP Cc1cncc([C@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000370422848 1028598415 /nfs/dbraw/zinc/59/84/15/1028598415.db2.gz SRLMOSNZNZPOKY-HNNXBMFYSA-N 2 2 315.486 3.767 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449404827 1028621031 /nfs/dbraw/zinc/62/10/31/1028621031.db2.gz FPGMXHCOINVXON-RTBURBONSA-N 2 2 315.505 3.852 20 0 DHADLP FC(F)(F)c1ccc(Cl)c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000565726162 1028627284 /nfs/dbraw/zinc/62/72/84/1028627284.db2.gz PQRQKDPVTSNHTL-UHFFFAOYSA-N 2 2 306.759 3.544 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000370629087 1028627354 /nfs/dbraw/zinc/62/73/54/1028627354.db2.gz NNTOZGGLFIUDQT-RDJZCZTQSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000370629087 1028627358 /nfs/dbraw/zinc/62/73/58/1028627358.db2.gz NNTOZGGLFIUDQT-RDJZCZTQSA-N 2 2 315.486 3.706 20 0 DHADLP Cc1sc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nc1-c1ccccc1 ZINC000370675933 1028634113 /nfs/dbraw/zinc/63/41/13/1028634113.db2.gz GTHANRZXEYMGCO-CZUORRHYSA-N 2 2 315.486 3.691 20 0 DHADLP Cc1sc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nc1-c1ccccc1 ZINC000370675933 1028634121 /nfs/dbraw/zinc/63/41/21/1028634121.db2.gz GTHANRZXEYMGCO-CZUORRHYSA-N 2 2 315.486 3.691 20 0 DHADLP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000370728614 1028643710 /nfs/dbraw/zinc/64/37/10/1028643710.db2.gz CJVJYSCYNGBALG-OAHLLOKOSA-N 2 2 307.397 3.625 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccnc1Cl ZINC000371083066 1028668371 /nfs/dbraw/zinc/66/83/71/1028668371.db2.gz ZUBVFUXHNJTGMW-OAHLLOKOSA-N 2 2 318.852 3.720 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccnc1Cl ZINC000371083066 1028668381 /nfs/dbraw/zinc/66/83/81/1028668381.db2.gz ZUBVFUXHNJTGMW-OAHLLOKOSA-N 2 2 318.852 3.720 20 0 DHADLP c1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)nc1 ZINC000566225481 1028692328 /nfs/dbraw/zinc/69/23/28/1028692328.db2.gz QBQOCOYJSHHLMS-LEWJYISDSA-N 2 2 321.468 3.855 20 0 DHADLP c1ccc(-c2cccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)nc1 ZINC000566225481 1028692333 /nfs/dbraw/zinc/69/23/33/1028692333.db2.gz QBQOCOYJSHHLMS-LEWJYISDSA-N 2 2 321.468 3.855 20 0 DHADLP COCC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(C)o1 ZINC000371533059 1028727127 /nfs/dbraw/zinc/72/71/27/1028727127.db2.gz CYZYJOHFQNZONS-GOSISDBHSA-N 2 2 320.477 3.662 20 0 DHADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000371795962 1028759542 /nfs/dbraw/zinc/75/95/42/1028759542.db2.gz KBUDPNSBOXYCID-ICSRJNTNSA-N 2 2 323.484 3.953 20 0 DHADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000371795962 1028759556 /nfs/dbraw/zinc/75/95/56/1028759556.db2.gz KBUDPNSBOXYCID-ICSRJNTNSA-N 2 2 323.484 3.953 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528768277 1028786218 /nfs/dbraw/zinc/78/62/18/1028786218.db2.gz JEOHFUGEVIFOTQ-CQSZACIVSA-N 2 2 305.372 3.800 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528768277 1028786224 /nfs/dbraw/zinc/78/62/24/1028786224.db2.gz JEOHFUGEVIFOTQ-CQSZACIVSA-N 2 2 305.372 3.800 20 0 DHADLP C[NH+]1CCC([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000371986014 1028787636 /nfs/dbraw/zinc/78/76/36/1028787636.db2.gz XCCIISVVMYGTKE-CYBMUJFWSA-N 2 2 315.244 3.501 20 0 DHADLP Cc1ccc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)o2)cc1 ZINC000449557064 1028799212 /nfs/dbraw/zinc/79/92/12/1028799212.db2.gz PKRJQVYHVIFPPO-AYHJJNSGSA-N 2 2 310.441 3.970 20 0 DHADLP Cc1ccc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)o2)cc1 ZINC000449557064 1028799229 /nfs/dbraw/zinc/79/92/29/1028799229.db2.gz PKRJQVYHVIFPPO-AYHJJNSGSA-N 2 2 310.441 3.970 20 0 DHADLP C[N@H+](Cc1ccsc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119331988 1028846973 /nfs/dbraw/zinc/84/69/73/1028846973.db2.gz XBSBLOQPBDHWNN-UHFFFAOYSA-N 2 2 300.471 3.845 20 0 DHADLP C[N@@H+](Cc1ccsc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119331988 1028846994 /nfs/dbraw/zinc/84/69/94/1028846994.db2.gz XBSBLOQPBDHWNN-UHFFFAOYSA-N 2 2 300.471 3.845 20 0 DHADLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)C1CCCC1 ZINC000372680653 1028883392 /nfs/dbraw/zinc/88/33/92/1028883392.db2.gz ITEYVYZVYZSKNZ-GOSISDBHSA-N 2 2 322.518 3.507 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC(C(F)(F)F)CC1 ZINC000567432288 1028892674 /nfs/dbraw/zinc/89/26/74/1028892674.db2.gz NZBDELUIFINHOM-IKWCTNDRSA-N 2 2 315.383 3.614 20 0 DHADLP FCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000567501328 1028906889 /nfs/dbraw/zinc/90/68/89/1028906889.db2.gz NRGBCVQIFHIOGH-KRWDZBQOSA-N 2 2 302.437 3.665 20 0 DHADLP FCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000567501328 1028906915 /nfs/dbraw/zinc/90/69/15/1028906915.db2.gz NRGBCVQIFHIOGH-KRWDZBQOSA-N 2 2 302.437 3.665 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2csc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000628183713 1028924017 /nfs/dbraw/zinc/92/40/17/1028924017.db2.gz KXNGZMLYGBYRML-ZYHUDNBSSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2csc(C(F)(F)F)c2)CC[N@H+]1C ZINC000628183713 1028924021 /nfs/dbraw/zinc/92/40/21/1028924021.db2.gz KXNGZMLYGBYRML-ZYHUDNBSSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)CC[NH+]1C ZINC000628183713 1028924025 /nfs/dbraw/zinc/92/40/25/1028924025.db2.gz KXNGZMLYGBYRML-ZYHUDNBSSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)CC[NH+]1C ZINC000628183713 1028924035 /nfs/dbraw/zinc/92/40/35/1028924035.db2.gz KXNGZMLYGBYRML-ZYHUDNBSSA-N 2 2 306.397 3.681 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccn2Cc2cccs2)CC1 ZINC000372967894 1028926212 /nfs/dbraw/zinc/92/62/12/1028926212.db2.gz PVPILTOZKZAIDB-INIZCTEOSA-N 2 2 317.502 3.514 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccn2Cc2cccs2)CC1 ZINC000372967894 1028926226 /nfs/dbraw/zinc/92/62/26/1028926226.db2.gz PVPILTOZKZAIDB-INIZCTEOSA-N 2 2 317.502 3.514 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@]4(CCSC4)C3)cc2)c[nH+]1 ZINC000449730558 1028940975 /nfs/dbraw/zinc/94/09/75/1028940975.db2.gz FJRXLQJPDXXWSV-SFHVURJKSA-N 2 2 313.470 3.591 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@]4(CCSC4)C3)cc2)c[nH+]1 ZINC000449730558 1028940991 /nfs/dbraw/zinc/94/09/91/1028940991.db2.gz FJRXLQJPDXXWSV-SFHVURJKSA-N 2 2 313.470 3.591 20 0 DHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628241406 1028959407 /nfs/dbraw/zinc/95/94/07/1028959407.db2.gz UYARJCTZQSZZDV-KSSFIOAISA-N 2 2 322.443 3.920 20 0 DHADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628241406 1028959418 /nfs/dbraw/zinc/95/94/18/1028959418.db2.gz UYARJCTZQSZZDV-KSSFIOAISA-N 2 2 322.443 3.920 20 0 DHADLP C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000373412728 1029037695 /nfs/dbraw/zinc/03/76/95/1029037695.db2.gz MXUIYGLOBYCEPK-OXQOHEQNSA-N 2 2 318.424 3.850 20 0 DHADLP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000373412728 1029037707 /nfs/dbraw/zinc/03/77/07/1029037707.db2.gz MXUIYGLOBYCEPK-OXQOHEQNSA-N 2 2 318.424 3.850 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C3CCCCC3)C2)CC1 ZINC000373484115 1029055740 /nfs/dbraw/zinc/05/57/40/1029055740.db2.gz KPHZBVKODIMQED-UHFFFAOYSA-N 2 2 304.400 3.714 20 0 DHADLP CCCC[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373481000 1029058085 /nfs/dbraw/zinc/05/80/85/1029058085.db2.gz CVCJZHDCLKULBK-LRVUVFPRSA-N 2 2 306.416 3.960 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373490868 1029061222 /nfs/dbraw/zinc/06/12/22/1029061222.db2.gz RUROARQWJBHSGK-WHPGWMBPSA-N 2 2 318.427 3.960 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccncc1Cl ZINC000817575241 1029204850 /nfs/dbraw/zinc/20/48/50/1029204850.db2.gz GOORSYJDJACLHF-DOMZBBRYSA-N 2 2 306.841 3.697 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000374271696 1029265843 /nfs/dbraw/zinc/26/58/43/1029265843.db2.gz OPILTXLKCNDCGV-QGZVFWFLSA-N 2 2 323.444 3.720 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000374271696 1029265853 /nfs/dbraw/zinc/26/58/53/1029265853.db2.gz OPILTXLKCNDCGV-QGZVFWFLSA-N 2 2 323.444 3.720 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000374273890 1029269790 /nfs/dbraw/zinc/26/97/90/1029269790.db2.gz WKCSEHSDCPVOED-KRWDZBQOSA-N 2 2 315.465 3.621 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000374273890 1029269802 /nfs/dbraw/zinc/26/98/02/1029269802.db2.gz WKCSEHSDCPVOED-KRWDZBQOSA-N 2 2 315.465 3.621 20 0 DHADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817954415 1029293702 /nfs/dbraw/zinc/29/37/02/1029293702.db2.gz COSJGQOEHORQHN-BONVTDFDSA-N 2 2 324.255 3.926 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000629561203 1029372985 /nfs/dbraw/zinc/37/29/85/1029372985.db2.gz GTKAAZQDLQUPPF-CHWSQXEVSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000629561203 1029372995 /nfs/dbraw/zinc/37/29/95/1029372995.db2.gz GTKAAZQDLQUPPF-CHWSQXEVSA-N 2 2 320.786 3.608 20 0 DHADLP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001170910240 1029412507 /nfs/dbraw/zinc/41/25/07/1029412507.db2.gz BDMIKUTYNYYBON-HZPDHXFCSA-N 2 2 318.892 3.804 20 0 DHADLP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001170910240 1029412514 /nfs/dbraw/zinc/41/25/14/1029412514.db2.gz BDMIKUTYNYYBON-HZPDHXFCSA-N 2 2 318.892 3.804 20 0 DHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569286 1029428627 /nfs/dbraw/zinc/42/86/27/1029428627.db2.gz NPJIKTOBBQTTQU-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569286 1029428631 /nfs/dbraw/zinc/42/86/31/1029428631.db2.gz NPJIKTOBBQTTQU-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)ccn1 ZINC000529568302 1029428457 /nfs/dbraw/zinc/42/84/57/1029428457.db2.gz WWGVYTYJAVSSFN-WOJBJXKFSA-N 2 2 318.424 3.605 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569286 1029428634 /nfs/dbraw/zinc/42/86/34/1029428634.db2.gz NPJIKTOBBQTTQU-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569286 1029428618 /nfs/dbraw/zinc/42/86/18/1029428618.db2.gz NPJIKTOBBQTTQU-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP c1csc([C@@H]2c3ccsc3CC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000120948591 1029449632 /nfs/dbraw/zinc/44/96/32/1029449632.db2.gz BFSSPUDIAVLPFT-INIZCTEOSA-N 2 2 315.467 3.654 20 0 DHADLP c1csc([C@@H]2c3ccsc3CC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000120948591 1029449639 /nfs/dbraw/zinc/44/96/39/1029449639.db2.gz BFSSPUDIAVLPFT-INIZCTEOSA-N 2 2 315.467 3.654 20 0 DHADLP C(=C/c1ccccc1)\CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000450427438 1029460374 /nfs/dbraw/zinc/46/03/74/1029460374.db2.gz SNMJOKZNBTXSIU-GSXXRBPTSA-N 2 2 307.441 3.919 20 0 DHADLP C(=C/c1ccccc1)\CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000450427438 1029460379 /nfs/dbraw/zinc/46/03/79/1029460379.db2.gz SNMJOKZNBTXSIU-GSXXRBPTSA-N 2 2 307.441 3.919 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C2)c1 ZINC000529668285 1029500270 /nfs/dbraw/zinc/50/02/70/1029500270.db2.gz GBJPAOJFSNZYMO-YVNUBYTISA-N 2 2 320.427 3.817 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C2)c1 ZINC000529668285 1029500280 /nfs/dbraw/zinc/50/02/80/1029500280.db2.gz GBJPAOJFSNZYMO-YVNUBYTISA-N 2 2 320.427 3.817 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C2)c1 ZINC000529668284 1029502088 /nfs/dbraw/zinc/50/20/88/1029502088.db2.gz GBJPAOJFSNZYMO-ITXXBFQVSA-N 2 2 320.427 3.817 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C2)c1 ZINC000529668284 1029502096 /nfs/dbraw/zinc/50/20/96/1029502096.db2.gz GBJPAOJFSNZYMO-ITXXBFQVSA-N 2 2 320.427 3.817 20 0 DHADLP CCCOc1cccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000450642947 1029584764 /nfs/dbraw/zinc/58/47/64/1029584764.db2.gz JJWZYHFUUYCQCX-UHFFFAOYSA-N 2 2 302.462 3.536 20 0 DHADLP CCCOc1cccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000450642947 1029584772 /nfs/dbraw/zinc/58/47/72/1029584772.db2.gz JJWZYHFUUYCQCX-UHFFFAOYSA-N 2 2 302.462 3.536 20 0 DHADLP Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000450632986 1029588253 /nfs/dbraw/zinc/58/82/53/1029588253.db2.gz VCFUUOOWDGCDHG-OAHLLOKOSA-N 2 2 317.864 3.837 20 0 DHADLP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000450632986 1029588260 /nfs/dbraw/zinc/58/82/60/1029588260.db2.gz VCFUUOOWDGCDHG-OAHLLOKOSA-N 2 2 317.864 3.837 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 ZINC000450868832 1029715113 /nfs/dbraw/zinc/71/51/13/1029715113.db2.gz ABIGQELLUNPPOG-ZBFHGGJFSA-N 2 2 309.523 3.640 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)CC(C)C)C1 ZINC000450868832 1029715121 /nfs/dbraw/zinc/71/51/21/1029715121.db2.gz ABIGQELLUNPPOG-ZBFHGGJFSA-N 2 2 309.523 3.640 20 0 DHADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)CC(C)C)C1 ZINC000450868832 1029715127 /nfs/dbraw/zinc/71/51/27/1029715127.db2.gz ABIGQELLUNPPOG-ZBFHGGJFSA-N 2 2 309.523 3.640 20 0 DHADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)CC(C)C)C1 ZINC000450868832 1029715135 /nfs/dbraw/zinc/71/51/35/1029715135.db2.gz ABIGQELLUNPPOG-ZBFHGGJFSA-N 2 2 309.523 3.640 20 0 DHADLP COc1c(C)cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530217385 1029785228 /nfs/dbraw/zinc/78/52/28/1029785228.db2.gz SRPZERGJZDPGFM-SWLSCSKDSA-N 2 2 308.853 3.592 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290295290 1029986074 /nfs/dbraw/zinc/98/60/74/1029986074.db2.gz AUCOKDINAJYZQN-ABAIWWIYSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290295290 1029986091 /nfs/dbraw/zinc/98/60/91/1029986091.db2.gz AUCOKDINAJYZQN-ABAIWWIYSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290295290 1029986100 /nfs/dbraw/zinc/98/61/00/1029986100.db2.gz AUCOKDINAJYZQN-ABAIWWIYSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290295290 1029986116 /nfs/dbraw/zinc/98/61/16/1029986116.db2.gz AUCOKDINAJYZQN-ABAIWWIYSA-N 2 2 318.358 3.617 20 0 DHADLP c1cc(-c2ccccc2)oc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000530961546 1030097460 /nfs/dbraw/zinc/09/74/60/1030097460.db2.gz ZWYUNGCNSJNKCO-UHFFFAOYSA-N 2 2 307.397 3.933 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000924696906 1030162279 /nfs/dbraw/zinc/16/22/79/1030162279.db2.gz QVGOLNCGKXHINU-NJYVYQBISA-N 2 2 321.468 3.696 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000924696906 1030162288 /nfs/dbraw/zinc/16/22/88/1030162288.db2.gz QVGOLNCGKXHINU-NJYVYQBISA-N 2 2 321.468 3.696 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000245866805 1030165099 /nfs/dbraw/zinc/16/50/99/1030165099.db2.gz LLXXVSAKYPLGGK-KDOFPFPSSA-N 2 2 313.420 3.501 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000245866805 1030165103 /nfs/dbraw/zinc/16/51/03/1030165103.db2.gz LLXXVSAKYPLGGK-KDOFPFPSSA-N 2 2 313.420 3.501 20 0 DHADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2cccnc2)c2cc(C)cc(C)c2)C1 ZINC000924704485 1030166755 /nfs/dbraw/zinc/16/67/55/1030166755.db2.gz FPFMSVXQMHGWPW-WIYYLYMNSA-N 2 2 323.484 3.719 20 0 DHADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2cccnc2)c2cc(C)cc(C)c2)C1 ZINC000924704485 1030166761 /nfs/dbraw/zinc/16/67/61/1030166761.db2.gz FPFMSVXQMHGWPW-WIYYLYMNSA-N 2 2 323.484 3.719 20 0 DHADLP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000866238127 1030174225 /nfs/dbraw/zinc/17/42/25/1030174225.db2.gz MHMKGDYGSDFTDT-KDOFPFPSSA-N 2 2 301.409 3.716 20 0 DHADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]CCCCNc2cccc[nH+]2)nc1 ZINC000924928441 1030228942 /nfs/dbraw/zinc/22/89/42/1030228942.db2.gz VZVJCKKPZRUUGO-PKOBYXMFSA-N 2 2 324.472 3.670 20 0 DHADLP Cc1cc(C)cc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2cccnc2)c1 ZINC000925011769 1030246097 /nfs/dbraw/zinc/24/60/97/1030246097.db2.gz RGSLMLLEHRSIBH-RXVVDRJESA-N 2 2 323.484 3.719 20 0 DHADLP Cc1cc(C)cc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2cccnc2)c1 ZINC000925011769 1030246108 /nfs/dbraw/zinc/24/61/08/1030246108.db2.gz RGSLMLLEHRSIBH-RXVVDRJESA-N 2 2 323.484 3.719 20 0 DHADLP Cc1cccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c2ccccn2)c1 ZINC000925224126 1030312142 /nfs/dbraw/zinc/31/21/42/1030312142.db2.gz XVSASSFOQNBOPC-DYXWJJEUSA-N 2 2 323.484 3.942 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Oc1ccccc1 ZINC000358168121 1030354123 /nfs/dbraw/zinc/35/41/23/1030354123.db2.gz BKLVXTYNVHVUAN-SJORKVTESA-N 2 2 321.424 3.990 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866561992 1030372161 /nfs/dbraw/zinc/37/21/61/1030372161.db2.gz NEFXJZGHFOKJJH-RBUKOAKNSA-N 2 2 308.510 3.578 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866561992 1030372174 /nfs/dbraw/zinc/37/21/74/1030372174.db2.gz NEFXJZGHFOKJJH-RBUKOAKNSA-N 2 2 308.510 3.578 20 0 DHADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1C ZINC000291165609 1030374872 /nfs/dbraw/zinc/37/48/72/1030374872.db2.gz DAJCVLSJHDODPZ-PKOBYXMFSA-N 2 2 310.445 3.528 20 0 DHADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1C ZINC000291165609 1030374876 /nfs/dbraw/zinc/37/48/76/1030374876.db2.gz DAJCVLSJHDODPZ-PKOBYXMFSA-N 2 2 310.445 3.528 20 0 DHADLP CC(C)(C)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000866573826 1030383728 /nfs/dbraw/zinc/38/37/28/1030383728.db2.gz ZDUPRTGRBNQKMN-UHFFFAOYSA-N 2 2 313.445 3.731 20 0 DHADLP CC(C)c1csc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925562401 1030404355 /nfs/dbraw/zinc/40/43/55/1030404355.db2.gz WHOMNBXZYRHURS-CABCVRRESA-N 2 2 307.507 3.524 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000925591945 1030414049 /nfs/dbraw/zinc/41/40/49/1030414049.db2.gz UNFBZQWMTJSQDI-PCQDHPLQSA-N 2 2 313.489 3.775 20 0 DHADLP C[C@H]([NH3+])[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1 ZINC000925592674 1030414739 /nfs/dbraw/zinc/41/47/39/1030414739.db2.gz AIFFQJDNKUFHGM-HNAYVOBHSA-N 2 2 310.445 3.572 20 0 DHADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCC1 ZINC000823942978 1030439266 /nfs/dbraw/zinc/43/92/66/1030439266.db2.gz AKKJWMCGSOYUNK-FQEVSTJZSA-N 2 2 315.505 3.890 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Oc2cccnc2)cc1 ZINC000925669494 1030448685 /nfs/dbraw/zinc/44/86/85/1030448685.db2.gz UNKSHTWKFFKTAU-BEFAXECRSA-N 2 2 323.440 3.809 20 0 DHADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000925698499 1030457921 /nfs/dbraw/zinc/45/79/21/1030457921.db2.gz FMLOUKAYYXXWPY-WJMWBRGCSA-N 2 2 324.468 3.634 20 0 DHADLP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925738157 1030471175 /nfs/dbraw/zinc/47/11/75/1030471175.db2.gz WAXTZPNNWYZJCY-RTBURBONSA-N 2 2 308.425 3.807 20 0 DHADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cccc(Cl)c1Cl ZINC000925779088 1030491869 /nfs/dbraw/zinc/49/18/69/1030491869.db2.gz LJQYJUAFNQEUNB-VHSXEESVSA-N 2 2 323.214 3.889 20 0 DHADLP Clc1cscc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925769483 1030487150 /nfs/dbraw/zinc/48/71/50/1030487150.db2.gz DVOHWZSNDJFDGU-GOEBONIOSA-N 2 2 306.862 3.984 20 0 DHADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(-c2ccccc2)o1 ZINC000925785632 1030495894 /nfs/dbraw/zinc/49/58/94/1030495894.db2.gz VCGRQZDMBSSEIW-DZGCQCFKSA-N 2 2 320.383 3.842 20 0 DHADLP Cc1ccoc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000291723999 1030616124 /nfs/dbraw/zinc/61/61/24/1030616124.db2.gz MWQJHKYBDZUQBG-UHFFFAOYSA-N 2 2 316.420 3.524 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246568802 1030636649 /nfs/dbraw/zinc/63/66/49/1030636649.db2.gz BDPIIXOMTBPGKO-KBPBESRZSA-N 2 2 319.399 3.714 20 0 DHADLP CCSc1ccccc1C[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449771 1030744996 /nfs/dbraw/zinc/74/49/96/1030744996.db2.gz HWDOPMZIBSGACK-DZGCQCFKSA-N 2 2 315.486 3.600 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000359064861 1030757128 /nfs/dbraw/zinc/75/71/28/1030757128.db2.gz BYJLAOVWLKRXRX-NVXWUHKLSA-N 2 2 315.505 3.564 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000359064861 1030757139 /nfs/dbraw/zinc/75/71/39/1030757139.db2.gz BYJLAOVWLKRXRX-NVXWUHKLSA-N 2 2 315.505 3.564 20 0 DHADLP c1csc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CCO2)c1 ZINC000926538666 1030788064 /nfs/dbraw/zinc/78/80/64/1030788064.db2.gz SWVPGGDGWAVTQD-VQHPVUNQSA-N 2 2 320.502 3.575 20 0 DHADLP c1csc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CCO2)c1 ZINC000926538666 1030788071 /nfs/dbraw/zinc/78/80/71/1030788071.db2.gz SWVPGGDGWAVTQD-VQHPVUNQSA-N 2 2 320.502 3.575 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C(C)(C)O)cc1 ZINC000926677491 1030853822 /nfs/dbraw/zinc/85/38/22/1030853822.db2.gz YRLSTWJTZPQXQN-IPELMVKDSA-N 2 2 316.489 3.582 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C(C)(C)O)cc1 ZINC000926677491 1030853839 /nfs/dbraw/zinc/85/38/39/1030853839.db2.gz YRLSTWJTZPQXQN-IPELMVKDSA-N 2 2 316.489 3.582 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C(C)(C)O)cc1 ZINC000926677495 1030855259 /nfs/dbraw/zinc/85/52/59/1030855259.db2.gz YRLSTWJTZPQXQN-SNRMKQJTSA-N 2 2 316.489 3.582 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C(C)(C)O)cc1 ZINC000926677495 1030855271 /nfs/dbraw/zinc/85/52/71/1030855271.db2.gz YRLSTWJTZPQXQN-SNRMKQJTSA-N 2 2 316.489 3.582 20 0 DHADLP CC[N@H+](Cc1cc(C)ccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001143677240 1030899121 /nfs/dbraw/zinc/89/91/21/1030899121.db2.gz VZZGEKKMLLETKG-UHFFFAOYSA-N 2 2 314.395 3.930 20 0 DHADLP CC[N@@H+](Cc1cc(C)ccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001143677240 1030899153 /nfs/dbraw/zinc/89/91/53/1030899153.db2.gz VZZGEKKMLLETKG-UHFFFAOYSA-N 2 2 314.395 3.930 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926755708 1030906106 /nfs/dbraw/zinc/90/61/06/1030906106.db2.gz ZOJKNOAFLFUVEM-JKSUJKDBSA-N 2 2 313.445 3.724 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926755708 1030906116 /nfs/dbraw/zinc/90/61/16/1030906116.db2.gz ZOJKNOAFLFUVEM-JKSUJKDBSA-N 2 2 313.445 3.724 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(SC(F)(F)F)cc1 ZINC001246487567 1030910438 /nfs/dbraw/zinc/91/04/38/1030910438.db2.gz GRGIHWZZTXCFOQ-ZYHUDNBSSA-N 2 2 304.381 3.701 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000359593479 1031049394 /nfs/dbraw/zinc/04/93/94/1031049394.db2.gz RYJBNFWGMURCID-SJLPKXTDSA-N 2 2 302.462 3.591 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000359593479 1031049402 /nfs/dbraw/zinc/04/94/02/1031049402.db2.gz RYJBNFWGMURCID-SJLPKXTDSA-N 2 2 302.462 3.591 20 0 DHADLP CCc1cccc(Cl)c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000261822977 1031067128 /nfs/dbraw/zinc/06/71/28/1031067128.db2.gz ILLRTAINVCEPJC-UHFFFAOYSA-N 2 2 306.881 3.866 20 0 DHADLP CC[N@H+](Cc1cccc(C(F)(F)F)c1C)C1CC[NH+](C)CC1 ZINC001143925101 1031092633 /nfs/dbraw/zinc/09/26/33/1031092633.db2.gz ZVCSCCGQHDQJEN-UHFFFAOYSA-N 2 2 314.395 3.930 20 0 DHADLP CC[N@@H+](Cc1cccc(C(F)(F)F)c1C)C1CC[NH+](C)CC1 ZINC001143925101 1031092649 /nfs/dbraw/zinc/09/26/49/1031092649.db2.gz ZVCSCCGQHDQJEN-UHFFFAOYSA-N 2 2 314.395 3.930 20 0 DHADLP C[C@@H](CCC1CCCCC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927111282 1031093510 /nfs/dbraw/zinc/09/35/10/1031093510.db2.gz ZDQRRKCBCXUUEE-QFBILLFUSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@@H](CCC1CCCCC1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927111282 1031093525 /nfs/dbraw/zinc/09/35/25/1031093525.db2.gz ZDQRRKCBCXUUEE-QFBILLFUSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc2ccccc21 ZINC000927110204 1031095343 /nfs/dbraw/zinc/09/53/43/1031095343.db2.gz SWFIDRBNJWPGFT-VQIMIIECSA-N 2 2 324.468 3.744 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)c1cccc2ccccc21 ZINC000927110204 1031095360 /nfs/dbraw/zinc/09/53/60/1031095360.db2.gz SWFIDRBNJWPGFT-VQIMIIECSA-N 2 2 324.468 3.744 20 0 DHADLP CO[C@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000648606617 1031203144 /nfs/dbraw/zinc/20/31/44/1031203144.db2.gz BKIXGOOHLXKQRR-KBPBESRZSA-N 2 2 319.836 3.573 20 0 DHADLP CC[C@H](C[NH2+][C@@H]1CCCOc2ccc(C)cc21)[NH+]1CCCC1 ZINC000360056209 1031259697 /nfs/dbraw/zinc/25/96/97/1031259697.db2.gz RKCLGXSDLRTSLR-SJLPKXTDSA-N 2 2 302.462 3.673 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000872029355 1031415082 /nfs/dbraw/zinc/41/50/82/1031415082.db2.gz WJEKQFZAQPUOFL-WMZOPIPTSA-N 2 2 313.445 3.556 20 0 DHADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCCOC1 ZINC000872039523 1031423301 /nfs/dbraw/zinc/42/33/01/1031423301.db2.gz GKNMNSWHDSADSG-AYBZRNKSSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872061321 1031455960 /nfs/dbraw/zinc/45/59/60/1031455960.db2.gz XGPKYPZMPZIFLS-QLFBSQMISA-N 2 2 320.452 3.835 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000872061321 1031455968 /nfs/dbraw/zinc/45/59/68/1031455968.db2.gz XGPKYPZMPZIFLS-QLFBSQMISA-N 2 2 320.452 3.835 20 0 DHADLP CC1(C)C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2S1 ZINC000872062913 1031457761 /nfs/dbraw/zinc/45/77/61/1031457761.db2.gz LPOXBFXPRQUAOL-ZFWWWQNUSA-N 2 2 313.470 3.803 20 0 DHADLP Cc1cc(C)nc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000929753742 1031597624 /nfs/dbraw/zinc/59/76/24/1031597624.db2.gz FFSCRHOUQREYGO-FQEVSTJZSA-N 2 2 323.484 3.652 20 0 DHADLP Cc1cc(C)nc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000929753742 1031597636 /nfs/dbraw/zinc/59/76/36/1031597636.db2.gz FFSCRHOUQREYGO-FQEVSTJZSA-N 2 2 323.484 3.652 20 0 DHADLP Cc1cc(C)nc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000929753742 1031597645 /nfs/dbraw/zinc/59/76/45/1031597645.db2.gz FFSCRHOUQREYGO-FQEVSTJZSA-N 2 2 323.484 3.652 20 0 DHADLP Cc1cc(C)nc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000929753742 1031597650 /nfs/dbraw/zinc/59/76/50/1031597650.db2.gz FFSCRHOUQREYGO-FQEVSTJZSA-N 2 2 323.484 3.652 20 0 DHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000360874748 1031598651 /nfs/dbraw/zinc/59/86/51/1031598651.db2.gz VBGVGTHERNEBKD-SFHVURJKSA-N 2 2 322.456 3.954 20 0 DHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000360874748 1031598659 /nfs/dbraw/zinc/59/86/59/1031598659.db2.gz VBGVGTHERNEBKD-SFHVURJKSA-N 2 2 322.456 3.954 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCC[C@@H](C)C3)sc2C1 ZINC000361038878 1031691275 /nfs/dbraw/zinc/69/12/75/1031691275.db2.gz SJGTVFSDDNBHOR-CQSZACIVSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCC[C@@H](C)C3)sc2C1 ZINC000361038878 1031691282 /nfs/dbraw/zinc/69/12/82/1031691282.db2.gz SJGTVFSDDNBHOR-CQSZACIVSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCC[C@@H](C)C3)sc2C1 ZINC000361038878 1031691288 /nfs/dbraw/zinc/69/12/88/1031691288.db2.gz SJGTVFSDDNBHOR-CQSZACIVSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCC[C@@H](C)C3)sc2C1 ZINC000361038878 1031691293 /nfs/dbraw/zinc/69/12/93/1031691293.db2.gz SJGTVFSDDNBHOR-CQSZACIVSA-N 2 2 307.507 3.532 20 0 DHADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000846148241 1031883218 /nfs/dbraw/zinc/88/32/18/1031883218.db2.gz PLHYEALDASPIFG-APWZRJJASA-N 2 2 301.478 3.777 20 0 DHADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000846148241 1031883230 /nfs/dbraw/zinc/88/32/30/1031883230.db2.gz PLHYEALDASPIFG-APWZRJJASA-N 2 2 301.478 3.777 20 0 DHADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361486833 1031950802 /nfs/dbraw/zinc/95/08/02/1031950802.db2.gz SJKOIHTYIDAJHR-LJQANCHMSA-N 2 2 307.372 3.789 20 0 DHADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361493550 1031954246 /nfs/dbraw/zinc/95/42/46/1031954246.db2.gz TUYGJIDAZCEVPN-MGPUTAFESA-N 2 2 303.409 3.895 20 0 DHADLP Cc1[nH]c(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000931069676 1032025227 /nfs/dbraw/zinc/02/52/27/1032025227.db2.gz HNKQRVAHFFPTMJ-SJORKVTESA-N 2 2 321.852 3.528 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1cccc(OC)c1 ZINC000361665792 1032044870 /nfs/dbraw/zinc/04/48/70/1032044870.db2.gz ZJSNTKBGEKVYEN-FUHWJXTLSA-N 2 2 313.445 3.818 20 0 DHADLP CC1(C)CC(n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC(C)(C)O1 ZINC001172654846 1033309099 /nfs/dbraw/zinc/30/90/99/1033309099.db2.gz LRHBODLEJIYTEN-UHFFFAOYSA-N 2 2 313.445 3.918 20 0 DHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172844746 1033415555 /nfs/dbraw/zinc/41/55/55/1033415555.db2.gz DQITYTMTIRCCNC-ZFWWWQNUSA-N 2 2 324.871 3.874 20 0 DHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172844746 1033415562 /nfs/dbraw/zinc/41/55/62/1033415562.db2.gz DQITYTMTIRCCNC-ZFWWWQNUSA-N 2 2 324.871 3.874 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001172854664 1033424185 /nfs/dbraw/zinc/42/41/85/1033424185.db2.gz QTLFHTGHVJCROP-CQSZACIVSA-N 2 2 320.839 3.871 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001172854664 1033424191 /nfs/dbraw/zinc/42/41/91/1033424191.db2.gz QTLFHTGHVJCROP-CQSZACIVSA-N 2 2 320.839 3.871 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[NH+]1CCCCCC1 ZINC001172860482 1033429861 /nfs/dbraw/zinc/42/98/61/1033429861.db2.gz DOLFIOOJQKHZBR-AWEZNQCLSA-N 2 2 312.860 3.876 20 0 DHADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC001172870075 1033439410 /nfs/dbraw/zinc/43/94/10/1033439410.db2.gz HZINYVMOTXHZPF-ZDUSSCGKSA-N 2 2 309.866 3.697 20 0 DHADLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc(C)c1OC(F)F ZINC000126854081 1033559298 /nfs/dbraw/zinc/55/92/98/1033559298.db2.gz FENNHGAXZITQOD-LBPRGKRZSA-N 2 2 323.387 3.527 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)c(C)c2c1 ZINC000153634218 1033584780 /nfs/dbraw/zinc/58/47/80/1033584780.db2.gz USTPBUBDAZHBRQ-VHDGCEQUSA-N 2 2 316.445 3.883 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c(C)c2c1 ZINC000153634218 1033584795 /nfs/dbraw/zinc/58/47/95/1033584795.db2.gz USTPBUBDAZHBRQ-VHDGCEQUSA-N 2 2 316.445 3.883 20 0 DHADLP CC[N@H+](C1CCC(Oc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001173203066 1033593578 /nfs/dbraw/zinc/59/35/78/1033593578.db2.gz BRIWJHCLAYQFFL-UHFFFAOYSA-N 2 2 316.489 3.793 20 0 DHADLP CC[N@@H+](C1CCC(Oc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001173203066 1033593586 /nfs/dbraw/zinc/59/35/86/1033593586.db2.gz BRIWJHCLAYQFFL-UHFFFAOYSA-N 2 2 316.489 3.793 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc3ccc(Cl)cc3n2)CC1 ZINC000878164654 1033604191 /nfs/dbraw/zinc/60/41/91/1033604191.db2.gz MERFFQIEAFKGLX-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc3ccc(Cl)cc3n2)CC1 ZINC000878164654 1033604193 /nfs/dbraw/zinc/60/41/93/1033604193.db2.gz MERFFQIEAFKGLX-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP Cc1[nH+]cn(C2CCC3(CCc4ccccc43)CC2)c1CC[NH3+] ZINC001173687825 1033829218 /nfs/dbraw/zinc/82/92/18/1033829218.db2.gz ULEVMJNHSUHOLE-UHFFFAOYSA-N 2 2 309.457 3.692 20 0 DHADLP Cc1[nH+]cc2n1CC[N@H+](C1CCC3(CCc4ccccc43)CC1)C2 ZINC001173687382 1033829850 /nfs/dbraw/zinc/82/98/50/1033829850.db2.gz GYJLZRMSYPQVFH-UHFFFAOYSA-N 2 2 321.468 3.834 20 0 DHADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC3(CCc4ccccc43)CC1)C2 ZINC001173687382 1033829867 /nfs/dbraw/zinc/82/98/67/1033829867.db2.gz GYJLZRMSYPQVFH-UHFFFAOYSA-N 2 2 321.468 3.834 20 0 DHADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206212972 1033835557 /nfs/dbraw/zinc/83/55/57/1033835557.db2.gz UBYBGPSFHOHAOG-UONOGXRCSA-N 2 2 305.224 3.563 20 0 DHADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206212972 1033835569 /nfs/dbraw/zinc/83/55/69/1033835569.db2.gz UBYBGPSFHOHAOG-UONOGXRCSA-N 2 2 305.224 3.563 20 0 DHADLP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H](C)c1cccc(O)c1 ZINC000667532705 1033855299 /nfs/dbraw/zinc/85/52/99/1033855299.db2.gz WDQGZOKDOQGRJC-HNNXBMFYSA-N 2 2 322.412 3.556 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924727399 1033891459 /nfs/dbraw/zinc/89/14/59/1033891459.db2.gz ADEIOHNSQKTBHT-HUUCEWRRSA-N 2 2 318.852 3.623 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCCC2)CC[N@@H+]1C ZINC000174517914 1033938922 /nfs/dbraw/zinc/93/89/22/1033938922.db2.gz YBDVKXAEYTWXKJ-NVXWUHKLSA-N 2 2 302.462 3.580 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCCC2)CC[N@H+]1C ZINC000174517914 1033938936 /nfs/dbraw/zinc/93/89/36/1033938936.db2.gz YBDVKXAEYTWXKJ-NVXWUHKLSA-N 2 2 302.462 3.580 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000480089565 1034055785 /nfs/dbraw/zinc/05/57/85/1034055785.db2.gz SYEYPROVFGQYFC-TZMCWYRMSA-N 2 2 316.367 3.720 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000480089565 1034055798 /nfs/dbraw/zinc/05/57/98/1034055798.db2.gz SYEYPROVFGQYFC-TZMCWYRMSA-N 2 2 316.367 3.720 20 0 DHADLP CC(C)c1cc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)[nH]n1 ZINC000879920024 1034161101 /nfs/dbraw/zinc/16/11/01/1034161101.db2.gz VKNPEVIHGGZAMY-QGZVFWFLSA-N 2 2 318.509 3.589 20 0 DHADLP CC(C)c1cc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)[nH]n1 ZINC000879920024 1034161110 /nfs/dbraw/zinc/16/11/10/1034161110.db2.gz VKNPEVIHGGZAMY-QGZVFWFLSA-N 2 2 318.509 3.589 20 0 DHADLP CC(C)c1cc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000879920024 1034161119 /nfs/dbraw/zinc/16/11/19/1034161119.db2.gz VKNPEVIHGGZAMY-QGZVFWFLSA-N 2 2 318.509 3.589 20 0 DHADLP CC(C)c1cc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000879920024 1034161125 /nfs/dbraw/zinc/16/11/25/1034161125.db2.gz VKNPEVIHGGZAMY-QGZVFWFLSA-N 2 2 318.509 3.589 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000480292709 1034183991 /nfs/dbraw/zinc/18/39/91/1034183991.db2.gz VNAYFYWXXCJRCG-CYBMUJFWSA-N 2 2 300.899 3.859 20 0 DHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccsc2Cl)C1 ZINC000480292709 1034184003 /nfs/dbraw/zinc/18/40/03/1034184003.db2.gz VNAYFYWXXCJRCG-CYBMUJFWSA-N 2 2 300.899 3.859 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2c(c1)CCO2 ZINC000178551684 1034245509 /nfs/dbraw/zinc/24/55/09/1034245509.db2.gz HANTTYYPUOVEMY-HNNXBMFYSA-N 2 2 311.429 3.559 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)CCO2 ZINC000178586878 1034250102 /nfs/dbraw/zinc/25/01/02/1034250102.db2.gz PWRLFEIXHOMIIS-HNNXBMFYSA-N 2 2 319.408 3.658 20 0 DHADLP COc1cc(NC2=CCC[N@H+](Cc3ccccc3)C2)[nH+]cc1C ZINC001174397095 1034326659 /nfs/dbraw/zinc/32/66/59/1034326659.db2.gz NLMRKEBVGSQDSH-UHFFFAOYSA-N 2 2 309.413 3.600 20 0 DHADLP COc1cc(NC2=CCC[N@@H+](Cc3ccccc3)C2)[nH+]cc1C ZINC001174397095 1034326675 /nfs/dbraw/zinc/32/66/75/1034326675.db2.gz NLMRKEBVGSQDSH-UHFFFAOYSA-N 2 2 309.413 3.600 20 0 DHADLP c1cn(C[C@H]([NH2+]CCCc2ccsc2)c2ccccc2)c[nH+]1 ZINC000880570200 1034362975 /nfs/dbraw/zinc/36/29/75/1034362975.db2.gz UOKSKCAOWNRZAZ-SFHVURJKSA-N 2 2 311.454 3.908 20 0 DHADLP ClC1(Cl)C[C@@H]1CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569000 1034363249 /nfs/dbraw/zinc/36/32/49/1034363249.db2.gz GJAMCNVCNVTTSA-GJZGRUSLSA-N 2 2 324.255 3.798 20 0 DHADLP COc1ccc(C)cc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569203 1034363894 /nfs/dbraw/zinc/36/38/94/1034363894.db2.gz JQQJJNGOTPBSEI-LJQANCHMSA-N 2 2 321.424 3.731 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCCc3c(Cl)cccc32)CCSC1 ZINC000554892847 1034395841 /nfs/dbraw/zinc/39/58/41/1034395841.db2.gz TVOKLEDUTJJJFG-IRXDYDNUSA-N 2 2 324.921 3.744 20 0 DHADLP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1Cl ZINC000629523252 1034470180 /nfs/dbraw/zinc/47/01/80/1034470180.db2.gz CKBGPWPPEXSRCV-CQSZACIVSA-N 2 2 317.260 3.542 20 0 DHADLP CC(C)(C)c1csc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000865425335 1034640663 /nfs/dbraw/zinc/64/06/63/1034640663.db2.gz KILWIZYXXDPNJK-CYBMUJFWSA-N 2 2 320.506 3.842 20 0 DHADLP Fc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000555415079 1034687953 /nfs/dbraw/zinc/68/79/53/1034687953.db2.gz BJCLHADAJTZAPO-GUYCJALGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1Cl ZINC000555415079 1034687961 /nfs/dbraw/zinc/68/79/61/1034687961.db2.gz BJCLHADAJTZAPO-GUYCJALGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1Cl ZINC000555415079 1034687965 /nfs/dbraw/zinc/68/79/65/1034687965.db2.gz BJCLHADAJTZAPO-GUYCJALGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Cl ZINC000555415079 1034687970 /nfs/dbraw/zinc/68/79/70/1034687970.db2.gz BJCLHADAJTZAPO-GUYCJALGSA-N 2 2 322.855 3.928 20 0 DHADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000187132205 1034693029 /nfs/dbraw/zinc/69/30/29/1034693029.db2.gz INNNZJOJXVAQFB-XLIONFOSSA-N 2 2 313.489 3.628 20 0 DHADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000555418164 1034695853 /nfs/dbraw/zinc/69/58/53/1034695853.db2.gz ANEFXHCXYTZSJP-UHFFFAOYSA-N 2 2 324.472 3.985 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481912863 1035032031 /nfs/dbraw/zinc/03/20/31/1035032031.db2.gz ZLKANCLQPAHEKJ-ZFWWWQNUSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481912863 1035032036 /nfs/dbraw/zinc/03/20/36/1035032036.db2.gz ZLKANCLQPAHEKJ-ZFWWWQNUSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000481955571 1035038429 /nfs/dbraw/zinc/03/84/29/1035038429.db2.gz HHWLVKYHZUVXLU-QWRGUYRKSA-N 2 2 320.811 3.932 20 0 DHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000482133341 1035059209 /nfs/dbraw/zinc/05/92/09/1035059209.db2.gz JPWBCUMFACTPPP-HZPDHXFCSA-N 2 2 315.461 3.818 20 0 DHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000482241158 1035071979 /nfs/dbraw/zinc/07/19/79/1035071979.db2.gz HYVIYVKQZQQHHY-APWZRJJASA-N 2 2 304.478 3.571 20 0 DHADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000482241158 1035071988 /nfs/dbraw/zinc/07/19/88/1035071988.db2.gz HYVIYVKQZQQHHY-APWZRJJASA-N 2 2 304.478 3.571 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000482313568 1035083352 /nfs/dbraw/zinc/08/33/52/1035083352.db2.gz VFDGKKZAYGBZQG-IJEWVQPXSA-N 2 2 314.395 3.685 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000482313568 1035083360 /nfs/dbraw/zinc/08/33/60/1035083360.db2.gz VFDGKKZAYGBZQG-IJEWVQPXSA-N 2 2 314.395 3.685 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)CCN1c1cc[nH+]cc1 ZINC001175769754 1035114741 /nfs/dbraw/zinc/11/47/41/1035114741.db2.gz SYHVSQFTPAJLKL-CYBMUJFWSA-N 2 2 319.811 3.585 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CCN1c1cc[nH+]cc1 ZINC001175769754 1035114746 /nfs/dbraw/zinc/11/47/46/1035114746.db2.gz SYHVSQFTPAJLKL-CYBMUJFWSA-N 2 2 319.811 3.585 20 0 DHADLP COc1cccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000158980466 1035115295 /nfs/dbraw/zinc/11/52/95/1035115295.db2.gz VIEXSWACWFOKAQ-MRXNPFEDSA-N 2 2 321.424 3.774 20 0 DHADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCSc1ccccc1Cl ZINC001175883023 1035137810 /nfs/dbraw/zinc/13/78/10/1035137810.db2.gz OHBCYHSHWIDYIG-JKSUJKDBSA-N 2 2 324.921 3.991 20 0 DHADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCSc1ccccc1Cl ZINC001175883023 1035137813 /nfs/dbraw/zinc/13/78/13/1035137813.db2.gz OHBCYHSHWIDYIG-JKSUJKDBSA-N 2 2 324.921 3.991 20 0 DHADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCSc1ccccc1Cl ZINC001175883023 1035137817 /nfs/dbraw/zinc/13/78/17/1035137817.db2.gz OHBCYHSHWIDYIG-JKSUJKDBSA-N 2 2 324.921 3.991 20 0 DHADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCSc1ccccc1Cl ZINC001175883023 1035137818 /nfs/dbraw/zinc/13/78/18/1035137818.db2.gz OHBCYHSHWIDYIG-JKSUJKDBSA-N 2 2 324.921 3.991 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000482619864 1035147484 /nfs/dbraw/zinc/14/74/84/1035147484.db2.gz RPGRZRFTGBWHCC-ZWKOTPCHSA-N 2 2 310.526 3.680 20 0 DHADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000482620323 1035147828 /nfs/dbraw/zinc/14/78/28/1035147828.db2.gz ORIZIJQLCSDSMI-VVFCZOMOSA-N 2 2 302.437 3.666 20 0 DHADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000482620323 1035147833 /nfs/dbraw/zinc/14/78/33/1035147833.db2.gz ORIZIJQLCSDSMI-VVFCZOMOSA-N 2 2 302.437 3.666 20 0 DHADLP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1cccs1 ZINC000668174040 1035205683 /nfs/dbraw/zinc/20/56/83/1035205683.db2.gz BRCMPHNSEXECOZ-KRWDZBQOSA-N 2 2 324.453 3.912 20 0 DHADLP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1cccs1 ZINC000668174040 1035205686 /nfs/dbraw/zinc/20/56/86/1035205686.db2.gz BRCMPHNSEXECOZ-KRWDZBQOSA-N 2 2 324.453 3.912 20 0 DHADLP CC(C)COc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483470571 1035271581 /nfs/dbraw/zinc/27/15/81/1035271581.db2.gz HDNJSYGFYYOOCD-PKOBYXMFSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)COc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483470571 1035271588 /nfs/dbraw/zinc/27/15/88/1035271588.db2.gz HDNJSYGFYYOOCD-PKOBYXMFSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483470571 1035271593 /nfs/dbraw/zinc/27/15/93/1035271593.db2.gz HDNJSYGFYYOOCD-PKOBYXMFSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483470571 1035271600 /nfs/dbraw/zinc/27/16/00/1035271600.db2.gz HDNJSYGFYYOOCD-PKOBYXMFSA-N 2 2 316.489 3.638 20 0 DHADLP Cc1cc(Nc2ccc[nH+]c2N2CCCC2)c2ccccc2[nH+]1 ZINC001176743226 1035322151 /nfs/dbraw/zinc/32/21/51/1035322151.db2.gz GSJIGMQOWILGBI-UHFFFAOYSA-N 2 2 304.397 3.704 20 0 DHADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000484473907 1035344815 /nfs/dbraw/zinc/34/48/15/1035344815.db2.gz JBPDVEJLAQLWNS-TWOQFEAHSA-N 2 2 309.457 3.739 20 0 DHADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000484473907 1035344818 /nfs/dbraw/zinc/34/48/18/1035344818.db2.gz JBPDVEJLAQLWNS-TWOQFEAHSA-N 2 2 309.457 3.739 20 0 DHADLP CCC[NH+](CCC)CCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001177056774 1035346874 /nfs/dbraw/zinc/34/68/74/1035346874.db2.gz FOJLCQLRLBWFDA-UHFFFAOYSA-N 2 2 322.884 3.589 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001177548481 1035380467 /nfs/dbraw/zinc/38/04/67/1035380467.db2.gz GLMGOGGOMQLQCY-QZTJIDSGSA-N 2 2 318.505 3.726 20 0 DHADLP Cc1cnc([C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC001177954238 1035402822 /nfs/dbraw/zinc/40/28/22/1035402822.db2.gz CZWBHDCAYYFETN-LLVKDONJSA-N 2 2 304.444 3.550 20 0 DHADLP CC1(C)C[C@H]([NH2+]CC[C@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC001179365644 1035475948 /nfs/dbraw/zinc/47/59/48/1035475948.db2.gz LDHOHBHGBIECSC-ROUUACIJSA-N 2 2 318.530 3.772 20 0 DHADLP CC1(C)C[C@H]([NH2+]CC[C@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC001179365644 1035475950 /nfs/dbraw/zinc/47/59/50/1035475950.db2.gz LDHOHBHGBIECSC-ROUUACIJSA-N 2 2 318.530 3.772 20 0 DHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000494607655 1035718360 /nfs/dbraw/zinc/71/83/60/1035718360.db2.gz GCCVZSKFSALMDP-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2cncc([C@@H]3CCC[NH2+]3)c2)c1 ZINC000906170426 1035798720 /nfs/dbraw/zinc/79/87/20/1035798720.db2.gz FSHXQOOFBCTWTP-IBGZPJMESA-N 2 2 322.387 3.557 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C12CCCCC2 ZINC001181436645 1035924303 /nfs/dbraw/zinc/92/43/03/1035924303.db2.gz XJXUZMQMDACFHD-KZNAEPCWSA-N 2 2 322.537 3.824 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C12CCCCC2 ZINC001181436645 1035924319 /nfs/dbraw/zinc/92/43/19/1035924319.db2.gz XJXUZMQMDACFHD-KZNAEPCWSA-N 2 2 322.537 3.824 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccsc1C(F)(F)F ZINC001181515712 1035938731 /nfs/dbraw/zinc/93/87/31/1035938731.db2.gz WSNUQUXPCIJRDR-UHFFFAOYSA-N 2 2 308.413 3.931 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccsc1C(F)(F)F ZINC001181515712 1035938748 /nfs/dbraw/zinc/93/87/48/1035938748.db2.gz WSNUQUXPCIJRDR-UHFFFAOYSA-N 2 2 308.413 3.931 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC001181818975 1036005716 /nfs/dbraw/zinc/00/57/16/1036005716.db2.gz RGMGGBAQHLLQLQ-VBNZEHGJSA-N 2 2 314.395 3.881 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccco3)s2)C[C@@H]1C ZINC000494949916 1036149031 /nfs/dbraw/zinc/14/90/31/1036149031.db2.gz DXVMEUJXBKTKAQ-UONOGXRCSA-N 2 2 319.474 3.708 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccco3)s2)C[C@@H]1C ZINC000494949916 1036149038 /nfs/dbraw/zinc/14/90/38/1036149038.db2.gz DXVMEUJXBKTKAQ-UONOGXRCSA-N 2 2 319.474 3.708 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)C[C@@H]1C ZINC000494949916 1036149045 /nfs/dbraw/zinc/14/90/45/1036149045.db2.gz DXVMEUJXBKTKAQ-UONOGXRCSA-N 2 2 319.474 3.708 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)C[C@@H]1C ZINC000494949916 1036149050 /nfs/dbraw/zinc/14/90/50/1036149050.db2.gz DXVMEUJXBKTKAQ-UONOGXRCSA-N 2 2 319.474 3.708 20 0 DHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCC3(C)C)[nH+]c2)CC1 ZINC000540787533 1036153612 /nfs/dbraw/zinc/15/36/12/1036153612.db2.gz QITBITFWXOYMOR-QGZVFWFLSA-N 2 2 316.493 3.603 20 0 DHADLP C[C@@H](Cc1cccc(F)c1)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001168475448 1036185923 /nfs/dbraw/zinc/18/59/23/1036185923.db2.gz YEVZWMSMRYOUMT-AWEZNQCLSA-N 2 2 309.388 3.952 20 0 DHADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001182633493 1036404638 /nfs/dbraw/zinc/40/46/38/1036404638.db2.gz BGZXCGDINGCLKC-AYOQOUSVSA-N 2 2 312.457 3.970 20 0 DHADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001182633493 1036404647 /nfs/dbraw/zinc/40/46/47/1036404647.db2.gz BGZXCGDINGCLKC-AYOQOUSVSA-N 2 2 312.457 3.970 20 0 DHADLP Fc1ccc(CCC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1F ZINC001183237809 1036545695 /nfs/dbraw/zinc/54/56/95/1036545695.db2.gz CYEFNRASWQLSCE-INIZCTEOSA-N 2 2 308.416 3.504 20 0 DHADLP Fc1ccc(CCC[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1F ZINC001183237809 1036545703 /nfs/dbraw/zinc/54/57/03/1036545703.db2.gz CYEFNRASWQLSCE-INIZCTEOSA-N 2 2 308.416 3.504 20 0 DHADLP C[NH+]1C[C@]2(C)C[NH+](CCCc3ccccc3Cl)C[C@@]2(C)C1 ZINC001196632043 1036582320 /nfs/dbraw/zinc/58/23/20/1036582320.db2.gz LMTYUCXSVUWBEV-QZTJIDSGSA-N 2 2 306.881 3.546 20 0 DHADLP c1cn(C[C@H]([NH2+]C[C@@H]2CCc3ccccc32)c2ccccc2)c[nH+]1 ZINC001183499300 1036608847 /nfs/dbraw/zinc/60/88/47/1036608847.db2.gz LJEFSRMBLQRJRB-FPOVZHCZSA-N 2 2 317.436 3.944 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)CCN1c1cc[nH+]cc1 ZINC001197377035 1036768500 /nfs/dbraw/zinc/76/85/00/1036768500.db2.gz JDUJPJVGMVSROY-CYBMUJFWSA-N 2 2 319.811 3.585 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CCN1c1cc[nH+]cc1 ZINC001197377035 1036768512 /nfs/dbraw/zinc/76/85/12/1036768512.db2.gz JDUJPJVGMVSROY-CYBMUJFWSA-N 2 2 319.811 3.585 20 0 DHADLP Cc1cc(F)ccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000487952607 1036786676 /nfs/dbraw/zinc/78/66/76/1036786676.db2.gz IXTWUZBHIUNESH-UHFFFAOYSA-N 2 2 309.388 3.952 20 0 DHADLP Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000487952607 1036786696 /nfs/dbraw/zinc/78/66/96/1036786696.db2.gz IXTWUZBHIUNESH-UHFFFAOYSA-N 2 2 309.388 3.952 20 0 DHADLP CCOc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c(C)c1 ZINC001184364002 1036811218 /nfs/dbraw/zinc/81/12/18/1036811218.db2.gz JRQHDNBKQOBUPJ-UHFFFAOYSA-N 2 2 313.445 3.507 20 0 DHADLP S=c1ccn(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc12 ZINC000152098598 1036870865 /nfs/dbraw/zinc/87/08/65/1036870865.db2.gz NOGOLXVEYRVBJU-UHFFFAOYSA-N 2 2 324.453 3.862 20 0 DHADLP Cc1nc(NCCCC[N@H+]2CCCC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001184874783 1036969398 /nfs/dbraw/zinc/96/93/98/1036969398.db2.gz TVFPRTLBSGVWRT-HNNXBMFYSA-N 2 2 316.493 3.730 20 0 DHADLP Cc1nc(NCCCC[N@@H+]2CCCC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC001184874783 1036969408 /nfs/dbraw/zinc/96/94/08/1036969408.db2.gz TVFPRTLBSGVWRT-HNNXBMFYSA-N 2 2 316.493 3.730 20 0 DHADLP c1ccc(C2CC([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000236747375 1036976073 /nfs/dbraw/zinc/97/60/73/1036976073.db2.gz AEOREQBIUQGJQV-UHFFFAOYSA-N 2 2 307.441 3.586 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CS1 ZINC000488446637 1037030392 /nfs/dbraw/zinc/03/03/92/1037030392.db2.gz UPQLBSUBIAREFJ-MSOLQXFVSA-N 2 2 315.486 3.551 20 0 DHADLP Cn1c2ccccc2[nH+]c1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310395410 1037231801 /nfs/dbraw/zinc/23/18/01/1037231801.db2.gz SLRDTBZTXGNHRD-QGZVFWFLSA-N 2 2 320.440 3.507 20 0 DHADLP Cn1c2ccccc2[nH+]c1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310395410 1037231820 /nfs/dbraw/zinc/23/18/20/1037231820.db2.gz SLRDTBZTXGNHRD-QGZVFWFLSA-N 2 2 320.440 3.507 20 0 DHADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@]2([NH+](C)C)CCSC2)c(C)c1 ZINC001200871988 1037453049 /nfs/dbraw/zinc/45/30/49/1037453049.db2.gz HAMRKWAUMFAKRH-LIXSYLKWSA-N 2 2 318.530 3.652 20 0 DHADLP COc1cc(C[NH2+]CCCNc2cccc[nH+]2)cc2ccccc21 ZINC001200901930 1037472986 /nfs/dbraw/zinc/47/29/86/1037472986.db2.gz NWEXQBMWXZZZQU-UHFFFAOYSA-N 2 2 321.424 3.835 20 0 DHADLP C[C@]1(C[NH2+]Cc2cccc(O)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000397931974 1037557750 /nfs/dbraw/zinc/55/77/50/1037557750.db2.gz VGKONOUXBJQVKY-HXUWFJFHSA-N 2 2 310.441 3.537 20 0 DHADLP C[C@]1(C[NH2+]Cc2cccc(O)c2)CCC[N@H+]1Cc1ccccc1 ZINC000397931974 1037557759 /nfs/dbraw/zinc/55/77/59/1037557759.db2.gz VGKONOUXBJQVKY-HXUWFJFHSA-N 2 2 310.441 3.537 20 0 DHADLP CCc1cc(NCCC2CC[NH+](C(C)C)CC2)nc(CC)[nH+]1 ZINC001187198860 1037592412 /nfs/dbraw/zinc/59/24/12/1037592412.db2.gz LCSNHYXKUPTUQP-UHFFFAOYSA-N 2 2 304.482 3.524 20 0 DHADLP CCc1cc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)nc(C)[nH+]1 ZINC001187361740 1037621220 /nfs/dbraw/zinc/62/12/20/1037621220.db2.gz ORZPXOZVFHIPFM-QGZVFWFLSA-N 2 2 302.466 3.556 20 0 DHADLP CCc1cc(NC[C@H]2CC[N@H+]2C2CCCCCC2)nc(C)[nH+]1 ZINC001187361740 1037621228 /nfs/dbraw/zinc/62/12/28/1037621228.db2.gz ORZPXOZVFHIPFM-QGZVFWFLSA-N 2 2 302.466 3.556 20 0 DHADLP C[NH+](C)Cc1cccc(Nc2ccc[nH+]c2N2CCCCC2)c1 ZINC001201390330 1037649981 /nfs/dbraw/zinc/64/99/81/1037649981.db2.gz WIWSFEQLWNQHTA-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP Cc1cncc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000184272825 1037725337 /nfs/dbraw/zinc/72/53/37/1037725337.db2.gz UNPBVKKCTXNMFL-KRWDZBQOSA-N 2 2 320.440 3.528 20 0 DHADLP Cc1ccc(CC[C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000156214448 1037905309 /nfs/dbraw/zinc/90/53/09/1037905309.db2.gz HHJQEEACSMEITO-SFHVURJKSA-N 2 2 323.484 3.970 20 0 DHADLP C[C@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCSCC1 ZINC000186961391 1037939607 /nfs/dbraw/zinc/93/96/07/1037939607.db2.gz GNJFPBQKDXUNAH-LPHOPBHVSA-N 2 2 318.530 3.945 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000163791496 1038006438 /nfs/dbraw/zinc/00/64/38/1038006438.db2.gz UCYVSMAGMNGCAS-HNNXBMFYSA-N 2 2 309.816 3.880 20 0 DHADLP Fc1cc(Cl)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000189193765 1038088544 /nfs/dbraw/zinc/08/85/44/1038088544.db2.gz YAIHCGNUAMWGSV-UHFFFAOYSA-N 2 2 315.779 3.955 20 0 DHADLP CCCCCOc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494391831 1038093697 /nfs/dbraw/zinc/09/36/97/1038093697.db2.gz LWHKJFFMZSSXBS-KRWDZBQOSA-N 2 2 313.445 3.557 20 0 DHADLP CCC1CCC(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000127412068 1038179748 /nfs/dbraw/zinc/17/97/48/1038179748.db2.gz ANIQBGMBYWNYSX-UHFFFAOYSA-N 2 2 301.478 3.856 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000572452812 1038381256 /nfs/dbraw/zinc/38/12/56/1038381256.db2.gz GEYBBPQCEHBYOL-KYHPRHEASA-N 2 2 304.478 3.661 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000076902569 1040143513 /nfs/dbraw/zinc/14/35/13/1040143513.db2.gz AAHAYBDIGCBZJY-IBGZPJMESA-N 2 2 306.413 3.754 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000608061180 1040359721 /nfs/dbraw/zinc/35/97/21/1040359721.db2.gz FHOWBBLTWCNALV-KBPBESRZSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[N@H+]1C ZINC000608061180 1040359737 /nfs/dbraw/zinc/35/97/37/1040359737.db2.gz FHOWBBLTWCNALV-KBPBESRZSA-N 2 2 302.393 3.658 20 0 DHADLP Cc1cccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608071857 1040364553 /nfs/dbraw/zinc/36/45/53/1040364553.db2.gz KLCTWGCRSMOEST-LJQANCHMSA-N 2 2 305.425 3.802 20 0 DHADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000608495690 1040524076 /nfs/dbraw/zinc/52/40/76/1040524076.db2.gz XXNRIZPWVVRMRK-INIZCTEOSA-N 2 2 322.412 3.684 20 0 DHADLP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000608495690 1040524097 /nfs/dbraw/zinc/52/40/97/1040524097.db2.gz XXNRIZPWVVRMRK-INIZCTEOSA-N 2 2 322.412 3.684 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2coc(-c3ccccc3)n2)CC1 ZINC000072630372 191205276 /nfs/dbraw/zinc/20/52/76/191205276.db2.gz XRJJYIJPTDAFBH-UHFFFAOYSA-N 2 2 313.445 3.648 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2coc(-c3ccccc3)n2)CC1 ZINC000072630372 191205279 /nfs/dbraw/zinc/20/52/79/191205279.db2.gz XRJJYIJPTDAFBH-UHFFFAOYSA-N 2 2 313.445 3.648 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1nc2ccccc2n1C ZINC000091318784 193038322 /nfs/dbraw/zinc/03/83/22/193038322.db2.gz SQIMQKVRLVTDIC-OAHLLOKOSA-N 2 2 323.444 3.511 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCSC)CC1 ZINC000093300276 193226453 /nfs/dbraw/zinc/22/64/53/193226453.db2.gz YDMOEICBVIRKPC-UHFFFAOYSA-N 2 2 303.475 3.599 20 0 DHADLP CC[N@@H+](Cc1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564635 193270010 /nfs/dbraw/zinc/27/00/10/193270010.db2.gz ZFHLNTRTZIFXAB-UHFFFAOYSA-N 2 2 315.486 3.882 20 0 DHADLP CC[N@H+](Cc1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564635 193270011 /nfs/dbraw/zinc/27/00/11/193270011.db2.gz ZFHLNTRTZIFXAB-UHFFFAOYSA-N 2 2 315.486 3.882 20 0 DHADLP C[C@@H](C[NH2+]Cc1cccc(OC2CCCC2)c1)Cn1cc[nH+]c1 ZINC000062254342 335031952 /nfs/dbraw/zinc/03/19/52/335031952.db2.gz VEBFALJYTUYKAJ-INIZCTEOSA-N 2 2 313.445 3.630 20 0 DHADLP Cc1ccccc1C1CC([N@H+](CCCn2cc[nH+]c2)C2CC2)C1 ZINC000343313270 335062622 /nfs/dbraw/zinc/06/26/22/335062622.db2.gz GVNWZVBJNJOKMU-UHFFFAOYSA-N 2 2 309.457 3.992 20 0 DHADLP Cc1ccccc1C1CC([N@@H+](CCCn2cc[nH+]c2)C2CC2)C1 ZINC000343313270 335062623 /nfs/dbraw/zinc/06/26/23/335062623.db2.gz GVNWZVBJNJOKMU-UHFFFAOYSA-N 2 2 309.457 3.992 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000272657636 130049330 /nfs/dbraw/zinc/04/93/30/130049330.db2.gz GPZILFYOSBBXKZ-MRXNPFEDSA-N 2 2 312.379 3.680 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272643601 130049889 /nfs/dbraw/zinc/04/98/89/130049889.db2.gz DZNZITMBNODFOS-UHFFFAOYSA-N 2 2 300.368 3.501 20 0 DHADLP Cc1cnc([C@@H](C)[NH2+]CCC[NH2+][C@H](C)c2ncc(C)s2)s1 ZINC000273249551 130100195 /nfs/dbraw/zinc/10/01/95/130100195.db2.gz BYIGHJBUYLJVHC-CHWSQXEVSA-N 2 2 324.519 3.608 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)cn1 ZINC000274960188 130277461 /nfs/dbraw/zinc/27/74/61/130277461.db2.gz WOMLGTFRGRZMQZ-ZDUSSCGKSA-N 2 2 304.825 3.673 20 0 DHADLP c1cc2cc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)ccc2o1 ZINC000285443172 131168319 /nfs/dbraw/zinc/16/83/19/131168319.db2.gz LOLYRLZFDJIVIF-UHFFFAOYSA-N 2 2 321.424 3.582 20 0 DHADLP Clc1cccc2c(N3CCC(n4cc[nH+]c4)CC3)cc[nH+]c12 ZINC000286201175 131224267 /nfs/dbraw/zinc/22/42/67/131224267.db2.gz KHYXXYKMYOUVHQ-UHFFFAOYSA-N 2 2 312.804 3.926 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+]C1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000287262231 131271722 /nfs/dbraw/zinc/27/17/22/131271722.db2.gz CDDBNBAUOQDTOS-DAWZGUTISA-N 2 2 324.896 3.616 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+]C1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000287262231 131271723 /nfs/dbraw/zinc/27/17/23/131271723.db2.gz CDDBNBAUOQDTOS-DAWZGUTISA-N 2 2 324.896 3.616 20 0 DHADLP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000289175436 131363910 /nfs/dbraw/zinc/36/39/10/131363910.db2.gz HXCWMWAIQPTYTE-IRXDYDNUSA-N 2 2 303.494 3.850 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000289208137 131366073 /nfs/dbraw/zinc/36/60/73/131366073.db2.gz IHGKNRRAIZXORK-ZWKOTPCHSA-N 2 2 314.429 3.504 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000289208137 131366076 /nfs/dbraw/zinc/36/60/76/131366076.db2.gz IHGKNRRAIZXORK-ZWKOTPCHSA-N 2 2 314.429 3.504 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000289285653 131371073 /nfs/dbraw/zinc/37/10/73/131371073.db2.gz PCULKOGUEOWSIC-UHFFFAOYSA-N 2 2 306.356 3.714 20 0 DHADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCc1c[nH+]cn1C ZINC000297306547 132008436 /nfs/dbraw/zinc/00/84/36/132008436.db2.gz BODGAYWFSOPJAM-GFCCVEGCSA-N 2 2 311.351 3.674 20 0 DHADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297306547 132008438 /nfs/dbraw/zinc/00/84/38/132008438.db2.gz BODGAYWFSOPJAM-GFCCVEGCSA-N 2 2 311.351 3.674 20 0 DHADLP Cc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccn2)cc1 ZINC000297559893 132022416 /nfs/dbraw/zinc/02/24/16/132022416.db2.gz BBGOAMMWGWNRJU-NRFANRHFSA-N 2 2 321.468 3.696 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000297583871 132024422 /nfs/dbraw/zinc/02/44/22/132024422.db2.gz HHRABNIXQZCSMX-HZPDHXFCSA-N 2 2 313.445 3.865 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340582639 132036732 /nfs/dbraw/zinc/03/67/32/132036732.db2.gz KNBKZNVHVNMVFJ-IINYFYTJSA-N 2 2 310.228 3.856 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000119855510 132138136 /nfs/dbraw/zinc/13/81/36/132138136.db2.gz NMDQJEYTNJHNEM-UHFFFAOYSA-N 2 2 312.404 3.641 20 0 DHADLP c1cc2c(cccc2C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000299739064 229372949 /nfs/dbraw/zinc/37/29/49/229372949.db2.gz JZVIZLCCCISLPU-INIZCTEOSA-N 2 2 320.440 3.690 20 0 DHADLP c1cc2c(cccc2C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)[nH]1 ZINC000299739064 229372951 /nfs/dbraw/zinc/37/29/51/229372951.db2.gz JZVIZLCCCISLPU-INIZCTEOSA-N 2 2 320.440 3.690 20 0 DHADLP CC(C)[NH+](CCC[NH2+]Cc1ccc(Br)o1)C(C)C ZINC000191263392 337295244 /nfs/dbraw/zinc/29/52/44/337295244.db2.gz NQARLWDMVUHJAK-UHFFFAOYSA-N 2 2 317.271 3.641 20 0 DHADLP CCc1cc(NC[C@H](c2ccsc2)[NH+](CC)CC)nc[nH+]1 ZINC000603381020 435334483 /nfs/dbraw/zinc/33/44/83/435334483.db2.gz FOPLTZUIVUQBNQ-OAHLLOKOSA-N 2 2 304.463 3.596 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCCS2 ZINC000155713507 332773924 /nfs/dbraw/zinc/77/39/24/332773924.db2.gz PPMVFRABISNWQB-CQSZACIVSA-N 2 2 307.850 3.753 20 0 DHADLP C[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)c1ccncc1 ZINC000156383976 332790213 /nfs/dbraw/zinc/79/02/13/332790213.db2.gz VAVZOXYXOJWHPN-GOEBONIOSA-N 2 2 301.459 3.631 20 0 DHADLP CCSc1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000533784598 331689233 /nfs/dbraw/zinc/68/92/33/331689233.db2.gz NNMVTGLENDVHCT-RHSMWYFYSA-N 2 2 324.559 3.887 20 0 DHADLP Cc1cc[nH+]cc1N1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000536336809 331697948 /nfs/dbraw/zinc/69/79/48/331697948.db2.gz PAGRKMIWQBHODK-IBGZPJMESA-N 2 2 307.441 3.590 20 0 DHADLP C[C@H]([NH2+]CCOCC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000313248289 331921356 /nfs/dbraw/zinc/92/13/56/331921356.db2.gz FPXNMDNHSUWMEG-INIZCTEOSA-N 2 2 313.445 3.730 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2Br)c2ccccc21 ZINC000132048355 332089507 /nfs/dbraw/zinc/08/95/07/332089507.db2.gz QFLMPEVGAWGPFH-CVEARBPZSA-N 2 2 317.230 3.684 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3n2CC)CC1 ZINC000091266475 332102573 /nfs/dbraw/zinc/10/25/73/332102573.db2.gz UCPJHILTJYIOKK-HNNXBMFYSA-N 2 2 314.477 3.581 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448024029 332189707 /nfs/dbraw/zinc/18/97/07/332189707.db2.gz WBOAORNSOBITGV-SUMWQHHRSA-N 2 2 302.393 3.516 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448024029 332189708 /nfs/dbraw/zinc/18/97/08/332189708.db2.gz WBOAORNSOBITGV-SUMWQHHRSA-N 2 2 302.393 3.516 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC(Nc3cccc[nH+]3)CC1)CC2 ZINC000536369677 332234080 /nfs/dbraw/zinc/23/40/80/332234080.db2.gz QAWMFMGMPCFWEQ-SFHVURJKSA-N 2 2 311.404 3.785 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](CC(C)C)c1ccccn1)CCC2 ZINC000363755821 332240482 /nfs/dbraw/zinc/24/04/82/332240482.db2.gz FXLYGKRMTMOBOY-WMZOPIPTSA-N 2 2 312.461 3.841 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000363792796 332248691 /nfs/dbraw/zinc/24/86/91/332248691.db2.gz ODMFNJSXKVTTIF-CYBMUJFWSA-N 2 2 312.442 3.742 20 0 DHADLP CCC(CC)(C[NH2+][C@H](C)c1cn[nH]c1)[NH2+][C@H](C)c1ccccc1 ZINC000556233914 332267105 /nfs/dbraw/zinc/26/71/05/332267105.db2.gz LUCPUFJOFXKIMS-HZPDHXFCSA-N 2 2 314.477 3.970 20 0 DHADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000262327268 335099710 /nfs/dbraw/zinc/09/97/10/335099710.db2.gz RYESDCRHDIBGOP-JECHBYEQSA-N 2 2 300.377 3.630 20 0 DHADLP CC(C)C(C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)C(C)C ZINC000560059573 332307145 /nfs/dbraw/zinc/30/71/45/332307145.db2.gz HPEKFVJAOBVCNV-UHFFFAOYSA-N 2 2 313.489 3.992 20 0 DHADLP c1cc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000049153301 332307642 /nfs/dbraw/zinc/30/76/42/332307642.db2.gz GRTCJKUYKJEKBR-SFHVURJKSA-N 2 2 300.471 3.545 20 0 DHADLP c1cc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000049153301 332307643 /nfs/dbraw/zinc/30/76/43/332307643.db2.gz GRTCJKUYKJEKBR-SFHVURJKSA-N 2 2 300.471 3.545 20 0 DHADLP CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000560171252 332316951 /nfs/dbraw/zinc/31/69/51/332316951.db2.gz KITGPXDRLQYCRW-HXUWFJFHSA-N 2 2 316.489 3.542 20 0 DHADLP CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000560171252 332316952 /nfs/dbraw/zinc/31/69/52/332316952.db2.gz KITGPXDRLQYCRW-HXUWFJFHSA-N 2 2 316.489 3.542 20 0 DHADLP CC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000560171252 332316953 /nfs/dbraw/zinc/31/69/53/332316953.db2.gz KITGPXDRLQYCRW-HXUWFJFHSA-N 2 2 316.489 3.542 20 0 DHADLP CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000560171252 332316954 /nfs/dbraw/zinc/31/69/54/332316954.db2.gz KITGPXDRLQYCRW-HXUWFJFHSA-N 2 2 316.489 3.542 20 0 DHADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152871536 332329935 /nfs/dbraw/zinc/32/99/35/332329935.db2.gz LRZBLSJNHYDWCE-MAUKXSAKSA-N 2 2 309.457 3.908 20 0 DHADLP CC(C)C[C@@H](CN[C@@H](c1[nH]cc[nH+]1)C1CCCCC1)[NH+](C)C ZINC000560522816 332350214 /nfs/dbraw/zinc/35/02/14/332350214.db2.gz KBCATGDUELCOQJ-DLBZAZTESA-N 2 2 306.498 3.597 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C)cc1Cl)CCC2 ZINC000566336042 332353301 /nfs/dbraw/zinc/35/33/01/332353301.db2.gz ONUPDLIDABATDQ-OAHLLOKOSA-N 2 2 303.837 3.821 20 0 DHADLP CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000427866782 332550706 /nfs/dbraw/zinc/55/07/06/332550706.db2.gz MIJKSUYRJAOWCW-JKSUJKDBSA-N 2 2 303.837 3.982 20 0 DHADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000427881811 332553500 /nfs/dbraw/zinc/55/35/00/332553500.db2.gz JRJLLJPNSRVHLU-KXBFYZLASA-N 2 2 309.413 3.931 20 0 DHADLP Clc1ccccc1[C@@H]1CCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427879417 332553713 /nfs/dbraw/zinc/55/37/13/332553713.db2.gz SPGIFBAVRVSASZ-JLJPHGGASA-N 2 2 315.848 3.777 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000427887953 332555497 /nfs/dbraw/zinc/55/54/97/332555497.db2.gz VFXFFSLEBBKTDJ-TZMCWYRMSA-N 2 2 319.861 3.678 20 0 DHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427891689 332556794 /nfs/dbraw/zinc/55/67/94/332556794.db2.gz DZOIZXAPCRQMFT-MJGOQNOKSA-N 2 2 309.457 3.989 20 0 DHADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ncoc1-c1ccccc1 ZINC000563880537 335114585 /nfs/dbraw/zinc/11/45/85/335114585.db2.gz RPOGTBOLOHKTJB-DOTOQJQBSA-N 2 2 313.445 3.742 20 0 DHADLP CC[C@@H](C[NH2+]Cc1ccc(OC)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000518766184 333031884 /nfs/dbraw/zinc/03/18/84/333031884.db2.gz IFHLBDCKRTZCCQ-FQEVSTJZSA-N 2 2 324.468 3.622 20 0 DHADLP CC[C@@H](C[NH2+]Cc1ccc(OC)cc1)[N@H+]1CCc2ccccc2C1 ZINC000518766184 333031886 /nfs/dbraw/zinc/03/18/86/333031886.db2.gz IFHLBDCKRTZCCQ-FQEVSTJZSA-N 2 2 324.468 3.622 20 0 DHADLP CSc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000582062604 333195981 /nfs/dbraw/zinc/19/59/81/333195981.db2.gz QRXWHXABDVCATK-QGZVFWFLSA-N 2 2 301.459 3.662 20 0 DHADLP COc1cc(Cl)ccc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000582089540 333208897 /nfs/dbraw/zinc/20/88/97/333208897.db2.gz KIWASIBPEWPTNS-UHFFFAOYSA-N 2 2 304.821 3.774 20 0 DHADLP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000185926562 333215920 /nfs/dbraw/zinc/21/59/20/333215920.db2.gz RQAPNIOESRKLAH-WDEREUQCSA-N 2 2 321.412 3.687 20 0 DHADLP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000185926562 333215922 /nfs/dbraw/zinc/21/59/22/333215922.db2.gz RQAPNIOESRKLAH-WDEREUQCSA-N 2 2 321.412 3.687 20 0 DHADLP C[C@@H]1[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H]1c1ccccc1 ZINC000497393584 333245325 /nfs/dbraw/zinc/24/53/25/333245325.db2.gz UZYOFBRGHNMCFD-VDGAXYAQSA-N 2 2 321.468 3.832 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497854672 333302254 /nfs/dbraw/zinc/30/22/54/333302254.db2.gz XBZRVTGHSSZGDN-RTBURBONSA-N 2 2 302.437 3.836 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497854672 333302256 /nfs/dbraw/zinc/30/22/56/333302256.db2.gz XBZRVTGHSSZGDN-RTBURBONSA-N 2 2 302.437 3.836 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390589158 333304074 /nfs/dbraw/zinc/30/40/74/333304074.db2.gz OMPXLLYPBNORHK-YLJYHZDGSA-N 2 2 324.468 3.577 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390589158 333304076 /nfs/dbraw/zinc/30/40/76/333304076.db2.gz OMPXLLYPBNORHK-YLJYHZDGSA-N 2 2 324.468 3.577 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)cc1 ZINC000120650304 333304329 /nfs/dbraw/zinc/30/43/29/333304329.db2.gz CPMVIMZMTYNREX-AWEZNQCLSA-N 2 2 309.413 3.704 20 0 DHADLP Fc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1-c1cccs1 ZINC000040222843 333341086 /nfs/dbraw/zinc/34/10/86/333341086.db2.gz OAUXQMDMJVVKJI-UHFFFAOYSA-N 2 2 304.434 3.740 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(C)C)C[C@H]1C ZINC000531382308 333347969 /nfs/dbraw/zinc/34/79/69/333347969.db2.gz SDRCQHPERKQPPH-SJLPKXTDSA-N 2 2 304.478 3.778 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(C)C)C[C@H]1C ZINC000531382308 333347971 /nfs/dbraw/zinc/34/79/71/333347971.db2.gz SDRCQHPERKQPPH-SJLPKXTDSA-N 2 2 304.478 3.778 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OC(C)C)C[C@H]1C ZINC000531382308 333347973 /nfs/dbraw/zinc/34/79/73/333347973.db2.gz SDRCQHPERKQPPH-SJLPKXTDSA-N 2 2 304.478 3.778 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(C)C)C[C@H]1C ZINC000531382308 333347975 /nfs/dbraw/zinc/34/79/75/333347975.db2.gz SDRCQHPERKQPPH-SJLPKXTDSA-N 2 2 304.478 3.778 20 0 DHADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000040503018 333353486 /nfs/dbraw/zinc/35/34/86/333353486.db2.gz ANYUOEBSCWVASO-GDBMZVCRSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000040503018 333353487 /nfs/dbraw/zinc/35/34/87/333353487.db2.gz ANYUOEBSCWVASO-GDBMZVCRSA-N 2 2 323.278 3.510 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000221780510 333366306 /nfs/dbraw/zinc/36/63/06/333366306.db2.gz FTPBMSGFHMYDIQ-UHFFFAOYSA-N 2 2 320.811 3.761 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000221780510 333366307 /nfs/dbraw/zinc/36/63/07/333366307.db2.gz FTPBMSGFHMYDIQ-UHFFFAOYSA-N 2 2 320.811 3.761 20 0 DHADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000121235647 333384579 /nfs/dbraw/zinc/38/45/79/333384579.db2.gz OZWYOGVGDWTRGS-UHFFFAOYSA-N 2 2 309.457 3.618 20 0 DHADLP COC1(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CCCCC1 ZINC000319700524 333398034 /nfs/dbraw/zinc/39/80/34/333398034.db2.gz RTXAJBWZPYVHOI-IBGZPJMESA-N 2 2 316.489 3.762 20 0 DHADLP CCC(CC)[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000320782498 335141166 /nfs/dbraw/zinc/14/11/66/335141166.db2.gz GXEPPCJGXJZNDJ-SFHVURJKSA-N 2 2 314.477 3.753 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)c(F)c1 ZINC000534328895 333577132 /nfs/dbraw/zinc/57/71/32/333577132.db2.gz SBXBBTZZXWDAQS-LBPRGKRZSA-N 2 2 321.827 3.905 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1C ZINC000414061555 333889059 /nfs/dbraw/zinc/88/90/59/333889059.db2.gz KLEUQYFMNDTDIL-HBUWYVDXSA-N 2 2 306.881 3.939 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1C[C@H]1C ZINC000414061557 333889133 /nfs/dbraw/zinc/88/91/33/333889133.db2.gz KLEUQYFMNDTDIL-LBTNJELSSA-N 2 2 306.881 3.939 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1C[C@@H]1C ZINC000414075308 333891974 /nfs/dbraw/zinc/89/19/74/333891974.db2.gz OZZONUZUCKOWQI-JVPBZIDWSA-N 2 2 304.453 3.814 20 0 DHADLP Clc1cccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000414146581 333902995 /nfs/dbraw/zinc/90/29/95/333902995.db2.gz VHRHHDUZEPAQGT-HYVNUMGLSA-N 2 2 315.848 3.777 20 0 DHADLP COCC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414211291 333922402 /nfs/dbraw/zinc/92/24/02/333922402.db2.gz VGGCKHDXWHTTEU-OAHLLOKOSA-N 2 2 324.896 3.567 20 0 DHADLP CC(C)c1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000414312471 333937545 /nfs/dbraw/zinc/93/75/45/333937545.db2.gz WNPBMMIVLKNKBS-UHFFFAOYSA-N 2 2 323.484 3.959 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000271368598 334021581 /nfs/dbraw/zinc/02/15/81/334021581.db2.gz GOHWCEGJILDBCY-NVXWUHKLSA-N 2 2 315.486 3.939 20 0 DHADLP Cc1cccc2nc(C3CC[NH+](CC[NH2+]C(C)(C)C)CC3)oc21 ZINC000414733099 334075317 /nfs/dbraw/zinc/07/53/17/334075317.db2.gz CLSHKROQOMLHIN-UHFFFAOYSA-N 2 2 315.461 3.704 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)[N@@H+]1CCCC[C@H]1C ZINC000438085229 334088659 /nfs/dbraw/zinc/08/86/59/334088659.db2.gz ASPGNWFQDUHWBP-KBXIAJHMSA-N 2 2 306.416 3.960 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)[N@H+]1CCCC[C@H]1C ZINC000438085229 334088661 /nfs/dbraw/zinc/08/86/61/334088661.db2.gz ASPGNWFQDUHWBP-KBXIAJHMSA-N 2 2 306.416 3.960 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](CNc1c(C)c(C)[nH+]c3ccccc31)CCC2 ZINC000343506903 335172616 /nfs/dbraw/zinc/17/26/16/335172616.db2.gz GQIKIRCUHOQODJ-INIZCTEOSA-N 2 2 320.440 3.768 20 0 DHADLP Cc1cccn2c(C[NH2+]C[C@H]([NH3+])c3ccc(C(C)C)cc3)cnc12 ZINC000414822211 334108226 /nfs/dbraw/zinc/10/82/26/334108226.db2.gz DJCMJLHNMYMRND-IBGZPJMESA-N 2 2 322.456 3.556 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414827189 334110084 /nfs/dbraw/zinc/11/00/84/334110084.db2.gz GVJBRFGLCSKXFR-DYVFJYSZSA-N 2 2 322.374 3.926 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1Br ZINC000414832744 334111032 /nfs/dbraw/zinc/11/10/32/334111032.db2.gz ORGAPYYYSPUHPB-MRXNPFEDSA-N 2 2 319.246 3.547 20 0 DHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414837269 334111561 /nfs/dbraw/zinc/11/15/61/334111561.db2.gz JJUHVVYDFDARPT-NSISKUIASA-N 3 2 321.553 3.527 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1 ZINC000414841238 334112864 /nfs/dbraw/zinc/11/28/64/334112864.db2.gz HMFWPWGEAFSIFH-OTWHNJEPSA-N 2 2 304.478 3.603 20 0 DHADLP Cc1cccc2ncc(C[NH2+]C[C@H]([NH3+])c3ccc(C(C)C)cc3)n21 ZINC000414843030 334113111 /nfs/dbraw/zinc/11/31/11/334113111.db2.gz JFDJDMVMKVUCLD-IBGZPJMESA-N 2 2 322.456 3.556 20 0 DHADLP Cc1nc(C)c(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000414849563 334121938 /nfs/dbraw/zinc/12/19/38/334121938.db2.gz RNGMFGNSBIXXOD-INIZCTEOSA-N 2 2 303.475 3.673 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000286204599 334151784 /nfs/dbraw/zinc/15/17/84/334151784.db2.gz RODXGMZTNPFERY-SJORKVTESA-N 2 2 324.472 3.661 20 0 DHADLP C[C@@H](CC1CCOCC1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414931943 334195170 /nfs/dbraw/zinc/19/51/70/334195170.db2.gz CDBBDIRECLBYAI-MGPUTAFESA-N 2 2 312.457 3.634 20 0 DHADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414934372 334197102 /nfs/dbraw/zinc/19/71/02/334197102.db2.gz VGCJBMVHHFPXIL-IBGZPJMESA-N 2 2 309.457 3.616 20 0 DHADLP COc1ccccc1[C@H]([NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000415083477 334272387 /nfs/dbraw/zinc/27/23/87/334272387.db2.gz FOWOCWZYDXZGOX-DJPFJPOOSA-N 2 2 324.468 3.905 20 0 DHADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414963184 334213501 /nfs/dbraw/zinc/21/35/01/334213501.db2.gz WRGXJXZKHHAWDW-SWLSCSKDSA-N 2 2 300.368 3.584 20 0 DHADLP FC(F)(F)C1CCC([NH2+]C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000414963269 334213636 /nfs/dbraw/zinc/21/36/36/334213636.db2.gz WZGAJEGENKZPGC-ZBCRRDGASA-N 2 2 312.379 3.584 20 0 DHADLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000415032881 334260254 /nfs/dbraw/zinc/26/02/54/334260254.db2.gz BFFZZQUCCYBWRP-INIZCTEOSA-N 2 2 319.449 3.556 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000415043135 334260928 /nfs/dbraw/zinc/26/09/28/334260928.db2.gz AGIKKGXHAOGBMN-IIAWOOMASA-N 2 2 314.395 3.960 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000415113819 334282151 /nfs/dbraw/zinc/28/21/51/334282151.db2.gz SRPULMCIUUIMDZ-VHSXEESVSA-N 2 2 305.224 3.783 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000531946940 334305085 /nfs/dbraw/zinc/30/50/85/334305085.db2.gz WTJXSPYZULPYMV-GVDBMIGSSA-N 2 2 304.478 3.509 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000531946940 334305086 /nfs/dbraw/zinc/30/50/86/334305086.db2.gz WTJXSPYZULPYMV-GVDBMIGSSA-N 2 2 304.478 3.509 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H](C(C)C)[C@@H](C)C2)CC1 ZINC000534630283 334305356 /nfs/dbraw/zinc/30/53/56/334305356.db2.gz PJZLLRKVVLUZTR-SCTDSRPQSA-N 2 2 324.553 3.926 20 0 DHADLP CC(C)=CCC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000531955606 334307264 /nfs/dbraw/zinc/30/72/64/334307264.db2.gz GIKZZDCHNHDBDR-GOSISDBHSA-N 2 2 316.489 3.743 20 0 DHADLP CC(C)=CCC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000531955607 334307340 /nfs/dbraw/zinc/30/73/40/334307340.db2.gz GIKZZDCHNHDBDR-SFHVURJKSA-N 2 2 316.489 3.743 20 0 DHADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000531965078 334320001 /nfs/dbraw/zinc/32/00/01/334320001.db2.gz AKFCEXSXTWYKCM-IUODEOHRSA-N 2 2 314.395 3.523 20 0 DHADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000531965078 334320002 /nfs/dbraw/zinc/32/00/02/334320002.db2.gz AKFCEXSXTWYKCM-IUODEOHRSA-N 2 2 314.395 3.523 20 0 DHADLP c1ccc2c(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccnc2c1 ZINC000535069077 334363766 /nfs/dbraw/zinc/36/37/66/334363766.db2.gz QMMAFGOANPUWTL-UHFFFAOYSA-N 2 2 309.457 3.685 20 0 DHADLP Cc1cccc(NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[nH+]1 ZINC000340875061 334392290 /nfs/dbraw/zinc/39/22/90/334392290.db2.gz LHOYZTWJCAOJOI-GOSISDBHSA-N 2 2 313.445 3.892 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3cc(F)ccc31)CCC2 ZINC000341699879 334471530 /nfs/dbraw/zinc/47/15/30/334471530.db2.gz SDEREKPFHGOUJY-QAPCUYQASA-N 2 2 313.420 3.875 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000343868104 335198608 /nfs/dbraw/zinc/19/86/08/335198608.db2.gz VVHZZTIIELASHV-JTQLQIEISA-N 2 2 321.412 3.685 20 0 DHADLP CCC(CC)[C@@H](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OC ZINC000344331429 335241454 /nfs/dbraw/zinc/24/14/54/335241454.db2.gz XJRLPQKYNIJNDF-QGZVFWFLSA-N 2 2 321.490 3.865 20 0 DHADLP CC(C)C[C@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000344335151 335241941 /nfs/dbraw/zinc/24/19/41/335241941.db2.gz RIIXAFBVSJMEEJ-ZBFHGGJFSA-N 2 2 319.474 3.617 20 0 DHADLP CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344353085 335243487 /nfs/dbraw/zinc/24/34/87/335243487.db2.gz IYCRLJMFBJPWGO-CYBMUJFWSA-N 2 2 312.442 3.742 20 0 DHADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000344514411 335257949 /nfs/dbraw/zinc/25/79/49/335257949.db2.gz LBTKAIMRTZNJKF-QGZVFWFLSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000344514411 335257950 /nfs/dbraw/zinc/25/79/50/335257950.db2.gz LBTKAIMRTZNJKF-QGZVFWFLSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)CCC2 ZINC000344780494 335276835 /nfs/dbraw/zinc/27/68/35/335276835.db2.gz YKLJXUVTVMVBMC-OTWHNJEPSA-N 2 2 309.457 3.995 20 0 DHADLP Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000344843937 335279346 /nfs/dbraw/zinc/27/93/46/335279346.db2.gz XWXOSCQGTKKZTF-IBGZPJMESA-N 2 2 309.413 3.932 20 0 DHADLP CC1CCC(Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CC1 ZINC000344875990 335281966 /nfs/dbraw/zinc/28/19/66/335281966.db2.gz HLSJPXMTCAMGGD-UHFFFAOYSA-N 2 2 316.493 3.603 20 0 DHADLP COCC[C@@H]1CCCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000344898882 335283897 /nfs/dbraw/zinc/28/38/97/335283897.db2.gz VENDFBOHUIGMSD-HNNXBMFYSA-N 2 2 319.474 3.572 20 0 DHADLP COCC[C@@H]1CCCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000344898882 335283899 /nfs/dbraw/zinc/28/38/99/335283899.db2.gz VENDFBOHUIGMSD-HNNXBMFYSA-N 2 2 319.474 3.572 20 0 DHADLP COc1ccccc1C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346174416 335377847 /nfs/dbraw/zinc/37/78/47/335377847.db2.gz MGPZISITYLJEAT-UHFFFAOYSA-N 2 2 313.426 3.574 20 0 DHADLP COc1ccccc1C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346174416 335377849 /nfs/dbraw/zinc/37/78/49/335377849.db2.gz MGPZISITYLJEAT-UHFFFAOYSA-N 2 2 313.426 3.574 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@@H]3CCC[C@H](C)C3)sc2C1 ZINC000346142740 335381020 /nfs/dbraw/zinc/38/10/20/335381020.db2.gz CDPOSSCZTOMBNR-LSDHHAIUSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@@H]3CCC[C@H](C)C3)sc2C1 ZINC000346142740 335381021 /nfs/dbraw/zinc/38/10/21/335381021.db2.gz CDPOSSCZTOMBNR-LSDHHAIUSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@@H]3CCC[C@H](C)C3)sc2C1 ZINC000346142740 335381022 /nfs/dbraw/zinc/38/10/22/335381022.db2.gz CDPOSSCZTOMBNR-LSDHHAIUSA-N 2 2 321.534 3.920 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc2cccnc12 ZINC000346162730 335383944 /nfs/dbraw/zinc/38/39/44/335383944.db2.gz FBDMYYABLYAQMR-HNAYVOBHSA-N 2 2 320.440 3.823 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc2cccnc12 ZINC000346162730 335383945 /nfs/dbraw/zinc/38/39/45/335383945.db2.gz FBDMYYABLYAQMR-HNAYVOBHSA-N 2 2 320.440 3.823 20 0 DHADLP CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346186536 335387774 /nfs/dbraw/zinc/38/77/74/335387774.db2.gz ZBKZDBKAMRXYKT-RDJZCZTQSA-N 2 2 319.474 3.569 20 0 DHADLP CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346186536 335387775 /nfs/dbraw/zinc/38/77/75/335387775.db2.gz ZBKZDBKAMRXYKT-RDJZCZTQSA-N 2 2 319.474 3.569 20 0 DHADLP CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346200185 335389535 /nfs/dbraw/zinc/38/95/35/335389535.db2.gz LMFPWQQOYWVBCX-HOTGVXAUSA-N 2 2 319.474 3.569 20 0 DHADLP CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346200185 335389537 /nfs/dbraw/zinc/38/95/37/335389537.db2.gz LMFPWQQOYWVBCX-HOTGVXAUSA-N 2 2 319.474 3.569 20 0 DHADLP C[C@@H](C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)c1nccs1 ZINC000346265523 335396324 /nfs/dbraw/zinc/39/63/24/335396324.db2.gz HKKFPXYSTLKIPN-LBPRGKRZSA-N 2 2 318.471 3.626 20 0 DHADLP C[C@@H](C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)c1nccs1 ZINC000346265523 335396325 /nfs/dbraw/zinc/39/63/25/335396325.db2.gz HKKFPXYSTLKIPN-LBPRGKRZSA-N 2 2 318.471 3.626 20 0 DHADLP CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000348268288 335569819 /nfs/dbraw/zinc/56/98/19/335569819.db2.gz DPLLXQHEHIJESM-IFXJQAMLSA-N 2 2 300.446 3.839 20 0 DHADLP c1cn(Cc2ccc(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)cc2)c[nH+]1 ZINC000348236833 335572529 /nfs/dbraw/zinc/57/25/29/335572529.db2.gz BYKWHOVOVYUFEQ-RTWAWAEBSA-N 2 2 317.436 3.825 20 0 DHADLP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000367087208 335661869 /nfs/dbraw/zinc/66/18/69/335661869.db2.gz OPIDTEGYHROYSE-CRAIPNDOSA-N 2 2 322.518 3.507 20 0 DHADLP Cc1ccc(F)cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000350626057 335767104 /nfs/dbraw/zinc/76/71/04/335767104.db2.gz LJFYJDLTLDGCSD-UHFFFAOYSA-N 2 2 309.388 3.669 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]CCCCOc2ccccc2)[C@H]1c1ccccc1 ZINC000526112752 336157868 /nfs/dbraw/zinc/15/78/68/336157868.db2.gz HQGPMIIFRAEWSM-NHCUHLMSSA-N 2 2 324.468 3.881 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]CCCCOc2ccccc2)[C@H]1c1ccccc1 ZINC000526112752 336157870 /nfs/dbraw/zinc/15/78/70/336157870.db2.gz HQGPMIIFRAEWSM-NHCUHLMSSA-N 2 2 324.468 3.881 20 0 DHADLP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1C ZINC000351995118 336186765 /nfs/dbraw/zinc/18/67/65/336186765.db2.gz IZSDWWLXHMEDOU-HNNXBMFYSA-N 2 2 308.429 3.887 20 0 DHADLP Cc1ccc2[nH]c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1C ZINC000351995118 336186767 /nfs/dbraw/zinc/18/67/67/336186767.db2.gz IZSDWWLXHMEDOU-HNNXBMFYSA-N 2 2 308.429 3.887 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCSc3ccccc32)s1 ZINC000352252243 336207067 /nfs/dbraw/zinc/20/70/67/336207067.db2.gz XRRKIMYCXMZALO-CQSZACIVSA-N 2 2 319.499 3.531 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000352650761 336228815 /nfs/dbraw/zinc/22/88/15/336228815.db2.gz ZGPXHVOMDPJOQS-HZPDHXFCSA-N 2 2 321.424 3.860 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1OC(F)F ZINC000352682135 336230097 /nfs/dbraw/zinc/23/00/97/336230097.db2.gz BYFXROUVAQWMEJ-UHOFOFEASA-N 2 2 324.415 3.811 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1OC(F)F ZINC000352682135 336230098 /nfs/dbraw/zinc/23/00/98/336230098.db2.gz BYFXROUVAQWMEJ-UHOFOFEASA-N 2 2 324.415 3.811 20 0 DHADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352685961 336230382 /nfs/dbraw/zinc/23/03/82/336230382.db2.gz WODCIJQKHINUNS-ZLIFDBKOSA-N 2 2 302.462 3.674 20 0 DHADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352685961 336230383 /nfs/dbraw/zinc/23/03/83/336230383.db2.gz WODCIJQKHINUNS-ZLIFDBKOSA-N 2 2 302.462 3.674 20 0 DHADLP Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352737749 336233097 /nfs/dbraw/zinc/23/30/97/336233097.db2.gz RAAROWUZRCKUGW-AWEZNQCLSA-N 2 2 303.475 3.672 20 0 DHADLP c1cn(Cc2cccc(C[NH2+]Cc3ccc4occc4c3)c2)c[nH+]1 ZINC000352767324 336233973 /nfs/dbraw/zinc/23/39/73/336233973.db2.gz CBUTXLSQPCPMFJ-UHFFFAOYSA-N 2 2 317.392 3.967 20 0 DHADLP CCc1ccc(C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000352773851 336235595 /nfs/dbraw/zinc/23/55/95/336235595.db2.gz VBMAIIUWPHKLDA-UHFFFAOYSA-N 2 2 323.484 3.571 20 0 DHADLP CCc1ccc(C[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000352773851 336235596 /nfs/dbraw/zinc/23/55/96/336235596.db2.gz VBMAIIUWPHKLDA-UHFFFAOYSA-N 2 2 323.484 3.571 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000532446163 336247723 /nfs/dbraw/zinc/24/77/23/336247723.db2.gz CEBFNNBBXVOSNI-APHBMKBZSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000532446163 336247724 /nfs/dbraw/zinc/24/77/24/336247724.db2.gz CEBFNNBBXVOSNI-APHBMKBZSA-N 2 2 308.853 3.626 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2CCCC(C)(C)C2)CC1 ZINC000532785893 336271201 /nfs/dbraw/zinc/27/12/01/336271201.db2.gz WKZAQVWWCKVGFQ-INIZCTEOSA-N 2 2 310.526 3.682 20 0 DHADLP CCN(CC)c1ccc(CNc2cc(C)[nH+]c(C(C)C)n2)c[nH+]1 ZINC000301100403 336290029 /nfs/dbraw/zinc/29/00/29/336290029.db2.gz NXDFNRKFAGQKOS-UHFFFAOYSA-N 2 2 313.449 3.762 20 0 DHADLP Cc1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)nc[nH+]1 ZINC000301225953 336295643 /nfs/dbraw/zinc/29/56/43/336295643.db2.gz DPFGHEBBQSUNIO-UHFFFAOYSA-N 2 2 310.445 3.773 20 0 DHADLP Cc1ccc([C@@H](CNc2cc[nH+]cc2Cl)[NH+]2CCCC2)o1 ZINC000301538182 336313403 /nfs/dbraw/zinc/31/34/03/336313403.db2.gz UQIULIVYYNCMPY-OAHLLOKOSA-N 2 2 305.809 3.885 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301544340 336313765 /nfs/dbraw/zinc/31/37/65/336313765.db2.gz SWYMXCZFAHCJMZ-OAHLLOKOSA-N 2 2 304.482 3.841 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301544340 336313766 /nfs/dbraw/zinc/31/37/66/336313766.db2.gz SWYMXCZFAHCJMZ-OAHLLOKOSA-N 2 2 304.482 3.841 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCNc1cc[nH+]cc1Cl ZINC000301578911 336316121 /nfs/dbraw/zinc/31/61/21/336316121.db2.gz NALZODYHQMJZDI-UHFFFAOYSA-N 2 2 300.793 3.895 20 0 DHADLP Cc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccccc2[nH+]1 ZINC000301629522 336319313 /nfs/dbraw/zinc/31/93/13/336319313.db2.gz IDJRWWGSKBHVEA-INIZCTEOSA-N 2 2 305.381 3.596 20 0 DHADLP Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc2[nH+]1 ZINC000301629523 336319378 /nfs/dbraw/zinc/31/93/78/336319378.db2.gz IDJRWWGSKBHVEA-MRXNPFEDSA-N 2 2 305.381 3.596 20 0 DHADLP Cc1[nH+]c2ccccc2c(N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000302064128 336346426 /nfs/dbraw/zinc/34/64/26/336346426.db2.gz DLMFEXMFBXTRCM-UHFFFAOYSA-N 2 2 318.424 3.573 20 0 DHADLP Cc1cc(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nc[nH+]1 ZINC000302225915 336354983 /nfs/dbraw/zinc/35/49/83/336354983.db2.gz SABQWVGCVOFFRO-CQSZACIVSA-N 2 2 324.350 3.519 20 0 DHADLP Cc1cccc(N2CCC[N@H+](CCCc3ccccc3)CC2)[nH+]1 ZINC000302236783 336355697 /nfs/dbraw/zinc/35/56/97/336355697.db2.gz JVLOHVYTIHYKBQ-UHFFFAOYSA-N 2 2 309.457 3.535 20 0 DHADLP Cc1cccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)[nH+]1 ZINC000302236783 336355698 /nfs/dbraw/zinc/35/56/98/336355698.db2.gz JVLOHVYTIHYKBQ-UHFFFAOYSA-N 2 2 309.457 3.535 20 0 DHADLP COc1cccc2c(NC3CC[NH+](C(C)C)CC3)c(C)c[nH+]c12 ZINC000302611251 336362525 /nfs/dbraw/zinc/36/25/25/336362525.db2.gz BQIOIBSBSDFPIK-UHFFFAOYSA-N 2 2 313.445 3.837 20 0 DHADLP COc1cccc2c(NCCc3cc[nH+]cc3C)c(C)c[nH+]c12 ZINC000302679669 336364588 /nfs/dbraw/zinc/36/45/88/336364588.db2.gz WDGWGQDXIMHMFD-UHFFFAOYSA-N 2 2 307.397 3.910 20 0 DHADLP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000302834468 336371329 /nfs/dbraw/zinc/37/13/29/336371329.db2.gz TYFVSRSCGWDOSD-RDJZCZTQSA-N 2 2 303.356 3.526 20 0 DHADLP Cc1cc[nH+]c(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000302834468 336371330 /nfs/dbraw/zinc/37/13/30/336371330.db2.gz TYFVSRSCGWDOSD-RDJZCZTQSA-N 2 2 303.356 3.526 20 0 DHADLP CC(C)c1nc(N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302897044 336373638 /nfs/dbraw/zinc/37/36/38/336373638.db2.gz PFWWPFQOKFWBEJ-LSDHHAIUSA-N 2 2 318.509 3.816 20 0 DHADLP CC(C)c1nc(N(C)C[C@@H]2CCC[N@@H+](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302905543 336374042 /nfs/dbraw/zinc/37/40/42/336374042.db2.gz SMNWFUKUDUGTNT-OAHLLOKOSA-N 2 2 318.509 3.676 20 0 DHADLP Cc1cccc(CCC[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000352920813 336377143 /nfs/dbraw/zinc/37/71/43/336377143.db2.gz ATYDJSUPYMEJED-WIYYLYMNSA-N 2 2 323.484 3.748 20 0 DHADLP Cc1cccc(CCC[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000352920813 336377144 /nfs/dbraw/zinc/37/71/44/336377144.db2.gz ATYDJSUPYMEJED-WIYYLYMNSA-N 2 2 323.484 3.748 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000034995848 336389694 /nfs/dbraw/zinc/38/96/94/336389694.db2.gz CUUSJVTWZJOLPF-INIZCTEOSA-N 2 2 300.471 3.989 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000034995848 336389695 /nfs/dbraw/zinc/38/96/95/336389695.db2.gz CUUSJVTWZJOLPF-INIZCTEOSA-N 2 2 300.471 3.989 20 0 DHADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc[nH+]c(C2CC2)n1 ZINC000110212058 336395886 /nfs/dbraw/zinc/39/58/86/336395886.db2.gz UWCLUHSCLMHGRM-UHFFFAOYSA-N 2 2 310.445 3.806 20 0 DHADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc[nH+]c(C2CC2)n1 ZINC000110212058 336395887 /nfs/dbraw/zinc/39/58/87/336395887.db2.gz UWCLUHSCLMHGRM-UHFFFAOYSA-N 2 2 310.445 3.806 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)CNc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000112555744 336399668 /nfs/dbraw/zinc/39/96/68/336399668.db2.gz GIPZKRZNYSYVQG-CQSZACIVSA-N 2 2 310.445 3.895 20 0 DHADLP CCC[NH+]1CCN(c2ccccc2CNc2c[nH+]ccc2C)CC1 ZINC000353221177 336407008 /nfs/dbraw/zinc/40/70/08/336407008.db2.gz OVGSSVAIFFPMJU-UHFFFAOYSA-N 2 2 324.472 3.534 20 0 DHADLP Cc1ccc([C@H](C[NH2+]CCCc2ccc(C)[nH+]c2)N(C)C)cc1 ZINC000354124274 336460638 /nfs/dbraw/zinc/46/06/38/336460638.db2.gz IYVKFGDMDKNCDY-FQEVSTJZSA-N 2 2 311.473 3.524 20 0 DHADLP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354579137 336475699 /nfs/dbraw/zinc/47/56/99/336475699.db2.gz ZZUMBYYSFWHXDZ-BEFAXECRSA-N 2 2 316.420 3.828 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c[nH+]1 ZINC000354586907 336475938 /nfs/dbraw/zinc/47/59/38/336475938.db2.gz RIECLCQODCAVPR-INIZCTEOSA-N 2 2 314.433 3.570 20 0 DHADLP Cc1ccc(CCC[NH2+]CCc2ccc(F)c(F)c2F)c[nH+]1 ZINC000354645942 336477531 /nfs/dbraw/zinc/47/75/31/336477531.db2.gz JODZRKZAQZHDMI-UHFFFAOYSA-N 2 2 308.347 3.572 20 0 DHADLP FC(F)(F)c1cscc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000356053714 336533753 /nfs/dbraw/zinc/53/37/53/336533753.db2.gz ASYIEFKOAHXEJL-UHFFFAOYSA-N 2 2 315.364 3.870 20 0 DHADLP COc1cccc2c(NCc3ccn4cc[nH+]c4c3)c(C)c[nH+]c12 ZINC000357414698 336584542 /nfs/dbraw/zinc/58/45/42/336584542.db2.gz DRYBCOFHCMSXJU-UHFFFAOYSA-N 2 2 318.380 3.812 20 0 DHADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000357708550 336595275 /nfs/dbraw/zinc/59/52/75/336595275.db2.gz OTEKCXZUSUIWCL-KRWDZBQOSA-N 2 2 306.413 3.717 20 0 DHADLP Fc1ccc2c(NCc3[nH+]ccn3CC(F)(F)F)cc[nH+]c2c1 ZINC000359488136 336674889 /nfs/dbraw/zinc/67/48/89/336674889.db2.gz NSKLFFVBCJHHAL-UHFFFAOYSA-N 2 2 324.281 3.745 20 0 DHADLP Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000359529134 336676223 /nfs/dbraw/zinc/67/62/23/336676223.db2.gz JGHJQAYOGREKTF-UONOGXRCSA-N 2 2 310.401 3.889 20 0 DHADLP Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000359529130 336676234 /nfs/dbraw/zinc/67/62/34/336676234.db2.gz JGHJQAYOGREKTF-KGLIPLIRSA-N 2 2 310.401 3.889 20 0 DHADLP Cc1nc2c(s1)[C@H]([NH2+]CCCc1c[nH+]ccc1C)CCC2 ZINC000367362637 336693074 /nfs/dbraw/zinc/69/30/74/336693074.db2.gz YJCJEYSNQNKGOF-OAHLLOKOSA-N 2 2 301.459 3.755 20 0 DHADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)[C@@H]1C ZINC000360873502 336725104 /nfs/dbraw/zinc/72/51/04/336725104.db2.gz PZPFSFZDOURDMM-LMMKCTJWSA-N 2 2 315.505 3.708 20 0 DHADLP Cc1cc(NC[C@]2([NH+](C)C)CCSC2)c2cccc(F)c2[nH+]1 ZINC000360884882 336725719 /nfs/dbraw/zinc/72/57/19/336725719.db2.gz QDVFBJCQFAZHRV-QGZVFWFLSA-N 2 2 319.449 3.532 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000360996469 336731592 /nfs/dbraw/zinc/73/15/92/336731592.db2.gz AFIFNFHUIIXYQO-ZWKOTPCHSA-N 2 2 315.461 3.526 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1F ZINC000361067111 336736543 /nfs/dbraw/zinc/73/65/43/336736543.db2.gz MNDPPVNQLMCVHT-QGZVFWFLSA-N 2 2 310.376 3.647 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccc(C)cc1 ZINC000361222120 336744945 /nfs/dbraw/zinc/74/49/45/336744945.db2.gz XALSSYCZDJXOJR-IBGZPJMESA-N 2 2 318.505 3.925 20 0 DHADLP COc1ccccc1C1CC([NH2+]Cc2c[nH+]c3ccc(C)cn23)C1 ZINC000368560826 336847771 /nfs/dbraw/zinc/84/77/71/336847771.db2.gz GHBKFFXSDUHPDY-UHFFFAOYSA-N 2 2 321.424 3.687 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)CCC2 ZINC000370675721 336890727 /nfs/dbraw/zinc/89/07/27/336890727.db2.gz GOCZSRKWLUHSRA-CYBMUJFWSA-N 2 2 307.800 3.651 20 0 DHADLP c1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373520742 336963633 /nfs/dbraw/zinc/96/36/33/336963633.db2.gz IUBZONFTUZZDLE-LEOMRAHMSA-N 2 2 300.446 3.507 20 0 DHADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000582427465 336973530 /nfs/dbraw/zinc/97/35/30/336973530.db2.gz XDPIWHQVMPOOML-AYOQOUSVSA-N 2 2 302.462 3.610 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]([C@H](C)C3CC3)C3CC3)sc2C1 ZINC000374951223 337000188 /nfs/dbraw/zinc/00/01/88/337000188.db2.gz VJPFQAFQJJQFBL-CYBMUJFWSA-N 2 2 319.518 3.673 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]([C@H](C)C3CC3)C3CC3)sc2C1 ZINC000374951223 337000189 /nfs/dbraw/zinc/00/01/89/337000189.db2.gz VJPFQAFQJJQFBL-CYBMUJFWSA-N 2 2 319.518 3.673 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]([C@H](C)C3CC3)C3CC3)sc2C1 ZINC000374951223 337000191 /nfs/dbraw/zinc/00/01/91/337000191.db2.gz VJPFQAFQJJQFBL-CYBMUJFWSA-N 2 2 319.518 3.673 20 0 DHADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375095038 337003290 /nfs/dbraw/zinc/00/32/90/337003290.db2.gz UMLAROFAEUKQAT-MJGOQNOKSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375095038 337003291 /nfs/dbraw/zinc/00/32/91/337003291.db2.gz UMLAROFAEUKQAT-MJGOQNOKSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@H](c1cnccn1)[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000375095038 337003292 /nfs/dbraw/zinc/00/32/92/337003292.db2.gz UMLAROFAEUKQAT-MJGOQNOKSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@H](c1cnccn1)[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000375095038 337003293 /nfs/dbraw/zinc/00/32/93/337003293.db2.gz UMLAROFAEUKQAT-MJGOQNOKSA-N 2 2 324.472 3.524 20 0 DHADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000375528131 337012800 /nfs/dbraw/zinc/01/28/00/337012800.db2.gz JCUWWXXAJQTCRG-RDJZCZTQSA-N 2 2 305.441 3.558 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](CCC(C)C)c1ccoc1)C2 ZINC000375804217 337019939 /nfs/dbraw/zinc/01/99/39/337019939.db2.gz HEJQFQAZYNRFBJ-IRXDYDNUSA-N 2 2 301.434 3.866 20 0 DHADLP CC1CC[NH+]([C@@H](C[NH2+]Cc2ccn(C)c2)c2cccs2)CC1 ZINC000122926236 337030557 /nfs/dbraw/zinc/03/05/57/337030557.db2.gz RTAOSWXNRQDEGD-KRWDZBQOSA-N 2 2 317.502 3.649 20 0 DHADLP COc1cccc2c(NCc3c[nH+]c4n3CCCC4)cc(C)[nH+]c12 ZINC000376465918 337034021 /nfs/dbraw/zinc/03/40/21/337034021.db2.gz AJPFGBDVNSJMIU-UHFFFAOYSA-N 2 2 322.412 3.697 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)o1 ZINC000376615877 337038223 /nfs/dbraw/zinc/03/82/23/337038223.db2.gz TZFYZMNNWLDDLB-ZDUSSCGKSA-N 2 2 319.474 3.662 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)o1 ZINC000376615877 337038224 /nfs/dbraw/zinc/03/82/24/337038224.db2.gz TZFYZMNNWLDDLB-ZDUSSCGKSA-N 2 2 319.474 3.662 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000376840378 337042514 /nfs/dbraw/zinc/04/25/14/337042514.db2.gz DCBPWAJERDKWAH-CVEARBPZSA-N 2 2 318.427 3.962 20 0 DHADLP Cc1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376968628 337044424 /nfs/dbraw/zinc/04/44/24/337044424.db2.gz RSWCBGHQTRBXAL-PMACEKPBSA-N 2 2 309.457 3.515 20 0 DHADLP Cc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376968628 337044425 /nfs/dbraw/zinc/04/44/25/337044425.db2.gz RSWCBGHQTRBXAL-PMACEKPBSA-N 2 2 309.457 3.515 20 0 DHADLP Cc1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000376968628 337044426 /nfs/dbraw/zinc/04/44/26/337044426.db2.gz RSWCBGHQTRBXAL-PMACEKPBSA-N 2 2 309.457 3.515 20 0 DHADLP Cc1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000376968628 337044427 /nfs/dbraw/zinc/04/44/27/337044427.db2.gz RSWCBGHQTRBXAL-PMACEKPBSA-N 2 2 309.457 3.515 20 0 DHADLP C[C@@H]1CSC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000377403419 337051936 /nfs/dbraw/zinc/05/19/36/337051936.db2.gz SSUQTRUECYNECE-DYVFJYSZSA-N 2 2 324.921 3.646 20 0 DHADLP CSC1(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccc(Cl)c2)CC1 ZINC000377652354 337057428 /nfs/dbraw/zinc/05/74/28/337057428.db2.gz QAVXNNGQKLSRPF-GOEBONIOSA-N 2 2 324.921 3.818 20 0 DHADLP CSC1(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)CC1 ZINC000377652354 337057429 /nfs/dbraw/zinc/05/74/29/337057429.db2.gz QAVXNNGQKLSRPF-GOEBONIOSA-N 2 2 324.921 3.818 20 0 DHADLP C[N@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377866046 337062887 /nfs/dbraw/zinc/06/28/87/337062887.db2.gz VWDLPDPFEHQFLU-LJQANCHMSA-N 2 2 315.505 3.599 20 0 DHADLP C[N@@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377866046 337062888 /nfs/dbraw/zinc/06/28/88/337062888.db2.gz VWDLPDPFEHQFLU-LJQANCHMSA-N 2 2 315.505 3.599 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](CNc1cc[nH+]c3cc(F)ccc13)CCC2 ZINC000378232323 337068520 /nfs/dbraw/zinc/06/85/20/337068520.db2.gz LKAGJIVWBUXHMV-ZDUSSCGKSA-N 2 2 310.376 3.868 20 0 DHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C2CC2)cc1 ZINC000378436758 337072586 /nfs/dbraw/zinc/07/25/86/337072586.db2.gz WFWIOTQOHVYZFF-FUHWJXTLSA-N 2 2 311.429 3.510 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)[C@@H](C)C2 ZINC000378490687 337074189 /nfs/dbraw/zinc/07/41/89/337074189.db2.gz CUHYNFOEKOIXEW-YWZLYKJASA-N 2 2 309.457 3.593 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1N(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651016 337142871 /nfs/dbraw/zinc/14/28/71/337142871.db2.gz SEHVHIZKUOFWRY-INIZCTEOSA-N 2 2 320.440 3.789 20 0 DHADLP Cn1c[nH+]cc1C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000177159629 337154616 /nfs/dbraw/zinc/15/46/16/337154616.db2.gz VHUSKGLGFLHFMM-FQEVSTJZSA-N 2 2 303.409 3.720 20 0 DHADLP Cn1c[nH+]cc1C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000177159629 337154617 /nfs/dbraw/zinc/15/46/17/337154617.db2.gz VHUSKGLGFLHFMM-FQEVSTJZSA-N 2 2 303.409 3.720 20 0 DHADLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1Cl ZINC000177208804 337154639 /nfs/dbraw/zinc/15/46/39/337154639.db2.gz RGEFZTXWZUTPFU-CYBMUJFWSA-N 2 2 312.804 3.772 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1OC(C)C ZINC000177340887 337156965 /nfs/dbraw/zinc/15/69/65/337156965.db2.gz SLZLLXASJAIFQO-MSOLQXFVSA-N 2 2 302.462 3.532 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1OC(C)C ZINC000177340887 337156966 /nfs/dbraw/zinc/15/69/66/337156966.db2.gz SLZLLXASJAIFQO-MSOLQXFVSA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1OC(C)C ZINC000177340887 337156967 /nfs/dbraw/zinc/15/69/67/337156967.db2.gz SLZLLXASJAIFQO-MSOLQXFVSA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1OC(C)C ZINC000177340887 337156968 /nfs/dbraw/zinc/15/69/68/337156968.db2.gz SLZLLXASJAIFQO-MSOLQXFVSA-N 2 2 302.462 3.532 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000182093792 337184527 /nfs/dbraw/zinc/18/45/27/337184527.db2.gz CXODXSNKGJICBL-WVMJFEGXSA-N 2 2 313.420 3.527 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000182093792 337184528 /nfs/dbraw/zinc/18/45/28/337184528.db2.gz CXODXSNKGJICBL-WVMJFEGXSA-N 2 2 313.420 3.527 20 0 DHADLP C[C@H]1C[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC[N@@H+]1C ZINC000182883791 337190602 /nfs/dbraw/zinc/19/06/02/337190602.db2.gz DMOWVSQAZGPVQQ-YJBOKZPZSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@H]1C[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC[N@H+]1C ZINC000182883791 337190603 /nfs/dbraw/zinc/19/06/03/337190603.db2.gz DMOWVSQAZGPVQQ-YJBOKZPZSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000430946361 337251502 /nfs/dbraw/zinc/25/15/02/337251502.db2.gz AIBCSGLJQPVNQZ-GFCCVEGCSA-N 2 2 306.356 3.536 20 0 DHADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000430946361 337251503 /nfs/dbraw/zinc/25/15/03/337251503.db2.gz AIBCSGLJQPVNQZ-GFCCVEGCSA-N 2 2 306.356 3.536 20 0 DHADLP COC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000186514265 337257247 /nfs/dbraw/zinc/25/72/47/337257247.db2.gz MDAPDIYIVVMFCJ-MRXNPFEDSA-N 2 2 313.445 3.872 20 0 DHADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000187256911 337264562 /nfs/dbraw/zinc/26/45/62/337264562.db2.gz VOCOSJLGTXKOJO-UHFFFAOYSA-N 2 2 323.484 3.795 20 0 DHADLP Cc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000187256911 337264563 /nfs/dbraw/zinc/26/45/63/337264563.db2.gz VOCOSJLGTXKOJO-UHFFFAOYSA-N 2 2 323.484 3.795 20 0 DHADLP CCN(C)c1ccc(CNc2[nH+]c3ccccc3n2CC)c[nH+]1 ZINC000191557550 337299014 /nfs/dbraw/zinc/29/90/14/337299014.db2.gz OFSNJNQVOVWXEZ-UHFFFAOYSA-N 2 2 309.417 3.519 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C(C)(C)c1nccs1 ZINC000192106777 337302946 /nfs/dbraw/zinc/30/29/46/337302946.db2.gz KHJHKFRKGNFQAG-UHFFFAOYSA-N 2 2 312.442 3.662 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000192154797 337303410 /nfs/dbraw/zinc/30/34/10/337303410.db2.gz UFMYJTTWGQWYLG-HNNXBMFYSA-N 2 2 307.397 3.737 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1F ZINC000398005946 337303562 /nfs/dbraw/zinc/30/35/62/337303562.db2.gz GWMZGKJMBSAUBY-OXJNMPFZSA-N 2 2 312.432 3.826 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1F ZINC000398005946 337303563 /nfs/dbraw/zinc/30/35/63/337303563.db2.gz GWMZGKJMBSAUBY-OXJNMPFZSA-N 2 2 312.432 3.826 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000398111419 337306196 /nfs/dbraw/zinc/30/61/96/337306196.db2.gz DGTVLTHVIWPDTD-YOEHRIQHSA-N 2 2 318.848 3.933 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000398111419 337306197 /nfs/dbraw/zinc/30/61/97/337306197.db2.gz DGTVLTHVIWPDTD-YOEHRIQHSA-N 2 2 318.848 3.933 20 0 DHADLP [NH3+]C1(C[NH2+]Cc2cnc(C3CCCCC3)s2)CCCCC1 ZINC000584398042 337318138 /nfs/dbraw/zinc/31/81/38/337318138.db2.gz NFRDLMUXCTZEIG-UHFFFAOYSA-N 2 2 307.507 3.942 20 0 DHADLP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000127909270 337423079 /nfs/dbraw/zinc/42/30/79/337423079.db2.gz DNMXMWCRCJZRLU-VQIMIIECSA-N 2 2 301.478 3.604 20 0 DHADLP CCCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162251811 337610584 /nfs/dbraw/zinc/61/05/84/337610584.db2.gz OGOQCIAMQAQKBO-FXAWDEMLSA-N 2 2 315.505 3.995 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccncc1Cl ZINC000421819885 337648631 /nfs/dbraw/zinc/64/86/31/337648631.db2.gz JMGAZLWDWHTOPM-KFWWJZLASA-N 2 2 309.885 3.754 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000572452810 337660711 /nfs/dbraw/zinc/66/07/11/337660711.db2.gz GEYBBPQCEHBYOL-DFGXFYAUSA-N 2 2 304.478 3.661 20 0 DHADLP COc1ccc(-c2csc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422816549 337687933 /nfs/dbraw/zinc/68/79/33/337687933.db2.gz ARKLEQJJYPSBQX-UGSOOPFHSA-N 2 2 316.470 3.654 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422876493 337689698 /nfs/dbraw/zinc/68/96/98/337689698.db2.gz QDHVNRQEIFGDQW-HOTGVXAUSA-N 2 2 318.367 3.831 20 0 DHADLP CC(C)(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422927085 337691745 /nfs/dbraw/zinc/69/17/45/337691745.db2.gz YFTUPVZFGYSGEJ-KGLIPLIRSA-N 2 2 300.368 3.744 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(F)c(Cl)cc2F)c2ccccc21 ZINC000423085119 337698719 /nfs/dbraw/zinc/69/87/19/337698719.db2.gz JOBLZYUZYDIXLY-HOTGVXAUSA-N 2 2 308.759 3.853 20 0 DHADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423091480 337698983 /nfs/dbraw/zinc/69/89/83/337698983.db2.gz XEIOYJAUSQNRFX-NWANDNLSSA-N 2 2 300.368 3.719 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc2cc(Br)ccc2o1 ZINC000423184843 337702830 /nfs/dbraw/zinc/70/28/30/337702830.db2.gz IVDNYBQNGIEEOX-ZWNOBZJWSA-N 2 2 323.234 3.598 20 0 DHADLP Clc1ccccc1C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000423215110 337704710 /nfs/dbraw/zinc/70/47/10/337704710.db2.gz NJCKWUHLLZDIDP-GDBMZVCRSA-N 2 2 306.862 3.637 20 0 DHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423237630 337706480 /nfs/dbraw/zinc/70/64/80/337706480.db2.gz QDHWWSGEDIVRTF-IAQYHMDHSA-N 2 2 319.449 3.660 20 0 DHADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423241340 337706871 /nfs/dbraw/zinc/70/68/71/337706871.db2.gz LJVFQGVFGOFICJ-WOJBJXKFSA-N 2 2 312.457 3.517 20 0 DHADLP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000423269096 337708308 /nfs/dbraw/zinc/70/83/08/337708308.db2.gz GMXURNFZCZXDOU-HRAATJIYSA-N 2 2 319.452 3.769 20 0 DHADLP Cc1c([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cnn1C(C)(C)C ZINC000423275050 337708863 /nfs/dbraw/zinc/70/88/63/337708863.db2.gz LJNRGKFWEDDMAT-OAHLLOKOSA-N 2 2 320.525 3.910 20 0 DHADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1OCc1ccccc1 ZINC000423329565 337712287 /nfs/dbraw/zinc/71/22/87/337712287.db2.gz SZSZZZQTPMXHFW-HNAYVOBHSA-N 2 2 310.441 3.654 20 0 DHADLP C[C@@H]([NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000423443446 337719562 /nfs/dbraw/zinc/71/95/62/337719562.db2.gz KMKTUVXMQNXOAA-XWCIJXRUSA-N 2 2 306.812 3.894 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCC(CSC)CC1 ZINC000423497182 337722913 /nfs/dbraw/zinc/72/29/13/337722913.db2.gz GELAYVZRAYCOPR-JFUPDXTOSA-N 2 2 306.519 3.760 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423533758 337724658 /nfs/dbraw/zinc/72/46/58/337724658.db2.gz UIVZDHGSFTVGIX-ZOCIIQOWSA-N 2 2 312.482 3.815 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H](c3ccccn3)C3CCC3)c[nH+]c12 ZINC000527769740 337762397 /nfs/dbraw/zinc/76/23/97/337762397.db2.gz BFCPWDGRBHSWRM-GOSISDBHSA-N 2 2 306.413 3.669 20 0 DHADLP CC[C@@H](C[NH2+][C@H](c1ccc(OC)cc1)C1CC1)[NH+]1CCCC1 ZINC000536948274 337857709 /nfs/dbraw/zinc/85/77/09/337857709.db2.gz MOIMEDCZWRJPAC-HKUYNNGSSA-N 2 2 302.462 3.610 20 0 DHADLP CCCC1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCC1 ZINC000119800048 337866045 /nfs/dbraw/zinc/86/60/45/337866045.db2.gz IRJJTXAXKYWDMY-UHFFFAOYSA-N 2 2 322.416 3.593 20 0 DHADLP C[C@@H](C[NH2+]Cc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000057994050 337866453 /nfs/dbraw/zinc/86/64/53/337866453.db2.gz YNRJGQKIOOUZLH-LBPRGKRZSA-N 2 2 301.261 3.815 20 0 DHADLP CC(C)CCn1cccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092659340 337907011 /nfs/dbraw/zinc/90/70/11/337907011.db2.gz ZSNLRESALISOQM-UHFFFAOYSA-N 2 2 300.450 3.568 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1nc2c(s1)CCCC2 ZINC000093370404 337915742 /nfs/dbraw/zinc/91/57/42/337915742.db2.gz NLOOKMWASHVDDM-OAHLLOKOSA-N 2 2 321.534 3.795 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093372614 337915738 /nfs/dbraw/zinc/91/57/38/337915738.db2.gz QWPUNOQTSUHLRZ-AWEZNQCLSA-N 2 2 321.534 3.793 20 0 DHADLP CCCOc1cccc2c(N[C@@H](C)Cn3cc[nH+]c3)cc[nH+]c12 ZINC000515445479 337989205 /nfs/dbraw/zinc/98/92/05/337989205.db2.gz QFRUFWRJMOYFOU-AWEZNQCLSA-N 2 2 310.401 3.721 20 0 DHADLP COc1cccc2c1cc[nH+]c2NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000515771591 337997516 /nfs/dbraw/zinc/99/75/16/337997516.db2.gz ABVCPYSRDKSUDJ-AWEZNQCLSA-N 2 2 322.412 3.738 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c[nH+]1 ZINC000428270828 338045061 /nfs/dbraw/zinc/04/50/61/338045061.db2.gz WFEYTMLXEHAHRM-IEBWSBKVSA-N 3 2 315.505 3.565 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c[nH+]1 ZINC000428270828 338045062 /nfs/dbraw/zinc/04/50/62/338045062.db2.gz WFEYTMLXEHAHRM-IEBWSBKVSA-N 3 2 315.505 3.565 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc(F)cc1Cl ZINC000428278014 338045322 /nfs/dbraw/zinc/04/53/22/338045322.db2.gz BXIQSHMFEIMOMG-CVEARBPZSA-N 2 2 310.844 3.580 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc(F)cc1Cl ZINC000428278014 338045323 /nfs/dbraw/zinc/04/53/23/338045323.db2.gz BXIQSHMFEIMOMG-CVEARBPZSA-N 2 2 310.844 3.580 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(F)cc1Cl ZINC000428278014 338045324 /nfs/dbraw/zinc/04/53/24/338045324.db2.gz BXIQSHMFEIMOMG-CVEARBPZSA-N 2 2 310.844 3.580 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(F)cc1Cl ZINC000428278014 338045325 /nfs/dbraw/zinc/04/53/25/338045325.db2.gz BXIQSHMFEIMOMG-CVEARBPZSA-N 2 2 310.844 3.580 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)o1 ZINC000428441754 338051653 /nfs/dbraw/zinc/05/16/53/338051653.db2.gz QVZHZFNRYHBCMF-SJORKVTESA-N 2 2 321.509 3.926 20 0 DHADLP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]c2ccsc21 ZINC000428652925 338057834 /nfs/dbraw/zinc/05/78/34/338057834.db2.gz PLTCWXLBXLXPFQ-UHFFFAOYSA-N 2 2 314.458 3.972 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428855815 338062579 /nfs/dbraw/zinc/06/25/79/338062579.db2.gz IHCFIVOLJHHSOT-CYBMUJFWSA-N 2 2 321.465 3.790 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428855815 338062580 /nfs/dbraw/zinc/06/25/80/338062580.db2.gz IHCFIVOLJHHSOT-CYBMUJFWSA-N 2 2 321.465 3.790 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CCC1 ZINC000429378879 338079193 /nfs/dbraw/zinc/07/91/93/338079193.db2.gz ITAOHWFEUWRNKU-PKOBYXMFSA-N 2 2 316.489 3.761 20 0 DHADLP COC1(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000429515587 338082681 /nfs/dbraw/zinc/08/26/81/338082681.db2.gz NUAYYGJJTNDINM-IEBWSBKVSA-N 2 2 316.489 3.588 20 0 DHADLP COC1(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000429515587 338082682 /nfs/dbraw/zinc/08/26/82/338082682.db2.gz NUAYYGJJTNDINM-IEBWSBKVSA-N 2 2 316.489 3.588 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)CC1 ZINC000429534247 338083268 /nfs/dbraw/zinc/08/32/68/338083268.db2.gz IDITYLHEIZJWBC-LBPRGKRZSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)CC1 ZINC000429534247 338083269 /nfs/dbraw/zinc/08/32/69/338083269.db2.gz IDITYLHEIZJWBC-LBPRGKRZSA-N 2 2 301.261 3.910 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[N@@H+]1C ZINC000430027331 338093834 /nfs/dbraw/zinc/09/38/34/338093834.db2.gz NLGQWWFYRBHNBF-DYVFJYSZSA-N 2 2 322.880 3.701 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[N@H+]1C ZINC000430027331 338093835 /nfs/dbraw/zinc/09/38/35/338093835.db2.gz NLGQWWFYRBHNBF-DYVFJYSZSA-N 2 2 322.880 3.701 20 0 DHADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431174614 338124881 /nfs/dbraw/zinc/12/48/81/338124881.db2.gz FDMOHZMPNCKHMD-ROUUACIJSA-N 2 2 300.377 3.825 20 0 DHADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431174614 338124882 /nfs/dbraw/zinc/12/48/82/338124882.db2.gz FDMOHZMPNCKHMD-ROUUACIJSA-N 2 2 300.377 3.825 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1csc(Cl)c1 ZINC000432409011 338155122 /nfs/dbraw/zinc/15/51/22/338155122.db2.gz DXGPQGAAVNCQEK-STQMWFEESA-N 2 2 316.898 3.553 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1csc(Cl)c1 ZINC000432409011 338155123 /nfs/dbraw/zinc/15/51/23/338155123.db2.gz DXGPQGAAVNCQEK-STQMWFEESA-N 2 2 316.898 3.553 20 0 DHADLP COc1cc(C)[nH+]c(CSCC[N@H+](C)Cc2ccccc2)c1 ZINC000433026830 338176988 /nfs/dbraw/zinc/17/69/88/338176988.db2.gz RECWNOVYLYJLRJ-UHFFFAOYSA-N 2 2 316.470 3.764 20 0 DHADLP COc1cc(C)[nH+]c(CSCC[N@@H+](C)Cc2ccccc2)c1 ZINC000433026830 338176989 /nfs/dbraw/zinc/17/69/89/338176989.db2.gz RECWNOVYLYJLRJ-UHFFFAOYSA-N 2 2 316.470 3.764 20 0 DHADLP COc1cccc(Cl)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000161900482 338219939 /nfs/dbraw/zinc/21/99/39/338219939.db2.gz SVHPQOPCFAZCJD-UHFFFAOYSA-N 2 2 310.869 3.747 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1nccs1 ZINC000153358458 338223114 /nfs/dbraw/zinc/22/31/14/338223114.db2.gz ITUUPYHZPQPTHJ-DZKIICNBSA-N 2 2 307.507 3.837 20 0 DHADLP CC1(C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000434682713 338223357 /nfs/dbraw/zinc/22/33/57/338223357.db2.gz DDOQZARHHIOCLD-UHFFFAOYSA-N 2 2 301.459 3.590 20 0 DHADLP CC1(C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000434682713 338223358 /nfs/dbraw/zinc/22/33/58/338223358.db2.gz DDOQZARHHIOCLD-UHFFFAOYSA-N 2 2 301.459 3.590 20 0 DHADLP C[N@H+](Cc1csc(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435434884 338240046 /nfs/dbraw/zinc/24/00/46/338240046.db2.gz VGJUFEATXBAKOI-MRXNPFEDSA-N 2 2 319.449 3.523 20 0 DHADLP C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435434884 338240047 /nfs/dbraw/zinc/24/00/47/338240047.db2.gz VGJUFEATXBAKOI-MRXNPFEDSA-N 2 2 319.449 3.523 20 0 DHADLP COCCC1(C[NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCCCC1 ZINC000436295486 338267039 /nfs/dbraw/zinc/26/70/39/338267039.db2.gz ZFLSQTSIXFFSLM-ZWKOTPCHSA-N 2 2 310.526 3.683 20 0 DHADLP COCCC1(C[NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCCCC1 ZINC000436295486 338267040 /nfs/dbraw/zinc/26/70/40/338267040.db2.gz ZFLSQTSIXFFSLM-ZWKOTPCHSA-N 2 2 310.526 3.683 20 0 DHADLP Clc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000437623630 338316431 /nfs/dbraw/zinc/31/64/31/338316431.db2.gz HLDRXWDUPARARW-LJQANCHMSA-N 2 2 314.860 3.747 20 0 DHADLP Clc1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000437623630 338316432 /nfs/dbraw/zinc/31/64/32/338316432.db2.gz HLDRXWDUPARARW-LJQANCHMSA-N 2 2 314.860 3.747 20 0 DHADLP Clc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000437623567 338316522 /nfs/dbraw/zinc/31/65/22/338316522.db2.gz HLDRXWDUPARARW-IBGZPJMESA-N 2 2 314.860 3.747 20 0 DHADLP Clc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000437623567 338316523 /nfs/dbraw/zinc/31/65/23/338316523.db2.gz HLDRXWDUPARARW-IBGZPJMESA-N 2 2 314.860 3.747 20 0 DHADLP CC1(c2ccccc2)CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000437636384 338316783 /nfs/dbraw/zinc/31/67/83/338316783.db2.gz NTOIMNYWWAFNPC-HWELCPFYSA-N 2 2 320.480 3.971 20 0 DHADLP CC1(c2ccccc2)CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000437636384 338316784 /nfs/dbraw/zinc/31/67/84/338316784.db2.gz NTOIMNYWWAFNPC-HWELCPFYSA-N 2 2 320.480 3.971 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000437778375 338321078 /nfs/dbraw/zinc/32/10/78/338321078.db2.gz QXYBNJVYSLKFAA-UIAACRFSSA-N 2 2 312.432 3.792 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000437778375 338321079 /nfs/dbraw/zinc/32/10/79/338321079.db2.gz QXYBNJVYSLKFAA-UIAACRFSSA-N 2 2 312.432 3.792 20 0 DHADLP FC(F)C1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000442785103 338431151 /nfs/dbraw/zinc/43/11/51/338431151.db2.gz WRTVRSZLMOZFTN-UHFFFAOYSA-N 2 2 305.372 3.786 20 0 DHADLP CSCC1CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000449060232 338589292 /nfs/dbraw/zinc/58/92/92/338589292.db2.gz RYUUYLFQNITWGR-UHFFFAOYSA-N 2 2 315.486 3.884 20 0 DHADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000449072597 338590858 /nfs/dbraw/zinc/59/08/58/338590858.db2.gz FQKLXSPYDITLRH-HNNXBMFYSA-N 2 2 323.440 3.729 20 0 DHADLP C[C@@H](CC(C)(C)C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000449197957 338601719 /nfs/dbraw/zinc/60/17/19/338601719.db2.gz YWAVAAYOKOHYHR-HNNXBMFYSA-N 2 2 318.509 3.849 20 0 DHADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)Cc1ccoc1)[NH+](C)C ZINC000449268227 338608385 /nfs/dbraw/zinc/60/83/85/338608385.db2.gz FFYIVSQNKPHNMK-FCEWJHQRSA-N 2 2 300.446 3.800 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCc3c(F)cccc32)s1 ZINC000449350275 338616273 /nfs/dbraw/zinc/61/62/73/338616273.db2.gz LVKROCIIMUDPMJ-MRXNPFEDSA-N 2 2 319.449 3.511 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000449349776 338616314 /nfs/dbraw/zinc/61/63/14/338616314.db2.gz HSYOFFIWJIWQDO-CJNGLKHVSA-N 2 2 301.821 3.804 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000449349775 338616318 /nfs/dbraw/zinc/61/63/18/338616318.db2.gz HSYOFFIWJIWQDO-BBRMVZONSA-N 2 2 301.821 3.804 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c2nccn21 ZINC000449571119 338638932 /nfs/dbraw/zinc/63/89/32/338638932.db2.gz KOVGDKFVDVMQRP-FZCLSBEQSA-N 2 2 316.493 3.522 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[C@H](C)C1 ZINC000449768797 338651232 /nfs/dbraw/zinc/65/12/32/338651232.db2.gz TZHHTDFUUYLDEY-LNLFQRSKSA-N 2 2 315.505 3.850 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000451185548 338725038 /nfs/dbraw/zinc/72/50/38/338725038.db2.gz MYSWYOGMLINJAK-LJQANCHMSA-N 2 2 319.408 3.663 20 0 DHADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCC1 ZINC000453061717 338789158 /nfs/dbraw/zinc/78/91/58/338789158.db2.gz LOAJIBJRMAEBPW-IBGZPJMESA-N 2 2 301.478 3.604 20 0 DHADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1=CCCC1 ZINC000453441593 338842427 /nfs/dbraw/zinc/84/24/27/338842427.db2.gz WUKWRUZZSDPARZ-UHFFFAOYSA-N 2 2 313.489 3.772 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)no1 ZINC000459375391 339025571 /nfs/dbraw/zinc/02/55/71/339025571.db2.gz MUEXUJHOGTXTAF-OAHLLOKOSA-N 2 2 313.445 3.647 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)no1 ZINC000459375391 339025572 /nfs/dbraw/zinc/02/55/72/339025572.db2.gz MUEXUJHOGTXTAF-OAHLLOKOSA-N 2 2 313.445 3.647 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459397025 339026928 /nfs/dbraw/zinc/02/69/28/339026928.db2.gz WHXXOWDWAQIIBQ-OAHLLOKOSA-N 2 2 311.420 3.500 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459397025 339026929 /nfs/dbraw/zinc/02/69/29/339026929.db2.gz WHXXOWDWAQIIBQ-OAHLLOKOSA-N 2 2 311.420 3.500 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459667846 339041796 /nfs/dbraw/zinc/04/17/96/339041796.db2.gz SJXHNTGHJJFDHC-LCYFTJDESA-N 2 2 323.362 3.675 20 0 DHADLP CC(C)c1ccc(C[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000460976498 339056530 /nfs/dbraw/zinc/05/65/30/339056530.db2.gz DAEBRAIMUMQLKL-LJQANCHMSA-N 2 2 311.473 3.961 20 0 DHADLP CC(C)c1ccc(C[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000460976498 339056531 /nfs/dbraw/zinc/05/65/31/339056531.db2.gz DAEBRAIMUMQLKL-LJQANCHMSA-N 2 2 311.473 3.961 20 0 DHADLP Cc1ccc(C[C@@H](C)[NH2+]Cc2c[nH+]c3c(C)cccn23)c(C)c1 ZINC000462745176 339086493 /nfs/dbraw/zinc/08/64/93/339086493.db2.gz OEZAKDCCGVGHLA-QGZVFWFLSA-N 2 2 307.441 3.980 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1csc(-c2ccccc2F)n1 ZINC000462892491 339096469 /nfs/dbraw/zinc/09/64/69/339096469.db2.gz JEXNFPCQOJOTML-GFCCVEGCSA-N 2 2 307.438 3.552 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@](C)(F)C1 ZINC000463146968 339107222 /nfs/dbraw/zinc/10/72/22/339107222.db2.gz CRCXWDBRHWUGRO-SFHVURJKSA-N 2 2 303.425 3.949 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@](C)(F)C1 ZINC000463146968 339107223 /nfs/dbraw/zinc/10/72/23/339107223.db2.gz CRCXWDBRHWUGRO-SFHVURJKSA-N 2 2 303.425 3.949 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CCSC1 ZINC000464079040 339133453 /nfs/dbraw/zinc/13/34/53/339133453.db2.gz SZJZBTHLIHLULX-LMMKCTJWSA-N 2 2 318.530 3.596 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466360361 339200653 /nfs/dbraw/zinc/20/06/53/339200653.db2.gz CDCJKZKJILDQMW-NFOMZHRRSA-N 2 2 306.416 3.819 20 0 DHADLP C[C@H]1CCCC[N@H+]1CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466360361 339200654 /nfs/dbraw/zinc/20/06/54/339200654.db2.gz CDCJKZKJILDQMW-NFOMZHRRSA-N 2 2 306.416 3.819 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H](c2ccccc2)C1 ZINC000470353878 339317940 /nfs/dbraw/zinc/31/79/40/339317940.db2.gz KFOMLGQZGDSLOK-KANFNMMFSA-N 2 2 309.457 3.760 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470967242 339333283 /nfs/dbraw/zinc/33/32/83/339333283.db2.gz MQBZGESLKLYIRJ-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470967242 339333284 /nfs/dbraw/zinc/33/32/84/339333284.db2.gz MQBZGESLKLYIRJ-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470967242 339333285 /nfs/dbraw/zinc/33/32/85/339333285.db2.gz MQBZGESLKLYIRJ-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470967242 339333286 /nfs/dbraw/zinc/33/32/86/339333286.db2.gz MQBZGESLKLYIRJ-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000471592841 339348500 /nfs/dbraw/zinc/34/85/00/339348500.db2.gz HISMRELLOSCRKC-AGERRDQYSA-N 2 2 304.478 3.614 20 0 DHADLP Cc1cc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1F ZINC000472074765 339362617 /nfs/dbraw/zinc/36/26/17/339362617.db2.gz OYHPRCAOXRTIRX-BEFAXECRSA-N 2 2 300.421 3.915 20 0 DHADLP Cc1cc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1F ZINC000472074770 339362722 /nfs/dbraw/zinc/36/27/22/339362722.db2.gz OYHPRCAOXRTIRX-KXBFYZLASA-N 2 2 300.421 3.915 20 0 DHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC000482143742 339624519 /nfs/dbraw/zinc/62/45/19/339624519.db2.gz POFQHBTYMANJID-JKSUJKDBSA-N 2 2 321.509 3.962 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC[C@H]2C(C)C)CC1 ZINC000482619863 339637267 /nfs/dbraw/zinc/63/72/67/339637267.db2.gz RPGRZRFTGBWHCC-ROUUACIJSA-N 2 2 310.526 3.680 20 0 DHADLP c1cc(C[NH2+]CCC2CCCCC2)cc(C[NH+]2CCOCC2)c1 ZINC000483250033 339657863 /nfs/dbraw/zinc/65/78/63/339657863.db2.gz ZZEJYXKSMISSBI-UHFFFAOYSA-N 2 2 316.489 3.579 20 0 DHADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000488416847 339780776 /nfs/dbraw/zinc/78/07/76/339780776.db2.gz CVPJDZAJMJMBTJ-BZSNNMDCSA-N 2 2 320.546 3.669 20 0 DHADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488453136 339783320 /nfs/dbraw/zinc/78/33/20/339783320.db2.gz BQQMIBIGVXAQCK-RCCFBDPRSA-N 2 2 320.546 3.669 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488459976 339783843 /nfs/dbraw/zinc/78/38/43/339783843.db2.gz OPTBXGYLXJWCMQ-PBHICJAKSA-N 2 2 317.502 3.855 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)[C@H](C)C2 ZINC000491365295 339859536 /nfs/dbraw/zinc/85/95/36/339859536.db2.gz DEUOZTICZWIEKO-QRWLVFNGSA-N 2 2 305.425 3.708 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000494403614 339948353 /nfs/dbraw/zinc/94/83/53/339948353.db2.gz IEGXUVMWKOIRTI-KRWDZBQOSA-N 2 2 319.408 3.780 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000500241550 340053829 /nfs/dbraw/zinc/05/38/29/340053829.db2.gz JCBATCQXKCGKSF-PBHICJAKSA-N 2 2 308.416 3.817 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000500241550 340053830 /nfs/dbraw/zinc/05/38/30/340053830.db2.gz JCBATCQXKCGKSF-PBHICJAKSA-N 2 2 308.416 3.817 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000500445671 340058952 /nfs/dbraw/zinc/05/89/52/340058952.db2.gz JFKHHUNHTXSSMC-MJGOQNOKSA-N 2 2 306.494 3.546 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000500445671 340058953 /nfs/dbraw/zinc/05/89/53/340058953.db2.gz JFKHHUNHTXSSMC-MJGOQNOKSA-N 2 2 306.494 3.546 20 0 DHADLP C([NH2+][C@H]1CCC12CCC2)C1([NH+]2CCSCC2)CCCCC1 ZINC000502711737 340111881 /nfs/dbraw/zinc/11/18/81/340111881.db2.gz JURYVHOKWIBYTR-INIZCTEOSA-N 2 2 308.535 3.660 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000503049927 340119573 /nfs/dbraw/zinc/11/95/73/340119573.db2.gz BPILOCRJPRRQSP-JKSUJKDBSA-N 2 2 322.880 3.668 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000503049927 340119574 /nfs/dbraw/zinc/11/95/74/340119574.db2.gz BPILOCRJPRRQSP-JKSUJKDBSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000503049927 340119575 /nfs/dbraw/zinc/11/95/75/340119575.db2.gz BPILOCRJPRRQSP-JKSUJKDBSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000503049927 340119576 /nfs/dbraw/zinc/11/95/76/340119576.db2.gz BPILOCRJPRRQSP-JKSUJKDBSA-N 2 2 322.880 3.668 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000507464013 340220794 /nfs/dbraw/zinc/22/07/94/340220794.db2.gz WABSLGLUMRCIMW-UHFFFAOYSA-N 2 2 318.358 3.641 20 0 DHADLP CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507491722 340222672 /nfs/dbraw/zinc/22/26/72/340222672.db2.gz CSJRGOZWRDJYLF-DZGCQCFKSA-N 2 2 306.416 3.962 20 0 DHADLP CC[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)CC(F)(F)F ZINC000402594296 340245227 /nfs/dbraw/zinc/24/52/27/340245227.db2.gz LNJKIMLCTATZNL-ZDUSSCGKSA-N 2 2 315.383 3.619 20 0 DHADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)CC(F)(F)F ZINC000402799257 340265503 /nfs/dbraw/zinc/26/55/03/340265503.db2.gz WWIVKBLXZAGNEC-OFQRWUPVSA-N 2 2 314.395 3.685 20 0 DHADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(F)(F)F ZINC000402799257 340265504 /nfs/dbraw/zinc/26/55/04/340265504.db2.gz WWIVKBLXZAGNEC-OFQRWUPVSA-N 2 2 314.395 3.685 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000509644339 340275340 /nfs/dbraw/zinc/27/53/40/340275340.db2.gz RVQOSZXWEUUBAH-CQSZACIVSA-N 2 2 314.395 3.869 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000509644339 340275341 /nfs/dbraw/zinc/27/53/41/340275341.db2.gz RVQOSZXWEUUBAH-CQSZACIVSA-N 2 2 314.395 3.869 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000303374947 340323916 /nfs/dbraw/zinc/32/39/16/340323916.db2.gz GTMCOWBGARIKFM-APWZRJJASA-N 2 2 310.441 3.620 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000303374947 340323917 /nfs/dbraw/zinc/32/39/17/340323917.db2.gz GTMCOWBGARIKFM-APWZRJJASA-N 2 2 310.441 3.620 20 0 DHADLP C[N@@H+](Cc1cnc(-c2ccccc2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000172584356 340331675 /nfs/dbraw/zinc/33/16/75/340331675.db2.gz LYCRJFZKKXZHER-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP C[N@H+](Cc1cnc(-c2ccccc2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000172584356 340331676 /nfs/dbraw/zinc/33/16/76/340331676.db2.gz LYCRJFZKKXZHER-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](Cc1cnc(-c2ccccc2)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172584356 340331677 /nfs/dbraw/zinc/33/16/77/340331677.db2.gz LYCRJFZKKXZHER-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](Cc1cnc(-c2ccccc2)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172584356 340331678 /nfs/dbraw/zinc/33/16/78/340331678.db2.gz LYCRJFZKKXZHER-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP COc1ccsc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000512179363 340351045 /nfs/dbraw/zinc/35/10/45/340351045.db2.gz LOJDXRYZUHASPB-INIZCTEOSA-N 2 2 322.518 3.701 20 0 DHADLP COc1ccsc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000512179363 340351046 /nfs/dbraw/zinc/35/10/46/340351046.db2.gz LOJDXRYZUHASPB-INIZCTEOSA-N 2 2 322.518 3.701 20 0 DHADLP COc1ccsc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512194957 340351855 /nfs/dbraw/zinc/35/18/55/340351855.db2.gz MKQJQIOPQOCDND-JKSUJKDBSA-N 2 2 322.518 3.843 20 0 DHADLP COc1ccsc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000512194957 340351856 /nfs/dbraw/zinc/35/18/56/340351856.db2.gz MKQJQIOPQOCDND-JKSUJKDBSA-N 2 2 322.518 3.843 20 0 DHADLP COc1ccsc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000512194957 340351857 /nfs/dbraw/zinc/35/18/57/340351857.db2.gz MKQJQIOPQOCDND-JKSUJKDBSA-N 2 2 322.518 3.843 20 0 DHADLP COc1ccsc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000512194957 340351858 /nfs/dbraw/zinc/35/18/58/340351858.db2.gz MKQJQIOPQOCDND-JKSUJKDBSA-N 2 2 322.518 3.843 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000512391214 340360210 /nfs/dbraw/zinc/36/02/10/340360210.db2.gz LEOSSILHVWMPHW-JXFKEZNVSA-N 2 2 324.468 3.935 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000512391214 340360211 /nfs/dbraw/zinc/36/02/11/340360211.db2.gz LEOSSILHVWMPHW-JXFKEZNVSA-N 2 2 324.468 3.935 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000512391215 340360250 /nfs/dbraw/zinc/36/02/50/340360250.db2.gz LEOSSILHVWMPHW-OXJNMPFZSA-N 2 2 324.468 3.935 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000512391215 340360251 /nfs/dbraw/zinc/36/02/51/340360251.db2.gz LEOSSILHVWMPHW-OXJNMPFZSA-N 2 2 324.468 3.935 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+]C[C@@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000512567950 340367272 /nfs/dbraw/zinc/36/72/72/340367272.db2.gz DQPGZLABOJAKED-MAUKXSAKSA-N 2 2 324.896 3.739 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+]C[C@@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000512567950 340367273 /nfs/dbraw/zinc/36/72/73/340367273.db2.gz DQPGZLABOJAKED-MAUKXSAKSA-N 2 2 324.896 3.739 20 0 DHADLP Clc1ccc2[nH+]ccc(NCc3cn4ccccc4[nH+]3)c2c1 ZINC000513635242 340416245 /nfs/dbraw/zinc/41/62/45/340416245.db2.gz KYWFSFIJPNNAIN-UHFFFAOYSA-N 2 2 308.772 3.570 20 0 DHADLP COCCC[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000178455356 340449650 /nfs/dbraw/zinc/44/96/50/340449650.db2.gz ZZOKAOMTQHNCPJ-UYAOXDASSA-N 2 2 318.505 3.864 20 0 DHADLP COc1cccc([C@@H](C[NH2+]C[C@H]2CC=CCC2)[NH+]2CCCC2)c1 ZINC000237285893 340669757 /nfs/dbraw/zinc/66/97/57/340669757.db2.gz RPDVBJJYAZUPOL-FXAWDEMLSA-N 2 2 314.473 3.778 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2csc(Br)c2)c2ccccc21 ZINC000397365395 340711649 /nfs/dbraw/zinc/71/16/49/340711649.db2.gz NIPFCRXQEWUBTO-QWHCGFSZSA-N 2 2 323.259 3.745 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2csc(Br)c2)c2ccccc21 ZINC000397365401 340711663 /nfs/dbraw/zinc/71/16/63/340711663.db2.gz NIPFCRXQEWUBTO-STQMWFEESA-N 2 2 323.259 3.745 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1OC(F)F ZINC000530225880 340783134 /nfs/dbraw/zinc/78/31/34/340783134.db2.gz XYHCRWSTYMIPAA-HIFRSBDPSA-N 2 2 310.388 3.613 20 0 DHADLP COc1ccc2ccccc2c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127700004 340855235 /nfs/dbraw/zinc/85/52/35/340855235.db2.gz DNWLSCKGLPXYOM-UHFFFAOYSA-N 2 2 324.468 3.909 20 0 DHADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000539201204 340876078 /nfs/dbraw/zinc/87/60/78/340876078.db2.gz RCPKKXIPARNCLD-INIZCTEOSA-N 2 2 316.493 3.736 20 0 DHADLP CC(C)(C)OCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000539624963 340893342 /nfs/dbraw/zinc/89/33/42/340893342.db2.gz DVKYRNVWCZJHAL-UHFFFAOYSA-N 2 2 324.896 3.709 20 0 DHADLP C[C@@H](C[NH2+][C@H](c1cccs1)C1CCCC1)C[NH+]1CCOCC1 ZINC000540084739 340914701 /nfs/dbraw/zinc/91/47/01/340914701.db2.gz DKJOPGMSIDVEAV-YJBOKZPZSA-N 2 2 322.518 3.537 20 0 DHADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000129244270 340952002 /nfs/dbraw/zinc/95/20/02/340952002.db2.gz WRZATLIWKAIEQD-QWHCGFSZSA-N 2 2 311.351 3.588 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000129244926 340952063 /nfs/dbraw/zinc/95/20/63/340952063.db2.gz WRZATLIWKAIEQD-OLZOCXBDSA-N 2 2 311.351 3.588 20 0 DHADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130707814 341039781 /nfs/dbraw/zinc/03/97/81/341039781.db2.gz MAMGUVMCEPRQBG-ORAYPTAESA-N 2 2 309.388 3.539 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C2CCCCCC2)CC1 ZINC000543405654 341042495 /nfs/dbraw/zinc/04/24/95/341042495.db2.gz UKNJBABYFYFXDP-MRXNPFEDSA-N 2 2 310.526 3.824 20 0 DHADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]2CCCC[C@H]21 ZINC000544372302 341078754 /nfs/dbraw/zinc/07/87/54/341078754.db2.gz YZJHFVBVMDVLLG-XOKHGSTOSA-N 2 2 301.459 3.944 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]2CCCC[C@H]21 ZINC000544372302 341078755 /nfs/dbraw/zinc/07/87/55/341078755.db2.gz YZJHFVBVMDVLLG-XOKHGSTOSA-N 2 2 301.459 3.944 20 0 DHADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000544407034 341080657 /nfs/dbraw/zinc/08/06/57/341080657.db2.gz CJSABYAQLYLIPK-AZUAARDMSA-N 2 2 300.490 3.816 20 0 DHADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000544407034 341080658 /nfs/dbraw/zinc/08/06/58/341080658.db2.gz CJSABYAQLYLIPK-AZUAARDMSA-N 2 2 300.490 3.816 20 0 DHADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000544461541 341083289 /nfs/dbraw/zinc/08/32/89/341083289.db2.gz MEMRBTKARYCXFQ-RDJZCZTQSA-N 2 2 313.445 3.867 20 0 DHADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000544461541 341083290 /nfs/dbraw/zinc/08/32/90/341083290.db2.gz MEMRBTKARYCXFQ-RDJZCZTQSA-N 2 2 313.445 3.867 20 0 DHADLP CCC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccnc1 ZINC000544569001 341086207 /nfs/dbraw/zinc/08/62/07/341086207.db2.gz NHRCKTHRIFAKAQ-LJQANCHMSA-N 2 2 306.413 3.898 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000544831136 341095316 /nfs/dbraw/zinc/09/53/16/341095316.db2.gz VXUXUHCICPIMRF-CVEARBPZSA-N 2 2 314.395 3.624 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000544831136 341095317 /nfs/dbraw/zinc/09/53/17/341095317.db2.gz VXUXUHCICPIMRF-CVEARBPZSA-N 2 2 314.395 3.624 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000132173371 341117760 /nfs/dbraw/zinc/11/77/60/341117760.db2.gz XDTMRSDQGDQJAX-LLVKDONJSA-N 2 2 318.383 3.666 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000132173161 341117772 /nfs/dbraw/zinc/11/77/72/341117772.db2.gz XDTMRSDQGDQJAX-NSHDSACASA-N 2 2 318.383 3.666 20 0 DHADLP Clc1cccc2c1CC[C@@H]2[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000132434551 341123083 /nfs/dbraw/zinc/12/30/83/341123083.db2.gz PADFLMIQLXVANM-SFHVURJKSA-N 2 2 304.865 3.888 20 0 DHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322142 341143702 /nfs/dbraw/zinc/14/37/02/341143702.db2.gz HGRHDLVIISXTCW-UHFFFAOYSA-N 2 2 312.432 3.922 20 0 DHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322142 341143703 /nfs/dbraw/zinc/14/37/03/341143703.db2.gz HGRHDLVIISXTCW-UHFFFAOYSA-N 2 2 312.432 3.922 20 0 DHADLP Cc1cc(C)c([C@H](C)[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c(C)c1 ZINC000546102481 341153948 /nfs/dbraw/zinc/15/39/48/341153948.db2.gz AHILLVMPIMMDLR-KRWDZBQOSA-N 2 2 324.472 3.593 20 0 DHADLP Cc1cc(C)c([C@@H](C)[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c(C)c1 ZINC000546102482 341154069 /nfs/dbraw/zinc/15/40/69/341154069.db2.gz AHILLVMPIMMDLR-QGZVFWFLSA-N 2 2 324.472 3.593 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000546690003 341178959 /nfs/dbraw/zinc/17/89/59/341178959.db2.gz HQDAULDHSURTJK-KGLIPLIRSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000546690003 341178960 /nfs/dbraw/zinc/17/89/60/341178960.db2.gz HQDAULDHSURTJK-KGLIPLIRSA-N 2 2 314.395 3.568 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000546873247 341184626 /nfs/dbraw/zinc/18/46/26/341184626.db2.gz RMQKBTDTKBXHQZ-IMJJTQAJSA-N 2 2 314.395 3.970 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000546873247 341184627 /nfs/dbraw/zinc/18/46/27/341184627.db2.gz RMQKBTDTKBXHQZ-IMJJTQAJSA-N 2 2 314.395 3.970 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000547519478 341219978 /nfs/dbraw/zinc/21/99/78/341219978.db2.gz OMNOVPWKZCRGGT-GXTWGEPZSA-N 2 2 323.362 3.989 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000547519478 341219979 /nfs/dbraw/zinc/21/99/79/341219979.db2.gz OMNOVPWKZCRGGT-GXTWGEPZSA-N 2 2 323.362 3.989 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000548635015 341268144 /nfs/dbraw/zinc/26/81/44/341268144.db2.gz FILIBVJILRFXKF-HOCLYGCPSA-N 2 2 301.821 3.519 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000548860006 341278528 /nfs/dbraw/zinc/27/85/28/341278528.db2.gz HLLXVMBNFQLZBX-ZFWWWQNUSA-N 2 2 314.395 3.685 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000548860006 341278529 /nfs/dbraw/zinc/27/85/29/341278529.db2.gz HLLXVMBNFQLZBX-ZFWWWQNUSA-N 2 2 314.395 3.685 20 0 DHADLP CC1(C)SC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000549233406 341289199 /nfs/dbraw/zinc/28/91/99/341289199.db2.gz WNTALWYRLARAED-INIZCTEOSA-N 2 2 324.921 3.788 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550237853 341313187 /nfs/dbraw/zinc/31/31/87/341313187.db2.gz AODHWWPVSOUEAA-QZTJIDSGSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550237853 341313188 /nfs/dbraw/zinc/31/31/88/341313188.db2.gz AODHWWPVSOUEAA-QZTJIDSGSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550237853 341313189 /nfs/dbraw/zinc/31/31/89/341313189.db2.gz AODHWWPVSOUEAA-QZTJIDSGSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550237853 341313190 /nfs/dbraw/zinc/31/31/90/341313190.db2.gz AODHWWPVSOUEAA-QZTJIDSGSA-N 2 2 308.416 3.834 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@]2(C)CCCO2)[NH+]2CCCC2)cc1 ZINC000551030651 341329610 /nfs/dbraw/zinc/32/96/10/341329610.db2.gz YGXCRUZKVXRPBJ-YSIASYRMSA-N 2 2 316.489 3.679 20 0 DHADLP CCC1CC([NH2+]C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000551534737 341344453 /nfs/dbraw/zinc/34/44/53/341344453.db2.gz UDEPJXVAKLKXAX-GXOAENINSA-N 2 2 302.462 3.610 20 0 DHADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000551534830 341344537 /nfs/dbraw/zinc/34/45/37/341344537.db2.gz RGKGFGSFFXFRGC-SMMRIJLZSA-N 2 2 316.489 3.651 20 0 DHADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000551534830 341344538 /nfs/dbraw/zinc/34/45/38/341344538.db2.gz RGKGFGSFFXFRGC-SMMRIJLZSA-N 2 2 316.489 3.651 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cccc(F)c2)CC1 ZINC000551776091 341350933 /nfs/dbraw/zinc/35/09/33/341350933.db2.gz VQSOARRRMSKTPR-UHFFFAOYSA-N 2 2 312.432 3.922 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cccc(F)c2)CC1 ZINC000551776091 341350934 /nfs/dbraw/zinc/35/09/34/341350934.db2.gz VQSOARRRMSKTPR-UHFFFAOYSA-N 2 2 312.432 3.922 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000551791993 341351808 /nfs/dbraw/zinc/35/18/08/341351808.db2.gz XQGUEGFUBVZHPE-XAMWDVODSA-N 2 2 316.489 3.651 20 0 DHADLP Cc1ccc(C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CC2)cc1 ZINC000551816955 341352983 /nfs/dbraw/zinc/35/29/83/341352983.db2.gz GFTJAUQHMJSBFO-IBGZPJMESA-N 2 2 309.457 3.639 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246529365 341353161 /nfs/dbraw/zinc/35/31/61/341353161.db2.gz JHOATPSWXXKUST-WTANOLMUSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246529365 341353162 /nfs/dbraw/zinc/35/31/62/341353162.db2.gz JHOATPSWXXKUST-WTANOLMUSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246529365 341353163 /nfs/dbraw/zinc/35/31/63/341353163.db2.gz JHOATPSWXXKUST-WTANOLMUSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246529365 341353164 /nfs/dbraw/zinc/35/31/64/341353164.db2.gz JHOATPSWXXKUST-WTANOLMUSA-N 2 2 320.427 3.975 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000551898329 341354516 /nfs/dbraw/zinc/35/45/16/341354516.db2.gz AFIKJRYCQZPDBS-UHFFFAOYSA-N 2 2 324.428 3.677 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000551898329 341354517 /nfs/dbraw/zinc/35/45/17/341354517.db2.gz AFIKJRYCQZPDBS-UHFFFAOYSA-N 2 2 324.428 3.677 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247341370 341363750 /nfs/dbraw/zinc/36/37/50/341363750.db2.gz GRZKVZPGXBVMNH-CZUORRHYSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247341370 341363751 /nfs/dbraw/zinc/36/37/51/341363751.db2.gz GRZKVZPGXBVMNH-CZUORRHYSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1csc(Cl)c1 ZINC000248683683 341384222 /nfs/dbraw/zinc/38/42/22/341384222.db2.gz FKPZLIUZUCTKMR-JHJVBQTASA-N 2 2 316.898 3.551 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccco3)s2)[C@@H](C)C1 ZINC000248731053 341385310 /nfs/dbraw/zinc/38/53/10/341385310.db2.gz LEADFTUQNFNREU-ZFWWWQNUSA-N 2 2 319.474 3.565 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccco3)s2)[C@@H](C)C1 ZINC000248731053 341385311 /nfs/dbraw/zinc/38/53/11/341385311.db2.gz LEADFTUQNFNREU-ZFWWWQNUSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)[C@@H](C)C1 ZINC000248731053 341385312 /nfs/dbraw/zinc/38/53/12/341385312.db2.gz LEADFTUQNFNREU-ZFWWWQNUSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)[C@@H](C)C1 ZINC000248731053 341385313 /nfs/dbraw/zinc/38/53/13/341385313.db2.gz LEADFTUQNFNREU-ZFWWWQNUSA-N 2 2 319.474 3.565 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2Cl)[C@@H](C)C1 ZINC000248901570 341389833 /nfs/dbraw/zinc/38/98/33/341389833.db2.gz VKJHBKRCBZUQFG-GUYCJALGSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)ccc2Cl)[C@@H](C)C1 ZINC000248901570 341389834 /nfs/dbraw/zinc/38/98/34/341389834.db2.gz VKJHBKRCBZUQFG-GUYCJALGSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)ccc2Cl)[C@@H](C)C1 ZINC000248901570 341389835 /nfs/dbraw/zinc/38/98/35/341389835.db2.gz VKJHBKRCBZUQFG-GUYCJALGSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)ccc2Cl)[C@@H](C)C1 ZINC000248901570 341389836 /nfs/dbraw/zinc/38/98/36/341389836.db2.gz VKJHBKRCBZUQFG-GUYCJALGSA-N 2 2 310.869 3.511 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000249135192 341394472 /nfs/dbraw/zinc/39/44/72/341394472.db2.gz NHNLCDWCQGDZNL-XNRPHZJLSA-N 2 2 312.379 3.547 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)C[N@H+]1C1CC1 ZINC000249135192 341394473 /nfs/dbraw/zinc/39/44/73/341394473.db2.gz NHNLCDWCQGDZNL-XNRPHZJLSA-N 2 2 312.379 3.547 20 0 DHADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000089693498 341407207 /nfs/dbraw/zinc/40/72/07/341407207.db2.gz VABANFJSHFWYQS-OAHLLOKOSA-N 2 2 310.228 3.857 20 0 DHADLP Fc1ccccc1[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCCC1 ZINC000091261957 341423827 /nfs/dbraw/zinc/42/38/27/341423827.db2.gz PHZXKDFWXBXEEK-SFHVURJKSA-N 2 2 301.409 3.933 20 0 DHADLP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000554371583 341451733 /nfs/dbraw/zinc/45/17/33/341451733.db2.gz RWSMTJOHDGBCKT-QGZVFWFLSA-N 2 2 304.478 3.504 20 0 DHADLP CC(C)C[C@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)[NH+](C)C ZINC000554858439 341466896 /nfs/dbraw/zinc/46/68/96/341466896.db2.gz OEYHZMUYCMTVIO-IUPXNIOVSA-N 2 2 310.432 3.777 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000554859726 341466946 /nfs/dbraw/zinc/46/69/46/341466946.db2.gz SDVRLDNPPVQCTF-YRNRMSPPSA-N 2 2 310.441 3.865 20 0 DHADLP COC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(Cl)c1 ZINC000566821449 341569105 /nfs/dbraw/zinc/56/91/05/341569105.db2.gz REXWFWGHTCJUGG-GOSISDBHSA-N 2 2 324.896 3.738 20 0 DHADLP Cc1cc(NCc2ccccc2C[NH+]2CCCC2)nc(C2CC2)[nH+]1 ZINC000171808233 341785854 /nfs/dbraw/zinc/78/58/54/341785854.db2.gz RAHKJCIYUBGDFJ-UHFFFAOYSA-N 2 2 322.456 3.870 20 0 DHADLP C[C@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C1CCCCC1 ZINC000576508932 341849827 /nfs/dbraw/zinc/84/98/27/341849827.db2.gz LGWRWIWZEAAYTO-ZDUSSCGKSA-N 2 2 322.416 3.591 20 0 DHADLP CC(C)[N@H+](Cc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267390858 519654655 /nfs/dbraw/zinc/65/46/55/519654655.db2.gz ONSAWOBFAVBQMS-UHFFFAOYSA-N 2 2 324.403 3.817 20 0 DHADLP CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267390858 519654657 /nfs/dbraw/zinc/65/46/57/519654657.db2.gz ONSAWOBFAVBQMS-UHFFFAOYSA-N 2 2 324.403 3.817 20 0 DHADLP CC(C)n1cc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000162763651 519973429 /nfs/dbraw/zinc/97/34/29/519973429.db2.gz WLENVAQZQHKYLS-QGZVFWFLSA-N 2 2 314.477 3.637 20 0 DHADLP CC(C)n1cc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000162763651 519973435 /nfs/dbraw/zinc/97/34/35/519973435.db2.gz WLENVAQZQHKYLS-QGZVFWFLSA-N 2 2 314.477 3.637 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000156603237 521658842 /nfs/dbraw/zinc/65/88/42/521658842.db2.gz FNBBPEYZRUREJP-JXFKEZNVSA-N 2 2 309.457 3.884 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000156603237 521658844 /nfs/dbraw/zinc/65/88/44/521658844.db2.gz FNBBPEYZRUREJP-JXFKEZNVSA-N 2 2 309.457 3.884 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(F)cc1F ZINC000191485217 521662188 /nfs/dbraw/zinc/66/21/88/521662188.db2.gz KLXMHNZUHCVUNO-UHFFFAOYSA-N 2 2 307.388 3.636 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(F)cc1F ZINC000191485217 521662190 /nfs/dbraw/zinc/66/21/90/521662190.db2.gz KLXMHNZUHCVUNO-UHFFFAOYSA-N 2 2 307.388 3.636 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000339416433 522312474 /nfs/dbraw/zinc/31/24/74/522312474.db2.gz FQCANQFHHRGWNQ-UHFFFAOYSA-N 2 2 305.372 3.549 20 0 DHADLP COCC1(CC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000339444303 522867183 /nfs/dbraw/zinc/86/71/83/522867183.db2.gz GZHBXSHLKRHLGD-HKUYNNGSSA-N 2 2 316.489 3.618 20 0 DHADLP COCC1(CC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000339444303 522867191 /nfs/dbraw/zinc/86/71/91/522867191.db2.gz GZHBXSHLKRHLGD-HKUYNNGSSA-N 2 2 316.489 3.618 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227054492 522930833 /nfs/dbraw/zinc/93/08/33/522930833.db2.gz CIKGSJGJVUJADH-NILFDRSVSA-N 2 2 311.267 3.569 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227054492 522930843 /nfs/dbraw/zinc/93/08/43/522930843.db2.gz CIKGSJGJVUJADH-NILFDRSVSA-N 2 2 311.267 3.569 20 0 DHADLP C[NH+]1CCC([NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000129648119 523777908 /nfs/dbraw/zinc/77/79/08/523777908.db2.gz WBDQSNNVWNXQNO-SFHVURJKSA-N 2 2 314.473 3.897 20 0 DHADLP COc1ccc(C[N@H+](CCCn2cc[nH+]c2)[C@H](C)C2CC2)cc1 ZINC000182699026 524012364 /nfs/dbraw/zinc/01/23/64/524012364.db2.gz UDCRXFFYTOAYBA-MRXNPFEDSA-N 2 2 313.445 3.583 20 0 DHADLP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2)[C@H](C)C2CC2)cc1 ZINC000182699026 524012368 /nfs/dbraw/zinc/01/23/68/524012368.db2.gz UDCRXFFYTOAYBA-MRXNPFEDSA-N 2 2 313.445 3.583 20 0 DHADLP CCc1cccc(C[N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000364284107 524069772 /nfs/dbraw/zinc/06/97/72/524069772.db2.gz RLCPAEWPWAKHHH-UHFFFAOYSA-N 2 2 323.484 3.740 20 0 DHADLP CCc1cccc(C[N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000364284107 524069775 /nfs/dbraw/zinc/06/97/75/524069775.db2.gz RLCPAEWPWAKHHH-UHFFFAOYSA-N 2 2 323.484 3.740 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000337988458 524230513 /nfs/dbraw/zinc/23/05/13/524230513.db2.gz JBRROOBPNOAUHM-ZIAGYGMSSA-N 2 2 319.399 3.650 20 0 DHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000180402813 524252654 /nfs/dbraw/zinc/25/26/54/524252654.db2.gz NXCXKGMFQPFHRP-CYBMUJFWSA-N 2 2 310.869 3.872 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000337338994 524503205 /nfs/dbraw/zinc/50/32/05/524503205.db2.gz OHECXFJSQQJHJX-XSYGEPLQSA-N 2 2 315.505 3.960 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)[N@H+]1CCCC[C@H]1C ZINC000337338994 524503214 /nfs/dbraw/zinc/50/32/14/524503214.db2.gz OHECXFJSQQJHJX-XSYGEPLQSA-N 2 2 315.505 3.960 20 0 DHADLP C[C@@H]1CC[N@H+](CCSC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000337296907 524506046 /nfs/dbraw/zinc/50/60/46/524506046.db2.gz JXDMRCFMHXPOMS-NVXWUHKLSA-N 2 2 307.507 3.832 20 0 DHADLP C[C@@H]1CC[N@@H+](CCSC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000337296907 524506051 /nfs/dbraw/zinc/50/60/51/524506051.db2.gz JXDMRCFMHXPOMS-NVXWUHKLSA-N 2 2 307.507 3.832 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccsc2S1 ZINC000130266345 524803985 /nfs/dbraw/zinc/80/39/85/524803985.db2.gz QLDWCVMIKDKDCF-XHDPSFHLSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)C(C)(C)c1ccccc1 ZINC000363825677 525469472 /nfs/dbraw/zinc/46/94/72/525469472.db2.gz OSBGHHNOMHZGJA-INIZCTEOSA-N 2 2 320.440 3.723 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000126850969 525480268 /nfs/dbraw/zinc/48/02/68/525480268.db2.gz XXJFZYQQABPSMG-CABCVRRESA-N 2 2 304.459 3.904 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000126850969 525480279 /nfs/dbraw/zinc/48/02/79/525480279.db2.gz XXJFZYQQABPSMG-CABCVRRESA-N 2 2 304.459 3.904 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]C[C@H](C)c1cccc(Cl)c1)C2 ZINC000364854504 525925710 /nfs/dbraw/zinc/92/57/10/525925710.db2.gz OAEPSJJTOIZXDU-LRDDRELGSA-N 2 2 303.837 3.553 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337989851 526160718 /nfs/dbraw/zinc/16/07/18/526160718.db2.gz RDLOPOWFQLXFGI-XPGWFJOJSA-N 2 2 313.489 3.775 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000182869588 526175352 /nfs/dbraw/zinc/17/53/52/526175352.db2.gz ZHHZYGCXVIQFJA-ZDUSSCGKSA-N 2 2 300.431 3.576 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182869588 526175359 /nfs/dbraw/zinc/17/53/59/526175359.db2.gz ZHHZYGCXVIQFJA-ZDUSSCGKSA-N 2 2 300.431 3.576 20 0 DHADLP C[C@@H]1CC(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H](C)O1 ZINC000338476995 526225780 /nfs/dbraw/zinc/22/57/80/526225780.db2.gz IDWWJPCKDZQYMS-ZIAGYGMSSA-N 2 2 319.474 3.617 20 0 DHADLP Cc1c[nH+]ccc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163324141 526236783 /nfs/dbraw/zinc/23/67/83/526236783.db2.gz MSEKVKCTZUEDKA-UHFFFAOYSA-N 2 2 323.440 3.631 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]C(C)(C)c3ccc(F)c(F)c3)n2c1 ZINC000157463747 526259058 /nfs/dbraw/zinc/25/90/58/526259058.db2.gz NYOUOBODGSEZJJ-UHFFFAOYSA-N 2 2 315.367 3.946 20 0 DHADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000337985261 526283627 /nfs/dbraw/zinc/28/36/27/526283627.db2.gz FBKXJSYPLBTYPT-WMZOPIPTSA-N 2 2 301.409 3.880 20 0 DHADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000338005747 526284526 /nfs/dbraw/zinc/28/45/26/526284526.db2.gz YORMDKQUYWRUJB-OALUTQOASA-N 2 2 315.436 3.939 20 0 DHADLP FCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2F)CC1 ZINC000367599808 526286475 /nfs/dbraw/zinc/28/64/75/526286475.db2.gz XWMQSDAOZLLZNP-HNAYVOBHSA-N 2 2 322.443 3.908 20 0 DHADLP c1c[nH+]c(C2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)[nH]1 ZINC000266787513 526404488 /nfs/dbraw/zinc/40/44/88/526404488.db2.gz WIQHHMGMKYBGHU-UHFFFAOYSA-N 2 2 316.474 3.903 20 0 DHADLP c1coc(-c2ncc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)s2)c1 ZINC000364852908 526562229 /nfs/dbraw/zinc/56/22/29/526562229.db2.gz RHWOTTGUMBVKQV-UHFFFAOYSA-N 2 2 314.414 3.506 20 0 DHADLP c1coc(-c2ncc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)s2)c1 ZINC000364852908 526562231 /nfs/dbraw/zinc/56/22/31/526562231.db2.gz RHWOTTGUMBVKQV-UHFFFAOYSA-N 2 2 314.414 3.506 20 0 DHADLP Cc1nc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)s1 ZINC000336856651 526856434 /nfs/dbraw/zinc/85/64/34/526856434.db2.gz NKMSWLIQTIFMEV-RHSMWYFYSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)s1 ZINC000336856651 526856441 /nfs/dbraw/zinc/85/64/41/526856441.db2.gz NKMSWLIQTIFMEV-RHSMWYFYSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)s1 ZINC000336856651 526856446 /nfs/dbraw/zinc/85/64/46/526856446.db2.gz NKMSWLIQTIFMEV-RHSMWYFYSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)s1 ZINC000336856651 526856451 /nfs/dbraw/zinc/85/64/51/526856451.db2.gz NKMSWLIQTIFMEV-RHSMWYFYSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(C2CCCC2)n1 ZINC000130530705 527409923 /nfs/dbraw/zinc/40/99/23/527409923.db2.gz HNNDDOGMUPAQRT-UHFFFAOYSA-N 2 2 318.490 3.828 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(C2CCCC2)n1 ZINC000130530705 527409929 /nfs/dbraw/zinc/40/99/29/527409929.db2.gz HNNDDOGMUPAQRT-UHFFFAOYSA-N 2 2 318.490 3.828 20 0 DHADLP Cc1ncsc1CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189905732 527490291 /nfs/dbraw/zinc/49/02/91/527490291.db2.gz XGGTZKBDUQIBCQ-CYBMUJFWSA-N 2 2 312.442 3.531 20 0 DHADLP FC(F)(F)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265512070 527681233 /nfs/dbraw/zinc/68/12/33/527681233.db2.gz RCJZQQPODCCTSN-UHFFFAOYSA-N 2 2 309.335 3.808 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000182217964 527697493 /nfs/dbraw/zinc/69/74/93/527697493.db2.gz KKWFICGNQWAIAY-HNNXBMFYSA-N 2 2 323.412 3.865 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000273167469 535004078 /nfs/dbraw/zinc/00/40/78/535004078.db2.gz LVDFKGYGOUNXQY-LJQANCHMSA-N 2 2 315.436 3.630 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000273167469 535004083 /nfs/dbraw/zinc/00/40/83/535004083.db2.gz LVDFKGYGOUNXQY-LJQANCHMSA-N 2 2 315.436 3.630 20 0 DHADLP CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000297753941 536118170 /nfs/dbraw/zinc/11/81/70/536118170.db2.gz OMIXFSACSXJGMD-HUUCEWRRSA-N 2 2 309.417 3.501 20 0 DHADLP Cc1nc(N(C)CC2CC[NH+](C)CC2)cc(C2CCCCC2)[nH+]1 ZINC001165042107 721936317 /nfs/dbraw/zinc/93/63/17/721936317.db2.gz GAWWDMRKLMJDRA-UHFFFAOYSA-N 2 2 316.493 3.611 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Br ZINC000037649091 1013207290 /nfs/dbraw/zinc/20/72/90/1013207290.db2.gz GUAFDXDOIDINAL-STQMWFEESA-N 2 2 323.278 3.584 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Br ZINC000037649091 1013207293 /nfs/dbraw/zinc/20/72/93/1013207293.db2.gz GUAFDXDOIDINAL-STQMWFEESA-N 2 2 323.278 3.584 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155127773 1013232258 /nfs/dbraw/zinc/23/22/58/1013232258.db2.gz OFDUOCJNYXHYIP-GJZGRUSLSA-N 2 2 301.434 3.727 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000037988323 1013299560 /nfs/dbraw/zinc/29/95/60/1013299560.db2.gz LNKUUBJEFAUKEC-UHFFFAOYSA-N 2 2 318.795 3.515 20 0 DHADLP c1ccc2c(c1)CN(c1cccc(C3CC3)[nH+]1)CC21CC[NH2+]CC1 ZINC001167162923 1013343596 /nfs/dbraw/zinc/34/35/96/1013343596.db2.gz PVNXUTULQRZUCN-UHFFFAOYSA-N 2 2 319.452 3.600 20 0 DHADLP C[NH+](C)c1ccc(NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000237145677 1013348143 /nfs/dbraw/zinc/34/81/43/1013348143.db2.gz KBEZOJGNYDFHPT-UHFFFAOYSA-N 2 2 323.484 3.872 20 0 DHADLP Cc1[nH+]cn(-c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)c1C ZINC000894571331 1013422674 /nfs/dbraw/zinc/42/26/74/1013422674.db2.gz OSKZMKLWDHZHJC-JLYLLQBASA-N 2 2 310.445 3.526 20 0 DHADLP Cc1[nH+]cn(-c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)c1C ZINC000894571331 1013422681 /nfs/dbraw/zinc/42/26/81/1013422681.db2.gz OSKZMKLWDHZHJC-JLYLLQBASA-N 2 2 310.445 3.526 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3csc(C)n3)o2)[C@H](C)C1 ZINC000164415440 1013523346 /nfs/dbraw/zinc/52/33/46/1013523346.db2.gz FXMSOHBCLVWWST-DOMZBBRYSA-N 2 2 319.474 3.531 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3csc(C)n3)o2)[C@H](C)C1 ZINC000164415440 1013523355 /nfs/dbraw/zinc/52/33/55/1013523355.db2.gz FXMSOHBCLVWWST-DOMZBBRYSA-N 2 2 319.474 3.531 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC[C@H]2CCC[NH+]2C)C2CC2)o1 ZINC000340368416 1013525326 /nfs/dbraw/zinc/52/53/26/1013525326.db2.gz FZNUSQQJWAXYNL-IIDMSEBBSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC[C@H]2CCC[NH+]2C)C2CC2)o1 ZINC000340368416 1013525334 /nfs/dbraw/zinc/52/53/34/1013525334.db2.gz FZNUSQQJWAXYNL-IIDMSEBBSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH+](CC[C@H]2CCC[N@@H+]2C)C2CC2)o1 ZINC000340368416 1013525344 /nfs/dbraw/zinc/52/53/44/1013525344.db2.gz FZNUSQQJWAXYNL-IIDMSEBBSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH+](CC[C@H]2CCC[N@H+]2C)C2CC2)o1 ZINC000340368416 1013525351 /nfs/dbraw/zinc/52/53/51/1013525351.db2.gz FZNUSQQJWAXYNL-IIDMSEBBSA-N 2 2 302.462 3.852 20 0 DHADLP CCC(C)(C)C1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655682256 1013635548 /nfs/dbraw/zinc/63/55/48/1013635548.db2.gz CLUDXLUSNJLQCS-TVPLGVNVSA-N 2 2 322.537 3.824 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1 ZINC000655683569 1013640524 /nfs/dbraw/zinc/64/05/24/1013640524.db2.gz HNQXDYRGNSUMNQ-IIBYNOLFSA-N 2 2 324.468 3.744 20 0 DHADLP CC(C)CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C ZINC000655715544 1013659372 /nfs/dbraw/zinc/65/93/72/1013659372.db2.gz LOQBNKMEVMZSSE-ZWKOTPCHSA-N 2 2 310.526 3.680 20 0 DHADLP C[C@H](CCC1CCCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655715143 1013659669 /nfs/dbraw/zinc/65/96/69/1013659669.db2.gz HZPWDQOZCRGRPQ-APWZRJJASA-N 2 2 308.510 3.578 20 0 DHADLP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000655715538 1013660078 /nfs/dbraw/zinc/66/00/78/1013660078.db2.gz LOQBNKMEVMZSSE-MSOLQXFVSA-N 2 2 310.526 3.680 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CS1 ZINC000655717744 1013663208 /nfs/dbraw/zinc/66/32/08/1013663208.db2.gz IKLDJCLAAYLLPE-PVAVHDDUSA-N 2 2 315.486 3.578 20 0 DHADLP CC[C@@H]1C[C@@H](C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000441357400 1013719754 /nfs/dbraw/zinc/71/97/54/1013719754.db2.gz SSHFXNFFDNENSB-RBUKOAKNSA-N 2 2 322.537 3.828 20 0 DHADLP CO[C@H]1CC[N@H+](Cc2ccc(C3CCCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000520407573 1013732700 /nfs/dbraw/zinc/73/27/00/1013732700.db2.gz IOMWAHIORWKGKA-UXHICEINSA-N 2 2 316.489 3.672 20 0 DHADLP CO[C@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000520407573 1013732710 /nfs/dbraw/zinc/73/27/10/1013732710.db2.gz IOMWAHIORWKGKA-UXHICEINSA-N 2 2 316.489 3.672 20 0 DHADLP C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000655837683 1013759935 /nfs/dbraw/zinc/75/99/35/1013759935.db2.gz HFKHBTDXVCFMJY-HZPDHXFCSA-N 2 2 306.413 3.549 20 0 DHADLP C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000655837682 1013760449 /nfs/dbraw/zinc/76/04/49/1013760449.db2.gz HFKHBTDXVCFMJY-HOTGVXAUSA-N 2 2 306.413 3.549 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)cc1 ZINC000655847890 1013774098 /nfs/dbraw/zinc/77/40/98/1013774098.db2.gz FDNDJPDXDYNDDU-FFZOFVMBSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)cc1 ZINC000655847890 1013774105 /nfs/dbraw/zinc/77/41/05/1013774105.db2.gz FDNDJPDXDYNDDU-FFZOFVMBSA-N 2 2 324.472 3.540 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000655850986 1013780747 /nfs/dbraw/zinc/78/07/47/1013780747.db2.gz OLSYAXLDCKCKTE-SNRMKQJTSA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000655850986 1013780753 /nfs/dbraw/zinc/78/07/53/1013780753.db2.gz OLSYAXLDCKCKTE-SNRMKQJTSA-N 2 2 302.462 3.671 20 0 DHADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000655858045 1013787359 /nfs/dbraw/zinc/78/73/59/1013787359.db2.gz WNAWEHNSWFLYSZ-KPLAAQDZSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000655858045 1013787365 /nfs/dbraw/zinc/78/73/65/1013787365.db2.gz WNAWEHNSWFLYSZ-KPLAAQDZSA-N 2 2 306.400 3.585 20 0 DHADLP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683694979 1013867473 /nfs/dbraw/zinc/86/74/73/1013867473.db2.gz WBJXYPNOVDFIDW-BEFAXECRSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683694979 1013867475 /nfs/dbraw/zinc/86/74/75/1013867475.db2.gz WBJXYPNOVDFIDW-BEFAXECRSA-N 2 2 304.453 3.753 20 0 DHADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000639375826 1014201114 /nfs/dbraw/zinc/20/11/14/1014201114.db2.gz GOMPFFIGFZZWKH-UHFFFAOYSA-N 2 2 319.518 3.861 20 0 DHADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnc(C4CCCCC4)s3)C2)C1 ZINC000520560171 1014338963 /nfs/dbraw/zinc/33/89/63/1014338963.db2.gz INDUUXHRFMIMPG-SFHVURJKSA-N 2 2 319.518 3.718 20 0 DHADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnc(C4CCCCC4)s3)C2)C1 ZINC000520560171 1014338971 /nfs/dbraw/zinc/33/89/71/1014338971.db2.gz INDUUXHRFMIMPG-SFHVURJKSA-N 2 2 319.518 3.718 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnc(C4CCCCC4)s3)C2)C1 ZINC000520560171 1014338982 /nfs/dbraw/zinc/33/89/82/1014338982.db2.gz INDUUXHRFMIMPG-SFHVURJKSA-N 2 2 319.518 3.718 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnc(C4CCCCC4)s3)C2)C1 ZINC000520560171 1014338985 /nfs/dbraw/zinc/33/89/85/1014338985.db2.gz INDUUXHRFMIMPG-SFHVURJKSA-N 2 2 319.518 3.718 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)ccc1OC ZINC000427867467 1014544067 /nfs/dbraw/zinc/54/40/67/1014544067.db2.gz BRHBPXYMFZXFBY-DZGCQCFKSA-N 2 2 319.836 3.601 20 0 DHADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427891666 1014549840 /nfs/dbraw/zinc/54/98/40/1014549840.db2.gz LUKFIFNYUTXXNK-QUCCMNQESA-N 2 2 321.399 3.716 20 0 DHADLP CC(C)OC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000130143127 1014553730 /nfs/dbraw/zinc/55/37/30/1014553730.db2.gz FNHURFWWBLBGMG-UHFFFAOYSA-N 2 2 313.445 3.698 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1N(C)C ZINC000665250901 1014560661 /nfs/dbraw/zinc/56/06/61/1014560661.db2.gz BNCPINIUGLCZQR-NSISKUIASA-N 2 2 323.484 3.549 20 0 DHADLP c1ccc(CC[NH+]2CCC(Nc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000029564799 1014560850 /nfs/dbraw/zinc/56/08/50/1014560850.db2.gz RJLNAXGKPVBEDW-UHFFFAOYSA-N 2 2 320.440 3.682 20 0 DHADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252107 1014561581 /nfs/dbraw/zinc/56/15/81/1014561581.db2.gz GZHHXPIZFAOTAM-LSTHTHJFSA-N 2 2 322.452 3.505 20 0 DHADLP Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CCC2 ZINC000665252140 1014563273 /nfs/dbraw/zinc/56/32/73/1014563273.db2.gz IEQJUTJRMCBAHR-HLAWJBBLSA-N 2 2 322.452 3.505 20 0 DHADLP Cc1cc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)ccc1F ZINC000520946843 1014617296 /nfs/dbraw/zinc/61/72/96/1014617296.db2.gz OXUYIZSFONZUGQ-UHFFFAOYSA-N 2 2 322.493 3.585 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116546 1014648113 /nfs/dbraw/zinc/64/81/13/1014648113.db2.gz PJDDYLPOHOFYBJ-CJNGLKHVSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116546 1014648116 /nfs/dbraw/zinc/64/81/16/1014648116.db2.gz PJDDYLPOHOFYBJ-CJNGLKHVSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116546 1014648117 /nfs/dbraw/zinc/64/81/17/1014648117.db2.gz PJDDYLPOHOFYBJ-CJNGLKHVSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116546 1014648120 /nfs/dbraw/zinc/64/81/20/1014648120.db2.gz PJDDYLPOHOFYBJ-CJNGLKHVSA-N 2 2 307.507 3.573 20 0 DHADLP COc1cccc2c1[nH+]cc(C)c2N1CCC([NH2+]C(C)C)CC1 ZINC000276138488 1014713603 /nfs/dbraw/zinc/71/36/03/1014713603.db2.gz CDGPAAONEIRZCM-UHFFFAOYSA-N 2 2 313.445 3.519 20 0 DHADLP C[C@H](CC[NH2+][C@H]1CCc2c1nccc2Cl)[NH+]1CCCCC1 ZINC000926144423 1014780992 /nfs/dbraw/zinc/78/09/92/1014780992.db2.gz PULILXSJOOCDBH-CJNGLKHVSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000353935059 1014881573 /nfs/dbraw/zinc/88/15/73/1014881573.db2.gz ULKJNQAGTQTGRV-FVCCEPFGSA-N 2 2 309.866 3.768 20 0 DHADLP Fc1cccc(Cl)c1CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000276265303 1014902409 /nfs/dbraw/zinc/90/24/09/1014902409.db2.gz BXCYDRLLNVYFQW-UHFFFAOYSA-N 2 2 321.827 3.945 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(F)(F)F)co2)C[C@H]1C ZINC000878163305 1033604973 /nfs/dbraw/zinc/60/49/73/1033604973.db2.gz PSDXEZFXRGJDRF-DGCLKSJQSA-N 2 2 304.356 3.603 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(F)(F)F)co2)C[C@H]1C ZINC000878163305 1033604983 /nfs/dbraw/zinc/60/49/83/1033604983.db2.gz PSDXEZFXRGJDRF-DGCLKSJQSA-N 2 2 304.356 3.603 20 0 DHADLP CC1([NH+]2CCC2)CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000895671726 1015254588 /nfs/dbraw/zinc/25/45/88/1015254588.db2.gz MNBHASDFDQAJLM-UHFFFAOYSA-N 2 2 319.836 3.541 20 0 DHADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000474370796 1015300682 /nfs/dbraw/zinc/30/06/82/1015300682.db2.gz NHMUTAIZZMJKFS-UHFFFAOYSA-N 2 2 306.881 3.866 20 0 DHADLP CC[NH+](CC)Cc1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000341515668 1015424271 /nfs/dbraw/zinc/42/42/71/1015424271.db2.gz XTUUMKXGECGAMV-UHFFFAOYSA-N 2 2 324.472 4.116 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000399068460 1015464713 /nfs/dbraw/zinc/46/47/13/1015464713.db2.gz NCUBITKSGKGTLN-GLQYFDAESA-N 2 2 311.267 3.630 20 0 DHADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595972 1015476077 /nfs/dbraw/zinc/47/60/77/1015476077.db2.gz JAJFSJSHIJKHFN-RWMBFGLXSA-N 2 2 300.899 3.823 20 0 DHADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595972 1015476083 /nfs/dbraw/zinc/47/60/83/1015476083.db2.gz JAJFSJSHIJKHFN-RWMBFGLXSA-N 2 2 300.899 3.823 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000341588050 1015560043 /nfs/dbraw/zinc/56/00/43/1015560043.db2.gz PNOZFCYBAFLGOS-LSDHHAIUSA-N 2 2 300.368 3.754 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000341588050 1015560049 /nfs/dbraw/zinc/56/00/49/1015560049.db2.gz PNOZFCYBAFLGOS-LSDHHAIUSA-N 2 2 300.368 3.754 20 0 DHADLP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCS1 ZINC000361839010 1032121637 /nfs/dbraw/zinc/12/16/37/1032121637.db2.gz WTYJGWSKHANGBA-KRWDZBQOSA-N 2 2 301.459 3.508 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCS1 ZINC000361839010 1032121649 /nfs/dbraw/zinc/12/16/49/1032121649.db2.gz WTYJGWSKHANGBA-KRWDZBQOSA-N 2 2 301.459 3.508 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000361839827 1032122705 /nfs/dbraw/zinc/12/27/05/1032122705.db2.gz MMJDYPSEZXORJQ-GJZGRUSLSA-N 2 2 301.459 3.507 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000361839827 1032122710 /nfs/dbraw/zinc/12/27/10/1032122710.db2.gz MMJDYPSEZXORJQ-GJZGRUSLSA-N 2 2 301.459 3.507 20 0 DHADLP Fc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1C(F)F ZINC000891847228 1015679566 /nfs/dbraw/zinc/67/95/66/1015679566.db2.gz XCDUUBKHMLATEP-UHFFFAOYSA-N 2 2 309.335 3.866 20 0 DHADLP Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)nc(C2CCC2)[nH+]1 ZINC000891913563 1015753014 /nfs/dbraw/zinc/75/30/14/1015753014.db2.gz YVILSICBTKTJCG-UHFFFAOYSA-N 2 2 316.493 3.609 20 0 DHADLP Cc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)nc(C2CCC2)[nH+]1 ZINC000891913563 1015753020 /nfs/dbraw/zinc/75/30/20/1015753020.db2.gz YVILSICBTKTJCG-UHFFFAOYSA-N 2 2 316.493 3.609 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccnc(-c2ccccc2)c1)[C@H]1CCCC[NH2+]1 ZINC000629551064 1015811487 /nfs/dbraw/zinc/81/14/87/1015811487.db2.gz RFDPHADHYRQEJG-RTBURBONSA-N 2 2 309.457 3.759 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(F)ccc1OC ZINC000277145324 1015914269 /nfs/dbraw/zinc/91/42/69/1015914269.db2.gz JJCXXENDDHUOHZ-UHFFFAOYSA-N 2 2 319.424 3.505 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(F)ccc1OC ZINC000277145324 1015914276 /nfs/dbraw/zinc/91/42/76/1015914276.db2.gz JJCXXENDDHUOHZ-UHFFFAOYSA-N 2 2 319.424 3.505 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)c1cc(F)ccc1F ZINC000150976432 1016003122 /nfs/dbraw/zinc/00/31/22/1016003122.db2.gz HSYVMDBVRLPQKF-BBRMVZONSA-N 2 2 305.372 3.525 20 0 DHADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151304150 1016033133 /nfs/dbraw/zinc/03/31/33/1016033133.db2.gz WVTLICJORITXLN-FQEVSTJZSA-N 2 2 321.399 3.848 20 0 DHADLP C[C@@H]([NH2+][C@@H](CCO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361877291 1032139143 /nfs/dbraw/zinc/13/91/43/1032139143.db2.gz LUMWPWKLILUJJO-UZLBHIALSA-N 2 2 321.424 3.647 20 0 DHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCOC(C)(C)C2)CCC1 ZINC000387378325 1016423778 /nfs/dbraw/zinc/42/37/78/1016423778.db2.gz IWEIOIDYKPHHJO-GOSISDBHSA-N 2 2 316.489 3.588 20 0 DHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCOC(C)(C)C2)CCC1 ZINC000387378325 1016423783 /nfs/dbraw/zinc/42/37/83/1016423783.db2.gz IWEIOIDYKPHHJO-GOSISDBHSA-N 2 2 316.489 3.588 20 0 DHADLP CC[C@@H]1C[C@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000387450662 1016449804 /nfs/dbraw/zinc/44/98/04/1016449804.db2.gz QNZNFAFKOFOZON-RTBURBONSA-N 2 2 316.489 3.588 20 0 DHADLP CC[C@@H]1C[C@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000387450662 1016449811 /nfs/dbraw/zinc/44/98/11/1016449811.db2.gz QNZNFAFKOFOZON-RTBURBONSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCn1cc[nH+]c1 ZINC000281349310 1016469094 /nfs/dbraw/zinc/46/90/94/1016469094.db2.gz VGRWUBAOAOLLBR-CYBMUJFWSA-N 2 2 311.351 3.513 20 0 DHADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000281516820 1016549559 /nfs/dbraw/zinc/54/95/59/1016549559.db2.gz HMTXHRNLGOBPTN-ZWKOTPCHSA-N 2 2 324.472 3.903 20 0 DHADLP FC(F)(F)C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000337608051 1016756699 /nfs/dbraw/zinc/75/66/99/1016756699.db2.gz WEFARXIONLWMQX-OAGGEKHMSA-N 2 2 312.379 3.897 20 0 DHADLP FC(F)(F)C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000337608051 1016756708 /nfs/dbraw/zinc/75/67/08/1016756708.db2.gz WEFARXIONLWMQX-OAGGEKHMSA-N 2 2 312.379 3.897 20 0 DHADLP Cc1cccc(CN(CC[NH+](C)C)c2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000347148900 1016758335 /nfs/dbraw/zinc/75/83/35/1016758335.db2.gz XLLDTVBIMGQWCJ-UHFFFAOYSA-N 2 2 324.472 3.539 20 0 DHADLP FC1(F)CCC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000281839242 1016753522 /nfs/dbraw/zinc/75/35/22/1016753522.db2.gz AMQZTYLXDCXDFC-HNNXBMFYSA-N 2 2 305.372 3.787 20 0 DHADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347184649 1016776141 /nfs/dbraw/zinc/77/61/41/1016776141.db2.gz YERXDROUCXVLFR-LBPRGKRZSA-N 2 2 321.877 3.634 20 0 DHADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000347184649 1016776152 /nfs/dbraw/zinc/77/61/52/1016776152.db2.gz YERXDROUCXVLFR-LBPRGKRZSA-N 2 2 321.877 3.634 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000174238421 1016814471 /nfs/dbraw/zinc/81/44/71/1016814471.db2.gz OKGPYMKLWLPQPH-UHFFFAOYSA-N 2 2 321.424 3.739 20 0 DHADLP C[C@H](C[NH+]1CCC(F)(F)C[C@H]1C)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980462 1016850994 /nfs/dbraw/zinc/85/09/94/1016850994.db2.gz ZFGNQFJXWSSRMQ-ZSOGYDGISA-N 2 2 324.406 3.862 20 0 DHADLP C[C@H](C[NH+]1CCC(F)(F)C[C@H]1C)C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980462 1016851015 /nfs/dbraw/zinc/85/10/15/1016851015.db2.gz ZFGNQFJXWSSRMQ-ZSOGYDGISA-N 2 2 324.406 3.862 20 0 DHADLP C[C@@H](C[NH+]1CCC(F)(F)C[C@@H]1C)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000625980462 1016851033 /nfs/dbraw/zinc/85/10/33/1016851033.db2.gz ZFGNQFJXWSSRMQ-ZSOGYDGISA-N 2 2 324.406 3.862 20 0 DHADLP C[C@@H](C[NH+]1CCC(F)(F)C[C@@H]1C)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000625980462 1016851046 /nfs/dbraw/zinc/85/10/46/1016851046.db2.gz ZFGNQFJXWSSRMQ-ZSOGYDGISA-N 2 2 324.406 3.862 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000671295965 1016868456 /nfs/dbraw/zinc/86/84/56/1016868456.db2.gz SGJJWAIVGVJFPZ-UHOFOFEASA-N 2 2 314.395 3.881 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC1(C)C ZINC000623374678 1017006702 /nfs/dbraw/zinc/00/67/02/1017006702.db2.gz KXUAJXYRSUZBHW-SWLSCSKDSA-N 2 2 308.853 3.626 20 0 DHADLP Cc1ccc(C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000152838789 1017024779 /nfs/dbraw/zinc/02/47/79/1017024779.db2.gz OTNYOLPSSBKJNP-HXUWFJFHSA-N 2 2 323.484 3.681 20 0 DHADLP Fc1ccc(SCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000361943112 1032166123 /nfs/dbraw/zinc/16/61/23/1032166123.db2.gz JTSBWAVKIIZSTO-CYBMUJFWSA-N 2 2 305.422 3.521 20 0 DHADLP Fc1ccc(SCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000361943112 1032166128 /nfs/dbraw/zinc/16/61/28/1032166128.db2.gz JTSBWAVKIIZSTO-CYBMUJFWSA-N 2 2 305.422 3.521 20 0 DHADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000361972672 1032178385 /nfs/dbraw/zinc/17/83/85/1032178385.db2.gz SHXYJNWOSCDMHO-CVEARBPZSA-N 2 2 312.910 3.818 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000362158490 1032251745 /nfs/dbraw/zinc/25/17/45/1032251745.db2.gz YEMSEQCIFKUMBC-GHTZIAJQSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000362158490 1032251755 /nfs/dbraw/zinc/25/17/55/1032251755.db2.gz YEMSEQCIFKUMBC-GHTZIAJQSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ccncc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000362158490 1032251769 /nfs/dbraw/zinc/25/17/69/1032251769.db2.gz YEMSEQCIFKUMBC-GHTZIAJQSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ccncc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000362158490 1032251781 /nfs/dbraw/zinc/25/17/81/1032251781.db2.gz YEMSEQCIFKUMBC-GHTZIAJQSA-N 2 2 323.484 3.732 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccn2CCC(C)C)C[C@H]1C ZINC000537617070 1032291401 /nfs/dbraw/zinc/29/14/01/1032291401.db2.gz XSIVQWKHCXQWRG-MSOLQXFVSA-N 2 2 305.510 3.839 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccn2CCC(C)C)C[C@H]1C ZINC000537617070 1032291408 /nfs/dbraw/zinc/29/14/08/1032291408.db2.gz XSIVQWKHCXQWRG-MSOLQXFVSA-N 2 2 305.510 3.839 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccn2CCC(C)C)C[C@H]1C ZINC000537617070 1032291418 /nfs/dbraw/zinc/29/14/18/1032291418.db2.gz XSIVQWKHCXQWRG-MSOLQXFVSA-N 2 2 305.510 3.839 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccn2CCC(C)C)C[C@H]1C ZINC000537617070 1032291427 /nfs/dbraw/zinc/29/14/27/1032291427.db2.gz XSIVQWKHCXQWRG-MSOLQXFVSA-N 2 2 305.510 3.839 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1ccccn1 ZINC000152364540 1032333747 /nfs/dbraw/zinc/33/37/47/1032333747.db2.gz VXYJHQZFMBGECL-XYJFISCASA-N 2 2 301.478 3.775 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2CC(C(F)F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168066103 1017260559 /nfs/dbraw/zinc/26/05/59/1017260559.db2.gz LIMFHXGLRPQRMB-XOIINTDNSA-N 2 2 308.416 3.625 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2CC(C(F)F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168066103 1017260569 /nfs/dbraw/zinc/26/05/69/1017260569.db2.gz LIMFHXGLRPQRMB-XOIINTDNSA-N 2 2 308.416 3.625 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1sccc1Br ZINC000643496474 1032487333 /nfs/dbraw/zinc/48/73/33/1032487333.db2.gz ARTCVSUHGBAJAU-SNVBAGLBSA-N 2 2 317.296 3.823 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1C(F)(F)F ZINC000348188685 1032492830 /nfs/dbraw/zinc/49/28/30/1032492830.db2.gz UGFFNNZFYJYBHK-NEPJUHHUSA-N 2 2 309.335 3.568 20 0 DHADLP CC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc2C1 ZINC000092853693 1032514998 /nfs/dbraw/zinc/51/49/98/1032514998.db2.gz QPFNDIRTKKFLSA-UHFFFAOYSA-N 2 2 303.409 3.519 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)CC[N@@H+]1C ZINC000093644358 1032550600 /nfs/dbraw/zinc/55/06/00/1032550600.db2.gz AQMUNUUJMNXMAF-JSGCOSHPSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)CC[N@H+]1C ZINC000093644358 1032550603 /nfs/dbraw/zinc/55/06/03/1032550603.db2.gz AQMUNUUJMNXMAF-JSGCOSHPSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)CC[NH+]1C ZINC000093644358 1032550611 /nfs/dbraw/zinc/55/06/11/1032550611.db2.gz AQMUNUUJMNXMAF-JSGCOSHPSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)CC[NH+]1C ZINC000093644358 1032550615 /nfs/dbraw/zinc/55/06/15/1032550615.db2.gz AQMUNUUJMNXMAF-JSGCOSHPSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000537648426 1032579662 /nfs/dbraw/zinc/57/96/62/1032579662.db2.gz RNDCWGRQNGJGCP-HFTRVMKXSA-N 2 2 302.462 3.567 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000537648426 1032579645 /nfs/dbraw/zinc/57/96/45/1032579645.db2.gz RNDCWGRQNGJGCP-HFTRVMKXSA-N 2 2 302.462 3.567 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000537648426 1032579651 /nfs/dbraw/zinc/57/96/51/1032579651.db2.gz RNDCWGRQNGJGCP-HFTRVMKXSA-N 2 2 302.462 3.567 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000537648426 1032579657 /nfs/dbraw/zinc/57/96/57/1032579657.db2.gz RNDCWGRQNGJGCP-HFTRVMKXSA-N 2 2 302.462 3.567 20 0 DHADLP Cc1cc(F)c(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c(F)c1 ZINC000424164421 1011934268 /nfs/dbraw/zinc/93/42/68/1011934268.db2.gz WYDYQYSRPDZMLC-UHFFFAOYSA-N 2 2 322.374 3.764 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647934945 1011943665 /nfs/dbraw/zinc/94/36/65/1011943665.db2.gz VKEPWYNJSKXVKU-GDBMZVCRSA-N 2 2 310.869 3.686 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647934945 1011943674 /nfs/dbraw/zinc/94/36/74/1011943674.db2.gz VKEPWYNJSKXVKU-GDBMZVCRSA-N 2 2 310.869 3.686 20 0 DHADLP [NH3+]C[C@H](C[N@@H+]1CCCC[C@@H]1c1nccs1)c1ccc(F)cc1 ZINC000424307931 1011989017 /nfs/dbraw/zinc/98/90/17/1011989017.db2.gz YRXZMFSAVPIXTF-GDBMZVCRSA-N 2 2 319.449 3.552 20 0 DHADLP [NH3+]C[C@H](C[N@H+]1CCCC[C@@H]1c1nccs1)c1ccc(F)cc1 ZINC000424307931 1011989032 /nfs/dbraw/zinc/98/90/32/1011989032.db2.gz YRXZMFSAVPIXTF-GDBMZVCRSA-N 2 2 319.449 3.552 20 0 DHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001206767997 1012225913 /nfs/dbraw/zinc/22/59/13/1012225913.db2.gz GPQGUGNGSVDHIG-NXEZZACHSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001206767997 1012225928 /nfs/dbraw/zinc/22/59/28/1012225928.db2.gz GPQGUGNGSVDHIG-NXEZZACHSA-N 2 2 322.321 3.543 20 0 DHADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CCc3c(F)cccc3C2)cc1 ZINC001171417855 1032625133 /nfs/dbraw/zinc/62/51/33/1032625133.db2.gz GHIRTQRREIEQKB-KRWDZBQOSA-N 2 2 321.399 3.878 20 0 DHADLP c1ccc2c(c1)N(c1ccc3c([nH+]1)CCCC3)CC21CC[NH2+]CC1 ZINC001167069612 1012431381 /nfs/dbraw/zinc/43/13/81/1012431381.db2.gz LOHUYIKZXYUFCD-UHFFFAOYSA-N 2 2 319.452 3.733 20 0 DHADLP Cc1nc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)s1 ZINC000037156039 1032640217 /nfs/dbraw/zinc/64/02/17/1032640217.db2.gz PRQXFULERAANSK-RISCZKNCSA-N 2 2 306.479 3.722 20 0 DHADLP CSc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000037156080 1032641246 /nfs/dbraw/zinc/64/12/46/1032641246.db2.gz HALYFLQGFVBBJL-MRXNPFEDSA-N 2 2 303.475 3.810 20 0 DHADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1[nH]c[nH+]c1C ZINC001279356356 1012629457 /nfs/dbraw/zinc/62/94/57/1012629457.db2.gz OHOYAVOCCIKHOD-OKZBNKHCSA-N 2 2 318.509 3.583 20 0 DHADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1[nH]c[nH+]c1C ZINC001279356356 1012629467 /nfs/dbraw/zinc/62/94/67/1012629467.db2.gz OHOYAVOCCIKHOD-OKZBNKHCSA-N 2 2 318.509 3.583 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2ccccc2s1 ZINC000537688570 1032642178 /nfs/dbraw/zinc/64/21/78/1032642178.db2.gz UEKZKBLIJZZISF-CVEARBPZSA-N 2 2 300.471 3.960 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2ccccc2s1 ZINC000537688570 1032642195 /nfs/dbraw/zinc/64/21/95/1032642195.db2.gz UEKZKBLIJZZISF-CVEARBPZSA-N 2 2 300.471 3.960 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2s1 ZINC000537688570 1032642202 /nfs/dbraw/zinc/64/22/02/1032642202.db2.gz UEKZKBLIJZZISF-CVEARBPZSA-N 2 2 300.471 3.960 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2s1 ZINC000537688570 1032642211 /nfs/dbraw/zinc/64/22/11/1032642211.db2.gz UEKZKBLIJZZISF-CVEARBPZSA-N 2 2 300.471 3.960 20 0 DHADLP C[C@H](C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001208894867 1012766124 /nfs/dbraw/zinc/76/61/24/1012766124.db2.gz WTMZVELOGHCJBT-CQSZACIVSA-N 2 2 314.395 3.781 20 0 DHADLP C[C@H](C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC001208894867 1012766129 /nfs/dbraw/zinc/76/61/29/1012766129.db2.gz WTMZVELOGHCJBT-CQSZACIVSA-N 2 2 314.395 3.781 20 0 DHADLP Fc1c(Cl)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167961186 1012771701 /nfs/dbraw/zinc/77/17/01/1012771701.db2.gz GAWQLWKKTNNHRT-MQVJKMGUSA-N 2 2 322.855 3.974 20 0 DHADLP Fc1c(Cl)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961186 1012771715 /nfs/dbraw/zinc/77/17/15/1012771715.db2.gz GAWQLWKKTNNHRT-MQVJKMGUSA-N 2 2 322.855 3.974 20 0 DHADLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c2ccccc12 ZINC000290353192 1012902586 /nfs/dbraw/zinc/90/25/86/1012902586.db2.gz GFWIZKGOQYTEGI-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c2ccccc12 ZINC000290353192 1012902601 /nfs/dbraw/zinc/90/26/01/1012902601.db2.gz GFWIZKGOQYTEGI-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP CCCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000179670710 1017281646 /nfs/dbraw/zinc/28/16/46/1017281646.db2.gz ITSSPXADLGEBEE-SFHVURJKSA-N 2 2 301.434 3.803 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000282003734 1017287241 /nfs/dbraw/zinc/28/72/41/1017287241.db2.gz DCFUBTPDLPKESF-MCYKXBRJSA-N 2 2 313.489 3.775 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccccc3)s2)CC1 ZINC000077249381 1017452142 /nfs/dbraw/zinc/45/21/42/1017452142.db2.gz JIUNWHDPPPVCML-UHFFFAOYSA-N 2 2 315.486 3.726 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccccc3)s2)CC1 ZINC000077249381 1017452150 /nfs/dbraw/zinc/45/21/50/1017452150.db2.gz JIUNWHDPPPVCML-UHFFFAOYSA-N 2 2 315.486 3.726 20 0 DHADLP Cc1csc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)n1 ZINC000623858284 1017535839 /nfs/dbraw/zinc/53/58/39/1017535839.db2.gz HOPYTYAJFNWMQZ-CQSZACIVSA-N 2 2 312.442 3.547 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444706558 1017639870 /nfs/dbraw/zinc/63/98/70/1017639870.db2.gz NKJRBKGBIOCIAY-CQSZACIVSA-N 2 2 323.362 3.955 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444706558 1017639878 /nfs/dbraw/zinc/63/98/78/1017639878.db2.gz NKJRBKGBIOCIAY-CQSZACIVSA-N 2 2 323.362 3.955 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119907612 1017666618 /nfs/dbraw/zinc/66/66/18/1017666618.db2.gz KPSBUINJTBEGJT-MRXNPFEDSA-N 2 2 320.440 3.789 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000657693369 1017800935 /nfs/dbraw/zinc/80/09/35/1017800935.db2.gz AVAHDYUDQPRJHK-BJLQDIEVSA-N 2 2 315.505 3.818 20 0 DHADLP CCC[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ncccc1Cl ZINC000925169744 1017897647 /nfs/dbraw/zinc/89/76/47/1017897647.db2.gz KIGXYRFBVHMWQP-ZFWWWQNUSA-N 2 2 318.852 3.940 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(F)c1F ZINC000183255252 1018006789 /nfs/dbraw/zinc/00/67/89/1018006789.db2.gz AOPITCNLIIRWRV-ZDUSSCGKSA-N 2 2 305.372 3.903 20 0 DHADLP Cc1ccccc1C([NH2+]CCn1cc[nH+]c1)c1ccccc1C ZINC000183934880 1018052259 /nfs/dbraw/zinc/05/22/59/1018052259.db2.gz XRXAWXUXESERSU-UHFFFAOYSA-N 2 2 305.425 3.879 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C2(C)CC2)CCOCC1)c1ccccc1 ZINC000153979599 1018085012 /nfs/dbraw/zinc/08/50/12/1018085012.db2.gz OIEZMCQOVZKJDX-SJORKVTESA-N 2 2 316.489 3.665 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3ccc(Cl)cc31)CCC2 ZINC000343095393 1018159032 /nfs/dbraw/zinc/15/90/32/1018159032.db2.gz JNTYLNBTNSOZPZ-PBHICJAKSA-N 2 2 315.848 3.999 20 0 DHADLP COc1c(C)cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000796662631 1018170558 /nfs/dbraw/zinc/17/05/58/1018170558.db2.gz FRFVUZZOJLLEMZ-ZDUSSCGKSA-N 2 2 307.825 3.594 20 0 DHADLP COc1cccc2c1CCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000194909457 1018214114 /nfs/dbraw/zinc/21/41/14/1018214114.db2.gz FVCMTLJWUHJDNS-QGZVFWFLSA-N 2 2 311.429 3.559 20 0 DHADLP c1[nH+]c2c(n1C1CC[NH+](CCc3ccccc3)CC1)CCCC2 ZINC000671439066 1018281046 /nfs/dbraw/zinc/28/10/46/1018281046.db2.gz FDYZBKIBMYXCIJ-UHFFFAOYSA-N 2 2 309.457 3.642 20 0 DHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cc(F)cc(F)c1 ZINC000446977503 1018307021 /nfs/dbraw/zinc/30/70/21/1018307021.db2.gz OROZFHGDPVSXBH-UHFFFAOYSA-N 2 2 319.380 3.844 20 0 DHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cc(F)cc(F)c1 ZINC000446977503 1018307028 /nfs/dbraw/zinc/30/70/28/1018307028.db2.gz OROZFHGDPVSXBH-UHFFFAOYSA-N 2 2 319.380 3.844 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447325073 1018373576 /nfs/dbraw/zinc/37/35/76/1018373576.db2.gz OOZJAOWZHSMPQP-INIZCTEOSA-N 2 2 315.288 3.952 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447325073 1018373586 /nfs/dbraw/zinc/37/35/86/1018373586.db2.gz OOZJAOWZHSMPQP-INIZCTEOSA-N 2 2 315.288 3.952 20 0 DHADLP CC(C)[C@@H](C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766109804 1018375659 /nfs/dbraw/zinc/37/56/59/1018375659.db2.gz RNDHMEKUQZCTCL-INIZCTEOSA-N 2 2 303.494 3.603 20 0 DHADLP CC[C@@H](C[NH2+][C@@H](CC)c1ccc2c(c1)CCO2)[NH+]1CCCC1 ZINC000764871814 1018412416 /nfs/dbraw/zinc/41/24/16/1018412416.db2.gz ZBYMVQBDSUNLQI-ROUUACIJSA-N 2 2 302.462 3.537 20 0 DHADLP Cc1nc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000675548464 1018521936 /nfs/dbraw/zinc/52/19/36/1018521936.db2.gz PYEBOSJXTYLHSL-LJQANCHMSA-N 2 2 324.472 3.726 20 0 DHADLP Cc1nc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000675548464 1018521949 /nfs/dbraw/zinc/52/19/49/1018521949.db2.gz PYEBOSJXTYLHSL-LJQANCHMSA-N 2 2 324.472 3.726 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000675739066 1018567712 /nfs/dbraw/zinc/56/77/12/1018567712.db2.gz BJSXOZZYSOMTAB-YLJYHZDGSA-N 2 2 309.457 3.990 20 0 DHADLP CCCNc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000278363810 1018613098 /nfs/dbraw/zinc/61/30/98/1018613098.db2.gz BQKDGYYQECMYAO-UHFFFAOYSA-N 2 2 324.472 3.662 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000151125340 1018656459 /nfs/dbraw/zinc/65/64/59/1018656459.db2.gz JGVGXYBYJXUVOK-MRXNPFEDSA-N 2 2 306.413 3.686 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000650751176 1018662525 /nfs/dbraw/zinc/66/25/25/1018662525.db2.gz PZJZDRCFBNRIDF-QAPCUYQASA-N 2 2 318.424 3.560 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000765255080 1018738019 /nfs/dbraw/zinc/73/80/19/1018738019.db2.gz PDJKSEFAAHSQLQ-BRWVUGGUSA-N 2 2 304.478 3.651 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000765254633 1018738562 /nfs/dbraw/zinc/73/85/62/1018738562.db2.gz ZQUIGQMWKGPRAB-KSSFIOAISA-N 2 2 313.445 3.679 20 0 DHADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000314658925 1018758484 /nfs/dbraw/zinc/75/84/84/1018758484.db2.gz FAYLJLPGLMTODK-HOCLYGCPSA-N 2 2 312.379 3.669 20 0 DHADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000314658925 1018758491 /nfs/dbraw/zinc/75/84/91/1018758491.db2.gz FAYLJLPGLMTODK-HOCLYGCPSA-N 2 2 312.379 3.669 20 0 DHADLP c1cn([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)c[nH+]1 ZINC000676558017 1018772320 /nfs/dbraw/zinc/77/23/20/1018772320.db2.gz DDVLALAOKWCVSO-INIZCTEOSA-N 2 2 324.453 3.844 20 0 DHADLP c1cn([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)c[nH+]1 ZINC000676558017 1018772325 /nfs/dbraw/zinc/77/23/25/1018772325.db2.gz DDVLALAOKWCVSO-INIZCTEOSA-N 2 2 324.453 3.844 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000151543318 1018899440 /nfs/dbraw/zinc/89/94/40/1018899440.db2.gz OCEVEMLAOGGFRG-ZETOZRRWSA-N 2 2 301.261 3.812 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000151543318 1018899458 /nfs/dbraw/zinc/89/94/58/1018899458.db2.gz OCEVEMLAOGGFRG-ZETOZRRWSA-N 2 2 301.261 3.812 20 0 DHADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000062426639 1018971709 /nfs/dbraw/zinc/97/17/09/1018971709.db2.gz CZVKWIRIQYOIED-MRXNPFEDSA-N 2 2 318.848 3.935 20 0 DHADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000062426639 1018971721 /nfs/dbraw/zinc/97/17/21/1018971721.db2.gz CZVKWIRIQYOIED-MRXNPFEDSA-N 2 2 318.848 3.935 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1c(C)noc1C ZINC000584160184 1018993598 /nfs/dbraw/zinc/99/35/98/1018993598.db2.gz KXTBQKAUJKGLEA-FGTMMUONSA-N 2 2 313.445 3.825 20 0 DHADLP [NH3+]CC[C@@H]1CN(c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC001168548843 1019004665 /nfs/dbraw/zinc/00/46/65/1019004665.db2.gz IPERXLJTEVWOHY-QGZVFWFLSA-N 2 2 318.424 3.516 20 0 DHADLP c1csc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)c1 ZINC000386841827 1019025893 /nfs/dbraw/zinc/02/58/93/1019025893.db2.gz TYMVTXOYYJHEHL-GOSISDBHSA-N 2 2 313.470 3.853 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584232561 1019036745 /nfs/dbraw/zinc/03/67/45/1019036745.db2.gz ZJNVRNYOQCICEJ-BBRMVZONSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584232561 1019036759 /nfs/dbraw/zinc/03/67/59/1019036759.db2.gz ZJNVRNYOQCICEJ-BBRMVZONSA-N 2 2 323.278 3.586 20 0 DHADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960173 1019135240 /nfs/dbraw/zinc/13/52/40/1019135240.db2.gz BVSHNFNJEKIYAK-ZDUSSCGKSA-N 2 2 309.335 3.808 20 0 DHADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960173 1019135247 /nfs/dbraw/zinc/13/52/47/1019135247.db2.gz BVSHNFNJEKIYAK-ZDUSSCGKSA-N 2 2 309.335 3.808 20 0 DHADLP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000635013189 1019147754 /nfs/dbraw/zinc/14/77/54/1019147754.db2.gz XAYSLWOHPXCAPK-IEBWSBKVSA-N 2 2 309.457 3.539 20 0 DHADLP Cc1[nH+]cn([C@@H](C)CCc2ccc(C)cc2)c1CSCC[NH3+] ZINC001171661152 1032816479 /nfs/dbraw/zinc/81/64/79/1032816479.db2.gz YSYLDVIDAIADHF-HNNXBMFYSA-N 2 2 317.502 3.886 20 0 DHADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCSC2)C[N@@H+]1Cc1ccccc1 ZINC000672620999 1019312551 /nfs/dbraw/zinc/31/25/51/1019312551.db2.gz JUYLHJMCMFEBCK-ROUUACIJSA-N 2 2 318.530 3.772 20 0 DHADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCSC2)C[N@H+]1Cc1ccccc1 ZINC000672620999 1019312559 /nfs/dbraw/zinc/31/25/59/1019312559.db2.gz JUYLHJMCMFEBCK-ROUUACIJSA-N 2 2 318.530 3.772 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cccnc1 ZINC000091284357 1019455924 /nfs/dbraw/zinc/45/59/24/1019455924.db2.gz MTAPXIDRMKDGAN-FQEVSTJZSA-N 2 2 320.440 3.813 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccnc1 ZINC000091307378 1019456115 /nfs/dbraw/zinc/45/61/15/1019456115.db2.gz DBEKKRZFIFQWOU-IBGZPJMESA-N 2 2 324.403 3.893 20 0 DHADLP COc1ccc([C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000091334414 1019459253 /nfs/dbraw/zinc/45/92/53/1019459253.db2.gz XXQZDMIIIMPRJR-PXNSSMCTSA-N 2 2 314.473 3.753 20 0 DHADLP COc1ccc([C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000091334414 1019459258 /nfs/dbraw/zinc/45/92/58/1019459258.db2.gz XXQZDMIIIMPRJR-PXNSSMCTSA-N 2 2 314.473 3.753 20 0 DHADLP C[C@H](CC[NH2+][C@H](C)c1ccc(F)cn1)[N@H+](C)Cc1ccccc1 ZINC000092766172 1019545591 /nfs/dbraw/zinc/54/55/91/1019545591.db2.gz ALCIDAZHHJVGOR-HZPDHXFCSA-N 2 2 315.436 3.782 20 0 DHADLP C[C@H](CC[NH2+][C@H](C)c1ccc(F)cn1)[N@@H+](C)Cc1ccccc1 ZINC000092766172 1019545604 /nfs/dbraw/zinc/54/56/04/1019545604.db2.gz ALCIDAZHHJVGOR-HZPDHXFCSA-N 2 2 315.436 3.782 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CCC3)s2)C1 ZINC000093753052 1019580567 /nfs/dbraw/zinc/58/05/67/1019580567.db2.gz AAOHCNLLEGYOQI-CQSZACIVSA-N 2 2 307.507 3.574 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CCC3)s2)C1 ZINC000093753052 1019580575 /nfs/dbraw/zinc/58/05/75/1019580575.db2.gz AAOHCNLLEGYOQI-CQSZACIVSA-N 2 2 307.507 3.574 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000093753052 1019580583 /nfs/dbraw/zinc/58/05/83/1019580583.db2.gz AAOHCNLLEGYOQI-CQSZACIVSA-N 2 2 307.507 3.574 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000093753052 1019580593 /nfs/dbraw/zinc/58/05/93/1019580593.db2.gz AAOHCNLLEGYOQI-CQSZACIVSA-N 2 2 307.507 3.574 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115610447 1019749367 /nfs/dbraw/zinc/74/93/67/1019749367.db2.gz SJSQHWXJKXWDPB-UHFFFAOYSA-N 2 2 320.383 3.799 20 0 DHADLP CC(C)(C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000685427824 1019806615 /nfs/dbraw/zinc/80/66/15/1019806615.db2.gz NNZBNZTWRLAJIQ-UHFFFAOYSA-N 2 2 319.452 3.999 20 0 DHADLP C[C@H]([NH2+]CCC[NH+](C)C)c1cc(Cl)ccc1OC(F)F ZINC000151949000 1019900592 /nfs/dbraw/zinc/90/05/92/1019900592.db2.gz WXHWUESUIQPGPM-JTQLQIEISA-N 2 2 306.784 3.544 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000157784594 1019908630 /nfs/dbraw/zinc/90/86/30/1019908630.db2.gz AYMARHVGQRMVLL-RDJZCZTQSA-N 2 2 324.415 3.813 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000157784594 1019908636 /nfs/dbraw/zinc/90/86/36/1019908636.db2.gz AYMARHVGQRMVLL-RDJZCZTQSA-N 2 2 324.415 3.813 20 0 DHADLP Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000685571449 1019956576 /nfs/dbraw/zinc/95/65/76/1019956576.db2.gz UEQJZHFKFBDNGA-GFCCVEGCSA-N 2 2 310.401 3.636 20 0 DHADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000685568167 1019957311 /nfs/dbraw/zinc/95/73/11/1019957311.db2.gz HICQBXSTZBMJHJ-QGZVFWFLSA-N 2 2 319.880 3.757 20 0 DHADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000685568167 1019957313 /nfs/dbraw/zinc/95/73/13/1019957313.db2.gz HICQBXSTZBMJHJ-QGZVFWFLSA-N 2 2 319.880 3.757 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000685662122 1020019114 /nfs/dbraw/zinc/01/91/14/1020019114.db2.gz GEDUALBUAJOFKF-NOZJJQNGSA-N 2 2 322.239 3.851 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093604534 1020065215 /nfs/dbraw/zinc/06/52/15/1020065215.db2.gz HCCNFJFRZDFXQR-HNNXBMFYSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093604534 1020065224 /nfs/dbraw/zinc/06/52/24/1020065224.db2.gz HCCNFJFRZDFXQR-HNNXBMFYSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc2sc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)nc2c1 ZINC000625142453 1020385871 /nfs/dbraw/zinc/38/58/71/1020385871.db2.gz ZGLRTAUCBMTFDZ-AWEZNQCLSA-N 2 2 312.442 3.638 20 0 DHADLP Cc1ccc2sc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)nc2c1 ZINC000625142453 1020385876 /nfs/dbraw/zinc/38/58/76/1020385876.db2.gz ZGLRTAUCBMTFDZ-AWEZNQCLSA-N 2 2 312.442 3.638 20 0 DHADLP CCc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000347784921 1020422441 /nfs/dbraw/zinc/42/24/41/1020422441.db2.gz MJSBFXPYCNOTNG-HXUWFJFHSA-N 2 2 323.484 3.598 20 0 DHADLP CCc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000347784921 1020422445 /nfs/dbraw/zinc/42/24/45/1020422445.db2.gz MJSBFXPYCNOTNG-HXUWFJFHSA-N 2 2 323.484 3.598 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000347784921 1020422449 /nfs/dbraw/zinc/42/24/49/1020422449.db2.gz MJSBFXPYCNOTNG-HXUWFJFHSA-N 2 2 323.484 3.598 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000347784921 1020422456 /nfs/dbraw/zinc/42/24/56/1020422456.db2.gz MJSBFXPYCNOTNG-HXUWFJFHSA-N 2 2 323.484 3.598 20 0 DHADLP c1cncc(-c2cccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2)c1 ZINC000655857303 1020432228 /nfs/dbraw/zinc/43/22/28/1020432228.db2.gz RZPWKWOQTVMFTD-NHCUHLMSSA-N 2 2 321.468 3.855 20 0 DHADLP c1cncc(-c2cccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)c1 ZINC000655857303 1020432231 /nfs/dbraw/zinc/43/22/31/1020432231.db2.gz RZPWKWOQTVMFTD-NHCUHLMSSA-N 2 2 321.468 3.855 20 0 DHADLP CC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766192814 1020511936 /nfs/dbraw/zinc/51/19/36/1020511936.db2.gz XLCKPMQWJPGEPI-OXJNMPFZSA-N 2 2 315.505 3.890 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625654754 1020644619 /nfs/dbraw/zinc/64/46/19/1020644619.db2.gz QJUVVCWRYOFLMI-GASCZTMLSA-N 2 2 319.399 3.904 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625654754 1020644621 /nfs/dbraw/zinc/64/46/21/1020644621.db2.gz QJUVVCWRYOFLMI-GASCZTMLSA-N 2 2 319.399 3.904 20 0 DHADLP Cc1[nH+]cn([C@H](C)Cc2ccc(C(F)(F)F)cc2)c1CC[NH3+] ZINC001171958876 1032927089 /nfs/dbraw/zinc/92/70/89/1032927089.db2.gz KHMKWUIUIJCPKB-LLVKDONJSA-N 2 2 311.351 3.515 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000414078385 1020858120 /nfs/dbraw/zinc/85/81/20/1020858120.db2.gz ZXWLXRXDBKOQSH-NVXWUHKLSA-N 2 2 303.837 3.853 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C)CCC2 ZINC000414118303 1020909559 /nfs/dbraw/zinc/90/95/59/1020909559.db2.gz UVQIZKCBBPORFA-XHSDSOJGSA-N 2 2 319.493 3.641 20 0 DHADLP C[C@H](CC[NH2+]Cc1ccc2c(n1)CCC2)[N@H+](C)Cc1ccccc1 ZINC000570927338 1020949856 /nfs/dbraw/zinc/94/98/56/1020949856.db2.gz GPXVFTKYWCSCBY-QGZVFWFLSA-N 2 2 323.484 3.571 20 0 DHADLP C[C@H](CC[NH2+]Cc1ccc2c(n1)CCC2)[N@@H+](C)Cc1ccccc1 ZINC000570927338 1020949864 /nfs/dbraw/zinc/94/98/64/1020949864.db2.gz GPXVFTKYWCSCBY-QGZVFWFLSA-N 2 2 323.484 3.571 20 0 DHADLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1C(F)(F)F ZINC000414309653 1021078721 /nfs/dbraw/zinc/07/87/21/1021078721.db2.gz VIJRUVFVDKXHAD-LBPRGKRZSA-N 2 2 311.351 3.636 20 0 DHADLP CC1(C)C[C@@H]([NH+]2Cc3cccnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976123 1032960527 /nfs/dbraw/zinc/96/05/27/1032960527.db2.gz ILVIFTCLDQHSJN-IBGZPJMESA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@@H]([NH+]2Cc3cccnc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171976123 1032960533 /nfs/dbraw/zinc/96/05/33/1032960533.db2.gz ILVIFTCLDQHSJN-IBGZPJMESA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@@H]([N@@H+]2Cc3cccnc3C2)CC[NH+]1Cc1ccccc1 ZINC001171976123 1032960541 /nfs/dbraw/zinc/96/05/41/1032960541.db2.gz ILVIFTCLDQHSJN-IBGZPJMESA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@@H]([N@H+]2Cc3cccnc3C2)CC[NH+]1Cc1ccccc1 ZINC001171976123 1032960545 /nfs/dbraw/zinc/96/05/45/1032960545.db2.gz ILVIFTCLDQHSJN-IBGZPJMESA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171977931 1032966873 /nfs/dbraw/zinc/96/68/73/1032966873.db2.gz VBWZNLLZIXMBAA-SFHVURJKSA-N 2 2 316.489 3.540 20 0 DHADLP CC1(C)C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171977931 1032966886 /nfs/dbraw/zinc/96/68/86/1032966886.db2.gz VBWZNLLZIXMBAA-SFHVURJKSA-N 2 2 316.489 3.540 20 0 DHADLP CC1(C)C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171977931 1032966900 /nfs/dbraw/zinc/96/69/00/1032966900.db2.gz VBWZNLLZIXMBAA-SFHVURJKSA-N 2 2 316.489 3.540 20 0 DHADLP CC1(C)C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171977931 1032966911 /nfs/dbraw/zinc/96/69/11/1032966911.db2.gz VBWZNLLZIXMBAA-SFHVURJKSA-N 2 2 316.489 3.540 20 0 DHADLP CCc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000605592393 1021260500 /nfs/dbraw/zinc/26/05/00/1021260500.db2.gz VMXJSRPVIKYWFP-UHFFFAOYSA-N 2 2 305.425 3.767 20 0 DHADLP CC[C@@H]1COCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984038 1032964627 /nfs/dbraw/zinc/96/46/27/1032964627.db2.gz BWGVMYWZESCMLT-RTBURBONSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1COCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171984038 1032964636 /nfs/dbraw/zinc/96/46/36/1032964636.db2.gz BWGVMYWZESCMLT-RTBURBONSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1COCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984038 1032964641 /nfs/dbraw/zinc/96/46/41/1032964641.db2.gz BWGVMYWZESCMLT-RTBURBONSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1COCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984038 1032964650 /nfs/dbraw/zinc/96/46/50/1032964650.db2.gz BWGVMYWZESCMLT-RTBURBONSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](COc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000537967727 1032966163 /nfs/dbraw/zinc/96/61/63/1032966163.db2.gz XPKIYHISFMQDBV-SLYNCCJLSA-N 2 2 324.468 3.879 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](COc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000537967727 1032966175 /nfs/dbraw/zinc/96/61/75/1032966175.db2.gz XPKIYHISFMQDBV-SLYNCCJLSA-N 2 2 324.468 3.879 20 0 DHADLP C[C@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)O1 ZINC001171986007 1032969356 /nfs/dbraw/zinc/96/93/56/1032969356.db2.gz FDWFCWZBFOIQNH-LNLFQRSKSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)O1 ZINC001171986007 1032969371 /nfs/dbraw/zinc/96/93/71/1032969371.db2.gz FDWFCWZBFOIQNH-LNLFQRSKSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)C[NH+](C)C ZINC000554085725 1021394460 /nfs/dbraw/zinc/39/44/60/1021394460.db2.gz PGSZTZNOPYLBGJ-OLZOCXBDSA-N 2 2 302.384 3.566 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(SC(F)F)cc1 ZINC000154633552 1021437771 /nfs/dbraw/zinc/43/77/71/1021437771.db2.gz UVEXXIJSKXLTNB-AAEUAGOBSA-N 2 2 300.418 3.746 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(SC(F)F)cc1 ZINC000154633552 1021437774 /nfs/dbraw/zinc/43/77/74/1021437774.db2.gz UVEXXIJSKXLTNB-AAEUAGOBSA-N 2 2 300.418 3.746 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(SC(F)F)cc1 ZINC000154633724 1021439867 /nfs/dbraw/zinc/43/98/67/1021439867.db2.gz UVEXXIJSKXLTNB-DGCLKSJQSA-N 2 2 300.418 3.746 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(SC(F)F)cc1 ZINC000154633724 1021439877 /nfs/dbraw/zinc/43/98/77/1021439877.db2.gz UVEXXIJSKXLTNB-DGCLKSJQSA-N 2 2 300.418 3.746 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C(F)F)nc1 ZINC000850424882 1021524426 /nfs/dbraw/zinc/52/44/26/1021524426.db2.gz IBMBFVYMEWJXQD-IUODEOHRSA-N 2 2 322.403 3.981 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850530121 1021582897 /nfs/dbraw/zinc/58/28/97/1021582897.db2.gz VVVDVABYCJRJAH-KPOBHBOGSA-N 2 2 319.408 3.701 20 0 DHADLP CCCCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850557454 1021604017 /nfs/dbraw/zinc/60/40/17/1021604017.db2.gz OJBWORJEPOJMPC-MISYRCLQSA-N 2 2 322.537 3.968 20 0 DHADLP CC[N@H+](CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000498443941 1021664857 /nfs/dbraw/zinc/66/48/57/1021664857.db2.gz NDVUUFLUVRMUJG-SFHVURJKSA-N 2 2 302.437 3.836 20 0 DHADLP CC[N@@H+](CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000498443941 1021664862 /nfs/dbraw/zinc/66/48/62/1021664862.db2.gz NDVUUFLUVRMUJG-SFHVURJKSA-N 2 2 302.437 3.836 20 0 DHADLP C[C@H]([N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556496006 1021739438 /nfs/dbraw/zinc/73/94/38/1021739438.db2.gz ZCTSCPCLDYAPAN-PKOBYXMFSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@H]([N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556496006 1021739445 /nfs/dbraw/zinc/73/94/45/1021739445.db2.gz ZCTSCPCLDYAPAN-PKOBYXMFSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@H]([NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556496006 1021739452 /nfs/dbraw/zinc/73/94/52/1021739452.db2.gz ZCTSCPCLDYAPAN-PKOBYXMFSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@H]([NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556496006 1021739464 /nfs/dbraw/zinc/73/94/64/1021739464.db2.gz ZCTSCPCLDYAPAN-PKOBYXMFSA-N 2 2 318.505 3.644 20 0 DHADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001172104118 1033005306 /nfs/dbraw/zinc/00/53/06/1033005306.db2.gz ZTFHENOMPATNOP-ZSOGYDGISA-N 2 2 310.844 3.892 20 0 DHADLP Cc1ccc(Cl)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001172104118 1033005312 /nfs/dbraw/zinc/00/53/12/1033005312.db2.gz ZTFHENOMPATNOP-ZSOGYDGISA-N 2 2 310.844 3.892 20 0 DHADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000893017915 1021804358 /nfs/dbraw/zinc/80/43/58/1021804358.db2.gz BBUXVTZQCCATBP-SUMWQHHRSA-N 2 2 320.458 3.522 20 0 DHADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000893017915 1021804374 /nfs/dbraw/zinc/80/43/74/1021804374.db2.gz BBUXVTZQCCATBP-SUMWQHHRSA-N 2 2 320.458 3.522 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000236794079 1021876620 /nfs/dbraw/zinc/87/66/20/1021876620.db2.gz TTXBEUFZAGAMAB-UHFFFAOYSA-N 2 2 316.489 3.972 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271215963 1022042791 /nfs/dbraw/zinc/04/27/91/1022042791.db2.gz XJSHCEGWQFCHIL-UHFFFAOYSA-N 2 2 321.371 3.699 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nc1C ZINC000414166773 1022174415 /nfs/dbraw/zinc/17/44/15/1022174415.db2.gz ODJAGOWNKJEIPG-AZUAARDMSA-N 2 2 309.457 3.624 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nc1C ZINC000414166773 1022174423 /nfs/dbraw/zinc/17/44/23/1022174423.db2.gz ODJAGOWNKJEIPG-AZUAARDMSA-N 2 2 309.457 3.624 20 0 DHADLP CCc1ccc2[nH+]ccc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000649267920 1022260383 /nfs/dbraw/zinc/26/03/83/1022260383.db2.gz KFXJEDZTCWPQEZ-MRXNPFEDSA-N 2 2 306.413 3.835 20 0 DHADLP CC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C(C)C ZINC000153959500 1022264440 /nfs/dbraw/zinc/26/44/40/1022264440.db2.gz RDMRDRHYCSXQLY-HKUYNNGSSA-N 2 2 318.505 3.911 20 0 DHADLP CC[N@H+](CCC=C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659974316 1022276309 /nfs/dbraw/zinc/27/63/09/1022276309.db2.gz ZWZSIOZOPDMLSU-UHFFFAOYSA-N 2 2 301.478 3.976 20 0 DHADLP CC[N@@H+](CCC=C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659974316 1022276318 /nfs/dbraw/zinc/27/63/18/1022276318.db2.gz ZWZSIOZOPDMLSU-UHFFFAOYSA-N 2 2 301.478 3.976 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@](C)(c3ccccc3)C1)C2 ZINC000363862747 1022348838 /nfs/dbraw/zinc/34/88/38/1022348838.db2.gz ICNPOBXVBGWPMH-HBFSDRIKSA-N 2 2 309.457 3.606 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@@H](C)Cn3cc[nH+]c3)ccc2c1 ZINC000268851955 1022383841 /nfs/dbraw/zinc/38/38/41/1022383841.db2.gz WQAXMPBYJVJZHN-GJZGRUSLSA-N 2 2 309.413 3.784 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(F)cc3cccnc31)CCC2 ZINC000363893832 1022392064 /nfs/dbraw/zinc/39/20/64/1022392064.db2.gz MKNMWVWQVKGSPN-OAHLLOKOSA-N 2 2 324.403 3.546 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)[C@H]1C[C@@H]1c1cccs1 ZINC000367436670 1022393559 /nfs/dbraw/zinc/39/35/59/1022393559.db2.gz GYYLEFMWIWFPLP-XQLPTFJDSA-N 2 2 301.459 3.604 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2Cl)[C@H](C)C1 ZINC000660081800 1022448762 /nfs/dbraw/zinc/44/87/62/1022448762.db2.gz ISALIZLHRKCPKN-HIFRSBDPSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2Cl)[C@H](C)C1 ZINC000660081800 1022448766 /nfs/dbraw/zinc/44/87/66/1022448766.db2.gz ISALIZLHRKCPKN-HIFRSBDPSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2Cl)[C@H](C)C1 ZINC000660081800 1022448771 /nfs/dbraw/zinc/44/87/71/1022448771.db2.gz ISALIZLHRKCPKN-HIFRSBDPSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2Cl)[C@H](C)C1 ZINC000660081800 1022448775 /nfs/dbraw/zinc/44/87/75/1022448775.db2.gz ISALIZLHRKCPKN-HIFRSBDPSA-N 2 2 310.869 3.511 20 0 DHADLP FC(F)(F)c1cccc2cc[nH+]c(NCC[C@H]3CCC[NH2+]3)c21 ZINC001169558993 1022450513 /nfs/dbraw/zinc/45/05/13/1022450513.db2.gz XEOFIVFGTGPYOU-GFCCVEGCSA-N 2 2 309.335 3.808 20 0 DHADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CSc3ccccc3C2)C1 ZINC001172198568 1033058206 /nfs/dbraw/zinc/05/82/06/1033058206.db2.gz QGTPZYURQQIAHF-JKSUJKDBSA-N 2 2 304.503 3.556 20 0 DHADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CSc3ccccc3C2)C1 ZINC001172198568 1033058227 /nfs/dbraw/zinc/05/82/27/1033058227.db2.gz QGTPZYURQQIAHF-JKSUJKDBSA-N 2 2 304.503 3.556 20 0 DHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](C)[NH+](C)C ZINC000671108698 1022525611 /nfs/dbraw/zinc/52/56/11/1022525611.db2.gz MNAIDVBMCDQJOQ-GJZGRUSLSA-N 2 2 301.478 3.764 20 0 DHADLP CO[C@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)C1CCCCC1 ZINC000660148276 1022577867 /nfs/dbraw/zinc/57/78/67/1022577867.db2.gz OBUUEUNXNWAVIK-GOSISDBHSA-N 2 2 317.477 3.553 20 0 DHADLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001169901398 1022582681 /nfs/dbraw/zinc/58/26/81/1022582681.db2.gz TYCSKEDWNJFYLH-BGYRXZFFSA-N 2 2 324.443 3.698 20 0 DHADLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001169901398 1022582687 /nfs/dbraw/zinc/58/26/87/1022582687.db2.gz TYCSKEDWNJFYLH-BGYRXZFFSA-N 2 2 324.443 3.698 20 0 DHADLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001169901398 1022582696 /nfs/dbraw/zinc/58/26/96/1022582696.db2.gz TYCSKEDWNJFYLH-BGYRXZFFSA-N 2 2 324.443 3.698 20 0 DHADLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001169901398 1022582702 /nfs/dbraw/zinc/58/27/02/1022582702.db2.gz TYCSKEDWNJFYLH-BGYRXZFFSA-N 2 2 324.443 3.698 20 0 DHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000315626190 1022653603 /nfs/dbraw/zinc/65/36/03/1022653603.db2.gz UAAMSWXVVVDZMP-CYBMUJFWSA-N 2 2 309.360 3.616 20 0 DHADLP Cc1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)o1 ZINC000767374662 1022699547 /nfs/dbraw/zinc/69/95/47/1022699547.db2.gz WRZSOCYAWDOJAZ-GOSISDBHSA-N 2 2 309.413 3.704 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@@H]1c1cccs1 ZINC000367439400 1022699736 /nfs/dbraw/zinc/69/97/36/1022699736.db2.gz UINYHQCGMKKEGC-IMJJTQAJSA-N 2 2 315.486 3.605 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000621375781 1022726426 /nfs/dbraw/zinc/72/64/26/1022726426.db2.gz FGUIFEYYZNIXOI-HZPDHXFCSA-N 2 2 308.416 3.674 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000621375781 1022726433 /nfs/dbraw/zinc/72/64/33/1022726433.db2.gz FGUIFEYYZNIXOI-HZPDHXFCSA-N 2 2 308.416 3.674 20 0 DHADLP CCn1c[nH+]cc1CNc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000417806213 1022853098 /nfs/dbraw/zinc/85/30/98/1022853098.db2.gz AQPPSAHIVLXMBC-MRXNPFEDSA-N 2 2 312.461 3.890 20 0 DHADLP CCn1c[nH+]cc1CNc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000417806213 1022853116 /nfs/dbraw/zinc/85/31/16/1022853116.db2.gz AQPPSAHIVLXMBC-MRXNPFEDSA-N 2 2 312.461 3.890 20 0 DHADLP ClC1(Cl)C[C@H]1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000856807661 1022874501 /nfs/dbraw/zinc/87/45/01/1022874501.db2.gz PMSXCPBUNOKXRM-CYBMUJFWSA-N 2 2 310.228 3.546 20 0 DHADLP c1ccc2c(c1)cncc2C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000768239836 1022925335 /nfs/dbraw/zinc/92/53/35/1022925335.db2.gz PXAOAUVQORCDNX-UHFFFAOYSA-N 2 2 309.457 3.685 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1Cl ZINC000163805841 1022929640 /nfs/dbraw/zinc/92/96/40/1022929640.db2.gz IQWNYIQQKZWUEW-ZDUSSCGKSA-N 2 2 319.836 3.896 20 0 DHADLP FC1(F)CCCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000295091551 1022991772 /nfs/dbraw/zinc/99/17/72/1022991772.db2.gz JJNJUDGDHQQYSK-OAHLLOKOSA-N 2 2 305.372 3.787 20 0 DHADLP COc1ccc2cc(NCCC[N@@H+]3CCCC[C@H]3C)[nH+]cc2c1 ZINC001167751869 1023030113 /nfs/dbraw/zinc/03/01/13/1023030113.db2.gz PYCNQOQUHKZQFB-OAHLLOKOSA-N 2 2 313.445 3.920 20 0 DHADLP COc1ccc2cc(NCCC[N@H+]3CCCC[C@H]3C)[nH+]cc2c1 ZINC001167751869 1023030126 /nfs/dbraw/zinc/03/01/26/1023030126.db2.gz PYCNQOQUHKZQFB-OAHLLOKOSA-N 2 2 313.445 3.920 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)nc1 ZINC000181394691 1023083141 /nfs/dbraw/zinc/08/31/41/1023083141.db2.gz YYDHIFGOCRNCOG-CYBMUJFWSA-N 2 2 312.804 3.772 20 0 DHADLP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)co1 ZINC000769387857 1023138234 /nfs/dbraw/zinc/13/82/34/1023138234.db2.gz OPLLEKGHZCTBAT-HXUWFJFHSA-N 2 2 310.441 3.768 20 0 DHADLP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)co1 ZINC000769387857 1023138237 /nfs/dbraw/zinc/13/82/37/1023138237.db2.gz OPLLEKGHZCTBAT-HXUWFJFHSA-N 2 2 310.441 3.768 20 0 DHADLP c1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)co1 ZINC000769387857 1023138242 /nfs/dbraw/zinc/13/82/42/1023138242.db2.gz OPLLEKGHZCTBAT-HXUWFJFHSA-N 2 2 310.441 3.768 20 0 DHADLP c1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)co1 ZINC000769387857 1023138245 /nfs/dbraw/zinc/13/82/45/1023138245.db2.gz OPLLEKGHZCTBAT-HXUWFJFHSA-N 2 2 310.441 3.768 20 0 DHADLP COc1ccsc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000769964085 1023247541 /nfs/dbraw/zinc/24/75/41/1023247541.db2.gz WVPOPPLVOCKGRQ-OCCSQVGLSA-N 2 2 307.463 3.719 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000337656175 1033124855 /nfs/dbraw/zinc/12/48/55/1033124855.db2.gz HZTHTOPLUSPWDO-LJQANCHMSA-N 2 2 303.409 3.862 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000337656175 1033124861 /nfs/dbraw/zinc/12/48/61/1033124861.db2.gz HZTHTOPLUSPWDO-LJQANCHMSA-N 2 2 303.409 3.862 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC000771388778 1023431773 /nfs/dbraw/zinc/43/17/73/1023431773.db2.gz RUZDIKMWDYUZRL-OAHLLOKOSA-N 2 2 306.413 3.735 20 0 DHADLP Fc1cc(C[NH2+]Cc2cccc3c2CCC3)ccc1-n1cc[nH+]c1 ZINC000651687991 1023463307 /nfs/dbraw/zinc/46/33/07/1023463307.db2.gz XNGIQZCRPGDEBV-UHFFFAOYSA-N 2 2 321.399 3.790 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3c1c(F)ccc3F)CCC2 ZINC000337705933 1033145164 /nfs/dbraw/zinc/14/51/64/1033145164.db2.gz JLQKZEBVYOXXJT-BLLLJJGKSA-N 2 2 317.383 3.624 20 0 DHADLP CC[C@H](C)OCC[C@@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001172362557 1033141013 /nfs/dbraw/zinc/14/10/13/1033141013.db2.gz UHBAVFQRSMPOND-SJORKVTESA-N 2 2 319.493 3.542 20 0 DHADLP CC[C@@H](C)OCC[C@@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001172362555 1033142770 /nfs/dbraw/zinc/14/27/70/1033142770.db2.gz UHBAVFQRSMPOND-IAGOWNOFSA-N 2 2 319.493 3.542 20 0 DHADLP CC(C)CCC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001170057941 1023695589 /nfs/dbraw/zinc/69/55/89/1023695589.db2.gz QWJREITVYRVCFW-SFHVURJKSA-N 2 2 318.505 3.823 20 0 DHADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001170077154 1023812915 /nfs/dbraw/zinc/81/29/15/1023812915.db2.gz GPKDMVZQCKLTBO-DFQSSKMNSA-N 2 2 315.505 3.660 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788585768 1023910531 /nfs/dbraw/zinc/91/05/31/1023910531.db2.gz WZTNYIUCDAPRBA-RFQIPJPRSA-N 2 2 312.910 3.967 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788585768 1023910536 /nfs/dbraw/zinc/91/05/36/1023910536.db2.gz WZTNYIUCDAPRBA-RFQIPJPRSA-N 2 2 312.910 3.967 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000249437715 1023919220 /nfs/dbraw/zinc/91/92/20/1023919220.db2.gz IWWQJCUZXDOANM-HNJRGHQBSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000249437715 1023919230 /nfs/dbraw/zinc/91/92/30/1023919230.db2.gz IWWQJCUZXDOANM-HNJRGHQBSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccnc(Cl)c1 ZINC000162889401 1024008547 /nfs/dbraw/zinc/00/85/47/1024008547.db2.gz SXHXFFHCISHURJ-CYBMUJFWSA-N 2 2 304.825 3.673 20 0 DHADLP CSC(C)(C)CC[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000876922152 1033183065 /nfs/dbraw/zinc/18/30/65/1033183065.db2.gz XPAQNVNPRMVKBL-UHFFFAOYSA-N 2 2 303.475 3.553 20 0 DHADLP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001172399855 1033184372 /nfs/dbraw/zinc/18/43/72/1033184372.db2.gz HTSAACZKDPQECR-AABGKKOBSA-N 2 2 318.505 3.690 20 0 DHADLP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001172399855 1033184380 /nfs/dbraw/zinc/18/43/80/1033184380.db2.gz HTSAACZKDPQECR-AABGKKOBSA-N 2 2 318.505 3.690 20 0 DHADLP CC[C@@H](CC(C)C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001172398126 1033182174 /nfs/dbraw/zinc/18/21/74/1033182174.db2.gz SFFUZLWHOVFLOG-INIZCTEOSA-N 2 2 320.525 3.708 20 0 DHADLP CC[C@@H](CC(C)C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001172398126 1033182180 /nfs/dbraw/zinc/18/21/80/1033182180.db2.gz SFFUZLWHOVFLOG-INIZCTEOSA-N 2 2 320.525 3.708 20 0 DHADLP c1ccc2c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccnc2c1 ZINC000538798182 1033182489 /nfs/dbraw/zinc/18/24/89/1033182489.db2.gz QZXXDDKZQRGMGA-UTKZUKDTSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)ccnc2c1 ZINC000538798182 1033182497 /nfs/dbraw/zinc/18/24/97/1033182497.db2.gz QZXXDDKZQRGMGA-UTKZUKDTSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccnc2c1 ZINC000538798182 1033182505 /nfs/dbraw/zinc/18/25/05/1033182505.db2.gz QZXXDDKZQRGMGA-UTKZUKDTSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccnc2c1 ZINC000538798182 1033182514 /nfs/dbraw/zinc/18/25/14/1033182514.db2.gz QZXXDDKZQRGMGA-UTKZUKDTSA-N 2 2 321.468 3.684 20 0 DHADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC001170111503 1024120040 /nfs/dbraw/zinc/12/00/40/1024120040.db2.gz CTRHXSWKYKGDSD-RDTXWAMCSA-N 2 2 304.453 3.877 20 0 DHADLP COc1cccc2c1CC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000268822259 1024172068 /nfs/dbraw/zinc/17/20/68/1024172068.db2.gz HIPYCZDHCVLYSB-QGZVFWFLSA-N 2 2 311.429 3.559 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000268851751 1024178655 /nfs/dbraw/zinc/17/86/55/1024178655.db2.gz WMRBMEOJNLKJOM-RYUDHWBXSA-N 2 2 313.323 3.521 20 0 DHADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccsc3)CC2)cc1 ZINC000268855965 1024178937 /nfs/dbraw/zinc/17/89/37/1024178937.db2.gz XPFQCSWLSMIADG-UHFFFAOYSA-N 2 2 318.461 3.684 20 0 DHADLP Cc1cc(C(F)(F)F)cc(N(C)C2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000663380521 1024240906 /nfs/dbraw/zinc/24/09/06/1024240906.db2.gz ZBLZWFNQNXUQEW-UHFFFAOYSA-N 2 2 315.383 3.718 20 0 DHADLP CC(C)OCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001172439038 1033200403 /nfs/dbraw/zinc/20/04/03/1033200403.db2.gz WIEZQIGWJGSCDY-HKUYNNGSSA-N 2 2 304.478 3.617 20 0 DHADLP Clc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269766645 1024312527 /nfs/dbraw/zinc/31/25/27/1024312527.db2.gz MTARMCVNPMECDU-BLLLJJGKSA-N 2 2 301.821 3.930 20 0 DHADLP Clc1cccc2c1CC[C@H]2[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269766645 1024312540 /nfs/dbraw/zinc/31/25/40/1024312540.db2.gz MTARMCVNPMECDU-BLLLJJGKSA-N 2 2 301.821 3.930 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000453092239 1024325486 /nfs/dbraw/zinc/32/54/86/1024325486.db2.gz QQTNMIXIDGZMPC-ROUUACIJSA-N 2 2 303.494 3.503 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccsc2Cl)cn1 ZINC000790948501 1024402003 /nfs/dbraw/zinc/40/20/03/1024402003.db2.gz JRJRQXBMYUEUPG-UHFFFAOYSA-N 2 2 318.833 3.580 20 0 DHADLP CC(C)COCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001172456759 1033209607 /nfs/dbraw/zinc/20/96/07/1033209607.db2.gz IHVWILFRZIYWNR-QUCCMNQESA-N 2 2 318.505 3.864 20 0 DHADLP CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccncc1 ZINC000883387768 1024422062 /nfs/dbraw/zinc/42/20/62/1024422062.db2.gz DXAGBGIKRIYJHT-RBUKOAKNSA-N 2 2 306.413 3.760 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1O ZINC000453266894 1024433337 /nfs/dbraw/zinc/43/33/37/1024433337.db2.gz XTNQLXOHQOOXBO-RDJZCZTQSA-N 2 2 320.477 3.562 20 0 DHADLP Clc1cc2cccnc2c(C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458511 1024438607 /nfs/dbraw/zinc/43/86/07/1024438607.db2.gz MFCHLWLYNQBGLV-UHFFFAOYSA-N 2 2 315.848 3.606 20 0 DHADLP Clc1cc2cccnc2c(C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458511 1024438613 /nfs/dbraw/zinc/43/86/13/1024438613.db2.gz MFCHLWLYNQBGLV-UHFFFAOYSA-N 2 2 315.848 3.606 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC001207581290 1024438833 /nfs/dbraw/zinc/43/88/33/1024438833.db2.gz LTPHLSZQAGXUDX-HYXAFXHYSA-N 2 2 302.437 3.789 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000271190563 1024469129 /nfs/dbraw/zinc/46/91/29/1024469129.db2.gz LKCGVZIHMVYTEG-DZGCQCFKSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000271190563 1024469138 /nfs/dbraw/zinc/46/91/38/1024469138.db2.gz LKCGVZIHMVYTEG-DZGCQCFKSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000271190563 1024469145 /nfs/dbraw/zinc/46/91/45/1024469145.db2.gz LKCGVZIHMVYTEG-DZGCQCFKSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000271190563 1024469152 /nfs/dbraw/zinc/46/91/52/1024469152.db2.gz LKCGVZIHMVYTEG-DZGCQCFKSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502132 1024504337 /nfs/dbraw/zinc/50/43/37/1024504337.db2.gz XSOZXGJYXIUCQI-CJNGLKHVSA-N 2 2 315.486 3.911 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502131 1024504710 /nfs/dbraw/zinc/50/47/10/1024504710.db2.gz XSOZXGJYXIUCQI-BBRMVZONSA-N 2 2 315.486 3.911 20 0 DHADLP Cc1cccc(C)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000271491441 1024519640 /nfs/dbraw/zinc/51/96/40/1024519640.db2.gz ZZXGTUSVWSDJNK-UHFFFAOYSA-N 2 2 305.425 3.838 20 0 DHADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)nc1 ZINC000453426838 1024520641 /nfs/dbraw/zinc/52/06/41/1024520641.db2.gz OFYFJQGACNYZSU-RXVVDRJESA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)nc1 ZINC000453426838 1024520645 /nfs/dbraw/zinc/52/06/45/1024520645.db2.gz OFYFJQGACNYZSU-RXVVDRJESA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000271564369 1024541764 /nfs/dbraw/zinc/54/17/64/1024541764.db2.gz XNMQNLLVCRLDPM-IRXDYDNUSA-N 2 2 324.472 3.661 20 0 DHADLP Cc1ccc2c(Nc3c[nH+]ccc3N3CCOCC3)cccc2[nH+]1 ZINC001212796867 1024546159 /nfs/dbraw/zinc/54/61/59/1024546159.db2.gz JCCGVCZNNHYFED-UHFFFAOYSA-N 2 2 320.396 3.518 20 0 DHADLP CC(C)C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccs1 ZINC000925792304 1024557161 /nfs/dbraw/zinc/55/71/61/1024557161.db2.gz ATKSXYPDEFPGER-HZPDHXFCSA-N 2 2 322.518 3.584 20 0 DHADLP CO[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000283225554 1024613648 /nfs/dbraw/zinc/61/36/48/1024613648.db2.gz SZNONRWKGMUZRL-GOEBONIOSA-N 2 2 319.836 3.630 20 0 DHADLP CO[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000283225554 1024613656 /nfs/dbraw/zinc/61/36/56/1024613656.db2.gz SZNONRWKGMUZRL-GOEBONIOSA-N 2 2 319.836 3.630 20 0 DHADLP CCCO[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000108392131 1024640094 /nfs/dbraw/zinc/64/00/94/1024640094.db2.gz UNIJJECPLFBUHG-LJQANCHMSA-N 2 2 313.445 3.653 20 0 DHADLP CCCO[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000108392131 1024640097 /nfs/dbraw/zinc/64/00/97/1024640097.db2.gz UNIJJECPLFBUHG-LJQANCHMSA-N 2 2 313.445 3.653 20 0 DHADLP CC[C@@H]([NH2+][C@H](C)C[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000348268287 1024641641 /nfs/dbraw/zinc/64/16/41/1024641641.db2.gz DPLLXQHEHIJESM-AUUYWEPGSA-N 2 2 300.446 3.839 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Oc2ccccc2)o1 ZINC000349370792 1024707514 /nfs/dbraw/zinc/70/75/14/1024707514.db2.gz SKUKEZHXSOBDIE-UHFFFAOYSA-N 2 2 311.385 3.791 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Oc2ccccc2)o1 ZINC000349370792 1024707526 /nfs/dbraw/zinc/70/75/26/1024707526.db2.gz SKUKEZHXSOBDIE-UHFFFAOYSA-N 2 2 311.385 3.791 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)CC1CCC(C(F)(F)F)CC1 ZINC000349373866 1024709875 /nfs/dbraw/zinc/70/98/75/1024709875.db2.gz XGYAVTKZBLJDBQ-UHFFFAOYSA-N 2 2 303.372 3.574 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)CC1CCC(C(F)(F)F)CC1 ZINC000349373866 1024709892 /nfs/dbraw/zinc/70/98/92/1024709892.db2.gz XGYAVTKZBLJDBQ-UHFFFAOYSA-N 2 2 303.372 3.574 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccco2)s1 ZINC000349382639 1024711662 /nfs/dbraw/zinc/71/16/62/1024711662.db2.gz KGQOQIUMASAULC-UHFFFAOYSA-N 2 2 307.463 3.567 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccco2)s1 ZINC000349382639 1024711671 /nfs/dbraw/zinc/71/16/71/1024711671.db2.gz KGQOQIUMASAULC-UHFFFAOYSA-N 2 2 307.463 3.567 20 0 DHADLP Cc1[nH+]cn([C@@H](C)Cc2ccccc2Cl)c1CSCC[NH3+] ZINC001170253572 1024724149 /nfs/dbraw/zinc/72/41/49/1024724149.db2.gz AQPCWKIQUOYURF-LBPRGKRZSA-N 2 2 323.893 3.841 20 0 DHADLP Cc1cccc(C)c1OCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000112698137 1024781744 /nfs/dbraw/zinc/78/17/44/1024781744.db2.gz BDDJRQKASGBLIZ-UHFFFAOYSA-N 2 2 313.445 3.606 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc(CO)cc(C)[nH+]2)cc1 ZINC000663699409 1024822188 /nfs/dbraw/zinc/82/21/88/1024822188.db2.gz JAJYPKNYGMDTFF-CQSZACIVSA-N 2 2 322.412 3.550 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000350615306 1024829394 /nfs/dbraw/zinc/82/93/94/1024829394.db2.gz DJPAKFMPPUKYMK-HXUWFJFHSA-N 2 2 317.436 3.937 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000350615306 1024829417 /nfs/dbraw/zinc/82/94/17/1024829417.db2.gz DJPAKFMPPUKYMK-HXUWFJFHSA-N 2 2 317.436 3.937 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000119650123 1024984612 /nfs/dbraw/zinc/98/46/12/1024984612.db2.gz OVEWOKBGHKVMEK-ZDUSSCGKSA-N 2 2 324.415 3.874 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119716550 1024992098 /nfs/dbraw/zinc/99/20/98/1024992098.db2.gz AYLHJAGZQIQFGR-LBPRGKRZSA-N 2 2 308.853 3.626 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001168186636 1025012779 /nfs/dbraw/zinc/01/27/79/1025012779.db2.gz CAWPXQSUWLIAJF-CQSZACIVSA-N 2 2 303.837 3.805 20 0 DHADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2sccc2Br)C1 ZINC000037644639 1025056061 /nfs/dbraw/zinc/05/60/61/1025056061.db2.gz CMMNYTXBTCBONU-WDEREUQCSA-N 2 2 317.296 3.503 20 0 DHADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2sccc2Br)C1 ZINC000037644639 1025056072 /nfs/dbraw/zinc/05/60/72/1025056072.db2.gz CMMNYTXBTCBONU-WDEREUQCSA-N 2 2 317.296 3.503 20 0 DHADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC[NH+]1CCCC1 ZINC001172564546 1033259169 /nfs/dbraw/zinc/25/91/69/1033259169.db2.gz IRITWUZFIQMYEL-GFCCVEGCSA-N 2 2 316.823 3.625 20 0 DHADLP C[NH+](CCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1)Cc1ccco1 ZINC000353557519 1025129008 /nfs/dbraw/zinc/12/90/08/1025129008.db2.gz UZDFSFQSFRGLCM-HNNXBMFYSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@H+](C)C[C@H]1CCCC(F)(F)C1)Cc1ccco1 ZINC000353557519 1025129014 /nfs/dbraw/zinc/12/90/14/1025129014.db2.gz UZDFSFQSFRGLCM-HNNXBMFYSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H]1CCCC(F)(F)C1 ZINC000353557519 1025129022 /nfs/dbraw/zinc/12/90/22/1025129022.db2.gz UZDFSFQSFRGLCM-HNNXBMFYSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H]1CCCC(F)(F)C1 ZINC000353557519 1025129031 /nfs/dbraw/zinc/12/90/31/1025129031.db2.gz UZDFSFQSFRGLCM-HNNXBMFYSA-N 2 2 314.420 3.859 20 0 DHADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000279692577 1025156894 /nfs/dbraw/zinc/15/68/94/1025156894.db2.gz IHKKFWLPBQTHEE-QFBILLFUSA-N 2 2 313.445 3.640 20 0 DHADLP COc1ccc(C[NH+]2CCC([NH2+]C3CCC(C)CC3)CC2)cc1 ZINC001168196714 1025241144 /nfs/dbraw/zinc/24/11/44/1025241144.db2.gz NRBUYLAYZIBGGI-UHFFFAOYSA-N 2 2 316.489 3.828 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000320257844 1025286896 /nfs/dbraw/zinc/28/68/96/1025286896.db2.gz BZADGQXFEUIKSS-BEFAXECRSA-N 2 2 312.457 3.983 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000320257844 1025286904 /nfs/dbraw/zinc/28/69/04/1025286904.db2.gz BZADGQXFEUIKSS-BEFAXECRSA-N 2 2 312.457 3.983 20 0 DHADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000353973075 1025307221 /nfs/dbraw/zinc/30/72/21/1025307221.db2.gz PLCWKDRMQCIVRK-MOPGFXCFSA-N 2 2 322.468 3.757 20 0 DHADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000353973075 1025307225 /nfs/dbraw/zinc/30/72/25/1025307225.db2.gz PLCWKDRMQCIVRK-MOPGFXCFSA-N 2 2 322.468 3.757 20 0 DHADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000353977520 1025311653 /nfs/dbraw/zinc/31/16/53/1025311653.db2.gz ZVENUKPBIMPHGX-SJORKVTESA-N 2 2 320.477 3.619 20 0 DHADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000353977520 1025311660 /nfs/dbraw/zinc/31/16/60/1025311660.db2.gz ZVENUKPBIMPHGX-SJORKVTESA-N 2 2 320.477 3.619 20 0 DHADLP Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000301074753 1025317101 /nfs/dbraw/zinc/31/71/01/1025317101.db2.gz XTPPNDFTDAXJFG-UHFFFAOYSA-N 2 2 324.472 3.985 20 0 DHADLP Cc1coc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000885956153 1025417288 /nfs/dbraw/zinc/41/72/88/1025417288.db2.gz KNTWDIXDXRWIKC-OAHLLOKOSA-N 2 2 304.459 3.651 20 0 DHADLP Cc1coc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000885956153 1025417295 /nfs/dbraw/zinc/41/72/95/1025417295.db2.gz KNTWDIXDXRWIKC-OAHLLOKOSA-N 2 2 304.459 3.651 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCS2 ZINC000222015156 1025585774 /nfs/dbraw/zinc/58/57/74/1025585774.db2.gz YGOGTQNBUQGKOT-OAGGEKHMSA-N 2 2 306.450 3.579 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CCS2 ZINC000222015156 1025585783 /nfs/dbraw/zinc/58/57/83/1025585783.db2.gz YGOGTQNBUQGKOT-OAGGEKHMSA-N 2 2 306.450 3.579 20 0 DHADLP CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000806154558 1025814784 /nfs/dbraw/zinc/81/47/84/1025814784.db2.gz HSSOAGQVCOEHBI-BEFAXECRSA-N 2 2 301.478 3.818 20 0 DHADLP Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000411288846 1025921373 /nfs/dbraw/zinc/92/13/73/1025921373.db2.gz FQRQXCCTRANCKN-JCGIZDLHSA-N 2 2 311.404 3.511 20 0 DHADLP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000411288846 1025921389 /nfs/dbraw/zinc/92/13/89/1025921389.db2.gz FQRQXCCTRANCKN-JCGIZDLHSA-N 2 2 311.404 3.511 20 0 DHADLP Cc1cc(C(F)(F)F)cc(NC2CC[NH+](C3CCC3)CC2)[nH+]1 ZINC000663982572 1025926084 /nfs/dbraw/zinc/92/60/84/1025926084.db2.gz YUVJVIGEMSEOOV-UHFFFAOYSA-N 2 2 313.367 3.838 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000237372708 1026014289 /nfs/dbraw/zinc/01/42/89/1026014289.db2.gz QZEVEIZXEWGDCC-BEFAXECRSA-N 2 2 321.424 3.938 20 0 DHADLP CCOCCC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000090722766 1026084844 /nfs/dbraw/zinc/08/48/44/1026084844.db2.gz FYJVIFGZLUSEJP-MRXNPFEDSA-N 2 2 313.445 3.730 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(CC(C)C)s2)[C@@H](C)C1 ZINC000245780118 1026210993 /nfs/dbraw/zinc/21/09/93/1026210993.db2.gz UCYUYRWABVGICY-HOCLYGCPSA-N 2 2 309.523 3.504 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(CC(C)C)s2)[C@@H](C)C1 ZINC000245780118 1026211003 /nfs/dbraw/zinc/21/10/03/1026211003.db2.gz UCYUYRWABVGICY-HOCLYGCPSA-N 2 2 309.523 3.504 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(CC(C)C)s2)[C@@H](C)C1 ZINC000245780118 1026211015 /nfs/dbraw/zinc/21/10/15/1026211015.db2.gz UCYUYRWABVGICY-HOCLYGCPSA-N 2 2 309.523 3.504 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(CC(C)C)s2)[C@@H](C)C1 ZINC000245780118 1026211024 /nfs/dbraw/zinc/21/10/24/1026211024.db2.gz UCYUYRWABVGICY-HOCLYGCPSA-N 2 2 309.523 3.504 20 0 DHADLP Cc1ccc(C[N@H+](CCc2c[nH+]cn2C)Cc2ccco2)s1 ZINC000289991495 1026268851 /nfs/dbraw/zinc/26/88/51/1026268851.db2.gz KMXKWYCJPRLITE-UHFFFAOYSA-N 2 2 315.442 3.628 20 0 DHADLP Cc1ccc(C[N@@H+](CCc2c[nH+]cn2C)Cc2ccco2)s1 ZINC000289991495 1026268861 /nfs/dbraw/zinc/26/88/61/1026268861.db2.gz KMXKWYCJPRLITE-UHFFFAOYSA-N 2 2 315.442 3.628 20 0 DHADLP Cl/C=C/C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747530970 1026405870 /nfs/dbraw/zinc/40/58/70/1026405870.db2.gz ARMQOFPEWRYNOA-DNXKIMQPSA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C/C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747530970 1026405871 /nfs/dbraw/zinc/40/58/71/1026405871.db2.gz ARMQOFPEWRYNOA-DNXKIMQPSA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C/C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747530970 1026405879 /nfs/dbraw/zinc/40/58/79/1026405879.db2.gz ARMQOFPEWRYNOA-DNXKIMQPSA-N 2 2 304.865 3.727 20 0 DHADLP Cl/C=C/C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747530970 1026405884 /nfs/dbraw/zinc/40/58/84/1026405884.db2.gz ARMQOFPEWRYNOA-DNXKIMQPSA-N 2 2 304.865 3.727 20 0 DHADLP Cc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)s1 ZINC000261632519 1026460906 /nfs/dbraw/zinc/46/09/06/1026460906.db2.gz CZJPCGBVKJVUAS-QGZVFWFLSA-N 2 2 315.486 3.596 20 0 DHADLP Cc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)s1 ZINC000261632519 1026460917 /nfs/dbraw/zinc/46/09/17/1026460917.db2.gz CZJPCGBVKJVUAS-QGZVFWFLSA-N 2 2 315.486 3.596 20 0 DHADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccoc2)c1 ZINC000809752717 1026616897 /nfs/dbraw/zinc/61/68/97/1026616897.db2.gz HLQPYOUJSDPLCK-UHFFFAOYSA-N 2 2 315.804 3.832 20 0 DHADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccoc2)c1 ZINC000809752717 1026616901 /nfs/dbraw/zinc/61/69/01/1026616901.db2.gz HLQPYOUJSDPLCK-UHFFFAOYSA-N 2 2 315.804 3.832 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000810146984 1026694026 /nfs/dbraw/zinc/69/40/26/1026694026.db2.gz BLGMWGGIAWPZBJ-IKESIWSLSA-N 2 2 324.415 3.765 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000810146984 1026694029 /nfs/dbraw/zinc/69/40/29/1026694029.db2.gz BLGMWGGIAWPZBJ-IKESIWSLSA-N 2 2 324.415 3.765 20 0 DHADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000237081169 1026795435 /nfs/dbraw/zinc/79/54/35/1026795435.db2.gz WXKPREOWDBRYPS-LLVKDONJSA-N 2 2 306.759 3.543 20 0 DHADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000237081169 1026795442 /nfs/dbraw/zinc/79/54/42/1026795442.db2.gz WXKPREOWDBRYPS-LLVKDONJSA-N 2 2 306.759 3.543 20 0 DHADLP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1Cl)[NH+]1CCCCC1 ZINC000811489817 1027011936 /nfs/dbraw/zinc/01/19/36/1027011936.db2.gz HYJFLIQLRSMTKR-GFCCVEGCSA-N 2 2 316.276 3.743 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)C(C)(C)C ZINC000811480279 1027017281 /nfs/dbraw/zinc/01/72/81/1027017281.db2.gz SDEPQAKXTPJUHD-LBPRGKRZSA-N 2 2 318.292 3.844 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1Cl ZINC000421819888 1027054881 /nfs/dbraw/zinc/05/48/81/1027054881.db2.gz JMGAZLWDWHTOPM-ZNMIVQPWSA-N 2 2 309.885 3.754 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1Cl ZINC000421819888 1027054882 /nfs/dbraw/zinc/05/48/82/1027054882.db2.gz JMGAZLWDWHTOPM-ZNMIVQPWSA-N 2 2 309.885 3.754 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccncc1Cl ZINC000421822011 1027056936 /nfs/dbraw/zinc/05/69/36/1027056936.db2.gz VIRZEIAUFGMYCC-HNNXBMFYSA-N 2 2 317.864 3.908 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccncc1Cl ZINC000421822011 1027056945 /nfs/dbraw/zinc/05/69/45/1027056945.db2.gz VIRZEIAUFGMYCC-HNNXBMFYSA-N 2 2 317.864 3.908 20 0 DHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000421862130 1027069933 /nfs/dbraw/zinc/06/99/33/1027069933.db2.gz VWUNLPBHALFDSO-JZIBPQBNSA-N 2 2 308.853 3.624 20 0 DHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000421862130 1027069939 /nfs/dbraw/zinc/06/99/39/1027069939.db2.gz VWUNLPBHALFDSO-JZIBPQBNSA-N 2 2 308.853 3.624 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000571622191 1027138462 /nfs/dbraw/zinc/13/84/62/1027138462.db2.gz PHLWPPXMTRJDNY-GJZGRUSLSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000571622191 1027138470 /nfs/dbraw/zinc/13/84/70/1027138470.db2.gz PHLWPPXMTRJDNY-GJZGRUSLSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512444 1027149772 /nfs/dbraw/zinc/14/97/72/1027149772.db2.gz ZILAZCFHBYAPDE-LLVKDONJSA-N 2 2 321.346 3.802 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512444 1027149777 /nfs/dbraw/zinc/14/97/77/1027149777.db2.gz ZILAZCFHBYAPDE-LLVKDONJSA-N 2 2 321.346 3.802 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170673346 1027236530 /nfs/dbraw/zinc/23/65/30/1027236530.db2.gz MTOCURAFKVEDMO-RHSMWYFYSA-N 2 2 322.443 3.532 20 0 DHADLP CCc1ccc2[nH+]ccc(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000295480986 1027298857 /nfs/dbraw/zinc/29/88/57/1027298857.db2.gz JHHTXNPXCRJFPF-UHFFFAOYSA-N 2 2 306.413 3.835 20 0 DHADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)s1 ZINC000362709798 1027352779 /nfs/dbraw/zinc/35/27/79/1027352779.db2.gz GCXVGLRUPIJBAK-GFCCVEGCSA-N 2 2 321.515 3.828 20 0 DHADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422870361 1027353975 /nfs/dbraw/zinc/35/39/75/1027353975.db2.gz YQDMFGZVVGJHJA-OLZOCXBDSA-N 2 2 313.426 3.526 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCC2)c2ccccc21 ZINC000422910767 1027357267 /nfs/dbraw/zinc/35/72/67/1027357267.db2.gz JCVFVKMMCLFIQJ-RBUKOAKNSA-N 2 2 308.425 3.852 20 0 DHADLP C[C@@H]([NH2+][C@H](c1cc2ccccc2o1)c1ccccc1)C1C[NH2+]C1 ZINC000422930882 1027366712 /nfs/dbraw/zinc/36/67/12/1027366712.db2.gz WJKVHEJMMRVYON-VLIAUNLRSA-N 2 2 306.409 3.720 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(OC(F)F)c2)c2ccccc21 ZINC000422944650 1027374485 /nfs/dbraw/zinc/37/44/85/1027374485.db2.gz LTLBMPZFAUTBBK-HOTGVXAUSA-N 2 2 304.340 3.522 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)c2ccccc21 ZINC000422951307 1027380267 /nfs/dbraw/zinc/38/02/67/1027380267.db2.gz XYBDFXDQAHQQGM-SQNIBIBYSA-N 2 2 312.388 3.774 20 0 DHADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423052156 1027408297 /nfs/dbraw/zinc/40/82/97/1027408297.db2.gz PWHYKFUXUWXWFS-JBBXEZCESA-N 2 2 312.461 3.742 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Oc2cccnc2)cc1 ZINC000423118591 1027417476 /nfs/dbraw/zinc/41/74/76/1027417476.db2.gz BLFNJFBKINSUCL-VCBZYWHSSA-N 2 2 311.429 3.665 20 0 DHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423116850 1027417920 /nfs/dbraw/zinc/41/79/20/1027417920.db2.gz RTKCSGFGIAOQOX-OKZBNKHCSA-N 2 2 312.388 3.556 20 0 DHADLP C[C@H]([NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423100328 1027418510 /nfs/dbraw/zinc/41/85/10/1027418510.db2.gz GQOKNASULIPGTB-VHSSKADRSA-N 2 2 322.880 3.538 20 0 DHADLP Cc1[nH+]cn(-c2ccc(NC3CC[NH+](CC4CC4)CC3)cc2)c1C ZINC000574735257 1027422734 /nfs/dbraw/zinc/42/27/34/1027422734.db2.gz WSFDYUICJKUQBU-UHFFFAOYSA-N 2 2 324.472 3.775 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Oc2ccccc2)cn1 ZINC000295821890 1027445418 /nfs/dbraw/zinc/44/54/18/1027445418.db2.gz DIZMIENHEJDKMF-JKSUJKDBSA-N 2 2 322.412 3.810 20 0 DHADLP c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCC[NH2+]C2)CCC3)cc1 ZINC000423182263 1027446838 /nfs/dbraw/zinc/44/68/38/1027446838.db2.gz GPJSDKGQPXQMRM-LSDHHAIUSA-N 2 2 313.470 3.529 20 0 DHADLP C[NH2+]CCC[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423201601 1027452451 /nfs/dbraw/zinc/45/24/51/1027452451.db2.gz PBELYSCUABOABV-KRWDZBQOSA-N 2 2 306.812 3.768 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423194301 1027452517 /nfs/dbraw/zinc/45/25/17/1027452517.db2.gz RFDFSRYDVRZWAR-LPHOPBHVSA-N 2 2 310.441 3.668 20 0 DHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423193375 1027452758 /nfs/dbraw/zinc/45/27/58/1027452758.db2.gz QMFRPJKGGKAIKR-XHDPSFHLSA-N 2 2 319.449 3.660 20 0 DHADLP Cc1ccc2cc([C@@H](C)[NH2+]CCC[NH2+]Cc3cccnc3)oc2c1 ZINC000423194251 1027453469 /nfs/dbraw/zinc/45/34/69/1027453469.db2.gz YREWOYVSMOKRSJ-MRXNPFEDSA-N 2 2 323.440 3.967 20 0 DHADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000423236005 1027456422 /nfs/dbraw/zinc/45/64/22/1027456422.db2.gz HBPHYTOZXGPORC-LRDDRELGSA-N 2 2 324.346 3.936 20 0 DHADLP Cc1nsc(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000575244118 1027468612 /nfs/dbraw/zinc/46/86/12/1027468612.db2.gz WEMYLZCHICMYRC-RHSMWYFYSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nsc(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000575244118 1027468622 /nfs/dbraw/zinc/46/86/22/1027468622.db2.gz WEMYLZCHICMYRC-RHSMWYFYSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nsc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000575244118 1027468626 /nfs/dbraw/zinc/46/86/26/1027468626.db2.gz WEMYLZCHICMYRC-RHSMWYFYSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nsc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000575244118 1027468634 /nfs/dbraw/zinc/46/86/34/1027468634.db2.gz WEMYLZCHICMYRC-RHSMWYFYSA-N 2 2 321.534 3.846 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423231363 1027469212 /nfs/dbraw/zinc/46/92/12/1027469212.db2.gz ATVRGYJKBZRRIG-GBESFXJTSA-N 2 2 304.478 3.605 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000423242955 1027472380 /nfs/dbraw/zinc/47/23/80/1027472380.db2.gz MKAFCEUFDOZDQB-BLLLJJGKSA-N 2 2 304.434 3.898 20 0 DHADLP COCCC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423251461 1027475369 /nfs/dbraw/zinc/47/53/69/1027475369.db2.gz WGVLLULHGJBHBV-MOPGFXCFSA-N 2 2 316.420 3.583 20 0 DHADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423246085 1027475790 /nfs/dbraw/zinc/47/57/90/1027475790.db2.gz JVMREDYFTGMUCP-UGSOOPFHSA-N 2 2 304.384 3.576 20 0 DHADLP CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)c1ccccc1OC(F)F ZINC000423258584 1027479279 /nfs/dbraw/zinc/47/92/79/1027479279.db2.gz CAEBNUWAMVWTLQ-JSGCOSHPSA-N 2 2 300.393 3.702 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295915098 1027488055 /nfs/dbraw/zinc/48/80/55/1027488055.db2.gz JMIQLCBEADNWAZ-PRTUASRFSA-N 2 2 308.853 3.624 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295915098 1027488065 /nfs/dbraw/zinc/48/80/65/1027488065.db2.gz JMIQLCBEADNWAZ-PRTUASRFSA-N 2 2 308.853 3.624 20 0 DHADLP [NH3+][C@H](C[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21)C1CC1 ZINC000423314914 1027497851 /nfs/dbraw/zinc/49/78/51/1027497851.db2.gz IDJUFEBWWNKXNV-CHWSQXEVSA-N 2 2 315.244 3.534 20 0 DHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2cccs2)cc1 ZINC000423329371 1027511915 /nfs/dbraw/zinc/51/19/15/1027511915.db2.gz LKYGDTVQATZNRZ-XOKHGSTOSA-N 2 2 316.470 3.553 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423371795 1027522712 /nfs/dbraw/zinc/52/27/12/1027522712.db2.gz FTYDNDSHVYFEBZ-IAQYHMDHSA-N 2 2 300.368 3.744 20 0 DHADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(SCC(F)F)cc1 ZINC000423366250 1027524963 /nfs/dbraw/zinc/52/49/63/1027524963.db2.gz QBKWRXJGIUHXAM-XUJVJEKNSA-N 2 2 314.445 3.692 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000423402107 1027537924 /nfs/dbraw/zinc/53/79/24/1027537924.db2.gz RGHWQGWUIGKDBJ-ITMYJUKJSA-N 2 2 305.224 3.781 20 0 DHADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423438728 1027552806 /nfs/dbraw/zinc/55/28/06/1027552806.db2.gz HFCZULXDRJLJJR-SRVKXCTJSA-N 2 2 308.372 3.828 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423498230 1027564673 /nfs/dbraw/zinc/56/46/73/1027564673.db2.gz HVBLGOZSHOXXPD-XOBRGWDASA-N 2 2 310.441 3.630 20 0 DHADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423482977 1027571512 /nfs/dbraw/zinc/57/15/12/1027571512.db2.gz XQAFJGWXEQYTBS-JOYOIKCWSA-N 2 2 303.233 3.534 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H]1CCCNc2ccccc21 ZINC000423495659 1027574889 /nfs/dbraw/zinc/57/48/89/1027574889.db2.gz CIFCHKLTVHTQKA-ICSRJNTNSA-N 2 2 309.457 3.785 20 0 DHADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000423533902 1027577329 /nfs/dbraw/zinc/57/73/29/1027577329.db2.gz UPGPZDGBBAVDKX-XJKSGUPXSA-N 2 2 315.486 3.978 20 0 DHADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423542332 1027583676 /nfs/dbraw/zinc/58/36/76/1027583676.db2.gz ATBNVBRLTGBODV-JSGCOSHPSA-N 2 2 314.445 3.837 20 0 DHADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1csc(-c2ccccc2)n1 ZINC000423550414 1027586872 /nfs/dbraw/zinc/58/68/72/1027586872.db2.gz IJXZEDPEIFMYPE-ZDUSSCGKSA-N 2 2 301.459 3.603 20 0 DHADLP CC[NH+](CC)C1CC[NH+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170702787 1027594508 /nfs/dbraw/zinc/59/45/08/1027594508.db2.gz UCWWZAKEEIUVCG-KRWDZBQOSA-N 2 2 322.443 3.628 20 0 DHADLP CC[NH+](CC)C1CC[NH+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170702790 1027594775 /nfs/dbraw/zinc/59/47/75/1027594775.db2.gz UCWWZAKEEIUVCG-QGZVFWFLSA-N 2 2 322.443 3.628 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1Cl ZINC000158652853 1027605705 /nfs/dbraw/zinc/60/57/05/1027605705.db2.gz MMLNNDAWCUQGAZ-ZNMIVQPWSA-N 2 2 309.885 3.754 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1Cl ZINC000158652853 1027605709 /nfs/dbraw/zinc/60/57/09/1027605709.db2.gz MMLNNDAWCUQGAZ-ZNMIVQPWSA-N 2 2 309.885 3.754 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576554786 1027631574 /nfs/dbraw/zinc/63/15/74/1027631574.db2.gz BWXIDNIXPWNYSF-QWRGUYRKSA-N 2 2 309.866 3.593 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCCOCC2)[NH+](CC)CC)cc1 ZINC000577128996 1027711150 /nfs/dbraw/zinc/71/11/50/1027711150.db2.gz QVIMLJQXTMHUQD-UXHICEINSA-N 2 2 318.505 3.791 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCC[C@@H](c3ccccc3)C1)C2 ZINC000577249886 1027734585 /nfs/dbraw/zinc/73/45/85/1027734585.db2.gz JJCHKFRUIOWZPH-KZNAEPCWSA-N 2 2 309.457 3.973 20 0 DHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)C1CCCC1 ZINC000527512837 1027738912 /nfs/dbraw/zinc/73/89/12/1027738912.db2.gz IIKYKTYXKBZNED-INIZCTEOSA-N 2 2 301.478 3.737 20 0 DHADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170715151 1027778696 /nfs/dbraw/zinc/77/86/96/1027778696.db2.gz KZEDUGIJHVDNKB-QGZVFWFLSA-N 2 2 322.443 3.627 20 0 DHADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170715151 1027778711 /nfs/dbraw/zinc/77/87/11/1027778711.db2.gz KZEDUGIJHVDNKB-QGZVFWFLSA-N 2 2 322.443 3.627 20 0 DHADLP Cc1cc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000527694754 1027830124 /nfs/dbraw/zinc/83/01/24/1027830124.db2.gz KLPFBIPRUQXQNM-FQEVSTJZSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1cc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000527694754 1027830146 /nfs/dbraw/zinc/83/01/46/1027830146.db2.gz KLPFBIPRUQXQNM-FQEVSTJZSA-N 2 2 309.457 3.534 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527812635 1027896417 /nfs/dbraw/zinc/89/64/17/1027896417.db2.gz VOTHERBEPDRTCM-ZBCRRDGASA-N 2 2 318.427 3.962 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527812635 1027896439 /nfs/dbraw/zinc/89/64/39/1027896439.db2.gz VOTHERBEPDRTCM-ZBCRRDGASA-N 2 2 318.427 3.962 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000527805475 1027906939 /nfs/dbraw/zinc/90/69/39/1027906939.db2.gz AORYAMIZGOPSPF-IDOMTICXSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000527805475 1027906950 /nfs/dbraw/zinc/90/69/50/1027906950.db2.gz AORYAMIZGOPSPF-IDOMTICXSA-N 2 2 306.400 3.585 20 0 DHADLP COC1(C[C@@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000365401008 1027938933 /nfs/dbraw/zinc/93/89/33/1027938933.db2.gz CIJRTOZYXZGOHV-OAHLLOKOSA-N 2 2 322.518 3.650 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc2c(c1)COC2 ZINC000527946581 1027980640 /nfs/dbraw/zinc/98/06/40/1027980640.db2.gz HQJPJRDGJVKRLN-QRWLVFNGSA-N 2 2 314.473 3.774 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc2c(c1)COC2 ZINC000527946581 1027980653 /nfs/dbraw/zinc/98/06/53/1027980653.db2.gz HQJPJRDGJVKRLN-QRWLVFNGSA-N 2 2 314.473 3.774 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528008552 1028038090 /nfs/dbraw/zinc/03/80/90/1028038090.db2.gz FLIPRJOZWPGZNK-VQIMIIECSA-N 2 2 316.489 3.623 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528008552 1028038104 /nfs/dbraw/zinc/03/81/04/1028038104.db2.gz FLIPRJOZWPGZNK-VQIMIIECSA-N 2 2 316.489 3.623 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528008549 1028040038 /nfs/dbraw/zinc/04/00/38/1028040038.db2.gz FLIPRJOZWPGZNK-QFBILLFUSA-N 2 2 316.489 3.623 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528008549 1028040056 /nfs/dbraw/zinc/04/00/56/1028040056.db2.gz FLIPRJOZWPGZNK-QFBILLFUSA-N 2 2 316.489 3.623 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000366183828 1028058094 /nfs/dbraw/zinc/05/80/94/1028058094.db2.gz NTNOQNPUVQSZNK-HNNXBMFYSA-N 2 2 319.399 3.812 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000366183828 1028058119 /nfs/dbraw/zinc/05/81/19/1028058119.db2.gz NTNOQNPUVQSZNK-HNNXBMFYSA-N 2 2 319.399 3.812 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1)CCC2 ZINC000366209497 1028061672 /nfs/dbraw/zinc/06/16/72/1028061672.db2.gz KUAGLAJPQGATSL-STQMWFEESA-N 2 2 305.372 3.698 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCSc3ccccc31)CCC2 ZINC000366212198 1028062933 /nfs/dbraw/zinc/06/29/33/1028062933.db2.gz VQJWDZGTWVQQCL-GOEBONIOSA-N 2 2 313.470 3.896 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000578216805 1028091515 /nfs/dbraw/zinc/09/15/15/1028091515.db2.gz IWWQJCUZXDOANM-CUDHKJQZSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000578216805 1028091537 /nfs/dbraw/zinc/09/15/37/1028091537.db2.gz IWWQJCUZXDOANM-CUDHKJQZSA-N 2 2 316.489 3.587 20 0 DHADLP c1ccc(C[N@@H+]2CCC3(C2)CCN(c2cccc[nH+]2)CC3)cc1 ZINC000367176375 1028145773 /nfs/dbraw/zinc/14/57/73/1028145773.db2.gz KEXHVXFXEGPPIZ-UHFFFAOYSA-N 2 2 307.441 3.574 20 0 DHADLP c1ccc(C[N@H+]2CCC3(C2)CCN(c2cccc[nH+]2)CC3)cc1 ZINC000367176375 1028145785 /nfs/dbraw/zinc/14/57/85/1028145785.db2.gz KEXHVXFXEGPPIZ-UHFFFAOYSA-N 2 2 307.441 3.574 20 0 DHADLP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000449061465 1028296165 /nfs/dbraw/zinc/29/61/65/1028296165.db2.gz GFYBMADIBXAUAM-FUHWJXTLSA-N 2 2 317.864 3.928 20 0 DHADLP CC(C)[C@H](CSc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101848 1028300641 /nfs/dbraw/zinc/30/06/41/1028300641.db2.gz VRZXQRPSNYCHLS-KSSFIOAISA-N 2 2 315.486 3.674 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000449051969 1028316895 /nfs/dbraw/zinc/31/68/95/1028316895.db2.gz YLQFOLKWUUXLGU-AZUAARDMSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000449051969 1028316907 /nfs/dbraw/zinc/31/69/07/1028316907.db2.gz YLQFOLKWUUXLGU-AZUAARDMSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000449051969 1028316910 /nfs/dbraw/zinc/31/69/10/1028316910.db2.gz YLQFOLKWUUXLGU-AZUAARDMSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000449051969 1028316924 /nfs/dbraw/zinc/31/69/24/1028316924.db2.gz YLQFOLKWUUXLGU-AZUAARDMSA-N 2 2 324.468 3.765 20 0 DHADLP Cc1cccnc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449069154 1028331618 /nfs/dbraw/zinc/33/16/18/1028331618.db2.gz DXHWLUVEAPBYCA-GOSISDBHSA-N 2 2 323.484 3.575 20 0 DHADLP CSCC1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000449100054 1028352126 /nfs/dbraw/zinc/35/21/26/1028352126.db2.gz VRHLMVLLQFEYBQ-UHFFFAOYSA-N 2 2 315.486 3.884 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1cncc(F)c1 ZINC000368446176 1028355343 /nfs/dbraw/zinc/35/53/43/1028355343.db2.gz UWEZXKZJJUWFNT-ZDUSSCGKSA-N 2 2 319.449 3.597 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccs3)CC2)CS1 ZINC000368460221 1028357627 /nfs/dbraw/zinc/35/76/27/1028357627.db2.gz AKOBCOKJWXMWSW-RDJZCZTQSA-N 2 2 324.559 3.832 20 0 DHADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000449140700 1028394188 /nfs/dbraw/zinc/39/41/88/1028394188.db2.gz JWVVCVLAWGFLHZ-JFIYKMOQSA-N 2 2 303.494 3.706 20 0 DHADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000449140700 1028394199 /nfs/dbraw/zinc/39/41/99/1028394199.db2.gz JWVVCVLAWGFLHZ-JFIYKMOQSA-N 2 2 303.494 3.706 20 0 DHADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449138788 1028394401 /nfs/dbraw/zinc/39/44/01/1028394401.db2.gz DJDZCPJKGSQBPH-HFCFLWKCSA-N 2 2 308.510 3.721 20 0 DHADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449138788 1028394417 /nfs/dbraw/zinc/39/44/17/1028394417.db2.gz DJDZCPJKGSQBPH-HFCFLWKCSA-N 2 2 308.510 3.721 20 0 DHADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000449155886 1028409495 /nfs/dbraw/zinc/40/94/95/1028409495.db2.gz CHYZQHLDPGFXFI-BBRMVZONSA-N 2 2 321.515 3.686 20 0 DHADLP Cc1cnc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000449155886 1028409505 /nfs/dbraw/zinc/40/95/05/1028409505.db2.gz CHYZQHLDPGFXFI-BBRMVZONSA-N 2 2 321.515 3.686 20 0 DHADLP CSCC1CCC([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000449172652 1028415325 /nfs/dbraw/zinc/41/53/25/1028415325.db2.gz WCBVHMAFNVCHNX-HWOWSKLDSA-N 2 2 307.507 3.580 20 0 DHADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000449222704 1028463603 /nfs/dbraw/zinc/46/36/03/1028463603.db2.gz IKNXHGYIYDETRU-CYBMUJFWSA-N 2 2 321.346 3.578 20 0 DHADLP C[N@H+](Cc1ccc(Cl)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000369903775 1028544947 /nfs/dbraw/zinc/54/49/47/1028544947.db2.gz BWRRRXBSNAUPPA-UHFFFAOYSA-N 2 2 315.848 3.836 20 0 DHADLP C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000369903775 1028544957 /nfs/dbraw/zinc/54/49/57/1028544957.db2.gz BWRRRXBSNAUPPA-UHFFFAOYSA-N 2 2 315.848 3.836 20 0 DHADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)CC1CCCCC1 ZINC000370172240 1028574015 /nfs/dbraw/zinc/57/40/15/1028574015.db2.gz JWVGIZQCEDBXCM-OALUTQOASA-N 2 2 301.478 3.587 20 0 DHADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)CC1CCCCC1 ZINC000370172240 1028574026 /nfs/dbraw/zinc/57/40/26/1028574026.db2.gz JWVGIZQCEDBXCM-OALUTQOASA-N 2 2 301.478 3.587 20 0 DHADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)CC1CCCCC1 ZINC000370172240 1028574037 /nfs/dbraw/zinc/57/40/37/1028574037.db2.gz JWVGIZQCEDBXCM-OALUTQOASA-N 2 2 301.478 3.587 20 0 DHADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)CC1CCCCC1 ZINC000370172240 1028574047 /nfs/dbraw/zinc/57/40/47/1028574047.db2.gz JWVGIZQCEDBXCM-OALUTQOASA-N 2 2 301.478 3.587 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccsc2S1 ZINC000565451951 1028589766 /nfs/dbraw/zinc/58/97/66/1028589766.db2.gz WJKCZHMFGMMDNY-KWBADKCTSA-N 2 2 305.472 3.544 20 0 DHADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC(C)(F)F)ccc1OC ZINC000815644585 1028590401 /nfs/dbraw/zinc/59/04/01/1028590401.db2.gz GMIQGKJBVSBIMM-ZDUSSCGKSA-N 2 2 314.420 3.843 20 0 DHADLP Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000370403227 1028598806 /nfs/dbraw/zinc/59/88/06/1028598806.db2.gz DNVQRDYCTOSHDG-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000370403227 1028598815 /nfs/dbraw/zinc/59/88/15/1028598815.db2.gz DNVQRDYCTOSHDG-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1cc(C)cc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000370403227 1028598829 /nfs/dbraw/zinc/59/88/29/1028598829.db2.gz DNVQRDYCTOSHDG-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1cc(C)cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000370403227 1028598837 /nfs/dbraw/zinc/59/88/37/1028598837.db2.gz DNVQRDYCTOSHDG-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000370682568 1028637096 /nfs/dbraw/zinc/63/70/96/1028637096.db2.gz PWDCAJSMYUVELG-HOTGVXAUSA-N 2 2 313.445 3.737 20 0 DHADLP C[C@]1(C[NH2+]C2CC(C(F)F)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000779192607 1028672159 /nfs/dbraw/zinc/67/21/59/1028672159.db2.gz FNLHCLKWRPPTTJ-LEOMRAHMSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@]1(C[NH2+]C2CC(C(F)F)C2)CCC[N@H+]1Cc1ccccc1 ZINC000779192607 1028672173 /nfs/dbraw/zinc/67/21/73/1028672173.db2.gz FNLHCLKWRPPTTJ-LEOMRAHMSA-N 2 2 308.416 3.674 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)Cc1ccc(Cl)cc1)CCC2 ZINC000371426599 1028710104 /nfs/dbraw/zinc/71/01/04/1028710104.db2.gz QNFJPESGCTUPQF-BBRMVZONSA-N 2 2 317.864 3.943 20 0 DHADLP CCC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000373185672 1028971536 /nfs/dbraw/zinc/97/15/36/1028971536.db2.gz KQMQSMCJJQLOOX-ZQIUZPCESA-N 2 2 309.523 3.688 20 0 DHADLP CCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000373185672 1028971549 /nfs/dbraw/zinc/97/15/49/1028971549.db2.gz KQMQSMCJJQLOOX-ZQIUZPCESA-N 2 2 309.523 3.688 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]CC3CCCCC3)C2)CC1 ZINC000373486029 1029061313 /nfs/dbraw/zinc/06/13/13/1029061313.db2.gz QEFYSVHPAKDEJQ-UHFFFAOYSA-N 2 2 318.427 3.962 20 0 DHADLP Cc1c([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cnn1C(C)(C)C ZINC000373518585 1029067457 /nfs/dbraw/zinc/06/74/57/1029067457.db2.gz DCSIGFQXZSROGE-OOHWJJMZSA-N 2 2 318.509 3.614 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1N(C)C ZINC000373524445 1029071289 /nfs/dbraw/zinc/07/12/89/1029071289.db2.gz SIXMXPIEUFXLSA-ODIFPOPNSA-N 2 2 319.468 3.559 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC=C(c4cccnc4)CC3)cc2)c[nH+]1 ZINC000374308454 1029287324 /nfs/dbraw/zinc/28/73/24/1029287324.db2.gz JVODOCZTDXJPOI-UHFFFAOYSA-N 2 2 316.408 3.557 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC=C(c4cccnc4)CC3)cc2)c[nH+]1 ZINC000374308454 1029287339 /nfs/dbraw/zinc/28/73/39/1029287339.db2.gz JVODOCZTDXJPOI-UHFFFAOYSA-N 2 2 316.408 3.557 20 0 DHADLP c1ccc(NCCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)[nH+]c1 ZINC000374325934 1029292504 /nfs/dbraw/zinc/29/25/04/1029292504.db2.gz NOPBCCIOHICBMM-FUHWJXTLSA-N 2 2 310.445 3.595 20 0 DHADLP CC[NH2+]CC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000817953203 1029293910 /nfs/dbraw/zinc/29/39/10/1029293910.db2.gz XCHHKMSJJCVAOO-AWEZNQCLSA-N 2 2 300.418 3.578 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817954418 1029294425 /nfs/dbraw/zinc/29/44/25/1029294425.db2.gz COSJGQOEHORQHN-MEBBXXQBSA-N 2 2 324.255 3.926 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1SC(C)(C)C ZINC000817981586 1029318258 /nfs/dbraw/zinc/31/82/58/1029318258.db2.gz LRGUAJAUMMCYQF-CABCVRRESA-N 2 2 322.518 3.606 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCS2 ZINC000629517548 1029355938 /nfs/dbraw/zinc/35/59/38/1029355938.db2.gz UXLBWJCIKYDBCR-WBVHZDCISA-N 2 2 302.487 3.715 20 0 DHADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629548286 1029363953 /nfs/dbraw/zinc/36/39/53/1029363953.db2.gz NEWPILFOEVTYDM-USXIJHARSA-N 2 2 300.471 3.680 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529539915 1029379749 /nfs/dbraw/zinc/37/97/49/1029379749.db2.gz BVOUVRAXLBPLPM-UONOGXRCSA-N 2 2 323.431 3.630 20 0 DHADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657330 1029408785 /nfs/dbraw/zinc/40/87/85/1029408785.db2.gz WRCYEXSQYKBGHZ-GXTWGEPZSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629657330 1029408775 /nfs/dbraw/zinc/40/87/75/1029408775.db2.gz WRCYEXSQYKBGHZ-GXTWGEPZSA-N 2 2 320.786 3.608 20 0 DHADLP C[C@H]1C[C@@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC[N@@H+]1C ZINC000450353924 1029409871 /nfs/dbraw/zinc/40/98/71/1029409871.db2.gz HZLFWLJUDPTFNP-FZMZJTMJSA-N 2 2 323.362 4.148 20 0 DHADLP C[C@H]1C[C@@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC[N@H+]1C ZINC000450353924 1029409879 /nfs/dbraw/zinc/40/98/79/1029409879.db2.gz HZLFWLJUDPTFNP-FZMZJTMJSA-N 2 2 323.362 4.148 20 0 DHADLP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)[C@H]2C1 ZINC000450430414 1029469261 /nfs/dbraw/zinc/46/92/61/1029469261.db2.gz RQFCQNMUZVPVLK-GTNSWQLSSA-N 2 2 319.811 3.558 20 0 DHADLP C[N@H+]1CC[C@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)[C@H]2C1 ZINC000450430414 1029469264 /nfs/dbraw/zinc/46/92/64/1029469264.db2.gz RQFCQNMUZVPVLK-GTNSWQLSSA-N 2 2 319.811 3.558 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450631941 1029589665 /nfs/dbraw/zinc/58/96/65/1029589665.db2.gz JCTNAIYJRLCXPO-GSXXRBPTSA-N 2 2 309.457 3.778 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450631941 1029589669 /nfs/dbraw/zinc/58/96/69/1029589669.db2.gz JCTNAIYJRLCXPO-GSXXRBPTSA-N 2 2 309.457 3.778 20 0 DHADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450784315 1029652373 /nfs/dbraw/zinc/65/23/73/1029652373.db2.gz IKPRCVOPLSBRFI-HUUCEWRRSA-N 2 2 323.431 3.834 20 0 DHADLP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450784315 1029652384 /nfs/dbraw/zinc/65/23/84/1029652384.db2.gz IKPRCVOPLSBRFI-HUUCEWRRSA-N 2 2 323.431 3.834 20 0 DHADLP COc1cccc2c(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c(C)c[nH+]c12 ZINC000450827710 1029688238 /nfs/dbraw/zinc/68/82/38/1029688238.db2.gz KXJPVFGTMNNEBU-GOOCMWNKSA-N 2 2 311.429 3.589 20 0 DHADLP COc1cccc2c(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(C)c[nH+]c12 ZINC000450827710 1029688243 /nfs/dbraw/zinc/68/82/43/1029688243.db2.gz KXJPVFGTMNNEBU-GOOCMWNKSA-N 2 2 311.429 3.589 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(OC(F)(F)F)c1 ZINC000530220533 1029781349 /nfs/dbraw/zinc/78/13/49/1029781349.db2.gz OJAHYMFQRXOMDY-BXUZGUMPSA-N 2 2 314.351 3.520 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(-c2ccncc2)c1 ZINC000530223496 1029783084 /nfs/dbraw/zinc/78/30/84/1029783084.db2.gz SQKYLRJGCNWDPJ-DNVCBOLYSA-N 2 2 307.441 3.684 20 0 DHADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000121796706 1029840476 /nfs/dbraw/zinc/84/04/76/1029840476.db2.gz PSQJPZVSDOWGHS-INIZCTEOSA-N 2 2 308.853 3.546 20 0 DHADLP CC[C@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000530529663 1029882313 /nfs/dbraw/zinc/88/23/13/1029882313.db2.gz BZPABJIHKPBBQX-MFNGEMCRSA-N 2 2 318.427 3.960 20 0 DHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C(C)C)cc1 ZINC000357128646 1029903978 /nfs/dbraw/zinc/90/39/78/1029903978.db2.gz CCIOOOPGZDZPSI-UHFFFAOYSA-N 2 2 301.434 3.583 20 0 DHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C(C)C)cc1 ZINC000357128646 1029903991 /nfs/dbraw/zinc/90/39/91/1029903991.db2.gz CCIOOOPGZDZPSI-UHFFFAOYSA-N 2 2 301.434 3.583 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451658065 1029966815 /nfs/dbraw/zinc/96/68/15/1029966815.db2.gz XBTUVSRTVHXJBQ-SFHVURJKSA-N 2 2 313.470 3.508 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451658065 1029966821 /nfs/dbraw/zinc/96/68/21/1029966821.db2.gz XBTUVSRTVHXJBQ-SFHVURJKSA-N 2 2 313.470 3.508 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c2cccnc2)cc1 ZINC000924524784 1030113995 /nfs/dbraw/zinc/11/39/95/1030113995.db2.gz CFHIOLVQTGEDNI-LJQANCHMSA-N 2 2 311.473 3.657 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc2ccccc21 ZINC000924649047 1030150450 /nfs/dbraw/zinc/15/04/50/1030150450.db2.gz NZWPJZFDBCCAKF-HUUCEWRRSA-N 2 2 309.413 3.784 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000245866811 1030165018 /nfs/dbraw/zinc/16/50/18/1030165018.db2.gz LLXXVSAKYPLGGK-KSSFIOAISA-N 2 2 313.420 3.501 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000245866811 1030165027 /nfs/dbraw/zinc/16/50/27/1030165027.db2.gz LLXXVSAKYPLGGK-KSSFIOAISA-N 2 2 313.420 3.501 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)ccc1Cl ZINC000557522786 1030173744 /nfs/dbraw/zinc/17/37/44/1030173744.db2.gz BZZSWYRMEGILNC-ABAIWWIYSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)ccc1Cl ZINC000557522786 1030173750 /nfs/dbraw/zinc/17/37/50/1030173750.db2.gz BZZSWYRMEGILNC-ABAIWWIYSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)ccc1Cl ZINC000557522786 1030173725 /nfs/dbraw/zinc/17/37/25/1030173725.db2.gz BZZSWYRMEGILNC-ABAIWWIYSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)ccc1Cl ZINC000557522786 1030173738 /nfs/dbraw/zinc/17/37/38/1030173738.db2.gz BZZSWYRMEGILNC-ABAIWWIYSA-N 2 2 301.261 3.765 20 0 DHADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3cccc4cccc2c43)CCOCC1 ZINC000866266763 1030190762 /nfs/dbraw/zinc/19/07/62/1030190762.db2.gz QRNJTUAMYUIXRC-IBGZPJMESA-N 2 2 324.468 3.528 20 0 DHADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]CCCCNc2cccc[nH+]2)nc1 ZINC000924928235 1030226882 /nfs/dbraw/zinc/22/68/82/1030226882.db2.gz VZVJCKKPZRUUGO-HKUYNNGSSA-N 2 2 324.472 3.670 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccnn1C1CCC1 ZINC000924928741 1030228283 /nfs/dbraw/zinc/22/82/83/1030228283.db2.gz ZCURJXKPDNWANO-OAHLLOKOSA-N 2 2 313.449 3.546 20 0 DHADLP CCc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000925012370 1030248499 /nfs/dbraw/zinc/24/84/99/1030248499.db2.gz UYTSCBPASBYRLA-GHTZIAJQSA-N 2 2 323.484 3.665 20 0 DHADLP CCc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000925012370 1030248509 /nfs/dbraw/zinc/24/85/09/1030248509.db2.gz UYTSCBPASBYRLA-GHTZIAJQSA-N 2 2 323.484 3.665 20 0 DHADLP COc1ccnc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000925207992 1030306041 /nfs/dbraw/zinc/30/60/41/1030306041.db2.gz RRGNMRJWYWBDBO-OAHLLOKOSA-N 2 2 317.477 3.538 20 0 DHADLP CSc1ccccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000358076908 1030314229 /nfs/dbraw/zinc/31/42/29/1030314229.db2.gz NBIHEQBVLHXGDT-OAHLLOKOSA-N 2 2 315.486 3.597 20 0 DHADLP CSc1ccccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000358076908 1030314237 /nfs/dbraw/zinc/31/42/37/1030314237.db2.gz NBIHEQBVLHXGDT-OAHLLOKOSA-N 2 2 315.486 3.597 20 0 DHADLP [NH3+]CCC[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000925599661 1030416574 /nfs/dbraw/zinc/41/65/74/1030416574.db2.gz BJNRLGCPPHTDSH-SFHVURJKSA-N 2 2 310.445 3.574 20 0 DHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(F)n2)CC1 ZINC000824028055 1030455656 /nfs/dbraw/zinc/45/56/56/1030455656.db2.gz UEEZEMKJEDOEDS-UHFFFAOYSA-N 2 2 321.484 3.990 20 0 DHADLP CCC1([NH3+])CC[NH+]([C@H](C)c2sccc2Br)CC1 ZINC000925756630 1030482388 /nfs/dbraw/zinc/48/23/88/1030482388.db2.gz NJNSZEKIZJKYGL-SNVBAGLBSA-N 2 2 317.296 3.775 20 0 DHADLP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925765070 1030487111 /nfs/dbraw/zinc/48/71/11/1030487111.db2.gz DHAWMPIKZLGCNY-SQNIBIBYSA-N 2 2 324.424 3.643 20 0 DHADLP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CCO2)cc1 ZINC000926180146 1030642992 /nfs/dbraw/zinc/64/29/92/1030642992.db2.gz ILSXLRDWYFTKNJ-WTGUMLROSA-N 2 2 314.473 3.513 20 0 DHADLP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CCO2)cc1 ZINC000926180146 1030642996 /nfs/dbraw/zinc/64/29/96/1030642996.db2.gz ILSXLRDWYFTKNJ-WTGUMLROSA-N 2 2 314.473 3.513 20 0 DHADLP CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000291822892 1030656649 /nfs/dbraw/zinc/65/66/49/1030656649.db2.gz DRBOVGGYLZTDGZ-CYBMUJFWSA-N 2 2 324.428 3.890 20 0 DHADLP C[C@H](Cc1ccccn1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000926216371 1030659854 /nfs/dbraw/zinc/65/98/54/1030659854.db2.gz IYYMDDOADPTXFS-UTKZUKDTSA-N 2 2 323.484 3.513 20 0 DHADLP C[C@H](Cc1ccccn1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000926216371 1030659865 /nfs/dbraw/zinc/65/98/65/1030659865.db2.gz IYYMDDOADPTXFS-UTKZUKDTSA-N 2 2 323.484 3.513 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2cncc(Cl)c2)C2CCCC2)CC1 ZINC001136999488 1030738880 /nfs/dbraw/zinc/73/88/80/1030738880.db2.gz ZHKZGOSSFILTEH-UHFFFAOYSA-N 2 2 307.869 3.574 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2cncc(Cl)c2)C2CCCC2)CC1 ZINC001136999488 1030738894 /nfs/dbraw/zinc/73/88/94/1030738894.db2.gz ZHKZGOSSFILTEH-UHFFFAOYSA-N 2 2 307.869 3.574 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cncc(Cl)c1 ZINC001136996304 1030741094 /nfs/dbraw/zinc/74/10/94/1030741094.db2.gz ABXPYNXLSJIOPV-DLBZAZTESA-N 2 2 307.869 3.574 20 0 DHADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cncc(Cl)c1 ZINC001136996304 1030741111 /nfs/dbraw/zinc/74/11/11/1030741111.db2.gz ABXPYNXLSJIOPV-DLBZAZTESA-N 2 2 307.869 3.574 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cncc(Cl)c1 ZINC001136996304 1030741128 /nfs/dbraw/zinc/74/11/28/1030741128.db2.gz ABXPYNXLSJIOPV-DLBZAZTESA-N 2 2 307.869 3.574 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cncc(Cl)c1 ZINC001136996304 1030741142 /nfs/dbraw/zinc/74/11/42/1030741142.db2.gz ABXPYNXLSJIOPV-DLBZAZTESA-N 2 2 307.869 3.574 20 0 DHADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248839261 1030769788 /nfs/dbraw/zinc/76/97/88/1030769788.db2.gz FDLLAPNUTVWDRI-OGWHTMIXSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248839261 1030769803 /nfs/dbraw/zinc/76/98/03/1030769803.db2.gz FDLLAPNUTVWDRI-OGWHTMIXSA-N 2 2 315.505 3.706 20 0 DHADLP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccnc2)cc1 ZINC000926540350 1030789988 /nfs/dbraw/zinc/78/99/88/1030789988.db2.gz IGVKRYADYWLTJV-VTHDOGFWSA-N 2 2 321.468 3.694 20 0 DHADLP Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccnc2)cc1 ZINC000926540350 1030789993 /nfs/dbraw/zinc/78/99/93/1030789993.db2.gz IGVKRYADYWLTJV-VTHDOGFWSA-N 2 2 321.468 3.694 20 0 DHADLP Cc1ccc(C(F)(F)F)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC001143680401 1030902475 /nfs/dbraw/zinc/90/24/75/1030902475.db2.gz ANTGPLVIKWXBTK-INIZCTEOSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1ccc(C(F)(F)F)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC001143680401 1030902488 /nfs/dbraw/zinc/90/24/88/1030902488.db2.gz ANTGPLVIKWXBTK-INIZCTEOSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001143680401 1030902499 /nfs/dbraw/zinc/90/24/99/1030902499.db2.gz ANTGPLVIKWXBTK-INIZCTEOSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC001143680401 1030902508 /nfs/dbraw/zinc/90/25/08/1030902508.db2.gz ANTGPLVIKWXBTK-INIZCTEOSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000926754754 1030905962 /nfs/dbraw/zinc/90/59/62/1030905962.db2.gz RWAGMMSQUMJZIP-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000926754754 1030905976 /nfs/dbraw/zinc/90/59/76/1030905976.db2.gz RWAGMMSQUMJZIP-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP C[NH+](C)CCC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000359374158 1030935314 /nfs/dbraw/zinc/93/53/14/1030935314.db2.gz BMPHSHXQPHFTAM-SNVBAGLBSA-N 2 2 307.290 3.974 20 0 DHADLP [NH3+]CCC[N@H+](Cc1cnc(C2CCC2)s1)Cc1ccccc1 ZINC000359460056 1030977776 /nfs/dbraw/zinc/97/77/76/1030977776.db2.gz QXYZZTRGCFMJSX-UHFFFAOYSA-N 2 2 315.486 3.762 20 0 DHADLP [NH3+]CCC[N@@H+](Cc1cnc(C2CCC2)s1)Cc1ccccc1 ZINC000359460056 1030977792 /nfs/dbraw/zinc/97/77/92/1030977792.db2.gz QXYZZTRGCFMJSX-UHFFFAOYSA-N 2 2 315.486 3.762 20 0 DHADLP CC(C)=CCC[C@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777614153 1031048950 /nfs/dbraw/zinc/04/89/50/1031048950.db2.gz AADXYNMLJOOJSB-KRWDZBQOSA-N 2 2 301.478 3.985 20 0 DHADLP CC(C)=CCC[C@@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777614158 1031049802 /nfs/dbraw/zinc/04/98/02/1031049802.db2.gz AADXYNMLJOOJSB-QGZVFWFLSA-N 2 2 301.478 3.985 20 0 DHADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(Cl)c3Cl)C[C@@H]21 ZINC000261770383 1031059563 /nfs/dbraw/zinc/05/95/63/1031059563.db2.gz DQRUBGAALHJVIM-INTQDDNPSA-N 2 2 305.274 3.614 20 0 DHADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(Cl)c3Cl)C[C@@H]21 ZINC000261770383 1031059582 /nfs/dbraw/zinc/05/95/82/1031059582.db2.gz DQRUBGAALHJVIM-INTQDDNPSA-N 2 2 305.274 3.614 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000261818181 1031068906 /nfs/dbraw/zinc/06/89/06/1031068906.db2.gz PDVVFTIGIVQSLD-GOSISDBHSA-N 2 2 315.486 3.543 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000261818181 1031068926 /nfs/dbraw/zinc/06/89/26/1031068926.db2.gz PDVVFTIGIVQSLD-GOSISDBHSA-N 2 2 315.486 3.543 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc2ccccc21 ZINC000927110203 1031094989 /nfs/dbraw/zinc/09/49/89/1031094989.db2.gz SWFIDRBNJWPGFT-QFBILLFUSA-N 2 2 324.468 3.744 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)c1cccc2ccccc21 ZINC000927110203 1031095005 /nfs/dbraw/zinc/09/50/05/1031095005.db2.gz SWFIDRBNJWPGFT-QFBILLFUSA-N 2 2 324.468 3.744 20 0 DHADLP COc1cccc2cc([C@H](C)[NH2+]CCCCn3cc[nH+]c3)oc21 ZINC000321404531 1031121791 /nfs/dbraw/zinc/12/17/91/1031121791.db2.gz IMJIUTAJQAVXHG-AWEZNQCLSA-N 2 2 313.401 3.769 20 0 DHADLP Clc1ccc2c(c1)CC[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001171134909 1031221767 /nfs/dbraw/zinc/22/17/67/1031221767.db2.gz HPCTYTDWCNMILB-WBVHZDCISA-N 2 2 315.848 3.734 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000360041470 1031253810 /nfs/dbraw/zinc/25/38/10/1031253810.db2.gz XZSJOSXGLOYVPC-HOTGVXAUSA-N 2 2 306.413 3.684 20 0 DHADLP c1ccn(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)c1 ZINC001144238877 1031342260 /nfs/dbraw/zinc/34/22/60/1031342260.db2.gz ZAMXVKQLCDYAGM-UHFFFAOYSA-N 2 2 309.457 3.538 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872061061 1031454720 /nfs/dbraw/zinc/45/47/20/1031454720.db2.gz VLKSHZWCNHDOCA-QLFBSQMISA-N 2 2 320.452 3.835 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000872061061 1031454724 /nfs/dbraw/zinc/45/47/24/1031454724.db2.gz VLKSHZWCNHDOCA-QLFBSQMISA-N 2 2 320.452 3.835 20 0 DHADLP CCc1cccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001144323406 1031463642 /nfs/dbraw/zinc/46/36/42/1031463642.db2.gz AQPKCOROYWCYND-UHFFFAOYSA-N 2 2 304.453 3.647 20 0 DHADLP Cc1ccccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006011 1031480077 /nfs/dbraw/zinc/48/00/77/1031480077.db2.gz UQHAGBPXQRQKEG-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP Cc1ccccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006011 1031480083 /nfs/dbraw/zinc/48/00/83/1031480083.db2.gz UQHAGBPXQRQKEG-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCCOC1 ZINC000872090696 1031487306 /nfs/dbraw/zinc/48/73/06/1031487306.db2.gz CNWCKJVBHIZTFF-NEWSRXKRSA-N 2 2 308.510 3.578 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCCOC1 ZINC000872090696 1031487317 /nfs/dbraw/zinc/48/73/17/1031487317.db2.gz CNWCKJVBHIZTFF-NEWSRXKRSA-N 2 2 308.510 3.578 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCCOC1 ZINC000872090698 1031488019 /nfs/dbraw/zinc/48/80/19/1031488019.db2.gz CNWCKJVBHIZTFF-UHOSZYNNSA-N 2 2 308.510 3.578 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCCOC1 ZINC000872090698 1031488027 /nfs/dbraw/zinc/48/80/27/1031488027.db2.gz CNWCKJVBHIZTFF-UHOSZYNNSA-N 2 2 308.510 3.578 20 0 DHADLP COCC1(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000293561110 1031518962 /nfs/dbraw/zinc/51/89/62/1031518962.db2.gz AOTKONFBQXUVMC-MRXNPFEDSA-N 2 2 313.445 3.730 20 0 DHADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(-c2ccccc2)o1 ZINC000929724277 1031590915 /nfs/dbraw/zinc/59/09/15/1031590915.db2.gz YXLBUKZXFUQCOW-QGZVFWFLSA-N 2 2 313.445 3.648 20 0 DHADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(-c2ccccc2)o1 ZINC000929724277 1031590927 /nfs/dbraw/zinc/59/09/27/1031590927.db2.gz YXLBUKZXFUQCOW-QGZVFWFLSA-N 2 2 313.445 3.648 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnc(-c2ccccc2)o1 ZINC000929724277 1031590937 /nfs/dbraw/zinc/59/09/37/1031590937.db2.gz YXLBUKZXFUQCOW-QGZVFWFLSA-N 2 2 313.445 3.648 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnc(-c2ccccc2)o1 ZINC000929724277 1031590946 /nfs/dbraw/zinc/59/09/46/1031590946.db2.gz YXLBUKZXFUQCOW-QGZVFWFLSA-N 2 2 313.445 3.648 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929812380 1031614271 /nfs/dbraw/zinc/61/42/71/1031614271.db2.gz HAGAOYIYFKLIHS-XMTFNYHQSA-N 2 2 320.427 3.594 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929812380 1031614278 /nfs/dbraw/zinc/61/42/78/1031614278.db2.gz HAGAOYIYFKLIHS-XMTFNYHQSA-N 2 2 320.427 3.594 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929812380 1031614286 /nfs/dbraw/zinc/61/42/86/1031614286.db2.gz HAGAOYIYFKLIHS-XMTFNYHQSA-N 2 2 320.427 3.594 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929812380 1031614292 /nfs/dbraw/zinc/61/42/92/1031614292.db2.gz HAGAOYIYFKLIHS-XMTFNYHQSA-N 2 2 320.427 3.594 20 0 DHADLP Cc1cccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000537457520 1031621866 /nfs/dbraw/zinc/62/18/66/1031621866.db2.gz HDVDHBZWFDWFIK-VQIMIIECSA-N 2 2 324.472 3.703 20 0 DHADLP Cn1ccc(C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)c1 ZINC000897568571 1031629079 /nfs/dbraw/zinc/62/90/79/1031629079.db2.gz LXCZIGBAGNWENH-UHFFFAOYSA-N 2 2 323.484 3.612 20 0 DHADLP Cc1[nH]c(C[NH2+][C@H](COc2ccccc2)c2ccccc2)c(C)[nH+]1 ZINC000930218787 1031743251 /nfs/dbraw/zinc/74/32/51/1031743251.db2.gz BAOIPJMANYYVDJ-HXUWFJFHSA-N 2 2 321.424 3.936 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296657 1031792604 /nfs/dbraw/zinc/79/26/04/1031792604.db2.gz KTSLWTRJEHUUEZ-VCTAVGKDSA-N 2 2 321.346 3.896 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296658 1031793064 /nfs/dbraw/zinc/79/30/64/1031793064.db2.gz KTSLWTRJEHUUEZ-VQISRLSMSA-N 2 2 321.346 3.896 20 0 DHADLP c1noc(C2CC2)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000361241697 1031809583 /nfs/dbraw/zinc/80/95/83/1031809583.db2.gz XCHXAXOFOZMUPO-INIZCTEOSA-N 2 2 317.477 3.640 20 0 DHADLP c1noc(C2CC2)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000361241697 1031809596 /nfs/dbraw/zinc/80/95/96/1031809596.db2.gz XCHXAXOFOZMUPO-INIZCTEOSA-N 2 2 317.477 3.640 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)(C)C ZINC000361246922 1031812688 /nfs/dbraw/zinc/81/26/88/1031812688.db2.gz TZNJWTGOKSANGD-SZMVWBNQSA-N 2 2 303.494 3.706 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)(C)C ZINC000361246922 1031812706 /nfs/dbraw/zinc/81/27/06/1031812706.db2.gz TZNJWTGOKSANGD-SZMVWBNQSA-N 2 2 303.494 3.706 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H]3CCOC34CCCCC4)c2)c[nH+]1 ZINC000897729191 1031826761 /nfs/dbraw/zinc/82/67/61/1031826761.db2.gz UQAIHMKUUFJMOM-MRXNPFEDSA-N 2 2 317.458 3.515 20 0 DHADLP C[C@@]1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@]1(F)Cl ZINC000846037317 1031830049 /nfs/dbraw/zinc/83/00/49/1031830049.db2.gz OBCCEWDSJXOJKE-HZPDHXFCSA-N 2 2 307.800 3.667 20 0 DHADLP COc1cccc2cc(C[NH+]3CCC([NH2+]C4CCC4)CC3)oc21 ZINC000897984675 1031911847 /nfs/dbraw/zinc/91/18/47/1031911847.db2.gz DAZHNVFQQCEKLZ-UHFFFAOYSA-N 2 2 314.429 3.548 20 0 DHADLP Clc1sccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000361542694 1031980506 /nfs/dbraw/zinc/98/05/06/1031980506.db2.gz FZRLIWCDTXHVGD-SWLSCSKDSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1sccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000361542694 1031980523 /nfs/dbraw/zinc/98/05/23/1031980523.db2.gz FZRLIWCDTXHVGD-SWLSCSKDSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1sccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000361542694 1031980537 /nfs/dbraw/zinc/98/05/37/1031980537.db2.gz FZRLIWCDTXHVGD-SWLSCSKDSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1sccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000361542694 1031980549 /nfs/dbraw/zinc/98/05/49/1031980549.db2.gz FZRLIWCDTXHVGD-SWLSCSKDSA-N 2 2 310.894 3.850 20 0 DHADLP CC(C)CCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000772951055 1032044615 /nfs/dbraw/zinc/04/46/15/1032044615.db2.gz SQXVZEOSHSCKKU-UHFFFAOYSA-N 2 2 303.494 3.747 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1cccc(F)c1 ZINC000361691576 1032056666 /nfs/dbraw/zinc/05/66/66/1032056666.db2.gz FIEAXQKZLGBELS-UHFFFAOYSA-N 2 2 309.388 3.952 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000361691576 1032056681 /nfs/dbraw/zinc/05/66/81/1032056681.db2.gz FIEAXQKZLGBELS-UHFFFAOYSA-N 2 2 309.388 3.952 20 0 DHADLP CC[NH+](CC)C1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172719487 1033327764 /nfs/dbraw/zinc/32/77/64/1033327764.db2.gz OMIXDDQTACCBSC-GOSISDBHSA-N 2 2 306.881 3.613 20 0 DHADLP COCC[N@H+](C1CC[NH+](C)CC1)C1CCC2(CCCC2)CC1 ZINC001172728990 1033332391 /nfs/dbraw/zinc/33/23/91/1033332391.db2.gz NPBIFROMWUQDJQ-UHFFFAOYSA-N 2 2 308.510 3.532 20 0 DHADLP COCC[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CCCC2)CC1 ZINC001172728990 1033332397 /nfs/dbraw/zinc/33/23/97/1033332397.db2.gz NPBIFROMWUQDJQ-UHFFFAOYSA-N 2 2 308.510 3.532 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1csc(-c2ccccc2F)n1 ZINC000643522794 1033341848 /nfs/dbraw/zinc/34/18/48/1033341848.db2.gz SORPHQKYXOIYEH-QWHCGFSZSA-N 2 2 319.449 3.742 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172710712 1033348405 /nfs/dbraw/zinc/34/84/05/1033348405.db2.gz LUADQBWTLKPCAA-RDTXWAMCSA-N 2 2 306.881 3.517 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927033245 1033368895 /nfs/dbraw/zinc/36/88/95/1033368895.db2.gz SGBLFOQMPNAEQT-FMKPAKJESA-N 2 2 301.459 3.807 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@@H]21 ZINC001172824952 1033387965 /nfs/dbraw/zinc/38/79/65/1033387965.db2.gz LUVOTKQQBBAWBP-MAHYXTOZSA-N 2 2 312.501 3.814 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@@H]21 ZINC001172824952 1033387968 /nfs/dbraw/zinc/38/79/68/1033387968.db2.gz LUVOTKQQBBAWBP-MAHYXTOZSA-N 2 2 312.501 3.814 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]21 ZINC001172824952 1033387973 /nfs/dbraw/zinc/38/79/73/1033387973.db2.gz LUVOTKQQBBAWBP-MAHYXTOZSA-N 2 2 312.501 3.814 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]21 ZINC001172824952 1033387979 /nfs/dbraw/zinc/38/79/79/1033387979.db2.gz LUVOTKQQBBAWBP-MAHYXTOZSA-N 2 2 312.501 3.814 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)CC2 ZINC001172826697 1033390726 /nfs/dbraw/zinc/39/07/26/1033390726.db2.gz XJQJPPCTPXAVSF-QFIPXVFZSA-N 2 2 320.480 3.574 20 0 DHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CC[NH+]1CCCCCC1 ZINC001172836837 1033399304 /nfs/dbraw/zinc/39/93/04/1033399304.db2.gz IJUDMGVPTWQJRR-AWEZNQCLSA-N 2 2 312.860 3.876 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172868585 1033407809 /nfs/dbraw/zinc/40/78/09/1033407809.db2.gz IRGLVCPKCXSLNU-OCCSQVGLSA-N 2 2 321.827 3.946 20 0 DHADLP C[C@@H](Cc1c(F)cccc1Cl)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001172838593 1033409504 /nfs/dbraw/zinc/40/95/04/1033409504.db2.gz XVQNPTOVJHZBSF-AWEZNQCLSA-N 2 2 320.839 3.871 20 0 DHADLP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001172838593 1033409514 /nfs/dbraw/zinc/40/95/14/1033409514.db2.gz XVQNPTOVJHZBSF-AWEZNQCLSA-N 2 2 320.839 3.871 20 0 DHADLP CCC1([NH+](C)C)CC[NH+](Cc2cc3cccc(OC)c3o2)CC1 ZINC000877689447 1033413210 /nfs/dbraw/zinc/41/32/10/1033413210.db2.gz GOMIWXXVHOKYOC-UHFFFAOYSA-N 2 2 316.445 3.748 20 0 DHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172859783 1033429589 /nfs/dbraw/zinc/42/95/89/1033429589.db2.gz WLGCHTFUGSLYIA-CJNGLKHVSA-N 2 2 312.860 3.730 20 0 DHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172859783 1033429603 /nfs/dbraw/zinc/42/96/03/1033429603.db2.gz WLGCHTFUGSLYIA-CJNGLKHVSA-N 2 2 312.860 3.730 20 0 DHADLP Cc1nc(C)c(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)s1 ZINC000877795137 1033454184 /nfs/dbraw/zinc/45/41/84/1033454184.db2.gz AJVBVVIZVWDAEV-UHFFFAOYSA-N 2 2 307.507 3.600 20 0 DHADLP CC1CC[NH+](CC[NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173192966 1033587370 /nfs/dbraw/zinc/58/73/70/1033587370.db2.gz NBTYWKGPLAOBAT-UHFFFAOYSA-N 2 2 316.489 3.698 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3ccc(Cl)cc3n2)CC[N@@H+]1C ZINC000878163818 1033604332 /nfs/dbraw/zinc/60/43/32/1033604332.db2.gz XAXNQAYVWRJZNT-CXAGYDPISA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3ccc(Cl)cc3n2)CC[N@H+]1C ZINC000878163818 1033604335 /nfs/dbraw/zinc/60/43/35/1033604335.db2.gz XAXNQAYVWRJZNT-CXAGYDPISA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3ccc(Cl)cc3n2)CC[NH+]1C ZINC000878163818 1033604338 /nfs/dbraw/zinc/60/43/38/1033604338.db2.gz XAXNQAYVWRJZNT-CXAGYDPISA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3ccc(Cl)cc3n2)CC[NH+]1C ZINC000878163818 1033604340 /nfs/dbraw/zinc/60/43/40/1033604340.db2.gz XAXNQAYVWRJZNT-CXAGYDPISA-N 2 2 317.864 3.803 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(F)(F)F)co2)C[C@H]1C ZINC000878163305 1033604955 /nfs/dbraw/zinc/60/49/55/1033604955.db2.gz PSDXEZFXRGJDRF-DGCLKSJQSA-N 2 2 304.356 3.603 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(F)(F)F)co2)C[C@H]1C ZINC000878163305 1033604962 /nfs/dbraw/zinc/60/49/62/1033604962.db2.gz PSDXEZFXRGJDRF-DGCLKSJQSA-N 2 2 304.356 3.603 20 0 DHADLP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC001173265360 1033635123 /nfs/dbraw/zinc/63/51/23/1033635123.db2.gz SRKYMXHHJOQUBX-APWZRJJASA-N 2 2 316.489 3.828 20 0 DHADLP CCc1ccc(C[C@H](C)[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001173239593 1033646965 /nfs/dbraw/zinc/64/69/65/1033646965.db2.gz IRKSCBPQXOETAW-KRWDZBQOSA-N 2 2 312.501 3.598 20 0 DHADLP CCc1ccc(C[C@H](C)[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001173239593 1033646972 /nfs/dbraw/zinc/64/69/72/1033646972.db2.gz IRKSCBPQXOETAW-KRWDZBQOSA-N 2 2 312.501 3.598 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878318987 1033657400 /nfs/dbraw/zinc/65/74/00/1033657400.db2.gz GRUBUWWTLITCNR-OALUTQOASA-N 2 2 313.445 3.515 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878318987 1033657407 /nfs/dbraw/zinc/65/74/07/1033657407.db2.gz GRUBUWWTLITCNR-OALUTQOASA-N 2 2 313.445 3.515 20 0 DHADLP CC[C@@H]1CC[C@@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001173278723 1033669354 /nfs/dbraw/zinc/66/93/54/1033669354.db2.gz MOPJIMPYLSYHFS-GVDBMIGSSA-N 2 2 318.509 3.679 20 0 DHADLP CC[C@@H]1CC[C@@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001173278723 1033669363 /nfs/dbraw/zinc/66/93/63/1033669363.db2.gz MOPJIMPYLSYHFS-GVDBMIGSSA-N 2 2 318.509 3.679 20 0 DHADLP CC[C@@H]1CC[C@@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001173278723 1033669374 /nfs/dbraw/zinc/66/93/74/1033669374.db2.gz MOPJIMPYLSYHFS-GVDBMIGSSA-N 2 2 318.509 3.679 20 0 DHADLP CC[C@@H]1CC[C@@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001173278723 1033669381 /nfs/dbraw/zinc/66/93/81/1033669381.db2.gz MOPJIMPYLSYHFS-GVDBMIGSSA-N 2 2 318.509 3.679 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878396050 1033689110 /nfs/dbraw/zinc/68/91/10/1033689110.db2.gz GCUGJSKDLITSGI-YJBOKZPZSA-N 2 2 311.429 3.625 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000339032625 1033753241 /nfs/dbraw/zinc/75/32/41/1033753241.db2.gz KTXOPVCQTLIZMB-UHFFFAOYSA-N 2 2 303.494 3.730 20 0 DHADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000175010626 1033973938 /nfs/dbraw/zinc/97/39/38/1033973938.db2.gz MTXCSHMBDZDLBF-NEPJUHHUSA-N 2 2 318.433 3.698 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000480249898 1034154207 /nfs/dbraw/zinc/15/42/07/1034154207.db2.gz QPLWPTLFYMUGSX-RBSFLKMASA-N 2 2 309.885 3.754 20 0 DHADLP c1cn(Cc2cccc(-c3cccc(C[NH2+]C4CC4)c3)c2)c[nH+]1 ZINC000863689518 1034175721 /nfs/dbraw/zinc/17/57/21/1034175721.db2.gz BUEDIBLLCUKCGH-UHFFFAOYSA-N 2 2 303.409 3.850 20 0 DHADLP c1cn(Cc2cccc(-c3ccc(C[C@H]4CC[NH2+]C4)cc3)c2)c[nH+]1 ZINC000863690174 1034176630 /nfs/dbraw/zinc/17/66/30/1034176630.db2.gz MEHVAYGJAVMTJF-GOSISDBHSA-N 2 2 317.436 3.750 20 0 DHADLP Cc1cc(-c2cccc(Cn3cc[nH+]c3)c2)cc2c1C[NH2+]CC2 ZINC000863690676 1034179558 /nfs/dbraw/zinc/17/95/58/1034179558.db2.gz UOVXOIPTQWCTFA-UHFFFAOYSA-N 2 2 303.409 3.553 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3c(Cl)n2)CC[N@@H+]1C ZINC000794558760 1034190685 /nfs/dbraw/zinc/19/06/85/1034190685.db2.gz BLMQZNSBZJJOQP-CZUORRHYSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3c(Cl)n2)CC[N@H+]1C ZINC000794558760 1034190688 /nfs/dbraw/zinc/19/06/88/1034190688.db2.gz BLMQZNSBZJJOQP-CZUORRHYSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3c(Cl)n2)CC[NH+]1C ZINC000794558760 1034190690 /nfs/dbraw/zinc/19/06/90/1034190690.db2.gz BLMQZNSBZJJOQP-CZUORRHYSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3c(Cl)n2)CC[NH+]1C ZINC000794558760 1034190694 /nfs/dbraw/zinc/19/06/94/1034190694.db2.gz BLMQZNSBZJJOQP-CZUORRHYSA-N 2 2 317.864 3.803 20 0 DHADLP COC1(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000480397857 1034231255 /nfs/dbraw/zinc/23/12/55/1034231255.db2.gz VJXGZZRUZRWIRT-MRXNPFEDSA-N 2 2 304.478 3.665 20 0 DHADLP Cc1[nH+]ccn1Cc1ccc(Nc2ccc3[nH+]ccn3c2)cc1 ZINC001174279040 1034271804 /nfs/dbraw/zinc/27/18/04/1034271804.db2.gz LPAPKLJFBSVVBD-UHFFFAOYSA-N 2 2 303.369 3.631 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(Cl)nc1 ZINC000179119544 1034284798 /nfs/dbraw/zinc/28/47/98/1034284798.db2.gz NVQXRSBIQNJDJF-CYBMUJFWSA-N 2 2 304.825 3.673 20 0 DHADLP c1cn2cccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)c2[nH+]1 ZINC001174393055 1034314628 /nfs/dbraw/zinc/31/46/28/1034314628.db2.gz PAXOSFPYKSZWBM-UHFFFAOYSA-N 2 2 304.397 3.536 20 0 DHADLP c1cn2cccc(NC3=CCC[N@H+](Cc4ccccc4)C3)c2[nH+]1 ZINC001174393055 1034314642 /nfs/dbraw/zinc/31/46/42/1034314642.db2.gz PAXOSFPYKSZWBM-UHFFFAOYSA-N 2 2 304.397 3.536 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OCC2CC2)c(F)c1 ZINC000179676517 1034324804 /nfs/dbraw/zinc/32/48/04/1034324804.db2.gz BSZZPTSWDVLIBC-CQSZACIVSA-N 2 2 317.408 3.552 20 0 DHADLP Clc1ccc([C@H]2CSCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000183179606 1034357539 /nfs/dbraw/zinc/35/75/39/1034357539.db2.gz MAEDPCGSGYEDDW-MRXNPFEDSA-N 2 2 321.877 3.717 20 0 DHADLP Clc1ccc([C@H]2CSCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000183179606 1034357552 /nfs/dbraw/zinc/35/75/52/1034357552.db2.gz MAEDPCGSGYEDDW-MRXNPFEDSA-N 2 2 321.877 3.717 20 0 DHADLP CC[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CC(F)F ZINC000880570247 1034363685 /nfs/dbraw/zinc/36/36/85/1034363685.db2.gz VDFFXCAYCKUDNV-ZBFHGGJFSA-N 2 2 307.388 3.895 20 0 DHADLP CO[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC000880569591 1034364174 /nfs/dbraw/zinc/36/41/74/1034364174.db2.gz LXMJYNAUJISLRN-WOJBJXKFSA-N 2 2 321.424 3.602 20 0 DHADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000480748736 1034427384 /nfs/dbraw/zinc/42/73/84/1034427384.db2.gz IJERBGUXOMXZFS-GFCCVEGCSA-N 2 2 319.276 3.612 20 0 DHADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000480748736 1034427388 /nfs/dbraw/zinc/42/73/88/1034427388.db2.gz IJERBGUXOMXZFS-GFCCVEGCSA-N 2 2 319.276 3.612 20 0 DHADLP COc1cc2c(NCc3ccn4cc[nH+]c4c3)cc[nH+]c2cc1F ZINC000357444818 1034452639 /nfs/dbraw/zinc/45/26/39/1034452639.db2.gz YPAAITMJOYYGAL-UHFFFAOYSA-N 2 2 322.343 3.642 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000481117082 1034590802 /nfs/dbraw/zinc/59/08/02/1034590802.db2.gz NUAQQEDQKNCDMS-GDBMZVCRSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000481117082 1034590809 /nfs/dbraw/zinc/59/08/09/1034590809.db2.gz NUAQQEDQKNCDMS-GDBMZVCRSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000481117082 1034590814 /nfs/dbraw/zinc/59/08/14/1034590814.db2.gz NUAQQEDQKNCDMS-GDBMZVCRSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000481117082 1034590822 /nfs/dbraw/zinc/59/08/22/1034590822.db2.gz NUAQQEDQKNCDMS-GDBMZVCRSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CCC2CC2)CC1 ZINC000186428228 1034628928 /nfs/dbraw/zinc/62/89/28/1034628928.db2.gz XNFRQUJCRNSMBZ-JKSUJKDBSA-N 2 2 301.478 3.775 20 0 DHADLP CC1(C)CCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481323726 1034749821 /nfs/dbraw/zinc/74/98/21/1034749821.db2.gz PWKWPVNUXHSODL-IBGZPJMESA-N 2 2 316.489 3.577 20 0 DHADLP CCC1([NH+]2CCOCC2)CC[NH+](CCCC2CCCC2)CC1 ZINC001175095672 1034810945 /nfs/dbraw/zinc/81/09/45/1034810945.db2.gz GNHPPMMXLLMVFO-UHFFFAOYSA-N 2 2 308.510 3.534 20 0 DHADLP C[NH+](C)CCc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175350385 1034945695 /nfs/dbraw/zinc/94/56/95/1034945695.db2.gz WXMRYDSGUNZRDF-UHFFFAOYSA-N 2 2 310.445 3.530 20 0 DHADLP Cc1cccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851388 1035042442 /nfs/dbraw/zinc/04/24/42/1035042442.db2.gz DXZGULVHLZCKPX-IBGZPJMESA-N 2 2 321.468 3.677 20 0 DHADLP Cc1cccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851388 1035042454 /nfs/dbraw/zinc/04/24/54/1035042454.db2.gz DXZGULVHLZCKPX-IBGZPJMESA-N 2 2 321.468 3.677 20 0 DHADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC[N@H+](C)C(C)C)cc1F ZINC000482090828 1035055838 /nfs/dbraw/zinc/05/58/38/1035055838.db2.gz BGSUVNNQCNHSAZ-WMZOPIPTSA-N 2 2 322.468 3.790 20 0 DHADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC[N@@H+](C)C(C)C)cc1F ZINC000482090828 1035055848 /nfs/dbraw/zinc/05/58/48/1035055848.db2.gz BGSUVNNQCNHSAZ-WMZOPIPTSA-N 2 2 322.468 3.790 20 0 DHADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000482313566 1035083961 /nfs/dbraw/zinc/08/39/61/1035083961.db2.gz VFDGKKZAYGBZQG-FMKPAKJESA-N 2 2 314.395 3.685 20 0 DHADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000482313566 1035083971 /nfs/dbraw/zinc/08/39/71/1035083971.db2.gz VFDGKKZAYGBZQG-FMKPAKJESA-N 2 2 314.395 3.685 20 0 DHADLP CC/C=C/CC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001176496782 1035280921 /nfs/dbraw/zinc/28/09/21/1035280921.db2.gz SNSCTZHTHBGHCP-ONEGZZNKSA-N 2 2 316.489 3.567 20 0 DHADLP CC/C=C/CC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001176496782 1035280928 /nfs/dbraw/zinc/28/09/28/1035280928.db2.gz SNSCTZHTHBGHCP-ONEGZZNKSA-N 2 2 316.489 3.567 20 0 DHADLP CC/C=C/CC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001176496782 1035280933 /nfs/dbraw/zinc/28/09/33/1035280933.db2.gz SNSCTZHTHBGHCP-ONEGZZNKSA-N 2 2 316.489 3.567 20 0 DHADLP CC/C=C/CC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001176496782 1035280940 /nfs/dbraw/zinc/28/09/40/1035280940.db2.gz SNSCTZHTHBGHCP-ONEGZZNKSA-N 2 2 316.489 3.567 20 0 DHADLP C[C@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)CCc2ccc(Cl)cc21 ZINC000668284267 1035307929 /nfs/dbraw/zinc/30/79/29/1035307929.db2.gz HYHYOMHUALFLTP-ZDUSSCGKSA-N 2 2 315.848 3.645 20 0 DHADLP C[C@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)CCc2ccc(Cl)cc21 ZINC000668284267 1035307933 /nfs/dbraw/zinc/30/79/33/1035307933.db2.gz HYHYOMHUALFLTP-ZDUSSCGKSA-N 2 2 315.848 3.645 20 0 DHADLP CS[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001177217422 1035356921 /nfs/dbraw/zinc/35/69/21/1035356921.db2.gz ULOQUGNPCHEAHK-ROUUACIJSA-N 2 2 315.486 3.695 20 0 DHADLP CS[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001177217423 1035357453 /nfs/dbraw/zinc/35/74/53/1035357453.db2.gz ULOQUGNPCHEAHK-ZWKOTPCHSA-N 2 2 315.486 3.695 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+]CCC[N@@H+](C)C(C)C)s2)o1 ZINC001177231671 1035358263 /nfs/dbraw/zinc/35/82/63/1035358263.db2.gz ZWMDALFFFWPTLT-UHFFFAOYSA-N 2 2 307.463 3.531 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+]CCC[N@H+](C)C(C)C)s2)o1 ZINC001177231671 1035358269 /nfs/dbraw/zinc/35/82/69/1035358269.db2.gz ZWMDALFFFWPTLT-UHFFFAOYSA-N 2 2 307.463 3.531 20 0 DHADLP c1cn(CCCC[NH2+]Cc2cnc(C3CCCC3)s2)c[nH+]1 ZINC001177441867 1035372543 /nfs/dbraw/zinc/37/25/43/1035372543.db2.gz KLGYFCSRJKQQAU-UHFFFAOYSA-N 2 2 304.463 3.567 20 0 DHADLP Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000484652585 1035384672 /nfs/dbraw/zinc/38/46/72/1035384672.db2.gz PIEGYSUMIFQNBK-MOPGFXCFSA-N 2 2 313.445 3.561 20 0 DHADLP C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304112 1035398019 /nfs/dbraw/zinc/39/80/19/1035398019.db2.gz ROQYQAZPKMTEMB-DYVFJYSZSA-N 2 2 303.475 3.679 20 0 DHADLP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304112 1035398025 /nfs/dbraw/zinc/39/80/25/1035398025.db2.gz ROQYQAZPKMTEMB-DYVFJYSZSA-N 2 2 303.475 3.679 20 0 DHADLP Oc1cc(Cl)cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC001178412252 1035428756 /nfs/dbraw/zinc/42/87/56/1035428756.db2.gz IWRMAFUWSIWDFF-UHFFFAOYSA-N 2 2 322.880 3.790 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC001178639764 1035440574 /nfs/dbraw/zinc/44/05/74/1035440574.db2.gz FZIBMGGTVNBACC-RBUKOAKNSA-N 2 2 300.490 3.644 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC001178639764 1035440577 /nfs/dbraw/zinc/44/05/77/1035440577.db2.gz FZIBMGGTVNBACC-RBUKOAKNSA-N 2 2 300.490 3.644 20 0 DHADLP c1cc(OCC2CC2)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001179316316 1035474362 /nfs/dbraw/zinc/47/43/62/1035474362.db2.gz SPBIVGIZPLSMSL-LJQANCHMSA-N 2 2 314.473 3.582 20 0 DHADLP c1cc(OCC2CC2)ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001179316316 1035474365 /nfs/dbraw/zinc/47/43/65/1035474365.db2.gz SPBIVGIZPLSMSL-LJQANCHMSA-N 2 2 314.473 3.582 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(C)C)C1 ZINC001192930693 1035520561 /nfs/dbraw/zinc/52/05/61/1035520561.db2.gz XWAIVMOYFOCCDC-DLBZAZTESA-N 2 2 303.494 3.891 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC001192930693 1035520576 /nfs/dbraw/zinc/52/05/76/1035520576.db2.gz XWAIVMOYFOCCDC-DLBZAZTESA-N 2 2 303.494 3.891 20 0 DHADLP CC1(C)CCC[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)O1 ZINC001193336644 1035608229 /nfs/dbraw/zinc/60/82/29/1035608229.db2.gz XMJNWGWZIZZPDW-SFHVURJKSA-N 2 2 319.493 3.723 20 0 DHADLP C(CC1CCCCC1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001194279601 1035881730 /nfs/dbraw/zinc/88/17/30/1035881730.db2.gz KOJMLLSMFQPRLV-IBGZPJMESA-N 2 2 308.510 3.534 20 0 DHADLP C(CC1CCCCC1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001194279601 1035881752 /nfs/dbraw/zinc/88/17/52/1035881752.db2.gz KOJMLLSMFQPRLV-IBGZPJMESA-N 2 2 308.510 3.534 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC001181436387 1035923869 /nfs/dbraw/zinc/92/38/69/1035923869.db2.gz QVASGHNMFVGSJN-IKGGRYGDSA-N 2 2 322.537 3.823 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC001181436387 1035923878 /nfs/dbraw/zinc/92/38/78/1035923878.db2.gz QVASGHNMFVGSJN-IKGGRYGDSA-N 2 2 322.537 3.823 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001181436602 1035924145 /nfs/dbraw/zinc/92/41/45/1035924145.db2.gz WLQUNNZVOBYWRO-VQIMIIECSA-N 2 2 300.490 3.502 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001181436602 1035924165 /nfs/dbraw/zinc/92/41/65/1035924165.db2.gz WLQUNNZVOBYWRO-VQIMIIECSA-N 2 2 300.490 3.502 20 0 DHADLP CC[C@H](C)[C@H](C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC001181536118 1035933930 /nfs/dbraw/zinc/93/39/30/1035933930.db2.gz XQPSKLGCLSIJHE-PXNSSMCTSA-N 2 2 318.505 3.644 20 0 DHADLP CC[C@H](C)[C@H](C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC001181536118 1035933939 /nfs/dbraw/zinc/93/39/39/1035933939.db2.gz XQPSKLGCLSIJHE-PXNSSMCTSA-N 2 2 318.505 3.644 20 0 DHADLP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC001181610065 1035950981 /nfs/dbraw/zinc/95/09/81/1035950981.db2.gz DZUQIIZQJLRJSG-SWLSCSKDSA-N 2 2 302.384 3.566 20 0 DHADLP COC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000194071068 1035968309 /nfs/dbraw/zinc/96/83/09/1035968309.db2.gz NYKHXEZNOJUIFQ-MRXNPFEDSA-N 2 2 319.836 3.514 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2ccccc2[nH]1 ZINC000775623625 1036085032 /nfs/dbraw/zinc/08/50/32/1036085032.db2.gz SPCXMUJJRYPHBZ-AWEZNQCLSA-N 2 2 308.429 3.594 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000494989038 1036167384 /nfs/dbraw/zinc/16/73/84/1036167384.db2.gz ZVTVMGLZUXSKQH-YOEHRIQHSA-N 2 2 324.896 3.901 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000494989038 1036167395 /nfs/dbraw/zinc/16/73/95/1036167395.db2.gz ZVTVMGLZUXSKQH-YOEHRIQHSA-N 2 2 324.896 3.901 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000494989038 1036167404 /nfs/dbraw/zinc/16/74/04/1036167404.db2.gz ZVTVMGLZUXSKQH-YOEHRIQHSA-N 2 2 324.896 3.901 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000494989038 1036167415 /nfs/dbraw/zinc/16/74/15/1036167415.db2.gz ZVTVMGLZUXSKQH-YOEHRIQHSA-N 2 2 324.896 3.901 20 0 DHADLP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495007800 1036183126 /nfs/dbraw/zinc/18/31/26/1036183126.db2.gz PKRWAYKQMJGPGV-KRWDZBQOSA-N 2 2 313.445 3.675 20 0 DHADLP Cc1cc(C)cc(OCCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495007800 1036183136 /nfs/dbraw/zinc/18/31/36/1036183136.db2.gz PKRWAYKQMJGPGV-KRWDZBQOSA-N 2 2 313.445 3.675 20 0 DHADLP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495007685 1036183560 /nfs/dbraw/zinc/18/35/60/1036183560.db2.gz VUYCAHYHJCBULU-QGZVFWFLSA-N 2 2 313.445 3.675 20 0 DHADLP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495007685 1036183572 /nfs/dbraw/zinc/18/35/72/1036183572.db2.gz VUYCAHYHJCBULU-QGZVFWFLSA-N 2 2 313.445 3.675 20 0 DHADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000229186019 1036239602 /nfs/dbraw/zinc/23/96/02/1036239602.db2.gz POSXXEAWLFFPNG-UHFFFAOYSA-N 2 2 301.261 3.956 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000250224027 1036254961 /nfs/dbraw/zinc/25/49/61/1036254961.db2.gz FEQBXMDYJHIGDM-DOMZBBRYSA-N 2 2 311.267 3.584 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000250224027 1036254982 /nfs/dbraw/zinc/25/49/82/1036254982.db2.gz FEQBXMDYJHIGDM-DOMZBBRYSA-N 2 2 311.267 3.584 20 0 DHADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001182633492 1036403180 /nfs/dbraw/zinc/40/31/80/1036403180.db2.gz BGZXCGDINGCLKC-ATZDWAIDSA-N 2 2 312.457 3.970 20 0 DHADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001182633492 1036403189 /nfs/dbraw/zinc/40/31/89/1036403189.db2.gz BGZXCGDINGCLKC-ATZDWAIDSA-N 2 2 312.457 3.970 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001182845950 1036459102 /nfs/dbraw/zinc/45/91/02/1036459102.db2.gz YLKWZQRQRAATRK-GDBMZVCRSA-N 2 2 306.519 3.802 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001182845950 1036459110 /nfs/dbraw/zinc/45/91/10/1036459110.db2.gz YLKWZQRQRAATRK-GDBMZVCRSA-N 2 2 306.519 3.802 20 0 DHADLP Clc1ccsc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000486991450 1036506403 /nfs/dbraw/zinc/50/64/03/1036506403.db2.gz WFEPGTSYIFBTNA-UHFFFAOYSA-N 2 2 320.889 3.940 20 0 DHADLP Clc1ccsc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000486991450 1036506415 /nfs/dbraw/zinc/50/64/15/1036506415.db2.gz WFEPGTSYIFBTNA-UHFFFAOYSA-N 2 2 320.889 3.940 20 0 DHADLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001205264251 1036570180 /nfs/dbraw/zinc/57/01/80/1036570180.db2.gz IGWXUQTUONULAF-AWEZNQCLSA-N 2 2 304.331 3.548 20 0 DHADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001205264251 1036570193 /nfs/dbraw/zinc/57/01/93/1036570193.db2.gz IGWXUQTUONULAF-AWEZNQCLSA-N 2 2 304.331 3.548 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C/C=C/c1ccncc1)C1CC1 ZINC000487574312 1036686430 /nfs/dbraw/zinc/68/64/30/1036686430.db2.gz RTNXLFUBLVTJGN-FERLCFGISA-N 2 2 321.468 3.595 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C/C=C/c1ccncc1)C1CC1 ZINC000487574312 1036686433 /nfs/dbraw/zinc/68/64/33/1036686433.db2.gz RTNXLFUBLVTJGN-FERLCFGISA-N 2 2 321.468 3.595 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)[C@H]1CC1(C)C ZINC000487579692 1036689611 /nfs/dbraw/zinc/68/96/11/1036689611.db2.gz WMJHUCFUKCHLTQ-RLFYNMQTSA-N 2 2 301.478 3.631 20 0 DHADLP C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000645964248 1036767549 /nfs/dbraw/zinc/76/75/49/1036767549.db2.gz XYEVLNYFTWILEP-SFHVURJKSA-N 2 2 301.409 3.510 20 0 DHADLP C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000645964248 1036767572 /nfs/dbraw/zinc/76/75/72/1036767572.db2.gz XYEVLNYFTWILEP-SFHVURJKSA-N 2 2 301.409 3.510 20 0 DHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001184205716 1036769897 /nfs/dbraw/zinc/76/98/97/1036769897.db2.gz BZHLOWNLECVLMO-HOTGVXAUSA-N 2 2 308.897 3.763 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184253108 1036788056 /nfs/dbraw/zinc/78/80/56/1036788056.db2.gz TYXNSJWKFGPZDI-HNNXBMFYSA-N 2 2 306.519 3.661 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184253108 1036788084 /nfs/dbraw/zinc/78/80/84/1036788084.db2.gz TYXNSJWKFGPZDI-HNNXBMFYSA-N 2 2 306.519 3.661 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205303684 1036903323 /nfs/dbraw/zinc/90/33/23/1036903323.db2.gz JJCWHUHDYDMXSP-ZYHUDNBSSA-N 2 2 320.786 3.776 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205303684 1036903341 /nfs/dbraw/zinc/90/33/41/1036903341.db2.gz JJCWHUHDYDMXSP-ZYHUDNBSSA-N 2 2 320.786 3.776 20 0 DHADLP CC(C)c1cc(NC[C@H](C)C[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC001184928109 1036975652 /nfs/dbraw/zinc/97/56/52/1036975652.db2.gz UJXUVMYCICWNJJ-HNNXBMFYSA-N 2 2 304.482 3.867 20 0 DHADLP Cn1c[nH+]cc1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001198769096 1037127892 /nfs/dbraw/zinc/12/78/92/1037127892.db2.gz JIAVIACCGNGLHF-UHFFFAOYSA-N 2 2 307.800 3.592 20 0 DHADLP CC[C@@H]1C[C@@H](C[NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC001198899514 1037152379 /nfs/dbraw/zinc/15/23/79/1037152379.db2.gz BLZMYSJHCVRHCM-DFQSSKMNSA-N 2 2 316.489 3.618 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC001198899515 1037153151 /nfs/dbraw/zinc/15/31/51/1037153151.db2.gz BLZMYSJHCVRHCM-MISYRCLQSA-N 2 2 316.489 3.618 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000311729901 1037311574 /nfs/dbraw/zinc/31/15/74/1037311574.db2.gz OFNYHQKDVKYLMD-ZBFHGGJFSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000311729901 1037311594 /nfs/dbraw/zinc/31/15/94/1037311594.db2.gz OFNYHQKDVKYLMD-ZBFHGGJFSA-N 2 2 323.278 3.510 20 0 DHADLP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001168456647 1037355381 /nfs/dbraw/zinc/35/53/81/1037355381.db2.gz UQVDQUWMTZZCND-HNNXBMFYSA-N 2 2 309.388 3.732 20 0 DHADLP Cc1nc(C[NH+]2CCC(n3cc[nH+]c3)CC2)sc1C(C)(C)C ZINC000929803635 1037471393 /nfs/dbraw/zinc/47/13/93/1037471393.db2.gz LIQPIWNTWMZEDP-UHFFFAOYSA-N 2 2 318.490 3.783 20 0 DHADLP CCOc1cccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000152775855 1037575507 /nfs/dbraw/zinc/57/55/07/1037575507.db2.gz UUUOKEOVUOGRID-OAHLLOKOSA-N 2 2 313.445 3.511 20 0 DHADLP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201560330 1037779190 /nfs/dbraw/zinc/77/91/90/1037779190.db2.gz RWPIRALXLONTNE-RLLQIKCJSA-N 2 2 315.505 3.662 20 0 DHADLP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201560330 1037779197 /nfs/dbraw/zinc/77/91/97/1037779197.db2.gz RWPIRALXLONTNE-RLLQIKCJSA-N 2 2 315.505 3.662 20 0 DHADLP CCCC[C@@H](CC)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201560330 1037779204 /nfs/dbraw/zinc/77/92/04/1037779204.db2.gz RWPIRALXLONTNE-RLLQIKCJSA-N 2 2 315.505 3.662 20 0 DHADLP CCCC[C@@H](CC)C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201560330 1037779208 /nfs/dbraw/zinc/77/92/08/1037779208.db2.gz RWPIRALXLONTNE-RLLQIKCJSA-N 2 2 315.505 3.662 20 0 DHADLP CSCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001201696698 1037843464 /nfs/dbraw/zinc/84/34/64/1037843464.db2.gz NMQXWDKQJBAAKQ-WJFTUGDTSA-N 2 2 320.546 3.635 20 0 DHADLP CSCCC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001201696698 1037843484 /nfs/dbraw/zinc/84/34/84/1037843484.db2.gz NMQXWDKQJBAAKQ-WJFTUGDTSA-N 2 2 320.546 3.635 20 0 DHADLP CSCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001201696698 1037843508 /nfs/dbraw/zinc/84/35/08/1037843508.db2.gz NMQXWDKQJBAAKQ-WJFTUGDTSA-N 2 2 320.546 3.635 20 0 DHADLP CSCCC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001201696698 1037843525 /nfs/dbraw/zinc/84/35/25/1037843525.db2.gz NMQXWDKQJBAAKQ-WJFTUGDTSA-N 2 2 320.546 3.635 20 0 DHADLP C[NH+](C)CC1CCN(c2ccc([NH2+]CC(C)(C)C)cc2)CC1 ZINC000151377984 1037867984 /nfs/dbraw/zinc/86/79/84/1037867984.db2.gz UUAULMYFZNZLFF-UHFFFAOYSA-N 2 2 303.494 3.923 20 0 DHADLP CCCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201751012 1037873206 /nfs/dbraw/zinc/87/32/06/1037873206.db2.gz RKJNSQDNMVEBGC-HZPDHXFCSA-N 2 2 307.507 3.620 20 0 DHADLP CCCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201751012 1037873240 /nfs/dbraw/zinc/87/32/40/1037873240.db2.gz RKJNSQDNMVEBGC-HZPDHXFCSA-N 2 2 307.507 3.620 20 0 DHADLP CCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201751012 1037873256 /nfs/dbraw/zinc/87/32/56/1037873256.db2.gz RKJNSQDNMVEBGC-HZPDHXFCSA-N 2 2 307.507 3.620 20 0 DHADLP CCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201751012 1037873278 /nfs/dbraw/zinc/87/32/78/1037873278.db2.gz RKJNSQDNMVEBGC-HZPDHXFCSA-N 2 2 307.507 3.620 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000125292976 1037930215 /nfs/dbraw/zinc/93/02/15/1037930215.db2.gz VAAVALKRPGTUMB-UHFFFAOYSA-N 2 2 318.358 3.761 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000125292976 1037930230 /nfs/dbraw/zinc/93/02/30/1037930230.db2.gz VAAVALKRPGTUMB-UHFFFAOYSA-N 2 2 318.358 3.761 20 0 DHADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000571176655 1038084605 /nfs/dbraw/zinc/08/46/05/1038084605.db2.gz XPKKAISQQVBYRX-SFHVURJKSA-N 2 2 319.399 3.858 20 0 DHADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000571176653 1038086253 /nfs/dbraw/zinc/08/62/53/1038086253.db2.gz XPKKAISQQVBYRX-GOSISDBHSA-N 2 2 319.399 3.858 20 0 DHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccc(F)cc2Cl)C1 ZINC000571412843 1038138169 /nfs/dbraw/zinc/13/81/69/1038138169.db2.gz DKBSPZITGIVMEA-OAHLLOKOSA-N 2 2 324.871 3.685 20 0 DHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccc(F)cc2Cl)C1 ZINC000571412843 1038138175 /nfs/dbraw/zinc/13/81/75/1038138175.db2.gz DKBSPZITGIVMEA-OAHLLOKOSA-N 2 2 324.871 3.685 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000571412843 1038138178 /nfs/dbraw/zinc/13/81/78/1038138178.db2.gz DKBSPZITGIVMEA-OAHLLOKOSA-N 2 2 324.871 3.685 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000571412843 1038138182 /nfs/dbraw/zinc/13/81/82/1038138182.db2.gz DKBSPZITGIVMEA-OAHLLOKOSA-N 2 2 324.871 3.685 20 0 DHADLP C[C@H](C[NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000127862085 1038216823 /nfs/dbraw/zinc/21/68/23/1038216823.db2.gz KQZCJQDPAPEAEG-OAHLLOKOSA-N 2 2 301.409 3.806 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000572473206 1038377036 /nfs/dbraw/zinc/37/70/36/1038377036.db2.gz NHVLAXJVYLFQNY-QAPCUYQASA-N 2 2 318.530 3.946 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000572473206 1038377047 /nfs/dbraw/zinc/37/70/47/1038377047.db2.gz NHVLAXJVYLFQNY-QAPCUYQASA-N 2 2 318.530 3.946 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725550 1039063010 /nfs/dbraw/zinc/06/30/10/1039063010.db2.gz CYSUHSDKDZWTLZ-GXTWGEPZSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725550 1039063024 /nfs/dbraw/zinc/06/30/24/1039063024.db2.gz CYSUHSDKDZWTLZ-GXTWGEPZSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725550 1039063040 /nfs/dbraw/zinc/06/30/40/1039063040.db2.gz CYSUHSDKDZWTLZ-GXTWGEPZSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725550 1039063060 /nfs/dbraw/zinc/06/30/60/1039063060.db2.gz CYSUHSDKDZWTLZ-GXTWGEPZSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000607358055 1040149302 /nfs/dbraw/zinc/14/93/02/1040149302.db2.gz UABCUSPHVACQBS-WBVHZDCISA-N 2 2 322.412 3.936 20 0 DHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000607358055 1040149315 /nfs/dbraw/zinc/14/93/15/1040149315.db2.gz UABCUSPHVACQBS-WBVHZDCISA-N 2 2 322.412 3.936 20 0 DHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000607358054 1040150834 /nfs/dbraw/zinc/15/08/34/1040150834.db2.gz UABCUSPHVACQBS-RDJZCZTQSA-N 2 2 322.412 3.936 20 0 DHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000607358054 1040150836 /nfs/dbraw/zinc/15/08/36/1040150836.db2.gz UABCUSPHVACQBS-RDJZCZTQSA-N 2 2 322.412 3.936 20 0 DHADLP C[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000575112514 1040181121 /nfs/dbraw/zinc/18/11/21/1040181121.db2.gz TXOKJBNCZFAJSK-LBPRGKRZSA-N 2 2 302.384 3.739 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccccc1F)c1ccccc1 ZINC000608073619 1040367232 /nfs/dbraw/zinc/36/72/32/1040367232.db2.gz PBKNJZRDRDCGMG-SFHVURJKSA-N 2 2 309.388 3.633 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccccc1 ZINC000608074460 1040368027 /nfs/dbraw/zinc/36/80/27/1040368027.db2.gz SDDAHCWIUJPZMB-OAHLLOKOSA-N 2 2 315.804 3.740 20 0 DHADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000063917519 1040600952 /nfs/dbraw/zinc/60/09/52/1040600952.db2.gz IYHMMFPRYCNOKA-LBPRGKRZSA-N 2 2 318.433 3.557 20 0 DHADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000063917519 1040600960 /nfs/dbraw/zinc/60/09/60/1040600960.db2.gz IYHMMFPRYCNOKA-LBPRGKRZSA-N 2 2 318.433 3.557 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000186747331 200003104 /nfs/dbraw/zinc/00/31/04/200003104.db2.gz QQORWXCVEHJWAM-KGLIPLIRSA-N 2 2 312.442 3.783 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cn2ccccc2n1 ZINC000556236427 370702808 /nfs/dbraw/zinc/70/28/08/370702808.db2.gz LJFKPBATPKIKSF-KRWDZBQOSA-N 2 2 322.456 3.507 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cn2ccccc2n1 ZINC000556236427 370702815 /nfs/dbraw/zinc/70/28/15/370702815.db2.gz LJFKPBATPKIKSF-KRWDZBQOSA-N 2 2 322.456 3.507 20 0 DHADLP C[C@@H](c1ccncc1)[NH+](C)CCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000091988931 193138296 /nfs/dbraw/zinc/13/82/96/193138296.db2.gz TVNVEJHZVMPKII-IRXDYDNUSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@@H](c1ccncc1)[NH+](C)CCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000091988931 193138297 /nfs/dbraw/zinc/13/82/97/193138297.db2.gz TVNVEJHZVMPKII-IRXDYDNUSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cncs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318087 193231686 /nfs/dbraw/zinc/23/16/86/193231686.db2.gz APTBOLBGJMQDBH-NVXWUHKLSA-N 2 2 315.486 3.628 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC000093318087 193231688 /nfs/dbraw/zinc/23/16/88/193231688.db2.gz APTBOLBGJMQDBH-NVXWUHKLSA-N 2 2 315.486 3.628 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cncs2)CC[NH+]1Cc1ccccc1 ZINC000093318087 193231689 /nfs/dbraw/zinc/23/16/89/193231689.db2.gz APTBOLBGJMQDBH-NVXWUHKLSA-N 2 2 315.486 3.628 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cncs2)CC[NH+]1Cc1ccccc1 ZINC000093318087 193231691 /nfs/dbraw/zinc/23/16/91/193231691.db2.gz APTBOLBGJMQDBH-NVXWUHKLSA-N 2 2 315.486 3.628 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cncs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318097 193231997 /nfs/dbraw/zinc/23/19/97/193231997.db2.gz APTBOLBGJMQDBH-RDJZCZTQSA-N 2 2 315.486 3.628 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC000093318097 193231999 /nfs/dbraw/zinc/23/19/99/193231999.db2.gz APTBOLBGJMQDBH-RDJZCZTQSA-N 2 2 315.486 3.628 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cncs2)CC[NH+]1Cc1ccccc1 ZINC000093318097 193232001 /nfs/dbraw/zinc/23/20/01/193232001.db2.gz APTBOLBGJMQDBH-RDJZCZTQSA-N 2 2 315.486 3.628 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cncs2)CC[NH+]1Cc1ccccc1 ZINC000093318097 193232002 /nfs/dbraw/zinc/23/20/02/193232002.db2.gz APTBOLBGJMQDBH-RDJZCZTQSA-N 2 2 315.486 3.628 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2nccs2)cc1F ZINC000093400990 193244057 /nfs/dbraw/zinc/24/40/57/193244057.db2.gz QAKQSQMAORGBJG-LLVKDONJSA-N 2 2 316.405 3.627 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1Br ZINC000020129026 182189962 /nfs/dbraw/zinc/18/99/62/182189962.db2.gz OIJWORCAUQVZIB-CYBMUJFWSA-N 2 2 311.267 3.586 20 0 DHADLP C[NH+](C)CCC1CC[NH+](Cc2nc(Cl)ccc2Cl)CC1 ZINC000274303285 130224558 /nfs/dbraw/zinc/22/45/58/130224558.db2.gz URCWQNOLFZFZKZ-UHFFFAOYSA-N 2 2 316.276 3.552 20 0 DHADLP Fc1cncc([C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C2CC2)c1 ZINC000281233480 130846156 /nfs/dbraw/zinc/84/61/56/130846156.db2.gz MMSXEVMKKVJMMZ-IBGZPJMESA-N 2 2 324.403 3.771 20 0 DHADLP Oc1cccc2c1CCC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000284052875 131044287 /nfs/dbraw/zinc/04/42/87/131044287.db2.gz KICXPIQNRMRUTM-KRWDZBQOSA-N 2 2 311.429 3.647 20 0 DHADLP CC1(C)CCC(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000340214838 131202582 /nfs/dbraw/zinc/20/25/82/131202582.db2.gz YUGXCJAOCMFTDX-UHFFFAOYSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000286111701 131220579 /nfs/dbraw/zinc/22/05/79/131220579.db2.gz NQXRILNCISXREL-MRXNPFEDSA-N 2 2 301.478 3.695 20 0 DHADLP FC(F)(F)Oc1cccc([C@H]([NH2+]Cc2c[nH+]c[nH]2)C2CC2)c1 ZINC000286387043 131234099 /nfs/dbraw/zinc/23/40/99/131234099.db2.gz GWMOOCFWCMKQGO-CQSZACIVSA-N 2 2 311.307 3.549 20 0 DHADLP COC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1cccc(Cl)c1F ZINC000287263900 131272420 /nfs/dbraw/zinc/27/24/20/131272420.db2.gz AOSNIDGORMETQI-INIZCTEOSA-N 2 2 322.811 3.702 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000289360908 131377436 /nfs/dbraw/zinc/37/74/36/131377436.db2.gz ZESMEADPOPOKBM-KDOFPFPSSA-N 2 2 308.429 3.729 20 0 DHADLP C[C@H](C[NH2+]CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000289361343 131378889 /nfs/dbraw/zinc/37/88/89/131378889.db2.gz YUANADXCMJVVRT-CYBMUJFWSA-N 2 2 311.351 3.685 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000289518846 131392452 /nfs/dbraw/zinc/39/24/52/131392452.db2.gz FUDSYZDHIISLKV-HXUWFJFHSA-N 2 2 305.425 3.953 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000289518846 131392454 /nfs/dbraw/zinc/39/24/54/131392454.db2.gz FUDSYZDHIISLKV-HXUWFJFHSA-N 2 2 305.425 3.953 20 0 DHADLP CCc1nc(C)c([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000163787472 131760368 /nfs/dbraw/zinc/76/03/68/131760368.db2.gz JPBTUNODYASFNE-GFCCVEGCSA-N 2 2 304.463 3.562 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000295703612 131916674 /nfs/dbraw/zinc/91/66/74/131916674.db2.gz MNNYTJLJFWGLGF-DOTOQJQBSA-N 2 2 311.429 3.625 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCC[C@H]1C ZINC000296552712 131971241 /nfs/dbraw/zinc/97/12/41/131971241.db2.gz UTESQZOXRGQJPS-HLIPFELVSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cn[nH]c1 ZINC000297921254 132040900 /nfs/dbraw/zinc/04/09/00/132040900.db2.gz XEOUSGLPYZSXPF-CVEARBPZSA-N 2 2 312.461 3.724 20 0 DHADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000121722226 132158185 /nfs/dbraw/zinc/15/81/85/132158185.db2.gz GJMPEZCULAODKK-FQEVSTJZSA-N 2 2 324.468 3.954 20 0 DHADLP COC[C@H]([NH2+]CCCc1c[nH+]ccc1C)c1cccc(Cl)c1 ZINC000517348338 331644484 /nfs/dbraw/zinc/64/44/84/331644484.db2.gz GREKNCINBKJZDT-SFHVURJKSA-N 2 2 318.848 3.953 20 0 DHADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)CCCC2 ZINC000556610951 331719998 /nfs/dbraw/zinc/71/99/98/331719998.db2.gz VSYQAOUJKSREKN-IEBWSBKVSA-N 2 2 309.457 3.720 20 0 DHADLP CC1=CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000556853662 331741071 /nfs/dbraw/zinc/74/10/71/331741071.db2.gz JAHAMURTBXBYIC-QQFBHYJXSA-N 2 2 316.411 3.880 20 0 DHADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000558403976 331903049 /nfs/dbraw/zinc/90/30/49/331903049.db2.gz UPZQTBCYNZQODA-UQHVZDHRSA-N 2 2 308.416 3.675 20 0 DHADLP Cc1ccc(C)c([C@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccccc2)c1 ZINC000313269631 331928907 /nfs/dbraw/zinc/92/89/07/331928907.db2.gz ZCEKTEQPXXOYTE-OAQYLSRUSA-N 2 2 319.452 3.959 20 0 DHADLP Cc1cccn2cc(COc3ccc(C[NH+]4CC(C)C4)cc3)[nH+]c12 ZINC000559073770 331971315 /nfs/dbraw/zinc/97/13/15/331971315.db2.gz HZUQFRMFIGRJKG-UHFFFAOYSA-N 2 2 321.424 3.673 20 0 DHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000518278877 332005915 /nfs/dbraw/zinc/00/59/15/332005915.db2.gz KAOHXAYPYYXEKH-NRFANRHFSA-N 2 2 324.468 3.554 20 0 DHADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000518278877 332005916 /nfs/dbraw/zinc/00/59/16/332005916.db2.gz KAOHXAYPYYXEKH-NRFANRHFSA-N 2 2 324.468 3.554 20 0 DHADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000128530321 332012638 /nfs/dbraw/zinc/01/26/38/332012638.db2.gz QKCIQXCYGJDDAB-CQSZACIVSA-N 2 2 314.420 3.539 20 0 DHADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000128530321 332012640 /nfs/dbraw/zinc/01/26/40/332012640.db2.gz QKCIQXCYGJDDAB-CQSZACIVSA-N 2 2 314.420 3.539 20 0 DHADLP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000559333288 332027584 /nfs/dbraw/zinc/02/75/84/332027584.db2.gz KCPDSNKBVQNHFK-BDTNDASRSA-N 2 2 320.480 3.697 20 0 DHADLP c1ccc(CC[N@H+]2CC[C@@H]([NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000559333288 332027585 /nfs/dbraw/zinc/02/75/85/332027585.db2.gz KCPDSNKBVQNHFK-BDTNDASRSA-N 2 2 320.480 3.697 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@@H](C)C[NH+](C)C ZINC000569526124 332124848 /nfs/dbraw/zinc/12/48/48/332124848.db2.gz RQDSISHZRGEBIM-SUIFULHWSA-N 2 2 300.368 3.648 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427111658 332168623 /nfs/dbraw/zinc/16/86/23/332168623.db2.gz UGYDTERUNIVFTQ-AZUAARDMSA-N 2 2 322.452 3.546 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427111658 332168625 /nfs/dbraw/zinc/16/86/25/332168625.db2.gz UGYDTERUNIVFTQ-AZUAARDMSA-N 2 2 322.452 3.546 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427111768 332168764 /nfs/dbraw/zinc/16/87/64/332168764.db2.gz VKYCKQVZZDZDBO-AZUAARDMSA-N 2 2 322.452 3.546 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427111768 332168766 /nfs/dbraw/zinc/16/87/66/332168766.db2.gz VKYCKQVZZDZDBO-AZUAARDMSA-N 2 2 322.452 3.546 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000448021964 332187781 /nfs/dbraw/zinc/18/77/81/332187781.db2.gz LTPVIFYMEHYGAH-RUXDESIVSA-N 2 2 306.416 3.818 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000448021964 332187782 /nfs/dbraw/zinc/18/77/82/332187782.db2.gz LTPVIFYMEHYGAH-RUXDESIVSA-N 2 2 306.416 3.818 20 0 DHADLP Cc1ccc(C2CC[NH+]([C@@H](C)c3nc(C4CC4)no3)CC2)c[nH+]1 ZINC000363672039 332217029 /nfs/dbraw/zinc/21/70/29/332217029.db2.gz LSOFSDADXPRDFA-ZDUSSCGKSA-N 2 2 312.417 3.591 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000560244587 332322724 /nfs/dbraw/zinc/32/27/24/332322724.db2.gz NRRYPRYYFXULKJ-ATZDWAIDSA-N 2 2 304.478 3.509 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000560244587 332322727 /nfs/dbraw/zinc/32/27/27/332322727.db2.gz NRRYPRYYFXULKJ-ATZDWAIDSA-N 2 2 304.478 3.509 20 0 DHADLP Cc1ccccc1C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CC1 ZINC000560247612 332323473 /nfs/dbraw/zinc/32/34/73/332323473.db2.gz WULWJFFLPIWGPE-HXUWFJFHSA-N 2 2 319.452 3.796 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)C[N@@H+]1C1CC1 ZINC000560266903 332325414 /nfs/dbraw/zinc/32/54/14/332325414.db2.gz AZPRJWVWMWBCBX-CZUORRHYSA-N 2 2 304.865 3.934 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)C[N@H+]1C1CC1 ZINC000560266903 332325415 /nfs/dbraw/zinc/32/54/15/332325415.db2.gz AZPRJWVWMWBCBX-CZUORRHYSA-N 2 2 304.865 3.934 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2c(s1)CCC2 ZINC000152782935 332328317 /nfs/dbraw/zinc/32/83/17/332328317.db2.gz MVSJDJPZSYOGQE-CYBMUJFWSA-N 2 2 315.486 3.663 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000525990490 332338740 /nfs/dbraw/zinc/33/87/40/332338740.db2.gz WJJJBMCPIUHDJM-RFQIPJPRSA-N 2 2 312.910 3.825 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000525990490 332338741 /nfs/dbraw/zinc/33/87/41/332338741.db2.gz WJJJBMCPIUHDJM-RFQIPJPRSA-N 2 2 312.910 3.825 20 0 DHADLP COc1cc(CC[NH2+]CCCc2c[nH+]ccc2C)ccc1Cl ZINC000560623292 332370059 /nfs/dbraw/zinc/37/00/59/332370059.db2.gz VNOKOQKHRWRVID-UHFFFAOYSA-N 2 2 318.848 3.817 20 0 DHADLP Fc1cc(Cl)cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000317858355 332460504 /nfs/dbraw/zinc/46/05/04/332460504.db2.gz APQZHYIMDLILGR-UHFFFAOYSA-N 2 2 319.811 3.633 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+]CCCNc3cccc[nH+]3)C2)c1 ZINC000561950885 332521085 /nfs/dbraw/zinc/52/10/85/332521085.db2.gz IXPQQJWCMRAPQS-UHFFFAOYSA-N 2 2 317.383 3.698 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC(C)(C)C)cc1 ZINC000427851705 332541546 /nfs/dbraw/zinc/54/15/46/332541546.db2.gz SLPGRNTYSMSJHF-GOEBONIOSA-N 2 2 313.445 3.726 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OC(C)(C)C)cc1 ZINC000427851707 332541548 /nfs/dbraw/zinc/54/15/48/332541548.db2.gz SLPGRNTYSMSJHF-HOCLYGCPSA-N 2 2 313.445 3.726 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000427874799 332551811 /nfs/dbraw/zinc/55/18/11/332551811.db2.gz IKOZFKAVXOIXKN-WBVHZDCISA-N 2 2 303.837 3.838 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCC[C@H]1C1CCCCC1)CC2 ZINC000427899832 332557917 /nfs/dbraw/zinc/55/79/17/332557917.db2.gz XJRVOSUDBLKFKP-SQNIBIBYSA-N 2 2 301.478 3.927 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+]Cc3ccncc3C)ccc2n1C1CC1 ZINC000562667380 332615053 /nfs/dbraw/zinc/61/50/53/332615053.db2.gz WAQHPAUHQMUWPD-UHFFFAOYSA-N 2 2 320.440 3.927 20 0 DHADLP Cc1ccc(CCC[N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000580714993 333001530 /nfs/dbraw/zinc/00/15/30/333001530.db2.gz LJBFXZCPAAAEIP-NRFANRHFSA-N 3 2 323.484 3.577 20 0 DHADLP Cc1ccc(CCC[N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000580714993 333001531 /nfs/dbraw/zinc/00/15/31/333001531.db2.gz LJBFXZCPAAAEIP-NRFANRHFSA-N 3 2 323.484 3.577 20 0 DHADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000181237226 333029668 /nfs/dbraw/zinc/02/96/68/333029668.db2.gz RGAXLRQESNUXTP-NFOMZHRRSA-N 2 2 306.416 3.819 20 0 DHADLP CC(C)[C@H](C[NH2+]Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000518767536 333046050 /nfs/dbraw/zinc/04/60/50/333046050.db2.gz HDXOXVNAOGCUHI-NRFANRHFSA-N 2 2 308.469 3.859 20 0 DHADLP CC(C)[C@H](C[NH2+]Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000518767536 333046051 /nfs/dbraw/zinc/04/60/51/333046051.db2.gz HDXOXVNAOGCUHI-NRFANRHFSA-N 2 2 308.469 3.859 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000387762839 333172719 /nfs/dbraw/zinc/17/27/19/333172719.db2.gz XNKNLPLEMFRQFM-LSDHHAIUSA-N 2 2 308.441 3.749 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(F)c1 ZINC000387762839 333172720 /nfs/dbraw/zinc/17/27/20/333172720.db2.gz XNKNLPLEMFRQFM-LSDHHAIUSA-N 2 2 308.441 3.749 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000309671889 333187012 /nfs/dbraw/zinc/18/70/12/333187012.db2.gz UAXAEZXAYXBSIZ-FXAWDEMLSA-N 2 2 309.457 3.644 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000309671889 333187014 /nfs/dbraw/zinc/18/70/14/333187014.db2.gz UAXAEZXAYXBSIZ-FXAWDEMLSA-N 2 2 309.457 3.644 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCO[C@@H]2c2ccccc2)c[nH+]1 ZINC000343337065 335123336 /nfs/dbraw/zinc/12/33/36/335123336.db2.gz ABJLFOLEKOCIEW-VQTJNVASSA-N 2 2 310.441 3.690 20 0 DHADLP Cc1cscc1C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309949142 333209556 /nfs/dbraw/zinc/20/95/56/333209556.db2.gz LZYZEAUHZBTWSZ-YJBOKZPZSA-N 2 2 300.471 3.809 20 0 DHADLP Cc1cscc1C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309949142 333209558 /nfs/dbraw/zinc/20/95/58/333209558.db2.gz LZYZEAUHZBTWSZ-YJBOKZPZSA-N 2 2 300.471 3.809 20 0 DHADLP C[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120116892 333275561 /nfs/dbraw/zinc/27/55/61/333275561.db2.gz JIAZNPHOUJCUHF-OAHLLOKOSA-N 2 2 309.388 3.905 20 0 DHADLP C[C@@H](CCCC(F)(F)F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000388350494 333279097 /nfs/dbraw/zinc/27/90/97/333279097.db2.gz PSPPWRLCNUPQIL-ZDUSSCGKSA-N 2 2 315.383 3.761 20 0 DHADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1nc2ccccc2n1C ZINC000120545028 333289627 /nfs/dbraw/zinc/28/96/27/333289627.db2.gz MEXYQGKLTHZAOY-ZDUSSCGKSA-N 2 2 314.477 3.533 20 0 DHADLP Fc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390530139 333291711 /nfs/dbraw/zinc/29/17/11/333291711.db2.gz LNEQJGYSZWKRCQ-SFHVURJKSA-N 2 2 316.395 3.719 20 0 DHADLP Fc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390530139 333291712 /nfs/dbraw/zinc/29/17/12/333291712.db2.gz LNEQJGYSZWKRCQ-SFHVURJKSA-N 2 2 316.395 3.719 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497854670 333302151 /nfs/dbraw/zinc/30/21/51/333302151.db2.gz XBZRVTGHSSZGDN-OALUTQOASA-N 2 2 302.437 3.836 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497854670 333302152 /nfs/dbraw/zinc/30/21/52/333302152.db2.gz XBZRVTGHSSZGDN-OALUTQOASA-N 2 2 302.437 3.836 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390589155 333304124 /nfs/dbraw/zinc/30/41/24/333304124.db2.gz OMPXLLYPBNORHK-PXNSSMCTSA-N 2 2 324.468 3.577 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390589155 333304125 /nfs/dbraw/zinc/30/41/25/333304125.db2.gz OMPXLLYPBNORHK-PXNSSMCTSA-N 2 2 324.468 3.577 20 0 DHADLP c1c2ccccc2oc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121345586 333385750 /nfs/dbraw/zinc/38/57/50/333385750.db2.gz HKGBCBCGVVFALQ-UHFFFAOYSA-N 2 2 307.397 3.586 20 0 DHADLP COc1ccc[nH+]c1N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563134586 333395664 /nfs/dbraw/zinc/39/56/64/333395664.db2.gz HHDJWDZLTHLUSF-QGZVFWFLSA-N 2 2 323.440 3.699 20 0 DHADLP COc1ccc[nH+]c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563134586 333395665 /nfs/dbraw/zinc/39/56/65/333395665.db2.gz HHDJWDZLTHLUSF-QGZVFWFLSA-N 2 2 323.440 3.699 20 0 DHADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1cc(C)cc[nH+]1 ZINC000339222669 333514211 /nfs/dbraw/zinc/51/42/11/333514211.db2.gz CEXDAPWTLIBZCJ-MRXNPFEDSA-N 2 2 306.413 3.717 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nccs1 ZINC000152213145 333645375 /nfs/dbraw/zinc/64/53/75/333645375.db2.gz UKDFHZRYHXYRQI-INIZCTEOSA-N 2 2 307.507 3.981 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CCC(C[NH+]2CCCC2)CC1 ZINC000571321301 333733664 /nfs/dbraw/zinc/73/36/64/333733664.db2.gz UKNNNCJMSMPXTM-UHFFFAOYSA-N 2 2 309.457 3.855 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(C)c1 ZINC000414070847 333891134 /nfs/dbraw/zinc/89/11/34/333891134.db2.gz KCQLVLSGLCXHAH-MRXNPFEDSA-N 2 2 313.445 3.942 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCc3c4ccccc4sc32)c1 ZINC000414131334 333899757 /nfs/dbraw/zinc/89/97/57/333899757.db2.gz ZFCVZTKXQYABGO-INIZCTEOSA-N 2 2 311.454 3.845 20 0 DHADLP CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000414299454 333935680 /nfs/dbraw/zinc/93/56/80/333935680.db2.gz JSLMLBNIAAUZFN-RBUKOAKNSA-N 2 2 315.505 3.850 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1Cl ZINC000414390076 333958670 /nfs/dbraw/zinc/95/86/70/333958670.db2.gz HWLDFBYGFDLQFE-MRXNPFEDSA-N 2 2 320.868 3.626 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000271380850 334022445 /nfs/dbraw/zinc/02/24/45/334022445.db2.gz IHYCZUATOJVQBN-FXAWDEMLSA-N 2 2 309.457 3.878 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343597699 335175872 /nfs/dbraw/zinc/17/58/72/335175872.db2.gz DBWPXYOPMUDHMI-UHFFFAOYSA-N 2 2 312.404 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343597699 335175873 /nfs/dbraw/zinc/17/58/73/335175873.db2.gz DBWPXYOPMUDHMI-UHFFFAOYSA-N 2 2 312.404 3.514 20 0 DHADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000414742969 334079312 /nfs/dbraw/zinc/07/93/12/334079312.db2.gz GTXYPRKCNUEVCL-ZDUSSCGKSA-N 2 2 319.424 3.534 20 0 DHADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000414742969 334079313 /nfs/dbraw/zinc/07/93/13/334079313.db2.gz GTXYPRKCNUEVCL-ZDUSSCGKSA-N 2 2 319.424 3.534 20 0 DHADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000414740049 334079332 /nfs/dbraw/zinc/07/93/32/334079332.db2.gz CXNYDYMBXMCJHO-ZFWWWQNUSA-N 2 2 319.424 3.520 20 0 DHADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000414740049 334079333 /nfs/dbraw/zinc/07/93/33/334079333.db2.gz CXNYDYMBXMCJHO-ZFWWWQNUSA-N 2 2 319.424 3.520 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)s1 ZINC000278512576 334097189 /nfs/dbraw/zinc/09/71/89/334097189.db2.gz MFYDRQQUHNUMPB-STQMWFEESA-N 2 2 316.898 3.553 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)s1 ZINC000278512576 334097190 /nfs/dbraw/zinc/09/71/90/334097190.db2.gz MFYDRQQUHNUMPB-STQMWFEESA-N 2 2 316.898 3.553 20 0 DHADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000414802740 334102196 /nfs/dbraw/zinc/10/21/96/334102196.db2.gz VUURSZZYSAPFOP-ZDUSSCGKSA-N 2 2 315.442 3.629 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000343508721 335173030 /nfs/dbraw/zinc/17/30/30/335173030.db2.gz JJNOSINKASJYDE-KXBFYZLASA-N 2 2 316.489 3.714 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000414818628 334107962 /nfs/dbraw/zinc/10/79/62/334107962.db2.gz WGWYHYCMAZNJNB-OAHLLOKOSA-N 2 2 303.475 3.726 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1C(F)(F)F ZINC000414824522 334108710 /nfs/dbraw/zinc/10/87/10/334108710.db2.gz AUIAGWCCUMFYDC-MRXNPFEDSA-N 2 2 308.347 3.803 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414830721 334110694 /nfs/dbraw/zinc/11/06/94/334110694.db2.gz MIKXQPOOCIWAJM-SUMWQHHRSA-N 2 2 322.374 3.926 20 0 DHADLP c1ccc([C@H]2C[C@H](Nc3ccc4c(c3)CCC[NH2+]4)CC[NH2+]2)cc1 ZINC000414844750 334114213 /nfs/dbraw/zinc/11/42/13/334114213.db2.gz FBCQNTAGELAYIQ-UYAOXDASSA-N 2 2 307.441 3.950 20 0 DHADLP c1ccc([C@@H]2C[C@H](Nc3ccc4c(c3)CCC[NH2+]4)CC[NH2+]2)cc1 ZINC000414844745 334114217 /nfs/dbraw/zinc/11/42/17/334114217.db2.gz FBCQNTAGELAYIQ-QUCCMNQESA-N 2 2 307.441 3.950 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000414851729 334125955 /nfs/dbraw/zinc/12/59/55/334125955.db2.gz UUBXTDXVZBCAKB-FQEVSTJZSA-N 2 2 311.473 3.736 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414865612 334135284 /nfs/dbraw/zinc/13/52/84/334135284.db2.gz ZGGNNMXSKNDGGP-ZBFHGGJFSA-N 2 2 315.486 3.596 20 0 DHADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000414925658 334186718 /nfs/dbraw/zinc/18/67/18/334186718.db2.gz IXIZPAHKVRFBQK-HNNXBMFYSA-N 2 2 307.507 3.669 20 0 DHADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000414953320 334207839 /nfs/dbraw/zinc/20/78/39/334207839.db2.gz LPOLCSWYAQPYFF-LRDDRELGSA-N 2 2 320.383 3.671 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[NH2+]1 ZINC000414957718 334210077 /nfs/dbraw/zinc/21/00/77/334210077.db2.gz WIRYULFKXRUUSB-JOYOIKCWSA-N 2 2 306.759 3.589 20 0 DHADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415042629 334261045 /nfs/dbraw/zinc/26/10/45/334261045.db2.gz QSVCYEZVLAQLRN-GFCCVEGCSA-N 2 2 306.759 3.589 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000415044918 334261254 /nfs/dbraw/zinc/26/12/54/334261254.db2.gz CCYMIUZPGHEUNH-HXUWFJFHSA-N 2 2 319.452 3.895 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc2cccnc21 ZINC000415064104 334262436 /nfs/dbraw/zinc/26/24/36/334262436.db2.gz JSKXGHSNZZVLJI-LJQANCHMSA-N 2 2 305.425 3.587 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccccc1OC(F)F ZINC000415070386 334262627 /nfs/dbraw/zinc/26/26/27/334262627.db2.gz UVRSCHDHWHJSOT-MRXNPFEDSA-N 2 2 320.383 3.640 20 0 DHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415080007 334269554 /nfs/dbraw/zinc/26/95/54/334269554.db2.gz KUFOJCGSDARMMF-CZUORRHYSA-N 2 2 315.486 3.830 20 0 DHADLP CC[C@@H](C[NH2+][C@@H](C)c1cc(C)ccn1)[N@@H+]1CCc2ccccc2C1 ZINC000514093342 334270408 /nfs/dbraw/zinc/27/04/08/334270408.db2.gz JAUOGWRZQTXAMG-PXNSSMCTSA-N 2 2 323.484 3.878 20 0 DHADLP CC[C@@H](C[NH2+][C@@H](C)c1cc(C)ccn1)[N@H+]1CCc2ccccc2C1 ZINC000514093342 334270409 /nfs/dbraw/zinc/27/04/09/334270409.db2.gz JAUOGWRZQTXAMG-PXNSSMCTSA-N 2 2 323.484 3.878 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1nccs1 ZINC000415113776 334282181 /nfs/dbraw/zinc/28/21/81/334282181.db2.gz FNVMVOUHTDDYNE-HRCADAONSA-N 2 2 301.459 3.677 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000415113818 334282223 /nfs/dbraw/zinc/28/22/23/334282223.db2.gz SRPULMCIUUIMDZ-UWVGGRQHSA-N 2 2 305.224 3.783 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000415105444 334283147 /nfs/dbraw/zinc/28/31/47/334283147.db2.gz MGJNUSRJPRMZTM-IMJJTQAJSA-N 2 2 301.459 3.595 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CCO1 ZINC000443006275 338441770 /nfs/dbraw/zinc/44/17/70/338441770.db2.gz ICGYJNGSNQCPKG-JRBPQWBISA-N 2 2 318.505 3.781 20 0 DHADLP Clc1ccccc1CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534863532 334341956 /nfs/dbraw/zinc/34/19/56/334341956.db2.gz MVNPMZSLTBUVIT-UHFFFAOYSA-N 2 2 315.848 3.854 20 0 DHADLP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534944922 334349987 /nfs/dbraw/zinc/34/99/87/334349987.db2.gz LIRKGRRIUJGZDF-CVEARBPZSA-N 2 2 315.486 3.780 20 0 DHADLP C[C@H](CCSc1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534944922 334349989 /nfs/dbraw/zinc/34/99/89/334349989.db2.gz LIRKGRRIUJGZDF-CVEARBPZSA-N 2 2 315.486 3.780 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3cc(F)ccc31)CCC2 ZINC000341699878 334471538 /nfs/dbraw/zinc/47/15/38/334471538.db2.gz SDEREKPFHGOUJY-MAUKXSAKSA-N 2 2 313.420 3.875 20 0 DHADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000342408404 334539300 /nfs/dbraw/zinc/53/93/00/334539300.db2.gz BYVCDJMUJHAHDM-SJCJKPOMSA-N 2 2 311.410 3.546 20 0 DHADLP Cc1ccc([C@@H](C[NH2+]C2CC(OC(C)C)C2)[NH+]2CCCC2)cc1 ZINC000428070570 334788913 /nfs/dbraw/zinc/78/89/13/334788913.db2.gz BRYMSZVHXKDQMQ-SOAGJPPSSA-N 2 2 316.489 3.678 20 0 DHADLP CCOC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000189351379 334892632 /nfs/dbraw/zinc/89/26/32/334892632.db2.gz QGXALPMCRKEMCU-CRAIPNDOSA-N 2 2 301.434 3.584 20 0 DHADLP C[C@H](C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1)C[NH+]1CCCC1 ZINC000343845492 335196856 /nfs/dbraw/zinc/19/68/56/335196856.db2.gz VZOUBAMHBHHVPP-GHMZBOCLSA-N 2 2 321.412 3.544 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343853611 335197714 /nfs/dbraw/zinc/19/77/14/335197714.db2.gz IRMALADQKPIEPF-JTQLQIEISA-N 2 2 315.364 3.759 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H]3CC[C@@H]4CCC[C@@H]4C3)c2)c[nH+]1 ZINC000344195347 335229401 /nfs/dbraw/zinc/22/94/01/335229401.db2.gz IVDAARDOKWWEQV-RRFJBIMHSA-N 2 2 301.459 3.992 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(Cl)c1F)CCC2 ZINC000344537340 335255816 /nfs/dbraw/zinc/25/58/16/335255816.db2.gz KJFVYSHJOMLSEU-CYBMUJFWSA-N 2 2 307.800 3.651 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000344851218 335280064 /nfs/dbraw/zinc/28/00/64/335280064.db2.gz JGYSIHXSTFTUEC-ZDUSSCGKSA-N 2 2 319.836 3.643 20 0 DHADLP Clc1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000345257779 335312624 /nfs/dbraw/zinc/31/26/24/335312624.db2.gz BJWPARGMBOCYDE-IAGOWNOFSA-N 2 2 315.848 3.982 20 0 DHADLP Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)on1 ZINC000346161282 335383574 /nfs/dbraw/zinc/38/35/74/335383574.db2.gz FLUSQOXXLISBOS-OAHLLOKOSA-N 2 2 314.414 3.567 20 0 DHADLP Cc1cc([C@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)on1 ZINC000346161282 335383576 /nfs/dbraw/zinc/38/35/76/335383576.db2.gz FLUSQOXXLISBOS-OAHLLOKOSA-N 2 2 314.414 3.567 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CCCc4ccccc4C3)c2)c[nH+]1 ZINC000346160467 335383703 /nfs/dbraw/zinc/38/37/03/335383703.db2.gz WRJKOZUIULDYSC-UHFFFAOYSA-N 2 2 309.438 3.882 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CCCc4ccccc4C3)c2)c[nH+]1 ZINC000346160467 335383704 /nfs/dbraw/zinc/38/37/04/335383704.db2.gz WRJKOZUIULDYSC-UHFFFAOYSA-N 2 2 309.438 3.882 20 0 DHADLP Fc1ccccc1C[N@H+](CCn1cc[nH+]c1)C1CCCCC1 ZINC000346269001 335396615 /nfs/dbraw/zinc/39/66/15/335396615.db2.gz AAHJWDXQOWJTTL-UHFFFAOYSA-N 2 2 301.409 3.857 20 0 DHADLP Fc1ccccc1C[N@@H+](CCn1cc[nH+]c1)C1CCCCC1 ZINC000346269001 335396616 /nfs/dbraw/zinc/39/66/16/335396616.db2.gz AAHJWDXQOWJTTL-UHFFFAOYSA-N 2 2 301.409 3.857 20 0 DHADLP FC(F)(F)c1ccccc1C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000346317070 335399280 /nfs/dbraw/zinc/39/92/80/335399280.db2.gz VDMYPYQFMLTKFJ-UHFFFAOYSA-N 2 2 323.362 3.782 20 0 DHADLP CSCc1cccc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000348224749 335563478 /nfs/dbraw/zinc/56/34/78/335563478.db2.gz KUFLKGWDNKSUBR-UHFFFAOYSA-N 2 2 300.471 3.975 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCC12CCOCC2)c1ccccc1 ZINC000367057503 335605438 /nfs/dbraw/zinc/60/54/38/335605438.db2.gz KEQXIIACKPPFJS-SJLPKXTDSA-N 2 2 316.489 3.665 20 0 DHADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000351776380 336068489 /nfs/dbraw/zinc/06/84/89/336068489.db2.gz ZMLXUEJJKDIIRA-YOEHRIQHSA-N 2 2 303.837 3.928 20 0 DHADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000351776380 336068491 /nfs/dbraw/zinc/06/84/91/336068491.db2.gz ZMLXUEJJKDIIRA-YOEHRIQHSA-N 2 2 303.837 3.928 20 0 DHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1c(C)cc[nH+]c1C)CC(C)C ZINC000351922604 336178914 /nfs/dbraw/zinc/17/89/14/336178914.db2.gz IAKZGGOZMMKOJU-INIZCTEOSA-N 2 2 320.481 3.576 20 0 DHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000352019522 336189422 /nfs/dbraw/zinc/18/94/22/336189422.db2.gz FRCSTNKYYYUWIJ-GOSISDBHSA-N 2 2 322.456 3.954 20 0 DHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000352019522 336189424 /nfs/dbraw/zinc/18/94/24/336189424.db2.gz FRCSTNKYYYUWIJ-GOSISDBHSA-N 2 2 322.456 3.954 20 0 DHADLP Clc1ccccc1C[N@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000352257000 336207356 /nfs/dbraw/zinc/20/73/56/336207356.db2.gz OAXCYWCJKIKZJZ-UHFFFAOYSA-N 2 2 303.837 3.839 20 0 DHADLP Clc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000352257000 336207357 /nfs/dbraw/zinc/20/73/57/336207357.db2.gz OAXCYWCJKIKZJZ-UHFFFAOYSA-N 2 2 303.837 3.839 20 0 DHADLP Cc1nc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)s1 ZINC000352342603 336213444 /nfs/dbraw/zinc/21/34/44/336213444.db2.gz VWVUWDYTFKDATQ-UHFFFAOYSA-N 2 2 317.458 3.507 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)co2)cc1 ZINC000352347109 336213577 /nfs/dbraw/zinc/21/35/77/336213577.db2.gz UVWCHSZIKUAFOZ-MRXNPFEDSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)co2)cc1 ZINC000352347109 336213578 /nfs/dbraw/zinc/21/35/78/336213578.db2.gz UVWCHSZIKUAFOZ-MRXNPFEDSA-N 2 2 322.412 3.753 20 0 DHADLP Clc1oc2ccccc2c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352545222 336223725 /nfs/dbraw/zinc/22/37/25/336223725.db2.gz HHQKLBKBUUICKC-QGZVFWFLSA-N 2 2 304.821 3.662 20 0 DHADLP Clc1oc2ccccc2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352545222 336223726 /nfs/dbraw/zinc/22/37/26/336223726.db2.gz HHQKLBKBUUICKC-QGZVFWFLSA-N 2 2 304.821 3.662 20 0 DHADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1OC(F)F ZINC000352682130 336230107 /nfs/dbraw/zinc/23/01/07/336230107.db2.gz BYFXROUVAQWMEJ-RCBQFDQVSA-N 2 2 324.415 3.811 20 0 DHADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1OC(F)F ZINC000352682130 336230108 /nfs/dbraw/zinc/23/01/08/336230108.db2.gz BYFXROUVAQWMEJ-RCBQFDQVSA-N 2 2 324.415 3.811 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000352761440 336233512 /nfs/dbraw/zinc/23/35/12/336233512.db2.gz XOJFXSVHLIMZNG-JXFKEZNVSA-N 2 2 309.457 3.569 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000352761440 336233513 /nfs/dbraw/zinc/23/35/13/336233513.db2.gz XOJFXSVHLIMZNG-JXFKEZNVSA-N 2 2 309.457 3.569 20 0 DHADLP Cc1ccccc1[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000352773237 336235623 /nfs/dbraw/zinc/23/56/23/336235623.db2.gz QKVCWPXSSLWZMW-GOSISDBHSA-N 2 2 315.486 3.754 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cscc1C(F)(F)F ZINC000352797635 336237758 /nfs/dbraw/zinc/23/77/58/336237758.db2.gz MFLSUNHTXNAPGT-UHFFFAOYSA-N 2 2 300.349 3.803 20 0 DHADLP CC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000532442049 336247445 /nfs/dbraw/zinc/24/74/45/336247445.db2.gz HCYJVMADVWCJTE-VQTJNVASSA-N 2 2 316.489 3.618 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1 ZINC000532459454 336248434 /nfs/dbraw/zinc/24/84/34/336248434.db2.gz SJBKNPWJFKAMEW-SJORKVTESA-N 2 2 304.478 3.509 20 0 DHADLP CC[C@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)C1CCOCC1 ZINC000532460390 336248562 /nfs/dbraw/zinc/24/85/62/336248562.db2.gz OXYASUQAPFXMJL-KRWDZBQOSA-N 2 2 315.461 3.530 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CCOCC1 ZINC000532511400 336252908 /nfs/dbraw/zinc/25/29/08/336252908.db2.gz AADWVKNFQCHOSO-LPHOPBHVSA-N 2 2 318.505 3.911 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(CNc2cc[nH+]c3ccsc32)cn1 ZINC000301357868 336302294 /nfs/dbraw/zinc/30/22/94/336302294.db2.gz LAKRTHUSNPHNOH-UHFFFAOYSA-N 2 2 321.409 3.798 20 0 DHADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(C(C)(C)C)n1)c1cccc(F)c1 ZINC000301514129 336311814 /nfs/dbraw/zinc/31/18/14/336311814.db2.gz JGJYJQMKHKHDHT-HNNXBMFYSA-N 2 2 316.424 3.628 20 0 DHADLP C[C@@H](CNc1cc[nH+]cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000301518303 336311860 /nfs/dbraw/zinc/31/18/60/336311860.db2.gz MIQHVTAUBKUSEA-ZDUSSCGKSA-N 2 2 301.821 3.594 20 0 DHADLP C[C@@H](CNc1cc[nH+]cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000301518303 336311861 /nfs/dbraw/zinc/31/18/61/336311861.db2.gz MIQHVTAUBKUSEA-ZDUSSCGKSA-N 2 2 301.821 3.594 20 0 DHADLP CC[N@H+](C)Cc1cccc(CNc2nc(C)[nH+]c3c2CCCC3)c1 ZINC000301584748 336316524 /nfs/dbraw/zinc/31/65/24/336316524.db2.gz UVNOLDCTTZJLLZ-UHFFFAOYSA-N 2 2 324.472 3.728 20 0 DHADLP CC[N@@H+](C)Cc1cccc(CNc2nc(C)[nH+]c3c2CCCC3)c1 ZINC000301584748 336316525 /nfs/dbraw/zinc/31/65/25/336316525.db2.gz UVNOLDCTTZJLLZ-UHFFFAOYSA-N 2 2 324.472 3.728 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(CNc2cc[nH+]cc2Cl)cc1F ZINC000301596084 336317215 /nfs/dbraw/zinc/31/72/15/336317215.db2.gz SCNJKXIFHKJRGL-UHFFFAOYSA-N 2 2 316.767 3.980 20 0 DHADLP CC(C)c1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301816237 336331979 /nfs/dbraw/zinc/33/19/79/336331979.db2.gz JEWBOFHURQDXQB-MRXNPFEDSA-N 2 2 316.493 3.788 20 0 DHADLP CC(C)c1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc(C(C)C)[nH+]1 ZINC000301868784 336335292 /nfs/dbraw/zinc/33/52/92/336335292.db2.gz JBJSBZNDJJFJGU-HOCLYGCPSA-N 2 2 302.466 3.762 20 0 DHADLP CC(C)c1cc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc(C(C)C)[nH+]1 ZINC000301868784 336335293 /nfs/dbraw/zinc/33/52/93/336335293.db2.gz JBJSBZNDJJFJGU-HOCLYGCPSA-N 2 2 302.466 3.762 20 0 DHADLP CC1CCN(c2ccc(CNc3[nH]c4ccccc4[nH+]3)c[nH+]2)CC1 ZINC000301873044 336335602 /nfs/dbraw/zinc/33/56/02/336335602.db2.gz JGDJDUKPPDDDPC-UHFFFAOYSA-N 2 2 321.428 3.806 20 0 DHADLP Cc1ccc(CNc2cc[nH+]c(C(C)C)n2)c(N2CCCC2)[nH+]1 ZINC000302049132 336345550 /nfs/dbraw/zinc/34/55/50/336345550.db2.gz MRLVCESNIKXXQF-UHFFFAOYSA-N 2 2 311.433 3.516 20 0 DHADLP Cc1ccc2[nH+]ccc(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000302225987 336354905 /nfs/dbraw/zinc/35/49/05/336354905.db2.gz PCZZWFKHZAJAQD-BEFAXECRSA-N 2 2 306.413 3.827 20 0 DHADLP CC[NH+]1CCC(N(C)c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000302794149 336369398 /nfs/dbraw/zinc/36/93/98/336369398.db2.gz NPGWLRVLJKVUJN-UHFFFAOYSA-N 2 2 318.509 3.818 20 0 DHADLP Cc1cccc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000302800182 336369738 /nfs/dbraw/zinc/36/97/38/336369738.db2.gz BWUSDLDXOVMLSG-DOTOQJQBSA-N 2 2 303.356 3.526 20 0 DHADLP Cc1cccc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000302800182 336369739 /nfs/dbraw/zinc/36/97/39/336369739.db2.gz BWUSDLDXOVMLSG-DOTOQJQBSA-N 2 2 303.356 3.526 20 0 DHADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352905875 336375816 /nfs/dbraw/zinc/37/58/16/336375816.db2.gz BBJSTBZAYYPPSF-JLSDUUJJSA-N 2 2 302.462 3.609 20 0 DHADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352905875 336375817 /nfs/dbraw/zinc/37/58/17/336375817.db2.gz BBJSTBZAYYPPSF-JLSDUUJJSA-N 2 2 302.462 3.609 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c(Cl)oc4ccccc43)[C@@H]2C1 ZINC000352930257 336377963 /nfs/dbraw/zinc/37/79/63/336377963.db2.gz JQOOBEMIMYMHFS-IUODEOHRSA-N 2 2 304.821 3.612 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c(Cl)oc4ccccc43)[C@@H]2C1 ZINC000352930257 336377964 /nfs/dbraw/zinc/37/79/64/336377964.db2.gz JQOOBEMIMYMHFS-IUODEOHRSA-N 2 2 304.821 3.612 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c(Cl)oc4ccccc43)[C@@H]2C1 ZINC000352930257 336377965 /nfs/dbraw/zinc/37/79/65/336377965.db2.gz JQOOBEMIMYMHFS-IUODEOHRSA-N 2 2 304.821 3.612 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c(Cl)oc4ccccc43)[C@@H]2C1 ZINC000352930257 336377966 /nfs/dbraw/zinc/37/79/66/336377966.db2.gz JQOOBEMIMYMHFS-IUODEOHRSA-N 2 2 304.821 3.612 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000582245804 336392727 /nfs/dbraw/zinc/39/27/27/336392727.db2.gz ZIHUNTGMPBFPMC-SAABIXHNSA-N 2 2 301.478 3.604 20 0 DHADLP FCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000353437960 336417850 /nfs/dbraw/zinc/41/78/50/336417850.db2.gz SWGXBFAEQCWSPA-MSOLQXFVSA-N 2 2 301.409 3.549 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)c[nH+]1 ZINC000354352582 336467765 /nfs/dbraw/zinc/46/77/65/336467765.db2.gz QPUMRZWTJGWBRC-ROUUACIJSA-N 2 2 304.478 3.754 20 0 DHADLP CCCCCn1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)c(C)n1 ZINC000354547464 336474376 /nfs/dbraw/zinc/47/43/76/336474376.db2.gz STVCLBJSUSEAPQ-UHFFFAOYSA-N 2 2 314.477 3.808 20 0 DHADLP c1cn(CC[NH2+]CC(Cc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC000356131799 336537628 /nfs/dbraw/zinc/53/76/28/336537628.db2.gz UHZVUFLZQGINGN-UHFFFAOYSA-N 2 2 319.452 3.574 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccnc2)c(C)c1 ZINC000358348717 336625501 /nfs/dbraw/zinc/62/55/01/336625501.db2.gz WDCFSKXXTGPBKI-FXAWDEMLSA-N 2 2 320.440 3.987 20 0 DHADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ncc(Cl)s1 ZINC000359123409 336658906 /nfs/dbraw/zinc/65/89/06/336658906.db2.gz CEINMTAGROJQEU-UHFFFAOYSA-N 2 2 315.914 3.931 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000359379822 336670174 /nfs/dbraw/zinc/67/01/74/336670174.db2.gz DRBKUZWOQTUCKR-IBGZPJMESA-N 2 2 316.489 3.617 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCc1ccsc1)CCC2 ZINC000360966988 336730172 /nfs/dbraw/zinc/73/01/72/336730172.db2.gz SXVMNJABPKAVBY-XJKSGUPXSA-N 2 2 303.475 3.741 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(-c2nccn2C)c1 ZINC000368029522 336835948 /nfs/dbraw/zinc/83/59/48/336835948.db2.gz JPEREIANOIIADV-UHFFFAOYSA-N 2 2 320.440 3.513 20 0 DHADLP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000121882655 336982130 /nfs/dbraw/zinc/98/21/30/336982130.db2.gz BIPVRYDYRFEYIA-IKGGRYGDSA-N 2 2 310.445 3.572 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCc1ccc(F)cc1)CCC2 ZINC000374576635 336992888 /nfs/dbraw/zinc/99/28/88/336992888.db2.gz PPBWYDALQGFRKS-PBHICJAKSA-N 2 2 315.436 3.819 20 0 DHADLP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000374659960 336994420 /nfs/dbraw/zinc/99/44/20/336994420.db2.gz RDGXXDQFRUXVEO-CQSZACIVSA-N 2 2 317.864 3.636 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375270122 337007041 /nfs/dbraw/zinc/00/70/41/337007041.db2.gz UAETYPRCOZLUCG-AWEZNQCLSA-N 2 2 315.486 3.662 20 0 DHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCC(C)C)[C@@H]1c1cnn(C)c1 ZINC000375345423 337008746 /nfs/dbraw/zinc/00/87/46/337008746.db2.gz OFDYXJIDTRLNFM-PKOBYXMFSA-N 2 2 320.525 3.561 20 0 DHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCC(C)C)[C@@H]1c1cnn(C)c1 ZINC000375345423 337008747 /nfs/dbraw/zinc/00/87/47/337008747.db2.gz OFDYXJIDTRLNFM-PKOBYXMFSA-N 2 2 320.525 3.561 20 0 DHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCC(C)C)[C@@H]1c1cnn(C)c1 ZINC000375345423 337008748 /nfs/dbraw/zinc/00/87/48/337008748.db2.gz OFDYXJIDTRLNFM-PKOBYXMFSA-N 2 2 320.525 3.561 20 0 DHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCC(C)C)[C@@H]1c1cnn(C)c1 ZINC000375345423 337008749 /nfs/dbraw/zinc/00/87/49/337008749.db2.gz OFDYXJIDTRLNFM-PKOBYXMFSA-N 2 2 320.525 3.561 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cnn(C(C)C)c1C)CCC2 ZINC000375484188 337011931 /nfs/dbraw/zinc/01/19/31/337011931.db2.gz NOVUURRBKPFBGW-ZBFHGGJFSA-N 2 2 315.465 3.506 20 0 DHADLP Fc1ccccc1[C@H](F)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000375631260 337015185 /nfs/dbraw/zinc/01/51/85/337015185.db2.gz PAOXFDUXMJRGDG-GOSISDBHSA-N 2 2 319.399 3.835 20 0 DHADLP C[C@@H]1C[C@H](Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)CC[N@@H+]1C ZINC000376168783 337028828 /nfs/dbraw/zinc/02/88/28/337028828.db2.gz YCCDTDWFINMKGF-CRAIPNDOSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@@H]1C[C@H](Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)CC[N@H+]1C ZINC000376168783 337028829 /nfs/dbraw/zinc/02/88/29/337028829.db2.gz YCCDTDWFINMKGF-CRAIPNDOSA-N 2 2 324.472 3.781 20 0 DHADLP Cc1cnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000122942390 337030713 /nfs/dbraw/zinc/03/07/13/337030713.db2.gz WZGIFXQWCGBBLQ-CYBMUJFWSA-N 2 2 312.442 3.796 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1C[C@@H](c3ccccc3)C1(C)C)C2 ZINC000376377860 337032304 /nfs/dbraw/zinc/03/23/04/337032304.db2.gz WUDDDKPKDLSDDK-BZSNNMDCSA-N 2 2 309.457 3.678 20 0 DHADLP Cc1ccc([C@H](C[NH2+]C2CCC3(CCCO3)CC2)[NH+](C)C)cc1 ZINC000376403161 337032647 /nfs/dbraw/zinc/03/26/47/337032647.db2.gz XRCSCLZYZGCMMA-GPJFCIFZSA-N 2 2 316.489 3.679 20 0 DHADLP C[C@H]([NH2+]C1CCC2(CCCO2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000376416991 337033008 /nfs/dbraw/zinc/03/30/08/337033008.db2.gz VSGOJGOYEHQOGP-OXHPOLQJSA-N 2 2 316.489 3.759 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ncc(-c3ccccc3)o1)C2 ZINC000376489265 337034721 /nfs/dbraw/zinc/03/47/21/337034721.db2.gz CLYVXLFOBGOYCT-GOEBONIOSA-N 2 2 322.412 3.512 20 0 DHADLP c1csc(-c2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cs2)c1 ZINC000376493752 337034955 /nfs/dbraw/zinc/03/49/55/337034955.db2.gz XBXLZYHTFGLJAJ-JSGCOSHPSA-N 2 2 319.499 3.588 20 0 DHADLP c1csc(-c2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cs2)c1 ZINC000376493752 337034956 /nfs/dbraw/zinc/03/49/56/337034956.db2.gz XBXLZYHTFGLJAJ-JSGCOSHPSA-N 2 2 319.499 3.588 20 0 DHADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000376692041 337039600 /nfs/dbraw/zinc/03/96/00/337039600.db2.gz UYOLOSDTXPAOEU-QMMLZNLJSA-N 2 2 323.484 3.685 20 0 DHADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000376692041 337039601 /nfs/dbraw/zinc/03/96/01/337039601.db2.gz UYOLOSDTXPAOEU-QMMLZNLJSA-N 2 2 323.484 3.685 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1nccs1 ZINC000376806353 337041672 /nfs/dbraw/zinc/04/16/72/337041672.db2.gz JLRBYQDOSJSIEI-OUCADQQQSA-N 2 2 307.488 3.548 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1nccs1 ZINC000376806353 337041673 /nfs/dbraw/zinc/04/16/73/337041673.db2.gz JLRBYQDOSJSIEI-OUCADQQQSA-N 2 2 307.488 3.548 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000376806352 337041706 /nfs/dbraw/zinc/04/17/06/337041706.db2.gz JLRBYQDOSJSIEI-OBJOEFQTSA-N 2 2 307.488 3.548 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000376806352 337041707 /nfs/dbraw/zinc/04/17/07/337041707.db2.gz JLRBYQDOSJSIEI-OBJOEFQTSA-N 2 2 307.488 3.548 20 0 DHADLP Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)no1 ZINC000377014383 337045459 /nfs/dbraw/zinc/04/54/59/337045459.db2.gz MMWNMQAETORXGK-LJQANCHMSA-N 2 2 322.412 3.814 20 0 DHADLP Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)no1 ZINC000377014383 337045460 /nfs/dbraw/zinc/04/54/60/337045460.db2.gz MMWNMQAETORXGK-LJQANCHMSA-N 2 2 322.412 3.814 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000377173105 337048041 /nfs/dbraw/zinc/04/80/41/337048041.db2.gz BKBHIACIVCCZEA-HKUYNNGSSA-N 2 2 309.457 3.644 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000377173105 337048042 /nfs/dbraw/zinc/04/80/42/337048042.db2.gz BKBHIACIVCCZEA-HKUYNNGSSA-N 2 2 309.457 3.644 20 0 DHADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377256096 337049602 /nfs/dbraw/zinc/04/96/02/337049602.db2.gz JUTZQEGLEFUREC-BVBHFADKSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377256096 337049603 /nfs/dbraw/zinc/04/96/03/337049603.db2.gz JUTZQEGLEFUREC-BVBHFADKSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377367113 337051192 /nfs/dbraw/zinc/05/11/92/337051192.db2.gz BTWAKMNYACSDFW-UXPWSPDFSA-N 2 2 309.457 3.767 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377367113 337051193 /nfs/dbraw/zinc/05/11/93/337051193.db2.gz BTWAKMNYACSDFW-UXPWSPDFSA-N 2 2 309.457 3.767 20 0 DHADLP C[C@H](c1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377367113 337051194 /nfs/dbraw/zinc/05/11/94/337051194.db2.gz BTWAKMNYACSDFW-UXPWSPDFSA-N 2 2 309.457 3.767 20 0 DHADLP C[C@H](c1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377367113 337051195 /nfs/dbraw/zinc/05/11/95/337051195.db2.gz BTWAKMNYACSDFW-UXPWSPDFSA-N 2 2 309.457 3.767 20 0 DHADLP c1ccc(C[N@@H+]2C[C@@H]([NH2+]C3CCSCC3)C[C@H]2C2CC2)cc1 ZINC000377405059 337052129 /nfs/dbraw/zinc/05/21/29/337052129.db2.gz XASAUGVXDKNPJX-OALUTQOASA-N 2 2 316.514 3.525 20 0 DHADLP c1ccc(C[N@H+]2C[C@@H]([NH2+]C3CCSCC3)C[C@H]2C2CC2)cc1 ZINC000377405059 337052130 /nfs/dbraw/zinc/05/21/30/337052130.db2.gz XASAUGVXDKNPJX-OALUTQOASA-N 2 2 316.514 3.525 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000377411564 337052323 /nfs/dbraw/zinc/05/23/23/337052323.db2.gz LRQYUJMNOHHTCO-GWCFXTLKSA-N 2 2 309.335 3.637 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000377411564 337052324 /nfs/dbraw/zinc/05/23/24/337052324.db2.gz LRQYUJMNOHHTCO-GWCFXTLKSA-N 2 2 309.335 3.637 20 0 DHADLP COc1cc([C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1F ZINC000377549788 337054928 /nfs/dbraw/zinc/05/49/28/337054928.db2.gz MPTUSVDNBPTFHK-XJKSGUPXSA-N 2 2 317.408 3.565 20 0 DHADLP COc1cc([C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1F ZINC000377549788 337054929 /nfs/dbraw/zinc/05/49/29/337054929.db2.gz MPTUSVDNBPTFHK-XJKSGUPXSA-N 2 2 317.408 3.565 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000377629253 337056888 /nfs/dbraw/zinc/05/68/88/337056888.db2.gz SGQHUNIFAXYRLI-LEWJYISDSA-N 3 2 323.484 3.605 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000377629253 337056889 /nfs/dbraw/zinc/05/68/89/337056889.db2.gz SGQHUNIFAXYRLI-LEWJYISDSA-N 3 2 323.484 3.605 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1Cl ZINC000377798686 337061297 /nfs/dbraw/zinc/06/12/97/337061297.db2.gz LMFIDEHHZNZSTN-GXSJLCMTSA-N 2 2 310.228 3.925 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCS2 ZINC000377798885 337061421 /nfs/dbraw/zinc/06/14/21/337061421.db2.gz NYTOWDOYUJMNKB-HIFRSBDPSA-N 2 2 313.470 3.711 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCS2 ZINC000377798885 337061422 /nfs/dbraw/zinc/06/14/22/337061422.db2.gz NYTOWDOYUJMNKB-HIFRSBDPSA-N 2 2 313.470 3.711 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000377890699 337063528 /nfs/dbraw/zinc/06/35/28/337063528.db2.gz XWSPHLHVIFTYSR-GFCCVEGCSA-N 2 2 310.228 3.716 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000377890699 337063529 /nfs/dbraw/zinc/06/35/29/337063529.db2.gz XWSPHLHVIFTYSR-GFCCVEGCSA-N 2 2 310.228 3.716 20 0 DHADLP CSc1ccc([C@@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000377903588 337063603 /nfs/dbraw/zinc/06/36/03/337063603.db2.gz FVRUMPDYDSCMLU-OCCSQVGLSA-N 2 2 319.449 3.832 20 0 DHADLP CSc1ccc([C@@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000377903588 337063604 /nfs/dbraw/zinc/06/36/04/337063604.db2.gz FVRUMPDYDSCMLU-OCCSQVGLSA-N 2 2 319.449 3.832 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCc1cccc(F)c1)CCC2 ZINC000378183246 337067870 /nfs/dbraw/zinc/06/78/70/337067870.db2.gz LAPVDWLESGPFCI-PBHICJAKSA-N 2 2 315.436 3.819 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCc1cccc(C)c1)CCC2 ZINC000378184857 337067919 /nfs/dbraw/zinc/06/79/19/337067919.db2.gz QEBYGMGMXKVLMJ-APWZRJJASA-N 2 2 311.473 3.988 20 0 DHADLP c1cn(CCC[NH2+][C@H]2CCCOc3c4ccccc4ccc32)c[nH+]1 ZINC000378189874 337068006 /nfs/dbraw/zinc/06/80/06/337068006.db2.gz AEBOMKOUGZOHQB-IBGZPJMESA-N 2 2 321.424 3.930 20 0 DHADLP Cn1cc[nH+]c1-c1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000378403294 337071946 /nfs/dbraw/zinc/07/19/46/337071946.db2.gz XLLSGOZVEPDVPN-LJQANCHMSA-N 2 2 303.409 3.864 20 0 DHADLP Cc1nc2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2s1 ZINC000582546159 337103224 /nfs/dbraw/zinc/10/32/24/337103224.db2.gz CUDTYRWGXUFKCS-RDJZCZTQSA-N 2 2 315.486 3.711 20 0 DHADLP Cc1nc2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2s1 ZINC000582546159 337103225 /nfs/dbraw/zinc/10/32/25/337103225.db2.gz CUDTYRWGXUFKCS-RDJZCZTQSA-N 2 2 315.486 3.711 20 0 DHADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCc4ccccc43)cc2)c[nH+]1 ZINC000177933655 337159176 /nfs/dbraw/zinc/15/91/76/337159176.db2.gz INHYBZJCLCPQPP-HXUWFJFHSA-N 2 2 303.409 3.709 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000182093811 337184425 /nfs/dbraw/zinc/18/44/25/337184425.db2.gz CXODXSNKGJICBL-NKEDHYFDSA-N 2 2 313.420 3.527 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000182093811 337184426 /nfs/dbraw/zinc/18/44/26/337184426.db2.gz CXODXSNKGJICBL-NKEDHYFDSA-N 2 2 313.420 3.527 20 0 DHADLP CC(C)c1cnc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000183124653 337190003 /nfs/dbraw/zinc/19/00/03/337190003.db2.gz LJUZICBEJXJDGR-KBPBESRZSA-N 2 2 304.463 3.546 20 0 DHADLP CC(C)c1cnc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000183124653 337190004 /nfs/dbraw/zinc/19/00/04/337190004.db2.gz LJUZICBEJXJDGR-KBPBESRZSA-N 2 2 304.463 3.546 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000183043227 337191248 /nfs/dbraw/zinc/19/12/48/337191248.db2.gz FNJAFWAICWQQPR-UHFFFAOYSA-N 2 2 321.424 3.739 20 0 DHADLP Cc1cncc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000184419639 337197179 /nfs/dbraw/zinc/19/71/79/337197179.db2.gz RMHRUDULQXZLRV-DLBZAZTESA-N 2 2 324.472 3.661 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000184530003 337198352 /nfs/dbraw/zinc/19/83/52/337198352.db2.gz ACMGXZSZSQVMJI-NSHDSACASA-N 2 2 324.683 3.843 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(Cl)(Cl)Cl)C1 ZINC000184530003 337198353 /nfs/dbraw/zinc/19/83/53/337198353.db2.gz ACMGXZSZSQVMJI-NSHDSACASA-N 2 2 324.683 3.843 20 0 DHADLP ClC(Cl)(Cl)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000184578537 337198698 /nfs/dbraw/zinc/19/86/98/337198698.db2.gz OTTWLDFGDLRWMG-LBPRGKRZSA-N 2 2 313.700 3.555 20 0 DHADLP ClC(Cl)(Cl)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000184578537 337198699 /nfs/dbraw/zinc/19/86/99/337198699.db2.gz OTTWLDFGDLRWMG-LBPRGKRZSA-N 2 2 313.700 3.555 20 0 DHADLP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184731414 337199193 /nfs/dbraw/zinc/19/91/93/337199193.db2.gz OOJXLSSEFWDPQD-INIZCTEOSA-N 2 2 323.440 3.929 20 0 DHADLP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000184731414 337199194 /nfs/dbraw/zinc/19/91/94/337199194.db2.gz OOJXLSSEFWDPQD-INIZCTEOSA-N 2 2 323.440 3.929 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000184729795 337200159 /nfs/dbraw/zinc/20/01/59/337200159.db2.gz ZWYIHTROAHEUBN-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000184729795 337200160 /nfs/dbraw/zinc/20/01/60/337200160.db2.gz ZWYIHTROAHEUBN-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP C[C@H](c1ccsc1)[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000185479832 337205800 /nfs/dbraw/zinc/20/58/00/337205800.db2.gz VSEJHXMAFAXNKO-GFCCVEGCSA-N 2 2 307.850 3.680 20 0 DHADLP C[C@H](C[NH2+][C@H](C)C1CCSCC1)[N@H+](C)Cc1ccccc1 ZINC000187191088 337263646 /nfs/dbraw/zinc/26/36/46/337263646.db2.gz AGLZUJPHLTXZCK-HZPDHXFCSA-N 2 2 306.519 3.628 20 0 DHADLP C[C@H](C[NH2+][C@H](C)C1CCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000187191088 337263647 /nfs/dbraw/zinc/26/36/47/337263647.db2.gz AGLZUJPHLTXZCK-HZPDHXFCSA-N 2 2 306.519 3.628 20 0 DHADLP C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000188028864 337270251 /nfs/dbraw/zinc/27/02/51/337270251.db2.gz RPSUWWOUPDJPPC-AEFFLSMTSA-N 2 2 301.478 3.604 20 0 DHADLP CC(C)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000188707395 337274406 /nfs/dbraw/zinc/27/44/06/337274406.db2.gz ZNHDYFJLMCVXNF-AEFFLSMTSA-N 2 2 303.494 3.564 20 0 DHADLP CC(C)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000188707395 337274407 /nfs/dbraw/zinc/27/44/07/337274407.db2.gz ZNHDYFJLMCVXNF-AEFFLSMTSA-N 2 2 303.494 3.564 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCOc4c(C)cccc43)n2c1 ZINC000188948812 337276832 /nfs/dbraw/zinc/27/68/32/337276832.db2.gz XTRUACMITSPHEB-KRWDZBQOSA-N 2 2 307.397 3.565 20 0 DHADLP C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000583257103 337291189 /nfs/dbraw/zinc/29/11/89/337291189.db2.gz GDCFHVPBOPYBOJ-ISTRZQFTSA-N 2 2 304.434 3.707 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1F ZINC000398005947 337303603 /nfs/dbraw/zinc/30/36/03/337303603.db2.gz GWMZGKJMBSAUBY-OXQOHEQNSA-N 2 2 312.432 3.826 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1F ZINC000398005947 337303604 /nfs/dbraw/zinc/30/36/04/337303604.db2.gz GWMZGKJMBSAUBY-OXQOHEQNSA-N 2 2 312.432 3.826 20 0 DHADLP C/C(=C\c1ccccc1)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000192667033 337305994 /nfs/dbraw/zinc/30/59/94/337305994.db2.gz VQUCDSYZVIZLCT-BMRADRMJSA-N 2 2 307.441 3.744 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2sccc2Cl)cn1 ZINC000193014785 337308858 /nfs/dbraw/zinc/30/88/58/337308858.db2.gz WQDJGHDIQVFCEE-UHFFFAOYSA-N 2 2 318.833 3.580 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2)cn1 ZINC000126461648 337416832 /nfs/dbraw/zinc/41/68/32/337416832.db2.gz WLBXYTFQOYUKSW-ZDUSSCGKSA-N 2 2 310.376 3.566 20 0 DHADLP c1ccc(N2CCC([NH2+][C@@H]3CCCOc4ccccc43)CC2)[nH+]c1 ZINC000133584570 337445739 /nfs/dbraw/zinc/44/57/39/337445739.db2.gz KNQHWDHMYRAHMF-GOSISDBHSA-N 2 2 323.440 3.554 20 0 DHADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)n1C ZINC000419691553 337491539 /nfs/dbraw/zinc/49/15/39/337491539.db2.gz MLOJDQVKRFLYMR-SFHVURJKSA-N 2 2 312.461 3.507 20 0 DHADLP Cc1nc([C@H](C)[NH+]2CCC([NH3+])CC2)oc1-c1ccc(Cl)cc1 ZINC000420274874 337498191 /nfs/dbraw/zinc/49/81/91/337498191.db2.gz OXWAOWFOJXVNGT-LBPRGKRZSA-N 2 2 319.836 3.788 20 0 DHADLP CC[C@@H](C)c1ccc([C@@H]([NH2+]Cc2noc(C[NH3+])n2)C(C)C)cc1 ZINC000420364602 337499794 /nfs/dbraw/zinc/49/97/94/337499794.db2.gz DBRZAOWPUKTDDV-ACJLOTCBSA-N 2 2 316.449 3.529 20 0 DHADLP Cc1c(Cl)c(C[NH+]2CCC3(CC[NH2+]3)CC2)nc2ccccc12 ZINC000422640196 337683333 /nfs/dbraw/zinc/68/33/33/337683333.db2.gz UZBZNJFJYKRLAH-UHFFFAOYSA-N 2 2 315.848 3.525 20 0 DHADLP COc1ccc(-c2csc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422816547 337687779 /nfs/dbraw/zinc/68/77/79/337687779.db2.gz ARKLEQJJYPSBQX-FZKQIMNGSA-N 2 2 316.470 3.654 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)c2ccccc21 ZINC000422938557 337692580 /nfs/dbraw/zinc/69/25/80/337692580.db2.gz HDVOFIPYMXMJIV-IKGGRYGDSA-N 2 2 314.816 3.898 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccc1OCC(C)C ZINC000422941147 337692614 /nfs/dbraw/zinc/69/26/14/337692614.db2.gz NWXFGHSPSDEDQZ-INMHGKMJSA-N 2 2 320.477 3.521 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2N2CCCCC2)c2ccccc21 ZINC000423043266 337696901 /nfs/dbraw/zinc/69/69/01/337696901.db2.gz OBJZJWPQXFPHMK-WOJBJXKFSA-N 2 2 321.468 3.911 20 0 DHADLP CC[C@@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423128654 337700715 /nfs/dbraw/zinc/70/07/15/337700715.db2.gz WBYMOSRNFTWASJ-XHSDSOJGSA-N 2 2 314.395 3.528 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CCC[NH2+]C3)cs2)cs1 ZINC000423196742 337703385 /nfs/dbraw/zinc/70/33/85/337703385.db2.gz WBILQUAONWIQAY-GXFFZTMASA-N 2 2 307.488 3.583 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423242007 337706851 /nfs/dbraw/zinc/70/68/51/337706851.db2.gz DTQAAJIOKIDKGE-FZKQIMNGSA-N 2 2 304.384 3.576 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000423246792 337707202 /nfs/dbraw/zinc/70/72/02/337707202.db2.gz QALSBGTUWFNCKQ-MOPGFXCFSA-N 2 2 316.489 3.749 20 0 DHADLP CSC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000423274824 337708888 /nfs/dbraw/zinc/70/88/88/337708888.db2.gz MPODSQXWYHDICI-KBPBESRZSA-N 2 2 320.424 3.682 20 0 DHADLP CCC([NH3+])(CC)C[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000423288178 337709578 /nfs/dbraw/zinc/70/95/78/337709578.db2.gz QWDFMTUMQPENTH-AWEZNQCLSA-N 2 2 318.383 3.500 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000423297087 337711021 /nfs/dbraw/zinc/71/10/21/337711021.db2.gz IQZHYHPZHPEYTQ-UKRRQHHQSA-N 2 2 303.475 3.978 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000423302305 337711094 /nfs/dbraw/zinc/71/10/94/337711094.db2.gz VKAYCIHQZYZHQK-PWSUYJOCSA-N 2 2 304.356 3.595 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc2ccccc2c1OC(F)F ZINC000423332855 337712462 /nfs/dbraw/zinc/71/24/62/337712462.db2.gz RHVBTQJDFIDRKR-LBPRGKRZSA-N 2 2 320.383 3.973 20 0 DHADLP CSc1cccc([C@H]([NH2+][C@H](C)C[NH3+])c2ccc(F)c(F)c2)c1 ZINC000423343291 337713060 /nfs/dbraw/zinc/71/30/60/337713060.db2.gz ZWMWZMHTWIZRNF-DIFFPNOSSA-N 2 2 322.424 3.713 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000423383479 337717909 /nfs/dbraw/zinc/71/79/09/337717909.db2.gz PEGLZIJEMSGQTR-WDMOLILDSA-N 2 2 311.267 3.585 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1csc(-c2ccccc2F)n1 ZINC000423387055 337718076 /nfs/dbraw/zinc/71/80/76/337718076.db2.gz HJJIIUPTEVIOGM-HUBLWGQQSA-N 2 2 319.449 3.598 20 0 DHADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423535316 337724809 /nfs/dbraw/zinc/72/48/09/337724809.db2.gz XKYXEJSFSDSUPO-TYCQWZJGSA-N 2 2 324.468 3.880 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](C)C)CCC2 ZINC000325823877 337739856 /nfs/dbraw/zinc/73/98/56/337739856.db2.gz NJNIPHNWRZNZPO-NHCUHLMSSA-N 2 2 324.468 3.965 20 0 DHADLP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C(C)C)cc1 ZINC000536962253 337858532 /nfs/dbraw/zinc/85/85/32/337858532.db2.gz HCOHYSWNXHUYJL-GOSISDBHSA-N 2 2 301.434 3.659 20 0 DHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@@H]1C1CC1)C2 ZINC000537000561 337861309 /nfs/dbraw/zinc/86/13/09/337861309.db2.gz IZSJMMAJWKEZNB-XHSDSOJGSA-N 2 2 301.478 3.664 20 0 DHADLP CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090810329 337886092 /nfs/dbraw/zinc/88/60/92/337886092.db2.gz FVPJJTHEPGKZSI-QAPCUYQASA-N 2 2 315.461 3.566 20 0 DHADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000426347075 338028207 /nfs/dbraw/zinc/02/82/07/338028207.db2.gz KHVOJICGSARZNT-UHFFFAOYSA-N 2 2 319.493 3.822 20 0 DHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428855290 338062625 /nfs/dbraw/zinc/06/26/25/338062625.db2.gz CVROUEPSLUOIRD-ZDUSSCGKSA-N 2 2 321.465 3.645 20 0 DHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428855290 338062626 /nfs/dbraw/zinc/06/26/26/338062626.db2.gz CVROUEPSLUOIRD-ZDUSSCGKSA-N 2 2 321.465 3.645 20 0 DHADLP CCCC[NH+]1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428879832 338064399 /nfs/dbraw/zinc/06/43/99/338064399.db2.gz DUWBMHBXYROIQO-UHFFFAOYSA-N 2 2 321.465 3.790 20 0 DHADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429027639 338069324 /nfs/dbraw/zinc/06/93/24/338069324.db2.gz BHMLGQHGSPMVEB-CJNGLKHVSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429027639 338069325 /nfs/dbraw/zinc/06/93/25/338069325.db2.gz BHMLGQHGSPMVEB-CJNGLKHVSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1ccccc1Br)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429027639 338069326 /nfs/dbraw/zinc/06/93/26/338069326.db2.gz BHMLGQHGSPMVEB-CJNGLKHVSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1ccccc1Br)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429027639 338069327 /nfs/dbraw/zinc/06/93/27/338069327.db2.gz BHMLGQHGSPMVEB-CJNGLKHVSA-N 2 2 323.278 3.538 20 0 DHADLP C[N@@H+]1CC[C@]2(CC[NH+](CCc3cccc(Cl)c3Cl)C2)C1 ZINC000429036020 338069586 /nfs/dbraw/zinc/06/95/86/338069586.db2.gz ORUUCUDMLZCVCC-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP C[N@H+]1CC[C@]2(CC[NH+](CCc3cccc(Cl)c3Cl)C2)C1 ZINC000429036020 338069587 /nfs/dbraw/zinc/06/95/87/338069587.db2.gz ORUUCUDMLZCVCC-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@H+](CCc3cccc(Cl)c3Cl)C2)C1 ZINC000429036020 338069588 /nfs/dbraw/zinc/06/95/88/338069588.db2.gz ORUUCUDMLZCVCC-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@@H+](CCc3cccc(Cl)c3Cl)C2)C1 ZINC000429036020 338069589 /nfs/dbraw/zinc/06/95/89/338069589.db2.gz ORUUCUDMLZCVCC-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000429525179 338082957 /nfs/dbraw/zinc/08/29/57/338082957.db2.gz AKDVQHVGQOVDHK-YQVWRLOYSA-N 2 2 316.489 3.759 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000429525179 338082958 /nfs/dbraw/zinc/08/29/58/338082958.db2.gz AKDVQHVGQOVDHK-YQVWRLOYSA-N 2 2 316.489 3.759 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429526405 338082995 /nfs/dbraw/zinc/08/29/95/338082995.db2.gz HHDVFTDHVWFGRJ-OAHLLOKOSA-N 2 2 319.474 3.628 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429526405 338082996 /nfs/dbraw/zinc/08/29/96/338082996.db2.gz HHDVFTDHVWFGRJ-OAHLLOKOSA-N 2 2 319.474 3.628 20 0 DHADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429709596 338088036 /nfs/dbraw/zinc/08/80/36/338088036.db2.gz QWMSJVZZLWGREB-FQEVSTJZSA-N 2 2 316.489 3.542 20 0 DHADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429709596 338088037 /nfs/dbraw/zinc/08/80/37/338088037.db2.gz QWMSJVZZLWGREB-FQEVSTJZSA-N 2 2 316.489 3.542 20 0 DHADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429709596 338088038 /nfs/dbraw/zinc/08/80/38/338088038.db2.gz QWMSJVZZLWGREB-FQEVSTJZSA-N 2 2 316.489 3.542 20 0 DHADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429709596 338088039 /nfs/dbraw/zinc/08/80/39/338088039.db2.gz QWMSJVZZLWGREB-FQEVSTJZSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000430617252 338109787 /nfs/dbraw/zinc/10/97/87/338109787.db2.gz LAWWHOAOYXSPHX-PXAZEXFGSA-N 2 2 319.836 3.697 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000430617252 338109788 /nfs/dbraw/zinc/10/97/88/338109788.db2.gz LAWWHOAOYXSPHX-PXAZEXFGSA-N 2 2 319.836 3.697 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000430768665 338114515 /nfs/dbraw/zinc/11/45/15/338114515.db2.gz PTOKXTUGRNMBHJ-KBAYOESNSA-N 2 2 322.443 3.922 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000430768665 338114516 /nfs/dbraw/zinc/11/45/16/338114516.db2.gz PTOKXTUGRNMBHJ-KBAYOESNSA-N 2 2 322.443 3.922 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cs2)cc1 ZINC000430931268 338119017 /nfs/dbraw/zinc/11/90/17/338119017.db2.gz BAWOFHKLYRKORS-SUMWQHHRSA-N 2 2 315.486 3.542 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cs2)cc1 ZINC000430931268 338119018 /nfs/dbraw/zinc/11/90/18/338119018.db2.gz BAWOFHKLYRKORS-SUMWQHHRSA-N 2 2 315.486 3.542 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432231965 338149386 /nfs/dbraw/zinc/14/93/86/338149386.db2.gz KJSVVTISSJSIOO-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432231965 338149387 /nfs/dbraw/zinc/14/93/87/338149387.db2.gz KJSVVTISSJSIOO-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP Fc1ccc2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2c1 ZINC000432742934 338165591 /nfs/dbraw/zinc/16/55/91/338165591.db2.gz RCYCTOKMLTWMOS-LLVKDONJSA-N 2 2 316.405 3.538 20 0 DHADLP Fc1ccc2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2c1 ZINC000432742934 338165592 /nfs/dbraw/zinc/16/55/92/338165592.db2.gz RCYCTOKMLTWMOS-LLVKDONJSA-N 2 2 316.405 3.538 20 0 DHADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1nc2ccc(F)cc2s1 ZINC000432745990 338165826 /nfs/dbraw/zinc/16/58/26/338165826.db2.gz GFWUERKMUCHOBD-CQSZACIVSA-N 2 2 321.465 3.742 20 0 DHADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1nc2ccc(F)cc2s1 ZINC000432745990 338165827 /nfs/dbraw/zinc/16/58/27/338165827.db2.gz GFWUERKMUCHOBD-CQSZACIVSA-N 2 2 321.465 3.742 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1nc2ccc(F)cc2s1 ZINC000432745990 338165828 /nfs/dbraw/zinc/16/58/28/338165828.db2.gz GFWUERKMUCHOBD-CQSZACIVSA-N 2 2 321.465 3.742 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1nc2ccc(F)cc2s1 ZINC000432745990 338165829 /nfs/dbraw/zinc/16/58/29/338165829.db2.gz GFWUERKMUCHOBD-CQSZACIVSA-N 2 2 321.465 3.742 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC(C)(C)CC1 ZINC000434683286 338223285 /nfs/dbraw/zinc/22/32/85/338223285.db2.gz FWVYIZVVOFSZKI-UHFFFAOYSA-N 2 2 315.486 3.898 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC(C)(C)CC1 ZINC000434683286 338223286 /nfs/dbraw/zinc/22/32/86/338223286.db2.gz FWVYIZVVOFSZKI-UHFFFAOYSA-N 2 2 315.486 3.898 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1nccs1 ZINC000153412151 338224142 /nfs/dbraw/zinc/22/41/42/338224142.db2.gz IXEVOEJBJBFTCK-DZKIICNBSA-N 2 2 307.507 3.837 20 0 DHADLP Clc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000435060763 338231422 /nfs/dbraw/zinc/23/14/22/338231422.db2.gz MTUAEOSOWNBNHC-UHFFFAOYSA-N 2 2 319.836 3.845 20 0 DHADLP CC[N@H+](Cc1nc(-c2ccccc2)oc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435625735 338243795 /nfs/dbraw/zinc/24/37/95/338243795.db2.gz IZPRSWQRIWJEEL-QGZVFWFLSA-N 2 2 313.445 3.614 20 0 DHADLP CC[N@@H+](Cc1nc(-c2ccccc2)oc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435625735 338243796 /nfs/dbraw/zinc/24/37/96/338243796.db2.gz IZPRSWQRIWJEEL-QGZVFWFLSA-N 2 2 313.445 3.614 20 0 DHADLP C[N@H+](Cc1csc(-c2ccccc2F)n1)[C@H]1CCC[NH2+]CC1 ZINC000435619667 338243803 /nfs/dbraw/zinc/24/38/03/338243803.db2.gz ZRPZRNQOQQTQPH-AWEZNQCLSA-N 2 2 319.449 3.523 20 0 DHADLP C[N@@H+](Cc1csc(-c2ccccc2F)n1)[C@H]1CCC[NH2+]CC1 ZINC000435619667 338243804 /nfs/dbraw/zinc/24/38/04/338243804.db2.gz ZRPZRNQOQQTQPH-AWEZNQCLSA-N 2 2 319.449 3.523 20 0 DHADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000435740724 338247353 /nfs/dbraw/zinc/24/73/53/338247353.db2.gz LKMAFGBVRFPPFU-QZTJIDSGSA-N 2 2 315.461 3.798 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@@H](c3ccccc3)C1)CCC2 ZINC000436238254 338262862 /nfs/dbraw/zinc/26/28/62/338262862.db2.gz FSVKTIAXWYLOQK-QYZOEREBSA-N 2 2 309.457 3.995 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436309769 338268463 /nfs/dbraw/zinc/26/84/63/338268463.db2.gz PRWUDVGIYMQENP-YIBWGGGYSA-N 2 2 304.865 3.658 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000436309769 338268464 /nfs/dbraw/zinc/26/84/64/338268464.db2.gz PRWUDVGIYMQENP-YIBWGGGYSA-N 2 2 304.865 3.658 20 0 DHADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000437754993 338320192 /nfs/dbraw/zinc/32/01/92/338320192.db2.gz RNWKUDWPLURFST-RXVVDRJESA-N 2 2 319.452 3.977 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000437778370 338321086 /nfs/dbraw/zinc/32/10/86/338321086.db2.gz QXYBNJVYSLKFAA-CDHQVMDDSA-N 2 2 312.432 3.792 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000437778370 338321087 /nfs/dbraw/zinc/32/10/87/338321087.db2.gz QXYBNJVYSLKFAA-CDHQVMDDSA-N 2 2 312.432 3.792 20 0 DHADLP CC1CC[NH+]([C@@H](C[NH2+]CC[C@@H]2CCOC2)c2cccs2)CC1 ZINC000438073860 338329894 /nfs/dbraw/zinc/32/98/94/338329894.db2.gz NVZSQEXFGFNIBU-SJORKVTESA-N 2 2 322.518 3.537 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+]CC[C@@H]2CCOC2)c2cccs2)CC1 ZINC000438073858 338329938 /nfs/dbraw/zinc/32/99/38/338329938.db2.gz NVZSQEXFGFNIBU-IAGOWNOFSA-N 2 2 322.518 3.537 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000438077780 338330161 /nfs/dbraw/zinc/33/01/61/338330161.db2.gz MIBLIUDXZZQQTH-VQIMIIECSA-N 2 2 314.448 3.519 20 0 DHADLP C[C@H](C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000438101384 338331540 /nfs/dbraw/zinc/33/15/40/338331540.db2.gz AWNMGMUIZNTSSS-IIDMSEBBSA-N 2 2 301.409 3.709 20 0 DHADLP C[C@H](C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000438101384 338331541 /nfs/dbraw/zinc/33/15/41/338331541.db2.gz AWNMGMUIZNTSSS-IIDMSEBBSA-N 2 2 301.409 3.709 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438193718 338336089 /nfs/dbraw/zinc/33/60/89/338336089.db2.gz VWQWVIUTNJXPMQ-BARDWOONSA-N 2 2 306.416 3.960 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438193718 338336090 /nfs/dbraw/zinc/33/60/90/338336090.db2.gz VWQWVIUTNJXPMQ-BARDWOONSA-N 2 2 306.416 3.960 20 0 DHADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)c2ccccc21 ZINC000447589508 338560128 /nfs/dbraw/zinc/56/01/28/338560128.db2.gz XZQGFLGIALIKLF-NSISKUIASA-N 2 2 316.489 3.571 20 0 DHADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449078341 338591297 /nfs/dbraw/zinc/59/12/97/338591297.db2.gz UHBDOZWPPFEIOL-MUYFXNHWSA-N 2 2 308.510 3.721 20 0 DHADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000449094440 338592808 /nfs/dbraw/zinc/59/28/08/338592808.db2.gz ZGQWUVIVIYMGGM-HNNXBMFYSA-N 2 2 324.390 3.555 20 0 DHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccncc2F)CC1 ZINC000449150427 338597132 /nfs/dbraw/zinc/59/71/32/338597132.db2.gz RBNUVPRJGQVGIE-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000449152485 338597319 /nfs/dbraw/zinc/59/73/19/338597319.db2.gz FXOULAUDBPZYBP-NUJGCVRESA-N 2 2 310.526 3.680 20 0 DHADLP C[C@@H](C[NH2+]CCCNc1cccc[nH+]1)c1cc(F)cc(F)c1 ZINC000449221272 338603628 /nfs/dbraw/zinc/60/36/28/338603628.db2.gz GHCQEGSJUACNOY-ZDUSSCGKSA-N 2 2 305.372 3.555 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c2nccn21 ZINC000449571120 338638805 /nfs/dbraw/zinc/63/88/05/338638805.db2.gz KOVGDKFVDVMQRP-LMSBXDPUSA-N 2 2 316.493 3.522 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000449672584 338645474 /nfs/dbraw/zinc/64/54/74/338645474.db2.gz WRWPETHMPDAKCK-OAHLLOKOSA-N 2 2 306.416 3.962 20 0 DHADLP C[C@@H]1Cc2[nH+]cn(Cc3c[nH+]cn3Cc3ccccc3)c2C[C@@H]1C ZINC000451346636 338730520 /nfs/dbraw/zinc/73/05/20/338730520.db2.gz ULNMAWXWUKUGCZ-CVEARBPZSA-N 2 2 320.440 3.547 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000453090688 338792689 /nfs/dbraw/zinc/79/26/89/338792689.db2.gz YJCQPVMTERCKMO-QGZVFWFLSA-N 2 2 320.440 3.768 20 0 DHADLP Clc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCC2)cc1 ZINC000453201887 338807176 /nfs/dbraw/zinc/80/71/76/338807176.db2.gz NSAPRDAMYAKCJN-FUHWJXTLSA-N 2 2 315.848 3.982 20 0 DHADLP Cc1cc(F)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000459327063 339021926 /nfs/dbraw/zinc/02/19/26/339021926.db2.gz NRXXVOXKSBOQAL-UHFFFAOYSA-N 2 2 307.800 3.890 20 0 DHADLP FC1(F)CCC(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000459333395 339022544 /nfs/dbraw/zinc/02/25/44/339022544.db2.gz BBIHKLOBWWGMPD-OAHLLOKOSA-N 2 2 309.404 3.641 20 0 DHADLP FC1(F)CCC(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000459333395 339022545 /nfs/dbraw/zinc/02/25/45/339022545.db2.gz BBIHKLOBWWGMPD-OAHLLOKOSA-N 2 2 309.404 3.641 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459361212 339024492 /nfs/dbraw/zinc/02/44/92/339024492.db2.gz ZFDCKADPJWUMBO-OAHLLOKOSA-N 2 2 311.420 3.908 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459361212 339024493 /nfs/dbraw/zinc/02/44/93/339024493.db2.gz ZFDCKADPJWUMBO-OAHLLOKOSA-N 2 2 311.420 3.908 20 0 DHADLP Clc1cccc(CC[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000459381685 339026028 /nfs/dbraw/zinc/02/60/28/339026028.db2.gz DJLPBATVBRTVJI-UHFFFAOYSA-N 2 2 313.832 3.981 20 0 DHADLP Clc1ccc(CC[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000459412458 339027732 /nfs/dbraw/zinc/02/77/32/339027732.db2.gz VUGJDUPPYCMLBK-UHFFFAOYSA-N 2 2 303.837 3.759 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000459474488 339031431 /nfs/dbraw/zinc/03/14/31/339031431.db2.gz XXVZFFFNNUYRAQ-UHFFFAOYSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000459474488 339031432 /nfs/dbraw/zinc/03/14/32/339031432.db2.gz XXVZFFFNNUYRAQ-UHFFFAOYSA-N 2 2 321.827 3.667 20 0 DHADLP CC1(CC(F)(F)F)C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000459635532 339039581 /nfs/dbraw/zinc/03/95/81/339039581.db2.gz JFCKUODOBBYSDC-UHFFFAOYSA-N 2 2 315.364 3.708 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000459656665 339040903 /nfs/dbraw/zinc/04/09/03/339040903.db2.gz HDCSODZUDSWKMW-QGZVFWFLSA-N 2 2 315.848 3.842 20 0 DHADLP CC(C)Sc1cccc(Cl)c1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459664752 339041452 /nfs/dbraw/zinc/04/14/52/339041452.db2.gz PSZVRSPUZGTJIH-UHFFFAOYSA-N 2 2 323.893 3.906 20 0 DHADLP CCN(C)c1ccc(CNc2ccc(C[NH+](C)C)c(C)c2)c[nH+]1 ZINC000459750686 339046213 /nfs/dbraw/zinc/04/62/13/339046213.db2.gz HJQAUMWDMDUHNO-UHFFFAOYSA-N 2 2 312.461 3.520 20 0 DHADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C1CCCC1 ZINC000459770201 339047493 /nfs/dbraw/zinc/04/74/93/339047493.db2.gz MTBJESYGXUXCKJ-HXUWFJFHSA-N 2 2 315.505 3.995 20 0 DHADLP CCCC[C@@H](CCC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000461802124 339067454 /nfs/dbraw/zinc/06/74/54/339067454.db2.gz PGKHYHALOMDVEA-QGZVFWFLSA-N 2 2 303.494 3.995 20 0 DHADLP c1cc2[nH+]ccc(N[C@H](C[NH+]3CCCC3)c3ccccc3)c2s1 ZINC000462090067 339072086 /nfs/dbraw/zinc/07/20/86/339072086.db2.gz CJYLUCLWYAANSC-GOSISDBHSA-N 2 2 323.465 3.967 20 0 DHADLP Cc1cccn2c(C[NH2+]CCOc3ccc(C(C)C)cc3)c[nH+]c12 ZINC000462357468 339076583 /nfs/dbraw/zinc/07/65/83/339076583.db2.gz HZDJREPVYVIYFW-UHFFFAOYSA-N 2 2 323.440 3.935 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)[NH+](C)C)cc1 ZINC000462884770 339096176 /nfs/dbraw/zinc/09/61/76/339096176.db2.gz ACGFJXFGLWKCCV-UXHICEINSA-N 2 2 324.468 3.971 20 0 DHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000462898628 339096723 /nfs/dbraw/zinc/09/67/23/339096723.db2.gz WFAQDMGKGBJHHN-HOTGVXAUSA-N 2 2 313.489 3.908 20 0 DHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000462898628 339096724 /nfs/dbraw/zinc/09/67/24/339096724.db2.gz WFAQDMGKGBJHHN-HOTGVXAUSA-N 2 2 313.489 3.908 20 0 DHADLP CC(C)O[C@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1(C)C ZINC000463023822 339100912 /nfs/dbraw/zinc/10/09/12/339100912.db2.gz MSTSTIUWTFSCLO-SJORKVTESA-N 2 2 315.461 3.677 20 0 DHADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466371654 339201176 /nfs/dbraw/zinc/20/11/76/339201176.db2.gz JYEJJGPWBJRDNW-NRXISQOPSA-N 2 2 306.416 3.819 20 0 DHADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466371654 339201177 /nfs/dbraw/zinc/20/11/77/339201177.db2.gz JYEJJGPWBJRDNW-NRXISQOPSA-N 2 2 306.416 3.819 20 0 DHADLP c1cn(-c2csc(C[NH2+]C3CC(c4ccccc4)C3)c2)c[nH+]1 ZINC000466426238 339204452 /nfs/dbraw/zinc/20/44/52/339204452.db2.gz SGDCYTCYCBAYPT-UHFFFAOYSA-N 2 2 309.438 3.970 20 0 DHADLP CCCCOc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1Cl ZINC000466915239 339221364 /nfs/dbraw/zinc/22/13/64/339221364.db2.gz HWRDKYGYWXVTMV-BBRMVZONSA-N 2 2 310.869 3.559 20 0 DHADLP CCCCOc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000466915239 339221365 /nfs/dbraw/zinc/22/13/65/339221365.db2.gz HWRDKYGYWXVTMV-BBRMVZONSA-N 2 2 310.869 3.559 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000467349068 339233107 /nfs/dbraw/zinc/23/31/07/339233107.db2.gz HWDWFUDPXOBDLJ-DVOMOZLQSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000467349068 339233108 /nfs/dbraw/zinc/23/31/08/339233108.db2.gz HWDWFUDPXOBDLJ-DVOMOZLQSA-N 2 2 314.395 3.709 20 0 DHADLP CC[N@H+](CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000467357144 339233789 /nfs/dbraw/zinc/23/37/89/339233789.db2.gz ZVESIGJMNJDZGR-ZDUSSCGKSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@@H+](CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000467357144 339233790 /nfs/dbraw/zinc/23/37/90/339233790.db2.gz ZVESIGJMNJDZGR-ZDUSSCGKSA-N 2 2 314.395 3.710 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC000467356529 339233817 /nfs/dbraw/zinc/23/38/17/339233817.db2.gz WUERKKUWQXSQAG-UHOSZYNNSA-N 2 2 315.505 3.738 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000467356529 339233818 /nfs/dbraw/zinc/23/38/18/339233818.db2.gz WUERKKUWQXSQAG-UHOSZYNNSA-N 2 2 315.505 3.738 20 0 DHADLP C[C@@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468521043 339265258 /nfs/dbraw/zinc/26/52/58/339265258.db2.gz DATPIGKMOPUTNR-YCPHGPKFSA-N 2 2 314.395 3.828 20 0 DHADLP C[C@@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468521043 339265259 /nfs/dbraw/zinc/26/52/59/339265259.db2.gz DATPIGKMOPUTNR-YCPHGPKFSA-N 2 2 314.395 3.828 20 0 DHADLP Fc1cccc(F)c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000469880446 339303674 /nfs/dbraw/zinc/30/36/74/339303674.db2.gz QRINCZARYXQENT-CQSZACIVSA-N 2 2 308.416 3.709 20 0 DHADLP Fc1cccc(F)c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000469880446 339303675 /nfs/dbraw/zinc/30/36/75/339303675.db2.gz QRINCZARYXQENT-CQSZACIVSA-N 2 2 308.416 3.709 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000471612155 339349532 /nfs/dbraw/zinc/34/95/32/339349532.db2.gz RSRXYBKEUNUZIG-ORYQWCPZSA-N 2 2 308.469 3.825 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)CC1CCOCC1 ZINC000472039940 339360087 /nfs/dbraw/zinc/36/00/87/339360087.db2.gz ZYZNKXMXMVTSSX-ABSDTBQOSA-N 2 2 318.505 3.720 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](C)CC1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000472039942 339360121 /nfs/dbraw/zinc/36/01/21/339360121.db2.gz ZYZNKXMXMVTSSX-SQGPQFPESA-N 2 2 318.505 3.720 20 0 DHADLP Cc1ccc(SC[C@@H](C)[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000472131124 339363819 /nfs/dbraw/zinc/36/38/19/339363819.db2.gz VRZUNTYPIRXKLT-OAHLLOKOSA-N 2 2 311.454 3.913 20 0 DHADLP C([NH2+][C@H]1CCC12CCCC2)C1([NH+]2CCSCC2)CCCC1 ZINC000474077537 339401007 /nfs/dbraw/zinc/40/10/07/339401007.db2.gz DAMFOTICWRZDGI-INIZCTEOSA-N 2 2 308.535 3.660 20 0 DHADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000474473625 339416274 /nfs/dbraw/zinc/41/62/74/339416274.db2.gz KFDSHHYDOUBVRF-IRXDYDNUSA-N 2 2 304.478 3.653 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](C)COc2c(C)cccc2C)c[nH+]1 ZINC000474607903 339419723 /nfs/dbraw/zinc/41/97/23/339419723.db2.gz PYMMVOBXYUBRID-SFHVURJKSA-N 2 2 312.457 3.997 20 0 DHADLP CC(C)C[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475350034 339448594 /nfs/dbraw/zinc/44/85/94/339448594.db2.gz PVMPJXHMJNWDND-LRVUVFPRSA-N 2 2 306.416 3.816 20 0 DHADLP CCCC[C@H](COC)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000479850341 339550470 /nfs/dbraw/zinc/55/04/70/339550470.db2.gz HIBPBDMJYJMZDA-MOPGFXCFSA-N 2 2 304.478 3.618 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H](c1cccc(OC)c1)[NH+](CC)CC)C1CC1 ZINC000480393948 339572069 /nfs/dbraw/zinc/57/20/69/339572069.db2.gz GQCHQPGNXIDJPN-MOPGFXCFSA-N 2 2 304.478 3.856 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000480775550 339586809 /nfs/dbraw/zinc/58/68/09/339586809.db2.gz YOLFAWARKCDXJV-GOSISDBHSA-N 2 2 309.457 3.774 20 0 DHADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000481950076 339617730 /nfs/dbraw/zinc/61/77/30/339617730.db2.gz CRHIQIJNXCBIRY-UXHICEINSA-N 2 2 324.468 3.883 20 0 DHADLP C[C@@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)Cc1ccccc1 ZINC000482199610 339625905 /nfs/dbraw/zinc/62/59/05/339625905.db2.gz PUYLYPLBQTUTAF-MRXNPFEDSA-N 2 2 307.441 3.964 20 0 DHADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000482486257 339632981 /nfs/dbraw/zinc/63/29/81/339632981.db2.gz DGANIUWENFGBIX-OCCSQVGLSA-N 2 2 300.899 3.750 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000499707153 340042980 /nfs/dbraw/zinc/04/29/80/340042980.db2.gz QTELVYSMTQUYNE-SYQHCUMBSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000499707153 340042981 /nfs/dbraw/zinc/04/29/81/340042981.db2.gz QTELVYSMTQUYNE-SYQHCUMBSA-N 2 2 304.400 3.570 20 0 DHADLP CC(C)OC[C@H](C)[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000500445667 340058988 /nfs/dbraw/zinc/05/89/88/340058988.db2.gz JFKHHUNHTXSSMC-HKUYNNGSSA-N 2 2 306.494 3.546 20 0 DHADLP CC(C)OC[C@H](C)[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000500445667 340058989 /nfs/dbraw/zinc/05/89/89/340058989.db2.gz JFKHHUNHTXSSMC-HKUYNNGSSA-N 2 2 306.494 3.546 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000501413554 340080306 /nfs/dbraw/zinc/08/03/06/340080306.db2.gz PPAVLVIQDHRDFG-WVUXNXBLSA-N 2 2 324.390 3.935 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000501413554 340080307 /nfs/dbraw/zinc/08/03/07/340080307.db2.gz PPAVLVIQDHRDFG-WVUXNXBLSA-N 2 2 324.390 3.935 20 0 DHADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000502279265 340098241 /nfs/dbraw/zinc/09/82/41/340098241.db2.gz GLLHPCQQBZYZOR-IKGGRYGDSA-N 2 2 308.535 3.516 20 0 DHADLP Cc1ccccc1[C@@]1(F)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000502878727 340115429 /nfs/dbraw/zinc/11/54/29/340115429.db2.gz UTZSONVVFXNTNM-PKOBYXMFSA-N 2 2 304.453 3.740 20 0 DHADLP Cc1ccccc1[C@@]1(F)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000502878727 340115430 /nfs/dbraw/zinc/11/54/30/340115430.db2.gz UTZSONVVFXNTNM-PKOBYXMFSA-N 2 2 304.453 3.740 20 0 DHADLP Cc1ccccc1[C@@]1(F)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000502878727 340115431 /nfs/dbraw/zinc/11/54/31/340115431.db2.gz UTZSONVVFXNTNM-PKOBYXMFSA-N 2 2 304.453 3.740 20 0 DHADLP Cc1ccccc1[C@@]1(F)CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000502878727 340115432 /nfs/dbraw/zinc/11/54/32/340115432.db2.gz UTZSONVVFXNTNM-PKOBYXMFSA-N 2 2 304.453 3.740 20 0 DHADLP CC(C)CC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000507482826 340222099 /nfs/dbraw/zinc/22/20/99/340222099.db2.gz FVCWHEDZKRLLJB-UHFFFAOYSA-N 2 2 306.416 3.819 20 0 DHADLP CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507491724 340222674 /nfs/dbraw/zinc/22/26/74/340222674.db2.gz CSJRGOZWRDJYLF-UKRRQHHQSA-N 2 2 306.416 3.962 20 0 DHADLP CC1(C)CCCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507520250 340224150 /nfs/dbraw/zinc/22/41/50/340224150.db2.gz OLCBEGUMVRNMNF-CQSZACIVSA-N 2 2 306.416 3.962 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000507617068 340226421 /nfs/dbraw/zinc/22/64/21/340226421.db2.gz FJFSIDDTCDCNLD-UHFFFAOYSA-N 2 2 314.429 3.988 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000507617068 340226422 /nfs/dbraw/zinc/22/64/22/340226422.db2.gz FJFSIDDTCDCNLD-UHFFFAOYSA-N 2 2 314.429 3.988 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000509824829 340280629 /nfs/dbraw/zinc/28/06/29/340280629.db2.gz AHIRUNOLQMVBTI-MJLBXUHQSA-N 2 2 318.505 3.802 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CCCNc1cccc[nH+]1 ZINC000510689436 340306755 /nfs/dbraw/zinc/30/67/55/340306755.db2.gz WASXPCHZCDBSRT-CQSZACIVSA-N 2 2 319.399 3.773 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000512170702 340350776 /nfs/dbraw/zinc/35/07/76/340350776.db2.gz UCZZLGPGBWNGOV-KRWDZBQOSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000512170702 340350777 /nfs/dbraw/zinc/35/07/77/340350777.db2.gz UCZZLGPGBWNGOV-KRWDZBQOSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC000512178302 340351112 /nfs/dbraw/zinc/35/11/12/340351112.db2.gz IVNPNRAUJNSBCT-INIZCTEOSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC000512178302 340351113 /nfs/dbraw/zinc/35/11/13/340351113.db2.gz IVNPNRAUJNSBCT-INIZCTEOSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)CC1 ZINC000512180080 340351146 /nfs/dbraw/zinc/35/11/46/340351146.db2.gz NRLNHLQJNZFVPA-MRXNPFEDSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)CC1 ZINC000512180080 340351147 /nfs/dbraw/zinc/35/11/47/340351147.db2.gz NRLNHLQJNZFVPA-MRXNPFEDSA-N 2 2 322.443 3.909 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000512622357 340369608 /nfs/dbraw/zinc/36/96/08/340369608.db2.gz LUMIWDYNCQBHAP-GUXCAODWSA-N 2 2 312.457 3.604 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C2CCC2)CCOCC1)c1ccccc1 ZINC000178534452 340450497 /nfs/dbraw/zinc/45/04/97/340450497.db2.gz UBLMBCGSAYPRQN-DLBZAZTESA-N 2 2 316.489 3.665 20 0 DHADLP COc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000185682358 340504184 /nfs/dbraw/zinc/50/41/84/340504184.db2.gz GCCQUWUHDPWHSO-IFXJQAMLSA-N 2 2 316.420 3.615 20 0 DHADLP Clc1ccsc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000193000325 340571399 /nfs/dbraw/zinc/57/13/99/340571399.db2.gz GBTIBBUFAZHJMH-UHFFFAOYSA-N 2 2 317.845 3.936 20 0 DHADLP COc1cccc([C@@H](C[NH2+]C[C@@H]2CC=CCC2)[NH+]2CCCC2)c1 ZINC000237285954 340669743 /nfs/dbraw/zinc/66/97/43/340669743.db2.gz RPDVBJJYAZUPOL-YLJYHZDGSA-N 2 2 314.473 3.778 20 0 DHADLP Cc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc1C ZINC000237767679 340673876 /nfs/dbraw/zinc/67/38/76/340673876.db2.gz UNWBHXPBGOUKLS-UHFFFAOYSA-N 2 2 307.441 3.913 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000322249439 340703800 /nfs/dbraw/zinc/70/38/00/340703800.db2.gz MSQQRTFZBQLQBP-GOSISDBHSA-N 2 2 305.425 3.930 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000529548268 340762299 /nfs/dbraw/zinc/76/22/99/340762299.db2.gz JZFDVAGQBXYRBP-OAHLLOKOSA-N 2 2 313.420 3.536 20 0 DHADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CC[NH2+]C34CCC4)oc21 ZINC000530216438 340782721 /nfs/dbraw/zinc/78/27/21/340782721.db2.gz BJDPTPFRQATDOF-DYVFJYSZSA-N 2 2 314.429 3.767 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000539087447 340872223 /nfs/dbraw/zinc/87/22/23/340872223.db2.gz STKFKXDMPOQSRG-IBGZPJMESA-N 2 2 320.452 3.510 20 0 DHADLP Fc1ccc([C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CC2)cc1 ZINC000540260768 340925008 /nfs/dbraw/zinc/92/50/08/340925008.db2.gz MLNBAMOLIMGLME-IBGZPJMESA-N 2 2 309.388 3.757 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000543246210 341037887 /nfs/dbraw/zinc/03/78/87/341037887.db2.gz XVTNVZSJVBQXTH-LRDDRELGSA-N 2 2 313.426 3.940 20 0 DHADLP Cc1ccc(C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CC2)cc1 ZINC000130709540 341039859 /nfs/dbraw/zinc/03/98/59/341039859.db2.gz QOLKNKVWDOLKMK-FQEVSTJZSA-N 2 2 319.452 3.796 20 0 DHADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000544461542 341083277 /nfs/dbraw/zinc/08/32/77/341083277.db2.gz MEMRBTKARYCXFQ-WBVHZDCISA-N 2 2 313.445 3.867 20 0 DHADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000544461542 341083278 /nfs/dbraw/zinc/08/32/78/341083278.db2.gz MEMRBTKARYCXFQ-WBVHZDCISA-N 2 2 313.445 3.867 20 0 DHADLP CC[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000544830982 341095358 /nfs/dbraw/zinc/09/53/58/341095358.db2.gz OWAGNRLYNMPQEU-JTQLQIEISA-N 2 2 320.321 3.724 20 0 DHADLP CC(C)CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000132370882 341121679 /nfs/dbraw/zinc/12/16/79/341121679.db2.gz DXOLUJMHJHEOGL-KRWDZBQOSA-N 2 2 303.494 3.850 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)CC1CCOCC1)c1ccccc1 ZINC000134054042 341205484 /nfs/dbraw/zinc/20/54/84/341205484.db2.gz CSYRIBHPUPYCGA-YLJYHZDGSA-N 2 2 318.505 3.864 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccccc2)CC[N@@H+]1C ZINC000134141746 341207749 /nfs/dbraw/zinc/20/77/49/341207749.db2.gz UFEIYVFZKJXLGM-YUELXQCFSA-N 2 2 300.368 3.752 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccccc2)CC[N@H+]1C ZINC000134141746 341207750 /nfs/dbraw/zinc/20/77/50/341207750.db2.gz UFEIYVFZKJXLGM-YUELXQCFSA-N 2 2 300.368 3.752 20 0 DHADLP COc1cccc(Cl)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000134781505 341223992 /nfs/dbraw/zinc/22/39/92/341223992.db2.gz DIPOMOCHKZIWQS-AWEZNQCLSA-N 2 2 310.869 3.560 20 0 DHADLP Fc1cc(Cl)ccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000548396492 341258745 /nfs/dbraw/zinc/25/87/45/341258745.db2.gz CCUJLVWXCPSNQB-UHFFFAOYSA-N 2 2 319.811 3.951 20 0 DHADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCCn1cc[nH+]c1 ZINC000549041263 341284605 /nfs/dbraw/zinc/28/46/05/341284605.db2.gz NGEFFDMFFFCHIU-AWEZNQCLSA-N 2 2 307.388 3.552 20 0 DHADLP Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c2cccc(F)c2[nH+]1 ZINC000549141276 341287022 /nfs/dbraw/zinc/28/70/22/341287022.db2.gz BCTLCPKAIOXCDC-HNNXBMFYSA-N 2 2 313.420 3.604 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000550921710 341326789 /nfs/dbraw/zinc/32/67/89/341326789.db2.gz YNKSUEYBAZTNOE-LPHOPBHVSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000550921710 341326790 /nfs/dbraw/zinc/32/67/90/341326790.db2.gz YNKSUEYBAZTNOE-LPHOPBHVSA-N 2 2 315.505 3.708 20 0 DHADLP Cc1ccccc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000551092739 341331461 /nfs/dbraw/zinc/33/14/61/341331461.db2.gz CBWMCAYECXEZMH-RTWAWAEBSA-N 2 2 308.469 3.963 20 0 DHADLP Cc1ccccc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000551092739 341331462 /nfs/dbraw/zinc/33/14/62/341331462.db2.gz CBWMCAYECXEZMH-RTWAWAEBSA-N 2 2 308.469 3.963 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000551228771 341334535 /nfs/dbraw/zinc/33/45/35/341334535.db2.gz JYXYKRWCCRVMMD-WMZOPIPTSA-N 2 2 317.521 3.954 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000551228771 341334536 /nfs/dbraw/zinc/33/45/36/341334536.db2.gz JYXYKRWCCRVMMD-WMZOPIPTSA-N 2 2 317.521 3.954 20 0 DHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000551534939 341344547 /nfs/dbraw/zinc/34/45/47/341344547.db2.gz SFSQEEIDJYMMNB-HIFRSBDPSA-N 2 2 310.869 3.872 20 0 DHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000551534939 341344548 /nfs/dbraw/zinc/34/45/48/341344548.db2.gz SFSQEEIDJYMMNB-HIFRSBDPSA-N 2 2 310.869 3.872 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000551539592 341344792 /nfs/dbraw/zinc/34/47/92/341344792.db2.gz AVKNAEFOYFRLKX-JKSUJKDBSA-N 2 2 301.434 3.801 20 0 DHADLP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246487251 341350540 /nfs/dbraw/zinc/35/05/40/341350540.db2.gz AJNJZVMHUVZKCF-MSOLQXFVSA-N 2 2 324.468 3.555 20 0 DHADLP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246487251 341350541 /nfs/dbraw/zinc/35/05/41/341350541.db2.gz AJNJZVMHUVZKCF-MSOLQXFVSA-N 2 2 324.468 3.555 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000551787513 341351414 /nfs/dbraw/zinc/35/14/14/341351414.db2.gz HWEUYUHQXGJTNY-WBVHZDCISA-N 2 2 302.462 3.753 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000551787513 341351415 /nfs/dbraw/zinc/35/14/15/341351415.db2.gz HWEUYUHQXGJTNY-WBVHZDCISA-N 2 2 302.462 3.753 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000551791061 341351829 /nfs/dbraw/zinc/35/18/29/341351829.db2.gz MHGBRWLITUXZBF-IBGZPJMESA-N 2 2 309.457 3.803 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000551792031 341351875 /nfs/dbraw/zinc/35/18/75/341351875.db2.gz YXQGPQJAWDLQEX-XAMWDVODSA-N 2 2 316.489 3.651 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000551792031 341351876 /nfs/dbraw/zinc/35/18/76/341351876.db2.gz YXQGPQJAWDLQEX-XAMWDVODSA-N 2 2 316.489 3.651 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(-c3ccoc3)n2)[C@@H](C)C1 ZINC000247261404 341362877 /nfs/dbraw/zinc/36/28/77/341362877.db2.gz VKBOCVGUTQTNHP-BBRMVZONSA-N 2 2 319.474 3.565 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(-c3ccoc3)n2)[C@@H](C)C1 ZINC000247261404 341362878 /nfs/dbraw/zinc/36/28/78/341362878.db2.gz VKBOCVGUTQTNHP-BBRMVZONSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(-c3ccoc3)n2)[C@@H](C)C1 ZINC000247261404 341362879 /nfs/dbraw/zinc/36/28/79/341362879.db2.gz VKBOCVGUTQTNHP-BBRMVZONSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(-c3ccoc3)n2)[C@@H](C)C1 ZINC000247261404 341362880 /nfs/dbraw/zinc/36/28/80/341362880.db2.gz VKBOCVGUTQTNHP-BBRMVZONSA-N 2 2 319.474 3.565 20 0 DHADLP CCc1ccc([C@@H](C[NH2+]C[C@H]2CCCOC2)[NH+](CC)CC)cc1 ZINC000552064489 341366609 /nfs/dbraw/zinc/36/66/09/341366609.db2.gz UDJFEEAHQUKHMI-UYAOXDASSA-N 2 2 318.505 3.648 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248393953 341376442 /nfs/dbraw/zinc/37/64/42/341376442.db2.gz XOFFBLSMTNSTOD-MDZRGWNJSA-N 2 2 315.436 3.926 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248393953 341376443 /nfs/dbraw/zinc/37/64/43/341376443.db2.gz XOFFBLSMTNSTOD-MDZRGWNJSA-N 2 2 315.436 3.926 20 0 DHADLP CCCCc1[nH]c2ccc(NC(=O)CCCC[NH+](C)C)cc2[nH+]1 ZINC000552225150 341379402 /nfs/dbraw/zinc/37/94/02/341379402.db2.gz GPHWRAPDZGRESU-UHFFFAOYSA-N 2 2 316.449 3.576 20 0 DHADLP CC(C)C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000249040583 341392566 /nfs/dbraw/zinc/39/25/66/341392566.db2.gz UTCUOZQQPOBIQB-FXAWDEMLSA-N 2 2 317.521 3.810 20 0 DHADLP CC(C)C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000249040583 341392567 /nfs/dbraw/zinc/39/25/67/341392567.db2.gz UTCUOZQQPOBIQB-FXAWDEMLSA-N 2 2 317.521 3.810 20 0 DHADLP c1cn2c(cccc2C[NH2+]CCc2cc3ccccc3s2)[nH+]1 ZINC000555615828 341487252 /nfs/dbraw/zinc/48/72/52/341487252.db2.gz DBEJUNRQVOAIMH-UHFFFAOYSA-N 2 2 307.422 3.881 20 0 DHADLP CC[NH+](CC)[C@H](CN[C@H](C)c1cn2ccccc2[nH+]1)CC(C)C ZINC000556237998 341498675 /nfs/dbraw/zinc/49/86/75/341498675.db2.gz HYQXENQRNLIWIT-SJORKVTESA-N 2 2 316.493 3.741 20 0 DHADLP COc1ccc([C@H](C[NH2+][C@@H]2CC=C(C)CC2)[NH+]2CCCC2)cc1 ZINC000572587804 341634971 /nfs/dbraw/zinc/63/49/71/341634971.db2.gz QGRGJHJZXGAJFL-QUCCMNQESA-N 2 2 314.473 3.921 20 0 DHADLP Cc1cccn2c(C[NH2+]C[C@]3(C)C[C@H]3c3ccccc3)c[nH+]c12 ZINC000569006661 341688006 /nfs/dbraw/zinc/68/80/06/341688006.db2.gz DSQLIHRATVNAEJ-ICSRJNTNSA-N 2 2 305.425 3.926 20 0 DHADLP CC[C@H]1CCCC[C@@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163301336 341697683 /nfs/dbraw/zinc/69/76/83/341697683.db2.gz HZJIZQJSQCTYGF-BBRMVZONSA-N 2 2 322.416 3.591 20 0 DHADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)[NH+](C)C ZINC000337329528 519353774 /nfs/dbraw/zinc/35/37/74/519353774.db2.gz FXDBDBVEXYGPIM-NZSAHSFTSA-N 2 2 303.494 3.674 20 0 DHADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000338277004 520608384 /nfs/dbraw/zinc/60/83/84/520608384.db2.gz QEAIKHHOPJOGQV-HNNXBMFYSA-N 2 2 308.491 3.517 20 0 DHADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000338277004 520608389 /nfs/dbraw/zinc/60/83/89/520608389.db2.gz QEAIKHHOPJOGQV-HNNXBMFYSA-N 2 2 308.491 3.517 20 0 DHADLP COCC[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000364152268 521985660 /nfs/dbraw/zinc/98/56/60/521985660.db2.gz XWEZMCSFLLJQHT-QGZVFWFLSA-N 2 2 313.445 3.511 20 0 DHADLP COCC[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000364152268 521985666 /nfs/dbraw/zinc/98/56/66/521985666.db2.gz XWEZMCSFLLJQHT-QGZVFWFLSA-N 2 2 313.445 3.511 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338313100 522600548 /nfs/dbraw/zinc/60/05/48/522600548.db2.gz HRCPJHYLUYHQCD-CABCVRRESA-N 2 2 311.420 3.908 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338313100 522600555 /nfs/dbraw/zinc/60/05/55/522600555.db2.gz HRCPJHYLUYHQCD-CABCVRRESA-N 2 2 311.420 3.908 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(F)cc1 ZINC000126463591 522643128 /nfs/dbraw/zinc/64/31/28/522643128.db2.gz LINABSJWJAVMGC-SFHVURJKSA-N 2 2 324.403 3.956 20 0 DHADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2csc(Cl)c2)CC1 ZINC000191256087 523296307 /nfs/dbraw/zinc/29/63/07/523296307.db2.gz VDXPOTSYBSYJNO-LBPRGKRZSA-N 2 2 316.898 3.553 20 0 DHADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130604832 523853120 /nfs/dbraw/zinc/85/31/20/523853120.db2.gz BVXRTETXCDKIFM-OAHLLOKOSA-N 2 2 309.413 3.545 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCSC2)[C@H]1c1cccc(Cl)c1 ZINC000364853927 523981102 /nfs/dbraw/zinc/98/11/02/523981102.db2.gz SXSMNEODXPCXTM-YSVLISHTSA-N 2 2 324.921 3.676 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCSC2)[C@H]1c1cccc(Cl)c1 ZINC000364853927 523981104 /nfs/dbraw/zinc/98/11/04/523981104.db2.gz SXSMNEODXPCXTM-YSVLISHTSA-N 2 2 324.921 3.676 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000130639276 525340040 /nfs/dbraw/zinc/34/00/40/525340040.db2.gz GHARVHFPAYUFPV-HZPDHXFCSA-N 2 2 323.440 3.667 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000366430565 525396825 /nfs/dbraw/zinc/39/68/25/525396825.db2.gz IUTUEIKRWLUBNX-PPDQVPDSSA-N 3 2 324.472 3.540 20 0 DHADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)c1cccc2ccccc21 ZINC000177338472 525421894 /nfs/dbraw/zinc/42/18/94/525421894.db2.gz IAMVNEBNFSKOCZ-MRXNPFEDSA-N 2 2 312.457 3.601 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccsc2S1 ZINC000336826515 525447878 /nfs/dbraw/zinc/44/78/78/525447878.db2.gz QIRXYRXSTDVVFD-UNQGMJICSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c2ccsc2S1 ZINC000336826515 525447885 /nfs/dbraw/zinc/44/78/85/525447885.db2.gz QIRXYRXSTDVVFD-UNQGMJICSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1Br ZINC000129437925 525617354 /nfs/dbraw/zinc/61/73/54/525617354.db2.gz MBLOVHQFSMSVGI-AVGNSLFASA-N 2 2 311.267 3.582 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Br ZINC000129437925 525617362 /nfs/dbraw/zinc/61/73/62/525617362.db2.gz MBLOVHQFSMSVGI-AVGNSLFASA-N 2 2 311.267 3.582 20 0 DHADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CCC1 ZINC000179840613 525706444 /nfs/dbraw/zinc/70/64/44/525706444.db2.gz HHCPQIFNTILCDF-OAHLLOKOSA-N 2 2 301.478 3.818 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H](c3cccnc3)C1)CCC2 ZINC000337341169 525938800 /nfs/dbraw/zinc/93/88/00/525938800.db2.gz QAJUWXRLRLWICW-WDSOQIARSA-N 2 2 324.472 3.780 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ccncc1F ZINC000338372293 526076641 /nfs/dbraw/zinc/07/66/41/526076641.db2.gz UJCROFRGNANOCX-CQSZACIVSA-N 2 2 310.376 3.566 20 0 DHADLP FCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2F)CC1 ZINC000367599803 526287231 /nfs/dbraw/zinc/28/72/31/526287231.db2.gz XWMQSDAOZLLZNP-BEFAXECRSA-N 2 2 322.443 3.908 20 0 DHADLP Fc1cc(F)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000339523186 526303752 /nfs/dbraw/zinc/30/37/52/526303752.db2.gz RRHQHOVXINWPLP-UHFFFAOYSA-N 2 2 317.314 3.579 20 0 DHADLP Oc1cccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1Cl ZINC000339205778 526360231 /nfs/dbraw/zinc/36/02/31/526360231.db2.gz PGMBDQKLYHFANE-UHFFFAOYSA-N 2 2 313.788 3.521 20 0 DHADLP Fc1cccc(Cl)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156340191 526391060 /nfs/dbraw/zinc/39/10/60/526391060.db2.gz PEZVFUJKXSZJBN-ZDUSSCGKSA-N 2 2 306.768 3.527 20 0 DHADLP Fc1cccc(Cl)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156340191 526391063 /nfs/dbraw/zinc/39/10/63/526391063.db2.gz PEZVFUJKXSZJBN-ZDUSSCGKSA-N 2 2 306.768 3.527 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](Cc4ccccn4)CC[C@@H]32)cc1 ZINC000159053697 526470379 /nfs/dbraw/zinc/47/03/79/526470379.db2.gz PWXMMDJRYSRONX-FPOVZHCZSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](Cc4ccccn4)CC[C@@H]32)cc1 ZINC000159053697 526470385 /nfs/dbraw/zinc/47/03/85/526470385.db2.gz PWXMMDJRYSRONX-FPOVZHCZSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](Cc4ccccn4)CC[C@@H]32)cc1 ZINC000159053697 526470388 /nfs/dbraw/zinc/47/03/88/526470388.db2.gz PWXMMDJRYSRONX-FPOVZHCZSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](Cc4ccccn4)CC[C@@H]32)cc1 ZINC000159053697 526470393 /nfs/dbraw/zinc/47/03/93/526470393.db2.gz PWXMMDJRYSRONX-FPOVZHCZSA-N 2 2 321.468 3.568 20 0 DHADLP c1cn(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)c[nH+]1 ZINC000155655714 526533127 /nfs/dbraw/zinc/53/31/27/526533127.db2.gz JKIXUSGPKDBPNT-HNNXBMFYSA-N 2 2 324.453 3.674 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000337348402 526549252 /nfs/dbraw/zinc/54/92/52/526549252.db2.gz YYVSZYOXKGDFJN-NZSAHSFTSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C2)c1 ZINC000337348402 526549258 /nfs/dbraw/zinc/54/92/58/526549258.db2.gz YYVSZYOXKGDFJN-NZSAHSFTSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@H]2CCC[C@@H]([NH2+]CC[NH+]3CCCCCC3)C2)c1 ZINC000337334593 526550494 /nfs/dbraw/zinc/55/04/94/526550494.db2.gz KSZXTDHUKSURFG-PKOBYXMFSA-N 2 2 301.478 3.573 20 0 DHADLP c1coc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)c1 ZINC000163178078 526570105 /nfs/dbraw/zinc/57/01/05/526570105.db2.gz OFLSDEVXFBKNIT-FQEVSTJZSA-N 2 2 310.441 3.833 20 0 DHADLP Cc1nc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC000336856652 526856532 /nfs/dbraw/zinc/85/65/32/526856532.db2.gz NKMSWLIQTIFMEV-WMLDXEAASA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC000336856652 526856538 /nfs/dbraw/zinc/85/65/38/526856538.db2.gz NKMSWLIQTIFMEV-WMLDXEAASA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC000336856652 526856542 /nfs/dbraw/zinc/85/65/42/526856542.db2.gz NKMSWLIQTIFMEV-WMLDXEAASA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC000336856652 526856545 /nfs/dbraw/zinc/85/65/45/526856545.db2.gz NKMSWLIQTIFMEV-WMLDXEAASA-N 2 2 321.534 3.846 20 0 DHADLP Cc1[nH+]cc(CNc2cc3c(c[nH+]2)CCC3)n1-c1ccccc1 ZINC000339555521 527281035 /nfs/dbraw/zinc/28/10/35/527281035.db2.gz PQALKKYTYQEBSS-UHFFFAOYSA-N 2 2 304.397 3.677 20 0 DHADLP FC(F)(F)c1ccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)cc1 ZINC000130978578 527681316 /nfs/dbraw/zinc/68/13/16/527681316.db2.gz VFEUSTKCRIYIRR-UHFFFAOYSA-N 2 2 309.335 3.567 20 0 DHADLP FC(F)(F)c1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)cc1 ZINC000130978578 527681320 /nfs/dbraw/zinc/68/13/20/527681320.db2.gz VFEUSTKCRIYIRR-UHFFFAOYSA-N 2 2 309.335 3.567 20 0 DHADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(-c4cccs4)c3)C[C@@H]2C1 ZINC000425985221 1013046610 /nfs/dbraw/zinc/04/66/10/1013046610.db2.gz OZGUIEVXAYPASR-GASCZTMLSA-N 2 2 316.445 3.548 20 0 DHADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(-c4cccs4)c3)C[C@@H]2C1 ZINC000425985221 1013046640 /nfs/dbraw/zinc/04/66/40/1013046640.db2.gz OZGUIEVXAYPASR-GASCZTMLSA-N 2 2 316.445 3.548 20 0 DHADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(-c4cccs4)c3)C[C@@H]2C1 ZINC000425985221 1013046650 /nfs/dbraw/zinc/04/66/50/1013046650.db2.gz OZGUIEVXAYPASR-GASCZTMLSA-N 2 2 316.445 3.548 20 0 DHADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(F)c(-c4cccs4)c3)C[C@@H]2C1 ZINC000425985221 1013046666 /nfs/dbraw/zinc/04/66/66/1013046666.db2.gz OZGUIEVXAYPASR-GASCZTMLSA-N 2 2 316.445 3.548 20 0 DHADLP Cc1cc(Cl)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC001206811908 1013106233 /nfs/dbraw/zinc/10/62/33/1013106233.db2.gz WSHZWANPKDHDSU-VXGBXAGGSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1cc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)c1 ZINC001206811908 1013106238 /nfs/dbraw/zinc/10/62/38/1013106238.db2.gz WSHZWANPKDHDSU-VXGBXAGGSA-N 2 2 301.261 3.861 20 0 DHADLP COC1CCC(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000894471101 1013379707 /nfs/dbraw/zinc/37/97/07/1013379707.db2.gz HHAVGOGDNLQFKV-UHFFFAOYSA-N 2 2 319.493 3.581 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319976998 1013501218 /nfs/dbraw/zinc/50/12/18/1013501218.db2.gz JHKVOCXMQYBGMN-BBRMVZONSA-N 2 2 316.405 3.557 20 0 DHADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)nc2ccccc12 ZINC000129106490 1013550127 /nfs/dbraw/zinc/55/01/27/1013550127.db2.gz KFNKCZFRUFNLQR-WCQYABFASA-N 2 2 303.837 3.508 20 0 DHADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)nc2ccccc12 ZINC000129106490 1013550131 /nfs/dbraw/zinc/55/01/31/1013550131.db2.gz KFNKCZFRUFNLQR-WCQYABFASA-N 2 2 303.837 3.508 20 0 DHADLP CCCc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655703587 1013654641 /nfs/dbraw/zinc/65/46/41/1013654641.db2.gz IRAQDGVYPGUOFE-OXJNMPFZSA-N 2 2 316.489 3.543 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1F ZINC000655783339 1013709608 /nfs/dbraw/zinc/70/96/08/1013709608.db2.gz CYNFDBWGOVFZNF-QFBILLFUSA-N 2 2 320.452 3.510 20 0 DHADLP CC(C)C[C@H]1CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000474473910 1013741017 /nfs/dbraw/zinc/74/10/17/1013741017.db2.gz QVHXROFSKFLZET-IAGOWNOFSA-N 2 2 303.494 3.956 20 0 DHADLP C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000340248509 1013764640 /nfs/dbraw/zinc/76/46/40/1013764640.db2.gz DNBYEZMIOULLMZ-QAPCUYQASA-N 2 2 319.408 3.527 20 0 DHADLP Cn1c[nH+]cc1CC[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000401812752 1014037193 /nfs/dbraw/zinc/03/71/93/1014037193.db2.gz VJWYFYBKINWADY-UHFFFAOYSA-N 2 2 318.635 3.713 20 0 DHADLP C[N@H+](CCC[NH2+][C@H]1CCCc2cccnc21)Cc1ccccc1 ZINC000303218693 1014038457 /nfs/dbraw/zinc/03/84/57/1014038457.db2.gz RQTXNRIHXQOSET-IBGZPJMESA-N 2 2 309.457 3.571 20 0 DHADLP C[N@@H+](CCC[NH2+][C@H]1CCCc2cccnc21)Cc1ccccc1 ZINC000303218693 1014038459 /nfs/dbraw/zinc/03/84/59/1014038459.db2.gz RQTXNRIHXQOSET-IBGZPJMESA-N 2 2 309.457 3.571 20 0 DHADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC000190475193 1014251200 /nfs/dbraw/zinc/25/12/00/1014251200.db2.gz XTZVUJZLFUGYKJ-VMLCMGRWSA-N 2 2 321.468 3.549 20 0 DHADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC000190475193 1014251210 /nfs/dbraw/zinc/25/12/10/1014251210.db2.gz XTZVUJZLFUGYKJ-VMLCMGRWSA-N 2 2 321.468 3.549 20 0 DHADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000190475193 1014251220 /nfs/dbraw/zinc/25/12/20/1014251220.db2.gz XTZVUJZLFUGYKJ-VMLCMGRWSA-N 2 2 321.468 3.549 20 0 DHADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000190475193 1014251229 /nfs/dbraw/zinc/25/12/29/1014251229.db2.gz XTZVUJZLFUGYKJ-VMLCMGRWSA-N 2 2 321.468 3.549 20 0 DHADLP Clc1c2ccccc2sc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261710589 1014396635 /nfs/dbraw/zinc/39/66/35/1014396635.db2.gz JMGAJZRDRLAUOU-MRXNPFEDSA-N 2 2 306.862 3.740 20 0 DHADLP Clc1c2ccccc2sc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261710589 1014396643 /nfs/dbraw/zinc/39/66/43/1014396643.db2.gz JMGAJZRDRLAUOU-MRXNPFEDSA-N 2 2 306.862 3.740 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)C2CCC(F)(F)CC2)CC1 ZINC000895111499 1014440380 /nfs/dbraw/zinc/44/03/80/1014440380.db2.gz GTZVEECOIPELPC-HDJSIYSDSA-N 2 2 309.404 3.736 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427847947 1014535548 /nfs/dbraw/zinc/53/55/48/1014535548.db2.gz WHZQIURJVRBSHI-IINYFYTJSA-N 2 2 322.239 3.782 20 0 DHADLP CC(C)[C@H](CSc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427845406 1014536020 /nfs/dbraw/zinc/53/60/20/1014536020.db2.gz PNLDBBNGDTUEOU-WBVHZDCISA-N 2 2 315.486 3.604 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Oc2ccccc2)cn1 ZINC000665246674 1014541360 /nfs/dbraw/zinc/54/13/60/1014541360.db2.gz LAZFRRQEDJAVFL-OAHLLOKOSA-N 2 2 311.429 3.796 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000427857584 1014541461 /nfs/dbraw/zinc/54/14/61/1014541461.db2.gz ZILXNYCTIDGLGL-RDJZCZTQSA-N 2 2 315.848 3.909 20 0 DHADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427881323 1014542914 /nfs/dbraw/zinc/54/29/14/1014542914.db2.gz ICTKRSCWIHILRC-NWDGAFQWSA-N 2 2 324.255 3.726 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Br)cc1F ZINC000665247721 1014545375 /nfs/dbraw/zinc/54/53/75/1014545375.db2.gz ITBFDWJFBOJDGB-SNVBAGLBSA-N 2 2 315.230 3.510 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427871074 1014545621 /nfs/dbraw/zinc/54/56/21/1014545621.db2.gz HMLIOHFQJUDRTN-RISCZKNCSA-N 2 2 309.335 3.568 20 0 DHADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1F ZINC000427888491 1014547730 /nfs/dbraw/zinc/54/77/30/1014547730.db2.gz UAAANVQVSQHANN-SUMWQHHRSA-N 2 2 321.827 3.977 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccs1 ZINC000665250491 1014559447 /nfs/dbraw/zinc/55/94/47/1014559447.db2.gz SOPHTGHNMUDCNO-BRWVUGGUSA-N 2 2 300.471 3.935 20 0 DHADLP Clc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000349366577 1014565122 /nfs/dbraw/zinc/56/51/22/1014565122.db2.gz JQGJMKSXKDRBOU-UHFFFAOYSA-N 2 2 307.825 3.822 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)[nH+]c2c1 ZINC000428156751 1014583973 /nfs/dbraw/zinc/58/39/73/1014583973.db2.gz NUOMOMOFIYDOJP-APWZRJJASA-N 2 2 309.457 3.772 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)[nH+]c2c1 ZINC000428156751 1014583979 /nfs/dbraw/zinc/58/39/79/1014583979.db2.gz NUOMOMOFIYDOJP-APWZRJJASA-N 2 2 309.457 3.772 20 0 DHADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OCc2ccccc2)cc1 ZINC000665277202 1014645955 /nfs/dbraw/zinc/64/59/55/1014645955.db2.gz WOCDOLQQWVLYQJ-AFJQURTJSA-N 2 2 322.452 3.668 20 0 DHADLP CCOc1c(Cl)cccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000581286138 1014680101 /nfs/dbraw/zinc/68/01/01/1014680101.db2.gz HJZBLDRULPKFMF-UHFFFAOYSA-N 2 2 307.825 3.505 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514471 1014719220 /nfs/dbraw/zinc/71/92/20/1014719220.db2.gz ZWMDGZMTAHYXFW-YJBOKZPZSA-N 2 2 314.429 3.844 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514471 1014719225 /nfs/dbraw/zinc/71/92/25/1014719225.db2.gz ZWMDGZMTAHYXFW-YJBOKZPZSA-N 2 2 314.429 3.844 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514471 1014719234 /nfs/dbraw/zinc/71/92/34/1014719234.db2.gz ZWMDGZMTAHYXFW-YJBOKZPZSA-N 2 2 314.429 3.844 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514471 1014719241 /nfs/dbraw/zinc/71/92/41/1014719241.db2.gz ZWMDGZMTAHYXFW-YJBOKZPZSA-N 2 2 314.429 3.844 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000442785363 1014731298 /nfs/dbraw/zinc/73/12/98/1014731298.db2.gz UAAQHJFNNKPOQG-ZFWWWQNUSA-N 2 2 315.486 3.542 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000442785363 1014731308 /nfs/dbraw/zinc/73/13/08/1014731308.db2.gz UAAQHJFNNKPOQG-ZFWWWQNUSA-N 2 2 315.486 3.542 20 0 DHADLP C[NH2+]C[C@@H](C)[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000665298174 1014748521 /nfs/dbraw/zinc/74/85/21/1014748521.db2.gz TUJRVEOPXBHREY-IUODEOHRSA-N 2 2 308.878 3.883 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000123927223 1014783855 /nfs/dbraw/zinc/78/38/55/1014783855.db2.gz CKDBSJKFLGQCRT-PXNSSMCTSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000123927223 1014783862 /nfs/dbraw/zinc/78/38/62/1014783862.db2.gz CKDBSJKFLGQCRT-PXNSSMCTSA-N 2 2 315.505 3.852 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(-c2ccsc2)s1 ZINC000349416766 1014842101 /nfs/dbraw/zinc/84/21/01/1014842101.db2.gz LSUIMRCQNABMSH-UHFFFAOYSA-N 2 2 318.471 3.590 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(-c2ccsc2)s1 ZINC000349416766 1014842114 /nfs/dbraw/zinc/84/21/14/1014842114.db2.gz LSUIMRCQNABMSH-UHFFFAOYSA-N 2 2 318.471 3.590 20 0 DHADLP C[NH+](C)C1(C)CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000931350802 1032104866 /nfs/dbraw/zinc/10/48/66/1032104866.db2.gz YTFCXZIIQNSSCU-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP Cc1cc(OCC[N@H+](C)CCCn2cc[nH+]c2)ccc1C(C)C ZINC000341140272 1014923184 /nfs/dbraw/zinc/92/31/84/1014923184.db2.gz UFCCLBRDFCXQBU-UHFFFAOYSA-N 2 2 315.461 3.716 20 0 DHADLP Cc1cc(OCC[N@@H+](C)CCCn2cc[nH+]c2)ccc1C(C)C ZINC000341140272 1014923196 /nfs/dbraw/zinc/92/31/96/1014923196.db2.gz UFCCLBRDFCXQBU-UHFFFAOYSA-N 2 2 315.461 3.716 20 0 DHADLP Cc1ccc(OCC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000349642977 1014986490 /nfs/dbraw/zinc/98/64/90/1014986490.db2.gz RVCRLBYPOZZQNF-UHFFFAOYSA-N 2 2 321.424 3.692 20 0 DHADLP Cc1ccc(OCC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000349642977 1014986498 /nfs/dbraw/zinc/98/64/98/1014986498.db2.gz RVCRLBYPOZZQNF-UHFFFAOYSA-N 2 2 321.424 3.692 20 0 DHADLP C[C@@H]1CC([NH2+][C@H]2CCCCC2=O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023839 1015056028 /nfs/dbraw/zinc/05/60/28/1015056028.db2.gz YIMCJPBPCHMVML-MDZRGWNJSA-N 2 2 314.473 3.529 20 0 DHADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000522379998 1015100105 /nfs/dbraw/zinc/10/01/05/1015100105.db2.gz UYJBQGIRLXIZQZ-UHFFFAOYSA-N 2 2 322.399 3.902 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000317647935 1015209058 /nfs/dbraw/zinc/20/90/58/1015209058.db2.gz XXQZDSVRVSBIIU-IAGOWNOFSA-N 2 2 301.409 3.714 20 0 DHADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000581726479 1015277647 /nfs/dbraw/zinc/27/76/47/1015277647.db2.gz OUTMAQKUDPVNGT-PBHICJAKSA-N 2 2 313.470 3.587 20 0 DHADLP Cc1cccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000684410461 1015287392 /nfs/dbraw/zinc/28/73/92/1015287392.db2.gz RDUVGXCDQFUBQY-HXUWFJFHSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000684410461 1015287400 /nfs/dbraw/zinc/28/74/00/1015287400.db2.gz RDUVGXCDQFUBQY-HXUWFJFHSA-N 2 2 323.484 3.575 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000474488419 1015391444 /nfs/dbraw/zinc/39/14/44/1015391444.db2.gz MSRXOXWJJXRXAV-JFIYKMOQSA-N 2 2 306.494 3.753 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474480512 1015391683 /nfs/dbraw/zinc/39/16/83/1015391683.db2.gz ULKJNQAGTQTGRV-MROQNXINSA-N 2 2 309.866 3.768 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891562415 1015395496 /nfs/dbraw/zinc/39/54/96/1015395496.db2.gz QYAQXAXBRZCCGJ-UHFFFAOYSA-N 2 2 300.368 3.679 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891562415 1015395508 /nfs/dbraw/zinc/39/55/08/1015395508.db2.gz QYAQXAXBRZCCGJ-UHFFFAOYSA-N 2 2 300.368 3.679 20 0 DHADLP Cc1c(Cl)c(C[N@@H+](C)CC(C)(C)C[NH3+])nc2ccccc12 ZINC000093873841 1015411222 /nfs/dbraw/zinc/41/12/22/1015411222.db2.gz ZZCORDKEIXRYRZ-UHFFFAOYSA-N 2 2 305.853 3.613 20 0 DHADLP Cc1c(Cl)c(C[N@H+](C)CC(C)(C)C[NH3+])nc2ccccc12 ZINC000093873841 1015411230 /nfs/dbraw/zinc/41/12/30/1015411230.db2.gz ZZCORDKEIXRYRZ-UHFFFAOYSA-N 2 2 305.853 3.613 20 0 DHADLP c1ccc(NC2CC[NH+](Cc3ccnc4ccccc34)CC2)[nH+]c1 ZINC000896198484 1015497686 /nfs/dbraw/zinc/49/76/86/1015497686.db2.gz ORLUZHDNWSBEQY-UHFFFAOYSA-N 2 2 318.424 3.706 20 0 DHADLP c1ccc(NC2CC[NH+](Cc3cccc4cnccc43)CC2)[nH+]c1 ZINC000896195730 1015498218 /nfs/dbraw/zinc/49/82/18/1015498218.db2.gz PBTHJWYKCKHONJ-UHFFFAOYSA-N 2 2 318.424 3.706 20 0 DHADLP CC1([NH+]2CCC2)CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000896255381 1015523749 /nfs/dbraw/zinc/52/37/49/1015523749.db2.gz JPNXUPUKZNCDTP-UHFFFAOYSA-N 2 2 310.445 3.636 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474712643 1015561319 /nfs/dbraw/zinc/56/13/19/1015561319.db2.gz NWGKTFZEEKVBAZ-LZLYRXPVSA-N 2 2 304.478 3.651 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000474712643 1015561328 /nfs/dbraw/zinc/56/13/28/1015561328.db2.gz NWGKTFZEEKVBAZ-LZLYRXPVSA-N 2 2 304.478 3.651 20 0 DHADLP CCc1cccc(F)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000474740621 1015573086 /nfs/dbraw/zinc/57/30/86/1015573086.db2.gz ZAWXYBWZLVWXGH-UHFFFAOYSA-N 2 2 301.409 3.765 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1 ZINC000530222996 1015668584 /nfs/dbraw/zinc/66/85/84/1015668584.db2.gz SKRYOPXSRKLERG-GJZGRUSLSA-N 2 2 323.278 3.774 20 0 DHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000262348492 1015799946 /nfs/dbraw/zinc/79/99/46/1015799946.db2.gz UZKNQMOWOMCCHE-NJAFHUGGSA-N 2 2 304.478 3.521 20 0 DHADLP CCCOc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000535782292 1015824294 /nfs/dbraw/zinc/82/42/94/1015824294.db2.gz HSBOFKBVOBPTFL-UHFFFAOYSA-N 2 2 316.489 3.926 20 0 DHADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151326651 1016034701 /nfs/dbraw/zinc/03/47/01/1016034701.db2.gz NHWQSTFQBGKBHA-IERDGZPVSA-N 2 2 317.436 3.955 20 0 DHADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CS1 ZINC000277240845 1016094132 /nfs/dbraw/zinc/09/41/32/1016094132.db2.gz NCQWZLCDHMRURI-ZWKOTPCHSA-N 2 2 315.486 3.551 20 0 DHADLP CC[C@H](C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000151678466 1016126403 /nfs/dbraw/zinc/12/64/03/1016126403.db2.gz APRNPEUDSKUNTE-IAGOWNOFSA-N 2 2 320.477 3.619 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(F)F)c(F)c2)CC[N@@H+]1C ZINC000892105602 1016234294 /nfs/dbraw/zinc/23/42/94/1016234294.db2.gz ONTHXUQBPJRBTL-WCQYABFASA-N 2 2 300.368 3.678 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(F)F)c(F)c2)CC[N@H+]1C ZINC000892105602 1016234298 /nfs/dbraw/zinc/23/42/98/1016234298.db2.gz ONTHXUQBPJRBTL-WCQYABFASA-N 2 2 300.368 3.678 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(F)F)c(F)c2)CC[NH+]1C ZINC000892105602 1016234301 /nfs/dbraw/zinc/23/43/01/1016234301.db2.gz ONTHXUQBPJRBTL-WCQYABFASA-N 2 2 300.368 3.678 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(F)F)c(F)c2)CC[NH+]1C ZINC000892105602 1016234309 /nfs/dbraw/zinc/23/43/09/1016234309.db2.gz ONTHXUQBPJRBTL-WCQYABFASA-N 2 2 300.368 3.678 20 0 DHADLP Cc1ccc2cc(C[NH2+]CCCCNc3cccc[nH+]3)[nH]c2c1 ZINC000657345738 1016390602 /nfs/dbraw/zinc/39/06/02/1016390602.db2.gz XLEVHFKWKZUKPI-UHFFFAOYSA-N 2 2 308.429 3.853 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152234352 1016426399 /nfs/dbraw/zinc/42/63/99/1016426399.db2.gz WDWMBQVQJVKQKP-OAHLLOKOSA-N 2 2 307.397 3.732 20 0 DHADLP Fc1cccc(Cl)c1C[N@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000342474781 1016554243 /nfs/dbraw/zinc/55/42/43/1016554243.db2.gz WWRLGVNHJHNDGW-UHFFFAOYSA-N 2 2 321.827 3.978 20 0 DHADLP Fc1cccc(Cl)c1C[N@@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000342474781 1016554255 /nfs/dbraw/zinc/55/42/55/1016554255.db2.gz WWRLGVNHJHNDGW-UHFFFAOYSA-N 2 2 321.827 3.978 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000444013357 1016578107 /nfs/dbraw/zinc/57/81/07/1016578107.db2.gz FELXEFCKKCTUMZ-KGLIPLIRSA-N 2 2 306.416 3.819 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000444013357 1016578117 /nfs/dbraw/zinc/57/81/17/1016578117.db2.gz FELXEFCKKCTUMZ-KGLIPLIRSA-N 2 2 306.416 3.819 20 0 DHADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C[C@@H]12 ZINC000346839676 1016598719 /nfs/dbraw/zinc/59/87/19/1016598719.db2.gz ZGFPECJPIZZLHZ-MISXGVKJSA-N 2 2 318.770 3.528 20 0 DHADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C[C@@H]12 ZINC000346839676 1016598732 /nfs/dbraw/zinc/59/87/32/1016598732.db2.gz ZGFPECJPIZZLHZ-MISXGVKJSA-N 2 2 318.770 3.528 20 0 DHADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000684845171 1016662866 /nfs/dbraw/zinc/66/28/66/1016662866.db2.gz VTPAQQXVYGBSBT-AWEZNQCLSA-N 2 2 310.869 3.703 20 0 DHADLP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(Cl)c1 ZINC000684845171 1016662873 /nfs/dbraw/zinc/66/28/73/1016662873.db2.gz VTPAQQXVYGBSBT-AWEZNQCLSA-N 2 2 310.869 3.703 20 0 DHADLP CCC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccn1 ZINC000347002902 1016676492 /nfs/dbraw/zinc/67/64/92/1016676492.db2.gz ZQRYQNRIHJMISG-IBGZPJMESA-N 2 2 320.440 3.957 20 0 DHADLP FC(F)(F)C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000336850059 1016722654 /nfs/dbraw/zinc/72/26/54/1016722654.db2.gz MHYPKXDUKNHAPC-INIZCTEOSA-N 2 2 312.379 3.897 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347104148 1016743345 /nfs/dbraw/zinc/74/33/45/1016743345.db2.gz ZCKGJLGLUJOGEL-SUMWQHHRSA-N 2 2 302.805 3.949 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347104148 1016743356 /nfs/dbraw/zinc/74/33/56/1016743356.db2.gz ZCKGJLGLUJOGEL-SUMWQHHRSA-N 2 2 302.805 3.949 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000337828345 1016763594 /nfs/dbraw/zinc/76/35/94/1016763594.db2.gz URYBYNUUYPMFCE-HXUWFJFHSA-N 2 2 323.484 3.780 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000337828345 1016763606 /nfs/dbraw/zinc/76/36/06/1016763606.db2.gz URYBYNUUYPMFCE-HXUWFJFHSA-N 2 2 323.484 3.780 20 0 DHADLP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000342609295 1016845790 /nfs/dbraw/zinc/84/57/90/1016845790.db2.gz UZUDUDPEFUJUPG-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000342609295 1016845807 /nfs/dbraw/zinc/84/58/07/1016845807.db2.gz UZUDUDPEFUJUPG-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000342609295 1016845822 /nfs/dbraw/zinc/84/58/22/1016845822.db2.gz UZUDUDPEFUJUPG-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000342609295 1016845839 /nfs/dbraw/zinc/84/58/39/1016845839.db2.gz UZUDUDPEFUJUPG-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP CC(C)COc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000342630584 1016889492 /nfs/dbraw/zinc/88/94/92/1016889492.db2.gz CHKBWYCFWRUBPQ-QGZVFWFLSA-N 2 2 313.445 3.824 20 0 DHADLP CC(C)COc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000342630584 1016889515 /nfs/dbraw/zinc/88/95/15/1016889515.db2.gz CHKBWYCFWRUBPQ-QGZVFWFLSA-N 2 2 313.445 3.824 20 0 DHADLP CC(C)C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccn1 ZINC000152740343 1016979942 /nfs/dbraw/zinc/97/99/42/1016979942.db2.gz QMFBJRZPICWDPQ-SFHVURJKSA-N 2 2 312.461 3.534 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)[C@@H](c1ccccc1)c1ccccn1 ZINC000119946631 1016985245 /nfs/dbraw/zinc/98/52/45/1016985245.db2.gz VXGZRQDRPVMYMQ-FQEVSTJZSA-N 2 2 309.457 3.589 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)[C@@H](c1ccccc1)c1ccccn1 ZINC000119946631 1016985252 /nfs/dbraw/zinc/98/52/52/1016985252.db2.gz VXGZRQDRPVMYMQ-FQEVSTJZSA-N 2 2 309.457 3.589 20 0 DHADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(F)ccc1F ZINC000152758042 1016991126 /nfs/dbraw/zinc/99/11/26/1016991126.db2.gz AJDWCVFOXDXXOZ-KRWDZBQOSA-N 2 2 319.399 3.781 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000361946656 1032168769 /nfs/dbraw/zinc/16/87/69/1032168769.db2.gz UXBKLJSGSDPQFC-LBPRGKRZSA-N 2 2 310.228 3.716 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000361946656 1032168809 /nfs/dbraw/zinc/16/88/09/1032168809.db2.gz UXBKLJSGSDPQFC-LBPRGKRZSA-N 2 2 310.228 3.716 20 0 DHADLP C[C@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CS1 ZINC000655771287 1032182435 /nfs/dbraw/zinc/18/24/35/1032182435.db2.gz GGVOLFCQHXMNKX-QWHCGFSZSA-N 2 2 321.877 3.899 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CS1 ZINC000655771286 1032183239 /nfs/dbraw/zinc/18/32/39/1032183239.db2.gz GGVOLFCQHXMNKX-OLZOCXBDSA-N 2 2 321.877 3.899 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000537636083 1032439815 /nfs/dbraw/zinc/43/98/15/1032439815.db2.gz KKLGXOILEVXAKU-CRAIPNDOSA-N 2 2 316.489 3.705 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000537636083 1032439822 /nfs/dbraw/zinc/43/98/22/1032439822.db2.gz KKLGXOILEVXAKU-CRAIPNDOSA-N 2 2 316.489 3.705 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000537636083 1032439826 /nfs/dbraw/zinc/43/98/26/1032439826.db2.gz KKLGXOILEVXAKU-CRAIPNDOSA-N 2 2 316.489 3.705 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000537636083 1032439830 /nfs/dbraw/zinc/43/98/30/1032439830.db2.gz KKLGXOILEVXAKU-CRAIPNDOSA-N 2 2 316.489 3.705 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(CC(C)C)s2)CC1 ZINC000092166011 1032479058 /nfs/dbraw/zinc/47/90/58/1032479058.db2.gz NRUOHIBJIDXMDZ-UHFFFAOYSA-N 2 2 309.523 3.648 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(CC(C)C)s2)CC1 ZINC000092166011 1032479064 /nfs/dbraw/zinc/47/90/64/1032479064.db2.gz NRUOHIBJIDXMDZ-UHFFFAOYSA-N 2 2 309.523 3.648 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1(C)C ZINC000623541216 1017097068 /nfs/dbraw/zinc/09/70/68/1017097068.db2.gz YNIHZJAPOBUFMU-DGCLKSJQSA-N 2 2 312.379 3.554 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1(C)C ZINC000623541216 1017097079 /nfs/dbraw/zinc/09/70/79/1017097079.db2.gz YNIHZJAPOBUFMU-DGCLKSJQSA-N 2 2 312.379 3.554 20 0 DHADLP Cc1ncsc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000092588050 1032502916 /nfs/dbraw/zinc/50/29/16/1032502916.db2.gz YQHLJMABMKDSJL-GOEBONIOSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncsc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000092588050 1032502929 /nfs/dbraw/zinc/50/29/29/1032502929.db2.gz YQHLJMABMKDSJL-GOEBONIOSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncsc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000092588050 1032502947 /nfs/dbraw/zinc/50/29/47/1032502947.db2.gz YQHLJMABMKDSJL-GOEBONIOSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncsc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000092588050 1032502956 /nfs/dbraw/zinc/50/29/56/1032502956.db2.gz YQHLJMABMKDSJL-GOEBONIOSA-N 2 2 307.507 3.538 20 0 DHADLP COCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000092587893 1032503623 /nfs/dbraw/zinc/50/36/23/1032503623.db2.gz POLAHMBKMZSLGM-IAGOWNOFSA-N 2 2 320.477 3.512 20 0 DHADLP COCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000092587893 1032503627 /nfs/dbraw/zinc/50/36/27/1032503627.db2.gz POLAHMBKMZSLGM-IAGOWNOFSA-N 2 2 320.477 3.512 20 0 DHADLP COCc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000092587893 1032503637 /nfs/dbraw/zinc/50/36/37/1032503637.db2.gz POLAHMBKMZSLGM-IAGOWNOFSA-N 2 2 320.477 3.512 20 0 DHADLP COCc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000092587893 1032503642 /nfs/dbraw/zinc/50/36/42/1032503642.db2.gz POLAHMBKMZSLGM-IAGOWNOFSA-N 2 2 320.477 3.512 20 0 DHADLP c1cn(C2CC[NH+](Cc3ccccc3OCC3CC3)CC2)c[nH+]1 ZINC000092648840 1032505993 /nfs/dbraw/zinc/50/59/93/1032505993.db2.gz CWESOQBWYTYPNZ-UHFFFAOYSA-N 2 2 311.429 3.509 20 0 DHADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000093564031 1032545135 /nfs/dbraw/zinc/54/51/35/1032545135.db2.gz QZUDAIPZXLPXDX-HNNXBMFYSA-N 2 2 321.534 3.891 20 0 DHADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000093564031 1032545143 /nfs/dbraw/zinc/54/51/43/1032545143.db2.gz QZUDAIPZXLPXDX-HNNXBMFYSA-N 2 2 321.534 3.891 20 0 DHADLP CC[N@@H+](Cc1cccnc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564726 1032546415 /nfs/dbraw/zinc/54/64/15/1032546415.db2.gz FKKWYWYQQRKYER-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP CC[N@H+](Cc1cccnc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564726 1032546419 /nfs/dbraw/zinc/54/64/19/1032546419.db2.gz FKKWYWYQQRKYER-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563934 1032546466 /nfs/dbraw/zinc/54/64/66/1032546466.db2.gz ZCEQUOMYKKKCHF-BQFCYCMXSA-N 2 2 302.462 3.853 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563934 1032546472 /nfs/dbraw/zinc/54/64/72/1032546472.db2.gz ZCEQUOMYKKKCHF-BQFCYCMXSA-N 2 2 302.462 3.853 20 0 DHADLP CC(C)n1c[nH+]cc1CNc1ccc(CC[NH+]2CCCC2)cc1 ZINC000424156060 1011922615 /nfs/dbraw/zinc/92/26/15/1011922615.db2.gz OPHLHWGFFRCRGV-UHFFFAOYSA-N 2 2 312.461 3.714 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000424342555 1012005944 /nfs/dbraw/zinc/00/59/44/1012005944.db2.gz DHJOBWZYWBSVRQ-RLAWYHOSSA-N 2 2 308.853 3.624 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000424342555 1012005955 /nfs/dbraw/zinc/00/59/55/1012005955.db2.gz DHJOBWZYWBSVRQ-RLAWYHOSSA-N 2 2 308.853 3.624 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000643546517 1012089718 /nfs/dbraw/zinc/08/97/18/1012089718.db2.gz PWIUQUVNIQKSTG-CRAIPNDOSA-N 3 2 324.472 3.506 20 0 DHADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCc3ccccc3C3CC3)c2)C1 ZINC001167052893 1012117975 /nfs/dbraw/zinc/11/79/75/1012117975.db2.gz YGKAFWWYUQRFPN-LJQANCHMSA-N 2 2 321.468 3.709 20 0 DHADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCc3ccccc3C3CC3)c2)C1 ZINC001167052893 1012117989 /nfs/dbraw/zinc/11/79/89/1012117989.db2.gz YGKAFWWYUQRFPN-LJQANCHMSA-N 2 2 321.468 3.709 20 0 DHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001206768002 1012226339 /nfs/dbraw/zinc/22/63/39/1012226339.db2.gz GPQGUGNGSVDHIG-ZJUUUORDSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001206768002 1012226357 /nfs/dbraw/zinc/22/63/57/1012226357.db2.gz GPQGUGNGSVDHIG-ZJUUUORDSA-N 2 2 322.321 3.543 20 0 DHADLP Cc1nc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)s1 ZINC000037156043 1032639640 /nfs/dbraw/zinc/63/96/40/1032639640.db2.gz PRQXFULERAANSK-BXUZGUMPSA-N 2 2 306.479 3.722 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000123633361 1032652628 /nfs/dbraw/zinc/65/26/28/1032652628.db2.gz JUAWNGIFODFVIZ-HOCLYGCPSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)CC[N@H+]1C ZINC000123633361 1032652642 /nfs/dbraw/zinc/65/26/42/1032652642.db2.gz JUAWNGIFODFVIZ-HOCLYGCPSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)CC[NH+]1C ZINC000123633361 1032652646 /nfs/dbraw/zinc/65/26/46/1032652646.db2.gz JUAWNGIFODFVIZ-HOCLYGCPSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)CC[NH+]1C ZINC000123633361 1032652702 /nfs/dbraw/zinc/65/27/02/1032652702.db2.gz JUAWNGIFODFVIZ-HOCLYGCPSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000123632861 1032653229 /nfs/dbraw/zinc/65/32/29/1032653229.db2.gz JUAWNGIFODFVIZ-GOEBONIOSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)CC[N@H+]1C ZINC000123632861 1032653237 /nfs/dbraw/zinc/65/32/37/1032653237.db2.gz JUAWNGIFODFVIZ-GOEBONIOSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)CC[NH+]1C ZINC000123632861 1032653247 /nfs/dbraw/zinc/65/32/47/1032653247.db2.gz JUAWNGIFODFVIZ-GOEBONIOSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)CC[NH+]1C ZINC000123632861 1032653256 /nfs/dbraw/zinc/65/32/56/1032653256.db2.gz JUAWNGIFODFVIZ-GOEBONIOSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000123633088 1032654289 /nfs/dbraw/zinc/65/42/89/1032654289.db2.gz JUAWNGIFODFVIZ-ZBFHGGJFSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)CC[N@H+]1C ZINC000123633088 1032654298 /nfs/dbraw/zinc/65/42/98/1032654298.db2.gz JUAWNGIFODFVIZ-ZBFHGGJFSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)CC[NH+]1C ZINC000123633088 1032654310 /nfs/dbraw/zinc/65/43/10/1032654310.db2.gz JUAWNGIFODFVIZ-ZBFHGGJFSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)CC[NH+]1C ZINC000123633088 1032654318 /nfs/dbraw/zinc/65/43/18/1032654318.db2.gz JUAWNGIFODFVIZ-ZBFHGGJFSA-N 2 2 315.486 3.725 20 0 DHADLP Fc1cc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1F ZINC001167961365 1012776326 /nfs/dbraw/zinc/77/63/26/1012776326.db2.gz IYJBUXZHAGGWTB-GOOCMWNKSA-N 2 2 324.390 3.599 20 0 DHADLP Fc1cc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1F ZINC001167961365 1012776340 /nfs/dbraw/zinc/77/63/40/1012776340.db2.gz IYJBUXZHAGGWTB-GOOCMWNKSA-N 2 2 324.390 3.599 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000123743051 1032660742 /nfs/dbraw/zinc/66/07/42/1032660742.db2.gz CXEKKLCCUDMZRI-JSGCOSHPSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000123743051 1032660747 /nfs/dbraw/zinc/66/07/47/1032660747.db2.gz CXEKKLCCUDMZRI-JSGCOSHPSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123743051 1032660758 /nfs/dbraw/zinc/66/07/58/1032660758.db2.gz CXEKKLCCUDMZRI-JSGCOSHPSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123743051 1032660769 /nfs/dbraw/zinc/66/07/69/1032660769.db2.gz CXEKKLCCUDMZRI-JSGCOSHPSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cnn(C2CCCC2)c1 ZINC000516964538 1012879754 /nfs/dbraw/zinc/87/97/54/1012879754.db2.gz PFVPRENAZUCLNU-KSSFIOAISA-N 2 2 304.482 3.556 20 0 DHADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cnn(C2CCCC2)c1 ZINC000516964537 1012880562 /nfs/dbraw/zinc/88/05/62/1012880562.db2.gz PFVPRENAZUCLNU-KDOFPFPSSA-N 2 2 304.482 3.556 20 0 DHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000425950496 1013000367 /nfs/dbraw/zinc/00/03/67/1013000367.db2.gz AFPXXGXQWCANJK-HNNXBMFYSA-N 2 2 316.445 3.503 20 0 DHADLP Fc1cccc(Cl)c1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000475350154 1017159762 /nfs/dbraw/zinc/15/97/62/1017159762.db2.gz IVARELLIMPETKX-OAHLLOKOSA-N 2 2 324.871 3.829 20 0 DHADLP Fc1cccc(Cl)c1CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000475350154 1017159768 /nfs/dbraw/zinc/15/97/68/1017159768.db2.gz IVARELLIMPETKX-OAHLLOKOSA-N 2 2 324.871 3.829 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000657522493 1017168219 /nfs/dbraw/zinc/16/82/19/1017168219.db2.gz BTUMZXQJNIAWAM-CQSZACIVSA-N 2 2 317.864 3.851 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000657522493 1017168224 /nfs/dbraw/zinc/16/82/24/1017168224.db2.gz BTUMZXQJNIAWAM-CQSZACIVSA-N 2 2 317.864 3.851 20 0 DHADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC000657534116 1017212272 /nfs/dbraw/zinc/21/22/72/1017212272.db2.gz DZRZGRYRGRLQET-MJGOQNOKSA-N 2 2 323.484 3.828 20 0 DHADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC000657534116 1017212277 /nfs/dbraw/zinc/21/22/77/1017212277.db2.gz DZRZGRYRGRLQET-MJGOQNOKSA-N 2 2 323.484 3.828 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3c3ccncc3)cc2)c[nH+]1 ZINC000125351403 1032702709 /nfs/dbraw/zinc/70/27/09/1032702709.db2.gz IGMJVSZYUUWXTB-IBGZPJMESA-N 2 2 304.397 3.604 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3c3ccncc3)cc2)c[nH+]1 ZINC000125351403 1032702717 /nfs/dbraw/zinc/70/27/17/1032702717.db2.gz IGMJVSZYUUWXTB-IBGZPJMESA-N 2 2 304.397 3.604 20 0 DHADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180918874 1017518975 /nfs/dbraw/zinc/51/89/75/1017518975.db2.gz NUJUSMVRJGJJGD-OAHLLOKOSA-N 2 2 300.402 3.503 20 0 DHADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180918874 1017518990 /nfs/dbraw/zinc/51/89/90/1017518990.db2.gz NUJUSMVRJGJJGD-OAHLLOKOSA-N 2 2 300.402 3.503 20 0 DHADLP Cc1csc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)n1 ZINC000623858283 1017536163 /nfs/dbraw/zinc/53/61/63/1017536163.db2.gz HOPYTYAJFNWMQZ-AWEZNQCLSA-N 2 2 312.442 3.547 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)[C@H]1CCCCO1)c1ccccc1 ZINC000623894640 1017560696 /nfs/dbraw/zinc/56/06/96/1017560696.db2.gz ZJYLLAPSVNYERV-XYJFISCASA-N 2 2 304.478 3.663 20 0 DHADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000623974391 1017618413 /nfs/dbraw/zinc/61/84/13/1017618413.db2.gz DFLFNHFWDCXKDD-DOTOQJQBSA-N 2 2 315.486 3.624 20 0 DHADLP Cc1csc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623974391 1017618420 /nfs/dbraw/zinc/61/84/20/1017618420.db2.gz DFLFNHFWDCXKDD-DOTOQJQBSA-N 2 2 315.486 3.624 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181069430 1017722205 /nfs/dbraw/zinc/72/22/05/1017722205.db2.gz PSTOCMKKMCPNHB-ZDUSSCGKSA-N 2 2 322.250 3.729 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181069430 1017722218 /nfs/dbraw/zinc/72/22/18/1017722218.db2.gz PSTOCMKKMCPNHB-ZDUSSCGKSA-N 2 2 322.250 3.729 20 0 DHADLP Clc1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000078887944 1017865792 /nfs/dbraw/zinc/86/57/92/1017865792.db2.gz AADJQNUDZUBQHC-UHFFFAOYSA-N 2 2 311.816 3.875 20 0 DHADLP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)o1 ZINC000628201982 1018021322 /nfs/dbraw/zinc/02/13/22/1018021322.db2.gz CPEIIEPJONBJKJ-HNNXBMFYSA-N 2 2 313.445 3.647 20 0 DHADLP Cc1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)o1 ZINC000628201982 1018021336 /nfs/dbraw/zinc/02/13/36/1018021336.db2.gz CPEIIEPJONBJKJ-HNNXBMFYSA-N 2 2 313.445 3.647 20 0 DHADLP C[C@H](CC[NH2+][C@@H](C)c1nc2c(s1)CCCC2)[NH+]1CCCCC1 ZINC000184498227 1018085375 /nfs/dbraw/zinc/08/53/75/1018085375.db2.gz UZFVQHHRKJHKRC-CABCVRRESA-N 2 2 321.534 3.937 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2COCc3ccccc32)C[C@H]1c1ccccc1 ZINC000417357452 1018164813 /nfs/dbraw/zinc/16/48/13/1018164813.db2.gz GLOSPSKBMTYSER-JBACZVJFSA-N 2 2 322.452 3.683 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2COCc3ccccc32)C[C@H]1c1ccccc1 ZINC000417357452 1018164821 /nfs/dbraw/zinc/16/48/21/1018164821.db2.gz GLOSPSKBMTYSER-JBACZVJFSA-N 2 2 322.452 3.683 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000155000887 1018233197 /nfs/dbraw/zinc/23/31/97/1018233197.db2.gz ZEHOVTBBFDBJPU-KRWDZBQOSA-N 2 2 305.372 3.950 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)o1 ZINC000278196833 1018327479 /nfs/dbraw/zinc/32/74/79/1018327479.db2.gz FZGZASKMFWVZLA-HNNXBMFYSA-N 2 2 309.413 3.992 20 0 DHADLP CCO[C@@H](CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000155732291 1018335105 /nfs/dbraw/zinc/33/51/05/1018335105.db2.gz CZJXFBDPCAPQNI-APWZRJJASA-N 2 2 315.461 3.974 20 0 DHADLP Clc1cccc2c1SCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427844588 1018338600 /nfs/dbraw/zinc/33/86/00/1018338600.db2.gz OGHLUOUIWBDTTC-BXUZGUMPSA-N 2 2 319.861 3.678 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000764890286 1018411318 /nfs/dbraw/zinc/41/13/18/1018411318.db2.gz VBOHITQNPYGKGY-RYUDHWBXSA-N 2 2 311.401 3.937 20 0 DHADLP CCCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000658295977 1018423853 /nfs/dbraw/zinc/42/38/53/1018423853.db2.gz WQUFSQNFLHWTSJ-UXHICEINSA-N 2 2 316.489 3.761 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@H]3CC[N@H+](CC4CC4)C3)ccc2c1 ZINC000675832997 1018605485 /nfs/dbraw/zinc/60/54/85/1018605485.db2.gz GHKACDPAHJKQQB-QRWLVFNGSA-N 2 2 324.468 3.983 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@H]3CC[N@@H+](CC4CC4)C3)ccc2c1 ZINC000675832997 1018605491 /nfs/dbraw/zinc/60/54/91/1018605491.db2.gz GHKACDPAHJKQQB-QRWLVFNGSA-N 2 2 324.468 3.983 20 0 DHADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cncc(F)c1 ZINC000675924686 1018626264 /nfs/dbraw/zinc/62/62/64/1018626264.db2.gz ZXQMFCXYPZVURK-KSSFIOAISA-N 2 2 324.403 3.589 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923695 1018626582 /nfs/dbraw/zinc/62/65/82/1018626582.db2.gz TUIWQGOUZSTYPW-LPHOPBHVSA-N 2 2 323.440 3.908 20 0 DHADLP COc1ccc([C@H](CC(C)C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000647304487 1018639139 /nfs/dbraw/zinc/63/91/39/1018639139.db2.gz PWYBWZBYMOYDRC-YJBOKZPZSA-N 2 2 313.445 3.653 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cnn(-c2ccccc2)c1 ZINC000765427465 1018788284 /nfs/dbraw/zinc/78/82/84/1018788284.db2.gz PKBCELNSVBWDBF-INIZCTEOSA-N 2 2 324.472 3.540 20 0 DHADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)c[nH+]1 ZINC000151317837 1018811992 /nfs/dbraw/zinc/81/19/92/1018811992.db2.gz RFFSJERZKASHLV-HXUWFJFHSA-N 2 2 303.409 3.709 20 0 DHADLP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1F ZINC000584023309 1018866526 /nfs/dbraw/zinc/86/65/26/1018866526.db2.gz GEAGFEAMUUFNAT-YVEFUNNKSA-N 2 2 305.372 3.532 20 0 DHADLP C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000921798923 1018866852 /nfs/dbraw/zinc/86/68/52/1018866852.db2.gz KJTCVGKLQSKLEL-OAHLLOKOSA-N 2 2 321.428 3.645 20 0 DHADLP Cc1cccc2c1CC[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001171577236 1032790858 /nfs/dbraw/zinc/79/08/58/1032790858.db2.gz CUNRLQJSEBIHCX-LJQANCHMSA-N 2 2 321.468 3.506 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+]C1CC(CF)(CF)C1)c1ccccc1 ZINC000657819648 1018872499 /nfs/dbraw/zinc/87/24/99/1018872499.db2.gz YLGAVENFCCTNNN-KRWDZBQOSA-N 2 2 310.432 3.747 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(C)cc3)n2)CC[C@H]1[NH3+] ZINC000316840288 1018874034 /nfs/dbraw/zinc/87/40/34/1018874034.db2.gz MNPCSEURXUEDCL-RHSMWYFYSA-N 2 2 315.486 3.678 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C)cc3)n2)CC[C@H]1[NH3+] ZINC000316840288 1018874046 /nfs/dbraw/zinc/87/40/46/1018874046.db2.gz MNPCSEURXUEDCL-RHSMWYFYSA-N 2 2 315.486 3.678 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000450710682 1018934438 /nfs/dbraw/zinc/93/44/38/1018934438.db2.gz NSNNLAXZFFNUCM-UKRRQHHQSA-N 2 2 305.372 3.958 20 0 DHADLP COC1CCC([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000387353306 1019090017 /nfs/dbraw/zinc/09/00/17/1019090017.db2.gz GNDJMLAYXOGIOG-UHFFFAOYSA-N 2 2 316.489 3.588 20 0 DHADLP COC1CCC([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000387353306 1019090033 /nfs/dbraw/zinc/09/00/33/1019090033.db2.gz GNDJMLAYXOGIOG-UHFFFAOYSA-N 2 2 316.489 3.588 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000347916585 1019107071 /nfs/dbraw/zinc/10/70/71/1019107071.db2.gz FKPAOGSYBBBVFT-INIZCTEOSA-N 3 2 314.477 3.562 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000347916585 1019107086 /nfs/dbraw/zinc/10/70/86/1019107086.db2.gz FKPAOGSYBBBVFT-INIZCTEOSA-N 3 2 314.477 3.562 20 0 DHADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2n1 ZINC000080974146 1019137541 /nfs/dbraw/zinc/13/75/41/1019137541.db2.gz GNOVXVWUVXYOPH-OAHLLOKOSA-N 2 2 306.413 3.646 20 0 DHADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2n1 ZINC000080974146 1019137550 /nfs/dbraw/zinc/13/75/50/1019137550.db2.gz GNOVXVWUVXYOPH-OAHLLOKOSA-N 2 2 306.413 3.646 20 0 DHADLP CC[N@H+](Cc1ncc(C2CC2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062776 1019278956 /nfs/dbraw/zinc/27/89/56/1019278956.db2.gz GHSWCTZDXPNRST-UHFFFAOYSA-N 2 2 313.445 3.636 20 0 DHADLP CC[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062776 1019278962 /nfs/dbraw/zinc/27/89/62/1019278962.db2.gz GHSWCTZDXPNRST-UHFFFAOYSA-N 2 2 313.445 3.636 20 0 DHADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCSC2)C[N@@H+]1Cc1ccccc1 ZINC000672621003 1019312450 /nfs/dbraw/zinc/31/24/50/1019312450.db2.gz JUYLHJMCMFEBCK-ZWKOTPCHSA-N 2 2 318.530 3.772 20 0 DHADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCSC2)C[N@H+]1Cc1ccccc1 ZINC000672621003 1019312466 /nfs/dbraw/zinc/31/24/66/1019312466.db2.gz JUYLHJMCMFEBCK-ZWKOTPCHSA-N 2 2 318.530 3.772 20 0 DHADLP Cc1csc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000086279164 1019316556 /nfs/dbraw/zinc/31/65/56/1019316556.db2.gz KWESTPNFGJZYIR-CYBMUJFWSA-N 2 2 312.442 3.796 20 0 DHADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000090668063 1019412246 /nfs/dbraw/zinc/41/22/46/1019412246.db2.gz WLRSNPKGVVEATC-HNAYVOBHSA-N 2 2 301.478 3.631 20 0 DHADLP C[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cn1)[N@H+](C)Cc1ccccc1 ZINC000092766169 1019547624 /nfs/dbraw/zinc/54/76/24/1019547624.db2.gz ALCIDAZHHJVGOR-HOTGVXAUSA-N 2 2 315.436 3.782 20 0 DHADLP C[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cn1)[N@@H+](C)Cc1ccccc1 ZINC000092766169 1019547634 /nfs/dbraw/zinc/54/76/34/1019547634.db2.gz ALCIDAZHHJVGOR-HOTGVXAUSA-N 2 2 315.436 3.782 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1N(C)C ZINC000093945337 1019593324 /nfs/dbraw/zinc/59/33/24/1019593324.db2.gz NCYOWHRNLGWFFW-INIZCTEOSA-N 2 2 320.440 3.789 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccns1 ZINC000858317941 1032844643 /nfs/dbraw/zinc/84/46/43/1032844643.db2.gz IVJWGXAPGRPRPB-HLLBOEOZSA-N 2 2 315.486 3.847 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccns1 ZINC000858317941 1032844662 /nfs/dbraw/zinc/84/46/62/1032844662.db2.gz IVJWGXAPGRPRPB-HLLBOEOZSA-N 2 2 315.486 3.847 20 0 DHADLP CCc1cccc(Cl)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443824 1019826197 /nfs/dbraw/zinc/82/61/97/1019826197.db2.gz VAPRTHZAZLERPB-XYPWUTKMSA-N 2 2 306.881 3.959 20 0 DHADLP CCc1cccc(Cl)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443824 1019826213 /nfs/dbraw/zinc/82/62/13/1019826213.db2.gz VAPRTHZAZLERPB-XYPWUTKMSA-N 2 2 306.881 3.959 20 0 DHADLP CCc1cccc(Cl)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443824 1019826229 /nfs/dbraw/zinc/82/62/29/1019826229.db2.gz VAPRTHZAZLERPB-XYPWUTKMSA-N 2 2 306.881 3.959 20 0 DHADLP CCc1cccc(Cl)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443824 1019826238 /nfs/dbraw/zinc/82/62/38/1019826238.db2.gz VAPRTHZAZLERPB-XYPWUTKMSA-N 2 2 306.881 3.959 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(Oc3ccccc3)c1)C2 ZINC000685629453 1019987263 /nfs/dbraw/zinc/98/72/63/1019987263.db2.gz BNJCMTATBAGWTM-MRXNPFEDSA-N 2 2 319.408 3.849 20 0 DHADLP CS[C@@H]1CCC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000922335276 1020010892 /nfs/dbraw/zinc/01/08/92/1020010892.db2.gz JZQXNBCDIMHEDB-KSZLIROESA-N 2 2 315.486 3.888 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000359601381 1020017363 /nfs/dbraw/zinc/01/73/63/1020017363.db2.gz UUYKBTPNSGCAGP-SWLSCSKDSA-N 2 2 310.894 3.951 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000359601381 1020017371 /nfs/dbraw/zinc/01/73/71/1020017371.db2.gz UUYKBTPNSGCAGP-SWLSCSKDSA-N 2 2 310.894 3.951 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(-c2ccccc2)no1 ZINC000924524823 1020052735 /nfs/dbraw/zinc/05/27/35/1020052735.db2.gz CZEYPNGEODOGKQ-CQSZACIVSA-N 2 2 301.434 3.580 20 0 DHADLP CC[C@H](C[NH2+][C@@H](C)c1cc2ccncc2s1)[NH+]1CCCC1 ZINC000657833981 1020062585 /nfs/dbraw/zinc/06/25/85/1020062585.db2.gz XYQSPSGUXSWGRY-DZGCQCFKSA-N 2 2 303.475 3.821 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000658089867 1020132933 /nfs/dbraw/zinc/13/29/33/1020132933.db2.gz BKSPGLOZOPFFEL-YTQUADARSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000658089867 1020132942 /nfs/dbraw/zinc/13/29/42/1020132942.db2.gz BKSPGLOZOPFFEL-YTQUADARSA-N 2 2 316.489 3.617 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000658090158 1020135873 /nfs/dbraw/zinc/13/58/73/1020135873.db2.gz FDAWZIZHDMTSHX-HOTGVXAUSA-N 2 2 320.477 3.617 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000658090158 1020135877 /nfs/dbraw/zinc/13/58/77/1020135877.db2.gz FDAWZIZHDMTSHX-HOTGVXAUSA-N 2 2 320.477 3.617 20 0 DHADLP C(=C/c1ccccc1)\C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390633180 1020213609 /nfs/dbraw/zinc/21/36/09/1020213609.db2.gz AVLOTLLAPVURKJ-FAKWYAOSSA-N 2 2 306.453 3.954 20 0 DHADLP C(=C/c1ccccc1)\C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390633180 1020213617 /nfs/dbraw/zinc/21/36/17/1020213617.db2.gz AVLOTLLAPVURKJ-FAKWYAOSSA-N 2 2 306.453 3.954 20 0 DHADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000922740136 1020241813 /nfs/dbraw/zinc/24/18/13/1020241813.db2.gz CONDNDGWFRAIMZ-ICSRJNTNSA-N 2 2 323.484 3.841 20 0 DHADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000922740136 1020241819 /nfs/dbraw/zinc/24/18/19/1020241819.db2.gz CONDNDGWFRAIMZ-ICSRJNTNSA-N 2 2 323.484 3.841 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H](C)c1nc2ccccc2s1 ZINC000151132148 1020473149 /nfs/dbraw/zinc/47/31/49/1020473149.db2.gz XUGKKRMSWJDGLQ-ZIAGYGMSSA-N 2 2 314.458 3.665 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCNc3ccccc31)CCC2 ZINC000348074424 1020494635 /nfs/dbraw/zinc/49/46/35/1020494635.db2.gz LCUWCGGZBQZYHQ-YJBOKZPZSA-N 2 2 310.445 3.606 20 0 DHADLP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000858464880 1032908058 /nfs/dbraw/zinc/90/80/58/1032908058.db2.gz SDSCFBKCGKWDSM-ZBFHGGJFSA-N 2 2 319.880 3.719 20 0 DHADLP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000858464880 1032908071 /nfs/dbraw/zinc/90/80/71/1032908071.db2.gz SDSCFBKCGKWDSM-ZBFHGGJFSA-N 2 2 319.880 3.719 20 0 DHADLP Cc1ccc(C[C@H](C)[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347848793 1020577462 /nfs/dbraw/zinc/57/74/62/1020577462.db2.gz ISLASBKLNYOQIF-HNNXBMFYSA-N 2 2 317.502 3.576 20 0 DHADLP Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347848793 1020577468 /nfs/dbraw/zinc/57/74/68/1020577468.db2.gz ISLASBKLNYOQIF-HNNXBMFYSA-N 2 2 317.502 3.576 20 0 DHADLP CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347855720 1020598286 /nfs/dbraw/zinc/59/82/86/1020598286.db2.gz NTOKKLFMVOBXJT-HNNXBMFYSA-N 2 2 309.523 3.995 20 0 DHADLP CC(C)C[C@@H]1CCCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347855720 1020598290 /nfs/dbraw/zinc/59/82/90/1020598290.db2.gz NTOKKLFMVOBXJT-HNNXBMFYSA-N 2 2 309.523 3.995 20 0 DHADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347878004 1020641908 /nfs/dbraw/zinc/64/19/08/1020641908.db2.gz LTRBNHYFUVPLEX-PBHICJAKSA-N 2 2 315.486 3.583 20 0 DHADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347878004 1020641910 /nfs/dbraw/zinc/64/19/10/1020641910.db2.gz LTRBNHYFUVPLEX-PBHICJAKSA-N 2 2 315.486 3.583 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000570503664 1020745413 /nfs/dbraw/zinc/74/54/13/1020745413.db2.gz KGWAFNMRKMJTAJ-ZCDVPAHGSA-N 2 2 320.427 3.817 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C2)c1 ZINC000570503664 1020745422 /nfs/dbraw/zinc/74/54/22/1020745422.db2.gz KGWAFNMRKMJTAJ-ZCDVPAHGSA-N 2 2 320.427 3.817 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001171958753 1032925425 /nfs/dbraw/zinc/92/54/25/1032925425.db2.gz HCPYCIVTRZSFJG-ZIAGYGMSSA-N 2 2 314.395 3.710 20 0 DHADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001171959232 1032925535 /nfs/dbraw/zinc/92/55/35/1032925535.db2.gz SUZKJFIIDURQDN-BBRMVZONSA-N 2 2 314.395 3.709 20 0 DHADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001171959232 1032925551 /nfs/dbraw/zinc/92/55/51/1032925551.db2.gz SUZKJFIIDURQDN-BBRMVZONSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001172884261 1033458077 /nfs/dbraw/zinc/45/80/77/1033458077.db2.gz ZVBUZIUFQFJKNC-KEYYUXOJSA-N 2 2 324.921 3.847 20 0 DHADLP Cc1nocc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963802 1032933104 /nfs/dbraw/zinc/93/31/04/1032933104.db2.gz JJXZWRDJAJOXOM-SFHVURJKSA-N 2 2 313.445 3.516 20 0 DHADLP Cc1nocc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963802 1032933116 /nfs/dbraw/zinc/93/31/16/1032933116.db2.gz JJXZWRDJAJOXOM-SFHVURJKSA-N 2 2 313.445 3.516 20 0 DHADLP CCCSC[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000892527034 1020833743 /nfs/dbraw/zinc/83/37/43/1020833743.db2.gz GJRAMAHCYUNKMR-OAHLLOKOSA-N 2 2 303.475 3.553 20 0 DHADLP Clc1cccc([C@H]2CCC[C@@H]([NH2+]CCn3cc[nH+]c3)C2)c1 ZINC000414073076 1020845125 /nfs/dbraw/zinc/84/51/25/1020845125.db2.gz VOPXJOZPHVSQFJ-DOTOQJQBSA-N 2 2 303.837 3.853 20 0 DHADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414075647 1020849148 /nfs/dbraw/zinc/84/91/48/1020849148.db2.gz OBZLTQPZKJXWQX-ZDUSSCGKSA-N 2 2 312.442 3.666 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001172884261 1033458057 /nfs/dbraw/zinc/45/80/57/1033458057.db2.gz ZVBUZIUFQFJKNC-KEYYUXOJSA-N 2 2 324.921 3.847 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001172884261 1033458064 /nfs/dbraw/zinc/45/80/64/1033458064.db2.gz ZVBUZIUFQFJKNC-KEYYUXOJSA-N 2 2 324.921 3.847 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001172884261 1033458071 /nfs/dbraw/zinc/45/80/71/1033458071.db2.gz ZVBUZIUFQFJKNC-KEYYUXOJSA-N 2 2 324.921 3.847 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000858536544 1032935898 /nfs/dbraw/zinc/93/58/98/1032935898.db2.gz MEHMLOWBKIPPRM-WBMJQRKESA-N 2 2 319.399 3.609 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000858536544 1032935908 /nfs/dbraw/zinc/93/59/08/1032935908.db2.gz MEHMLOWBKIPPRM-WBMJQRKESA-N 2 2 319.399 3.609 20 0 DHADLP Fc1ccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCC2)c(F)c1 ZINC000414103096 1020892719 /nfs/dbraw/zinc/89/27/19/1020892719.db2.gz WLWGAJWIJWBYPK-UHFFFAOYSA-N 2 2 306.400 3.560 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@H]1C[C@H]1C ZINC000414111019 1020901014 /nfs/dbraw/zinc/90/10/14/1020901014.db2.gz WSWVEZIEMHFNPN-LTDCPUDJSA-N 2 2 301.478 3.631 20 0 DHADLP Fc1ccc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)c(F)c1 ZINC000179752793 1020997436 /nfs/dbraw/zinc/99/74/36/1020997436.db2.gz XBZOQBNHTSSCRE-LSDHHAIUSA-N 2 2 306.400 3.560 20 0 DHADLP Fc1ccc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)c(F)c1 ZINC000179752793 1020997443 /nfs/dbraw/zinc/99/74/43/1020997443.db2.gz XBZOQBNHTSSCRE-LSDHHAIUSA-N 2 2 306.400 3.560 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cccc(-c2ccncc2)c1 ZINC000766271050 1021000547 /nfs/dbraw/zinc/00/05/47/1021000547.db2.gz RBPUZJGOJQGTOT-DLBZAZTESA-N 2 2 309.457 3.884 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cccc(-c2ccncc2)c1 ZINC000766271050 1021000550 /nfs/dbraw/zinc/00/05/50/1021000550.db2.gz RBPUZJGOJQGTOT-DLBZAZTESA-N 2 2 309.457 3.884 20 0 DHADLP CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000414231481 1021018353 /nfs/dbraw/zinc/01/83/53/1021018353.db2.gz PBAREDSDMUDXAM-DOXZYTNZSA-N 2 2 313.445 3.727 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)c2ccccc12 ZINC000766274771 1021037455 /nfs/dbraw/zinc/03/74/55/1021037455.db2.gz UTGZKPIPFVHLQS-JKSUJKDBSA-N 2 2 312.457 3.983 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)c2ccccc12 ZINC000766274771 1021037463 /nfs/dbraw/zinc/03/74/63/1021037463.db2.gz UTGZKPIPFVHLQS-JKSUJKDBSA-N 2 2 312.457 3.983 20 0 DHADLP C[C@H](C[NH2+][C@H](c1ccccc1)C1CCOCC1)[NH+]1CCCCC1 ZINC000782757203 1021042331 /nfs/dbraw/zinc/04/23/31/1021042331.db2.gz IPKNNYUXDBDSLY-YLJYHZDGSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1n[nH]cc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000180559647 1021143879 /nfs/dbraw/zinc/14/38/79/1021143879.db2.gz ZSNRWMGOCWINTP-GOEBONIOSA-N 2 2 312.461 3.594 20 0 DHADLP CC1(C)C[C@H]([NH+]2Cc3cccnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976128 1032963294 /nfs/dbraw/zinc/96/32/94/1032963294.db2.gz ILVIFTCLDQHSJN-LJQANCHMSA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@H]([NH+]2Cc3cccnc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171976128 1032963302 /nfs/dbraw/zinc/96/33/02/1032963302.db2.gz ILVIFTCLDQHSJN-LJQANCHMSA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@H]([N@@H+]2Cc3cccnc3C2)CC[NH+]1Cc1ccccc1 ZINC001171976128 1032963310 /nfs/dbraw/zinc/96/33/10/1032963310.db2.gz ILVIFTCLDQHSJN-LJQANCHMSA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@H]([N@H+]2Cc3cccnc3C2)CC[NH+]1Cc1ccccc1 ZINC001171976128 1032963319 /nfs/dbraw/zinc/96/33/19/1032963319.db2.gz ILVIFTCLDQHSJN-LJQANCHMSA-N 2 2 321.468 3.840 20 0 DHADLP C[NH+](C)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000128181943 1021199264 /nfs/dbraw/zinc/19/92/64/1021199264.db2.gz ZPNHMGIGBGOMCA-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP CCC[NH+](CCC)CCCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000337392062 1032961832 /nfs/dbraw/zinc/96/18/32/1032961832.db2.gz LNFBGAAVGFSDKO-UHFFFAOYSA-N 2 2 316.449 3.712 20 0 DHADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337393309 1032963021 /nfs/dbraw/zinc/96/30/21/1032963021.db2.gz OICFUYWCEPLTTL-ZHALLVOQSA-N 2 2 301.478 3.572 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301890494 1021239474 /nfs/dbraw/zinc/23/94/74/1021239474.db2.gz QYHAFENUSWVFPE-WBVHZDCISA-N 2 2 320.440 3.885 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301890494 1021239484 /nfs/dbraw/zinc/23/94/84/1021239484.db2.gz QYHAFENUSWVFPE-WBVHZDCISA-N 2 2 320.440 3.885 20 0 DHADLP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)CO1 ZINC001171986194 1032969975 /nfs/dbraw/zinc/96/99/75/1032969975.db2.gz GJWRQOAZSGVJCP-LMMKCTJWSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)CO1 ZINC001171986194 1032969978 /nfs/dbraw/zinc/96/99/78/1032969978.db2.gz GJWRQOAZSGVJCP-LMMKCTJWSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)CO1 ZINC001171986194 1032969981 /nfs/dbraw/zinc/96/99/81/1032969981.db2.gz GJWRQOAZSGVJCP-LMMKCTJWSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)CO1 ZINC001171986194 1032969984 /nfs/dbraw/zinc/96/99/84/1032969984.db2.gz GJWRQOAZSGVJCP-LMMKCTJWSA-N 2 2 316.489 3.539 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCC3CCC3)CC2)cc1 ZINC000850379304 1021499823 /nfs/dbraw/zinc/49/98/23/1021499823.db2.gz KKUXKUYHSCGEMK-UHFFFAOYSA-N 2 2 315.505 3.891 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000556214586 1021614097 /nfs/dbraw/zinc/61/40/97/1021614097.db2.gz VRTHLUFITGYBQP-DBVUQKKJSA-N 2 2 318.505 3.789 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093742356 1021665509 /nfs/dbraw/zinc/66/55/09/1021665509.db2.gz WFBXWBXTMLZOGW-CQSZACIVSA-N 2 2 309.523 3.604 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093742356 1021665514 /nfs/dbraw/zinc/66/55/14/1021665514.db2.gz WFBXWBXTMLZOGW-CQSZACIVSA-N 2 2 309.523 3.604 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093742356 1021665518 /nfs/dbraw/zinc/66/55/18/1021665518.db2.gz WFBXWBXTMLZOGW-CQSZACIVSA-N 2 2 309.523 3.604 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000093742356 1021665523 /nfs/dbraw/zinc/66/55/23/1021665523.db2.gz WFBXWBXTMLZOGW-CQSZACIVSA-N 2 2 309.523 3.604 20 0 DHADLP C[C@H](CCC(C)(C)C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000556588059 1021785272 /nfs/dbraw/zinc/78/52/72/1021785272.db2.gz HQDXGCFVLTZWPN-QGZVFWFLSA-N 2 2 318.505 3.823 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCC34CCC4)C2)CC1 ZINC000337463025 1033009726 /nfs/dbraw/zinc/00/97/26/1033009726.db2.gz KYMVKABISSBFQH-NRXISQOPSA-N 2 2 316.411 3.714 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000261953481 1021857816 /nfs/dbraw/zinc/85/78/16/1021857816.db2.gz NPBAMFMONOISTK-TZMCWYRMSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000261953481 1021857826 /nfs/dbraw/zinc/85/78/26/1021857826.db2.gz NPBAMFMONOISTK-TZMCWYRMSA-N 2 2 319.836 3.554 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cs2)cc1 ZINC000262566823 1021960981 /nfs/dbraw/zinc/96/09/81/1021960981.db2.gz WURLVMHZGBVKOK-HOCLYGCPSA-N 2 2 315.486 3.535 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cs2)cc1 ZINC000262566823 1021960991 /nfs/dbraw/zinc/96/09/91/1021960991.db2.gz WURLVMHZGBVKOK-HOCLYGCPSA-N 2 2 315.486 3.535 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3c4ccccc4oc3C1)C2 ZINC001172123535 1033022349 /nfs/dbraw/zinc/02/23/49/1033022349.db2.gz DXIPUTUUMGEQKR-MUJYYYPQSA-N 2 2 310.441 3.806 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3c4ccccc4oc3C1)C2 ZINC001172123535 1033022364 /nfs/dbraw/zinc/02/23/64/1033022364.db2.gz DXIPUTUUMGEQKR-MUJYYYPQSA-N 2 2 310.441 3.806 20 0 DHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3c4ccccc4oc3C1)C2 ZINC001172123535 1033022378 /nfs/dbraw/zinc/02/23/78/1033022378.db2.gz DXIPUTUUMGEQKR-MUJYYYPQSA-N 2 2 310.441 3.806 20 0 DHADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3c4ccccc4oc3C1)C2 ZINC001172123535 1033022388 /nfs/dbraw/zinc/02/23/88/1033022388.db2.gz DXIPUTUUMGEQKR-MUJYYYPQSA-N 2 2 310.441 3.806 20 0 DHADLP ClC(Cl)=CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000851998004 1022058630 /nfs/dbraw/zinc/05/86/30/1022058630.db2.gz PDRFWQCBPSBGDP-UHFFFAOYSA-N 2 2 314.260 3.718 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000338942117 1022084866 /nfs/dbraw/zinc/08/48/66/1022084866.db2.gz IMWAJVLIVOSZKU-IBGZPJMESA-N 2 2 315.505 3.588 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000338942117 1022084882 /nfs/dbraw/zinc/08/48/82/1022084882.db2.gz IMWAJVLIVOSZKU-IBGZPJMESA-N 2 2 315.505 3.588 20 0 DHADLP C[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000179992230 1022101252 /nfs/dbraw/zinc/10/12/52/1022101252.db2.gz PLKHCYRCVLMCKP-OAHLLOKOSA-N 2 2 301.478 3.818 20 0 DHADLP CN(c1ccccc1)c1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000620439873 1022154877 /nfs/dbraw/zinc/15/48/77/1022154877.db2.gz TUUJDGZLQNKBBX-UHFFFAOYSA-N 2 2 309.457 3.640 20 0 DHADLP Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nn1C ZINC000337495625 1033033306 /nfs/dbraw/zinc/03/33/06/1033033306.db2.gz YDIMUZXESREKRY-HUUCEWRRSA-N 2 2 323.444 3.634 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1cc(F)ccc1F)C2 ZINC001169143102 1022275141 /nfs/dbraw/zinc/27/51/41/1022275141.db2.gz XOLDUFAWGWFMGZ-LDDOYCOJSA-N 2 2 306.400 3.727 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]1c1cc(F)ccc1F)C2 ZINC001169143102 1022275151 /nfs/dbraw/zinc/27/51/51/1022275151.db2.gz XOLDUFAWGWFMGZ-LDDOYCOJSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1c1cc(F)ccc1F)C2 ZINC001169143102 1022275162 /nfs/dbraw/zinc/27/51/62/1022275162.db2.gz XOLDUFAWGWFMGZ-LDDOYCOJSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1c1cc(F)ccc1F)C2 ZINC001169143102 1022275169 /nfs/dbraw/zinc/27/51/69/1022275169.db2.gz XOLDUFAWGWFMGZ-LDDOYCOJSA-N 2 2 306.400 3.727 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1cc(F)ccc1F)C2 ZINC001169143096 1022275186 /nfs/dbraw/zinc/27/51/86/1022275186.db2.gz XOLDUFAWGWFMGZ-BASYENTBSA-N 2 2 306.400 3.727 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1cc(F)ccc1F)C2 ZINC001169143096 1022275190 /nfs/dbraw/zinc/27/51/90/1022275190.db2.gz XOLDUFAWGWFMGZ-BASYENTBSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1cc(F)ccc1F)C2 ZINC001169143096 1022275199 /nfs/dbraw/zinc/27/51/99/1022275199.db2.gz XOLDUFAWGWFMGZ-BASYENTBSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1cc(F)ccc1F)C2 ZINC001169143096 1022275206 /nfs/dbraw/zinc/27/52/06/1022275206.db2.gz XOLDUFAWGWFMGZ-BASYENTBSA-N 2 2 306.400 3.727 20 0 DHADLP Cc1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c2c([nH+]1)CCCC2 ZINC001169145114 1022276724 /nfs/dbraw/zinc/27/67/24/1022276724.db2.gz SCAWQFGYBWOUTI-IFXJQAMLSA-N 2 2 316.493 3.619 20 0 DHADLP COc1c[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c2[nH]ccc21 ZINC001169140408 1022290434 /nfs/dbraw/zinc/29/04/34/1022290434.db2.gz FYJBOWDAKUUDQY-SGTLLEGYSA-N 2 2 316.449 3.527 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001169230396 1022310711 /nfs/dbraw/zinc/31/07/11/1022310711.db2.gz ATUVNGQDVIYGIH-UHFFFAOYSA-N 2 2 320.786 3.933 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2c(C)cc(Cl)cc2Cl)CC1 ZINC001169225400 1022311685 /nfs/dbraw/zinc/31/16/85/1022311685.db2.gz VEOIUYNHWLUPRU-UHFFFAOYSA-N 2 2 301.261 3.876 20 0 DHADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000267523606 1022313932 /nfs/dbraw/zinc/31/39/32/1022313932.db2.gz OMCFPEPIISEFSW-RHSMWYFYSA-N 2 2 315.486 3.594 20 0 DHADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000267523606 1022313946 /nfs/dbraw/zinc/31/39/46/1022313946.db2.gz OMCFPEPIISEFSW-RHSMWYFYSA-N 2 2 315.486 3.594 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000078704683 1022333086 /nfs/dbraw/zinc/33/30/86/1022333086.db2.gz LIHVPIDOVIAGQM-FUHWJXTLSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000078704683 1022333100 /nfs/dbraw/zinc/33/31/00/1022333100.db2.gz LIHVPIDOVIAGQM-FUHWJXTLSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000078704683 1022333120 /nfs/dbraw/zinc/33/31/20/1022333120.db2.gz LIHVPIDOVIAGQM-FUHWJXTLSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000078704683 1022333138 /nfs/dbraw/zinc/33/31/38/1022333138.db2.gz LIHVPIDOVIAGQM-FUHWJXTLSA-N 2 2 304.453 3.912 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CC[C@@](C)(c3ccccc3)C1)C2 ZINC000363862746 1022350558 /nfs/dbraw/zinc/35/05/58/1022350558.db2.gz ICNPOBXVBGWPMH-CMKODMSKSA-N 2 2 309.457 3.606 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000268796701 1022378311 /nfs/dbraw/zinc/37/83/11/1022378311.db2.gz GFCLSHCZBFJRDH-VXGBXAGGSA-N 2 2 313.323 3.521 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(OC(F)F)c1 ZINC000268799236 1022380446 /nfs/dbraw/zinc/38/04/46/1022380446.db2.gz XXQJXSQFXVNFQS-MAZHCROVSA-N 2 2 310.388 3.565 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(OC(F)F)c1 ZINC000268799236 1022380476 /nfs/dbraw/zinc/38/04/76/1022380476.db2.gz XXQJXSQFXVNFQS-MAZHCROVSA-N 2 2 310.388 3.565 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000660064170 1022407516 /nfs/dbraw/zinc/40/75/16/1022407516.db2.gz KNMQNSCYNSCSCX-UHFFFAOYSA-N 2 2 312.910 3.895 20 0 DHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2c(s1)CCCC2 ZINC000155844911 1022425460 /nfs/dbraw/zinc/42/54/60/1022425460.db2.gz QBZHQFKZCIVPDC-CQSZACIVSA-N 2 2 303.475 3.954 20 0 DHADLP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1(C)C ZINC000538394860 1033051213 /nfs/dbraw/zinc/05/12/13/1033051213.db2.gz RWNIWJTVLGWOSP-IAGOWNOFSA-N 2 2 319.493 3.703 20 0 DHADLP CC(C)c1csc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925562404 1022489776 /nfs/dbraw/zinc/48/97/76/1022489776.db2.gz WHOMNBXZYRHURS-LSDHHAIUSA-N 2 2 307.507 3.524 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cccc(F)c1F)CCC2 ZINC000368593427 1022636955 /nfs/dbraw/zinc/63/69/55/1022636955.db2.gz PPVKSLRCXSYAGS-STQMWFEESA-N 2 2 305.372 3.698 20 0 DHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000315626193 1022653854 /nfs/dbraw/zinc/65/38/54/1022653854.db2.gz UAAMSWXVVVDZMP-ZDUSSCGKSA-N 2 2 309.360 3.616 20 0 DHADLP CO[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)CC(C)C ZINC000417330424 1022688848 /nfs/dbraw/zinc/68/88/48/1022688848.db2.gz DPZBKDKDQMSBKO-YJBOKZPZSA-N 2 2 301.434 3.584 20 0 DHADLP CC[NH+](CC)CC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000584776962 1022731510 /nfs/dbraw/zinc/73/15/10/1022731510.db2.gz JDTMFUGBQOHQJL-UHFFFAOYSA-N 2 2 315.436 3.932 20 0 DHADLP Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000390252632 1022825271 /nfs/dbraw/zinc/82/52/71/1022825271.db2.gz MMJBGGNVMBYZNI-QWHCGFSZSA-N 2 2 310.401 3.889 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCSC[C@H]3C3CCC3)cc2)c[nH+]1 ZINC000418131531 1022966118 /nfs/dbraw/zinc/96/61/18/1022966118.db2.gz WQOTUUVAJPAEQO-SFHVURJKSA-N 2 2 313.470 3.590 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCSC[C@H]3C3CCC3)cc2)c[nH+]1 ZINC000418131531 1022966126 /nfs/dbraw/zinc/96/61/26/1022966126.db2.gz WQOTUUVAJPAEQO-SFHVURJKSA-N 2 2 313.470 3.590 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250524354 1023086110 /nfs/dbraw/zinc/08/61/10/1023086110.db2.gz FUVINPDYPJDAAV-OLZOCXBDSA-N 2 2 304.821 3.803 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250524354 1023086116 /nfs/dbraw/zinc/08/61/16/1023086116.db2.gz FUVINPDYPJDAAV-OLZOCXBDSA-N 2 2 304.821 3.803 20 0 DHADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000193460033 1023103909 /nfs/dbraw/zinc/10/39/09/1023103909.db2.gz OBRQNXCBUKMBOS-SFHVURJKSA-N 2 2 320.477 3.573 20 0 DHADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000193460033 1023103918 /nfs/dbraw/zinc/10/39/18/1023103918.db2.gz OBRQNXCBUKMBOS-SFHVURJKSA-N 2 2 320.477 3.573 20 0 DHADLP C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000769520781 1023174367 /nfs/dbraw/zinc/17/43/67/1023174367.db2.gz ZMSFLRKJAQXTKQ-CVEARBPZSA-N 2 2 306.413 3.549 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1N(C)C ZINC000769684365 1023188431 /nfs/dbraw/zinc/18/84/31/1023188431.db2.gz LVVXHXBWRMSIAZ-QAPCUYQASA-N 2 2 314.477 3.715 20 0 DHADLP Clc1nccc2oc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc21 ZINC000876650310 1033114054 /nfs/dbraw/zinc/11/40/54/1033114054.db2.gz AVQDDFCEMWFGKB-UHFFFAOYSA-N 2 2 316.792 3.515 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000769871762 1023236725 /nfs/dbraw/zinc/23/67/25/1023236725.db2.gz CLXGAYJZNRYQMG-ZDUSSCGKSA-N 2 2 310.401 3.582 20 0 DHADLP C[N@H+](CC1(C)CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000876648753 1033115737 /nfs/dbraw/zinc/11/57/37/1033115737.db2.gz DZPBUAXBSVGLOD-UHFFFAOYSA-N 2 2 315.505 3.601 20 0 DHADLP C[N@@H+](CC1(C)CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000876648753 1033115742 /nfs/dbraw/zinc/11/57/42/1033115742.db2.gz DZPBUAXBSVGLOD-UHFFFAOYSA-N 2 2 315.505 3.601 20 0 DHADLP Clc1nccc2oc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc21 ZINC000876681113 1033120930 /nfs/dbraw/zinc/12/09/30/1033120930.db2.gz XVWIENOEXIPEDX-GFCCVEGCSA-N 2 2 316.792 3.515 20 0 DHADLP Clc1nccc2oc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc21 ZINC000876681113 1033120936 /nfs/dbraw/zinc/12/09/36/1033120936.db2.gz XVWIENOEXIPEDX-GFCCVEGCSA-N 2 2 316.792 3.515 20 0 DHADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678084 1023375951 /nfs/dbraw/zinc/37/59/51/1023375951.db2.gz QKTBGEJSKJDUPO-UHFFFAOYSA-N 2 2 312.432 3.888 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651787554 1023544395 /nfs/dbraw/zinc/54/43/95/1023544395.db2.gz WWYLVNSWAMRKFH-UHFFFAOYSA-N 2 2 323.396 3.575 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3c1c(F)ccc3F)CCC2 ZINC000337705938 1033143733 /nfs/dbraw/zinc/14/37/33/1033143733.db2.gz JLQKZEBVYOXXJT-MLGOLLRUSA-N 2 2 317.383 3.624 20 0 DHADLP CCOCC[C@@H](C)[NH2+][C@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC001172416992 1033161045 /nfs/dbraw/zinc/16/10/45/1033161045.db2.gz PXJIONZXSQYEBN-LSTHTHJFSA-N 2 2 312.457 3.832 20 0 DHADLP COc1ccc([C@@H]([NH2+]CC2(C)CC(F)(F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000925735031 1023817507 /nfs/dbraw/zinc/81/75/07/1023817507.db2.gz XJYUMWXPDZGGLL-JKSUJKDBSA-N 2 2 324.415 3.513 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](Oc4ccccc4)C3)cc2)c[nH+]1 ZINC000662063016 1023880982 /nfs/dbraw/zinc/88/09/82/1023880982.db2.gz ABKNUBZHELBXSH-HXUWFJFHSA-N 2 2 319.408 3.526 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](Oc4ccccc4)C3)cc2)c[nH+]1 ZINC000662063016 1023880987 /nfs/dbraw/zinc/88/09/87/1023880987.db2.gz ABKNUBZHELBXSH-HXUWFJFHSA-N 2 2 319.408 3.526 20 0 DHADLP Cc1[nH+]c(N)ccc1CNc1cc[nH+]c(OCc2ccccc2)c1 ZINC001167786826 1023881048 /nfs/dbraw/zinc/88/10/48/1023881048.db2.gz WQPBVRBKNNLUHX-UHFFFAOYSA-N 2 2 320.396 3.558 20 0 DHADLP Clc1ccc2c(n1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000788638966 1023917659 /nfs/dbraw/zinc/91/76/59/1023917659.db2.gz KSTFLRPILWGXQI-MRXNPFEDSA-N 2 2 324.815 3.698 20 0 DHADLP COc1c(C)c[nH+]c(CNc2ccc(C[NH+](C)C)c(F)c2)c1C ZINC000876870187 1033173775 /nfs/dbraw/zinc/17/37/75/1033173775.db2.gz ZTAADQVSAALJAU-UHFFFAOYSA-N 2 2 317.408 3.520 20 0 DHADLP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C[NH3+])C1CC1 ZINC000662272235 1024048839 /nfs/dbraw/zinc/04/88/39/1024048839.db2.gz CUYUJOHRUISZJJ-ZDUSSCGKSA-N 2 2 306.759 3.528 20 0 DHADLP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C[NH3+])C1CC1 ZINC000662272235 1024048851 /nfs/dbraw/zinc/04/88/51/1024048851.db2.gz CUYUJOHRUISZJJ-ZDUSSCGKSA-N 2 2 306.759 3.528 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000062426841 1024090900 /nfs/dbraw/zinc/09/09/00/1024090900.db2.gz QPXQSNNNXYWEPW-CYBMUJFWSA-N 2 2 321.515 3.692 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000062426841 1024090909 /nfs/dbraw/zinc/09/09/09/1024090909.db2.gz QPXQSNNNXYWEPW-CYBMUJFWSA-N 2 2 321.515 3.692 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@H](C)C1 ZINC000268780821 1024157387 /nfs/dbraw/zinc/15/73/87/1024157387.db2.gz AIQQHCWMWPPZSI-DGCLKSJQSA-N 2 2 323.893 3.770 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@H](C)C1 ZINC000268780821 1024157390 /nfs/dbraw/zinc/15/73/90/1024157390.db2.gz AIQQHCWMWPPZSI-DGCLKSJQSA-N 2 2 323.893 3.770 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000268802832 1024165777 /nfs/dbraw/zinc/16/57/77/1024165777.db2.gz IBOFCMOWSGCZJZ-STQMWFEESA-N 2 2 307.825 3.675 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2cc(OC)ccc2c1 ZINC000538790724 1033190282 /nfs/dbraw/zinc/19/02/82/1033190282.db2.gz PCQCUWKEJSIJLO-UXHICEINSA-N 2 2 324.468 3.907 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2cc(OC)ccc2c1 ZINC000538790724 1033190290 /nfs/dbraw/zinc/19/02/90/1033190290.db2.gz PCQCUWKEJSIJLO-UXHICEINSA-N 2 2 324.468 3.907 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc(OC)ccc2c1 ZINC000538790724 1033190294 /nfs/dbraw/zinc/19/02/94/1033190294.db2.gz PCQCUWKEJSIJLO-UXHICEINSA-N 2 2 324.468 3.907 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2cc(OC)ccc2c1 ZINC000538790724 1033190306 /nfs/dbraw/zinc/19/03/06/1033190306.db2.gz PCQCUWKEJSIJLO-UXHICEINSA-N 2 2 324.468 3.907 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000268838148 1024173848 /nfs/dbraw/zinc/17/38/48/1024173848.db2.gz YVSAYAXTNNBWQQ-PWSUYJOCSA-N 2 2 309.866 3.522 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)CC[N@H+]1C ZINC000268838148 1024173851 /nfs/dbraw/zinc/17/38/51/1024173851.db2.gz YVSAYAXTNNBWQQ-PWSUYJOCSA-N 2 2 309.866 3.522 20 0 DHADLP CCC[NH+]1CCC(Nc2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000663349120 1024184864 /nfs/dbraw/zinc/18/48/64/1024184864.db2.gz FMOVMPCKWKJWQE-UHFFFAOYSA-N 2 2 301.356 3.695 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883072833 1024232252 /nfs/dbraw/zinc/23/22/52/1024232252.db2.gz AFCRQTDMELTJBP-PDOICOKGSA-N 2 2 313.489 3.775 20 0 DHADLP COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319635901 1024373720 /nfs/dbraw/zinc/37/37/20/1024373720.db2.gz BMGMSIUOKIAAPX-QAPCUYQASA-N 2 2 315.461 3.966 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1Cl ZINC000663465739 1024402664 /nfs/dbraw/zinc/40/26/64/1024402664.db2.gz KZVDLNPOCFJFKM-ZFWWWQNUSA-N 2 2 307.869 3.508 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccncc1Cl ZINC000663465739 1024402668 /nfs/dbraw/zinc/40/26/68/1024402668.db2.gz KZVDLNPOCFJFKM-ZFWWWQNUSA-N 2 2 307.869 3.508 20 0 DHADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000270607410 1024407940 /nfs/dbraw/zinc/40/79/40/1024407940.db2.gz BXQWXCFPLBTJNH-FUHWJXTLSA-N 2 2 313.445 3.556 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000270646845 1024412623 /nfs/dbraw/zinc/41/26/23/1024412623.db2.gz KTGCPPQGIRYACH-MRXNPFEDSA-N 2 2 321.877 3.635 20 0 DHADLP c1cn(C[C@H]([NH2+][C@@H]2CCc3ccccc32)c2ccccc2)c[nH+]1 ZINC000883387159 1024420009 /nfs/dbraw/zinc/42/00/09/1024420009.db2.gz SKVYISMISRCBBK-UXHICEINSA-N 2 2 303.409 3.902 20 0 DHADLP Cc1ncc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883386936 1024420533 /nfs/dbraw/zinc/42/05/33/1024420533.db2.gz OWKCSMRMPGCUCY-CJNGLKHVSA-N 2 2 312.442 3.740 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000883388383 1024422737 /nfs/dbraw/zinc/42/27/37/1024422737.db2.gz UDQKEYKIOVQXIX-FUHWJXTLSA-N 2 2 313.445 3.562 20 0 DHADLP c1cn(C[C@@H]([NH2+]Cc2cnc(C3CC3)s2)c2ccccc2)c[nH+]1 ZINC000883396992 1024426796 /nfs/dbraw/zinc/42/67/96/1024426796.db2.gz BANMEXCLGKZPKN-QGZVFWFLSA-N 2 2 324.453 3.748 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Br)s2)c2ccccc21 ZINC000132026833 1024447003 /nfs/dbraw/zinc/44/70/03/1024447003.db2.gz TYINBOUMSHXFDK-STQMWFEESA-N 2 2 323.259 3.745 20 0 DHADLP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000271050208 1024450282 /nfs/dbraw/zinc/45/02/82/1024450282.db2.gz VETTZQSCUBAOCS-UHFFFAOYSA-N 2 2 324.472 3.527 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000271497481 1024523191 /nfs/dbraw/zinc/52/31/91/1024523191.db2.gz LLIFCFGDHMPBFS-UGSOOPFHSA-N 2 2 321.428 3.632 20 0 DHADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000643526840 1024527687 /nfs/dbraw/zinc/52/76/87/1024527687.db2.gz AIORYDICWZBQQA-YUMQZZPRSA-N 2 2 314.273 3.722 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C(C)(C)C[NH+](C)C ZINC000453601527 1024548823 /nfs/dbraw/zinc/54/88/23/1024548823.db2.gz DPVXIONWDSTVCN-RAXLEYEMSA-N 2 2 312.404 3.621 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348245788 1024552790 /nfs/dbraw/zinc/55/27/90/1024552790.db2.gz PLFGJXLRFPQCGX-CJNGLKHVSA-N 2 2 323.362 3.953 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348245788 1024552796 /nfs/dbraw/zinc/55/27/96/1024552796.db2.gz PLFGJXLRFPQCGX-CJNGLKHVSA-N 2 2 323.362 3.953 20 0 DHADLP C[NH+](C)[C@@]1(C[NH2+][C@H](CC2CC2)c2ccccc2)CCSC1 ZINC000532248527 1024584579 /nfs/dbraw/zinc/58/45/79/1024584579.db2.gz VYZHBVKGVXSDPL-QZTJIDSGSA-N 2 2 304.503 3.555 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532300956 1024599837 /nfs/dbraw/zinc/59/98/37/1024599837.db2.gz SABJOCMRNVLWEQ-JXFKEZNVSA-N 2 2 324.468 3.935 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532300956 1024599844 /nfs/dbraw/zinc/59/98/44/1024599844.db2.gz SABJOCMRNVLWEQ-JXFKEZNVSA-N 2 2 324.468 3.935 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532300957 1024600614 /nfs/dbraw/zinc/60/06/14/1024600614.db2.gz SABJOCMRNVLWEQ-OXJNMPFZSA-N 2 2 324.468 3.935 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532300957 1024600618 /nfs/dbraw/zinc/60/06/18/1024600618.db2.gz SABJOCMRNVLWEQ-OXJNMPFZSA-N 2 2 324.468 3.935 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC001170181614 1024683619 /nfs/dbraw/zinc/68/36/19/1024683619.db2.gz JSYYNJRCZPQJFF-JSXRDJHFSA-N 2 2 324.468 3.975 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccc(C)o2)s1 ZINC000349382516 1024711170 /nfs/dbraw/zinc/71/11/70/1024711170.db2.gz JLLKHUJOWFNWDT-UHFFFAOYSA-N 2 2 321.490 3.875 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccc(C)o2)s1 ZINC000349382516 1024711185 /nfs/dbraw/zinc/71/11/85/1024711185.db2.gz JLLKHUJOWFNWDT-UHFFFAOYSA-N 2 2 321.490 3.875 20 0 DHADLP CC[C@H]1C[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCO1 ZINC000349422287 1024717808 /nfs/dbraw/zinc/71/78/08/1024717808.db2.gz USWBYMIMNMJKIN-MOPGFXCFSA-N 2 2 319.493 3.581 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001170288349 1024737271 /nfs/dbraw/zinc/73/72/71/1024737271.db2.gz NSZSIMNGSIXTGQ-CQSZACIVSA-N 2 2 303.837 3.805 20 0 DHADLP COc1cccc2cc(C[NH2+]C3CC([NH+]4CCCCC4)C3)oc21 ZINC000793335028 1024994139 /nfs/dbraw/zinc/99/41/39/1024994139.db2.gz BBQJBTDGWRACCV-UHFFFAOYSA-N 2 2 314.429 3.548 20 0 DHADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000320161254 1025010299 /nfs/dbraw/zinc/01/02/99/1025010299.db2.gz MWFUWIXPIKJZHG-OAHLLOKOSA-N 2 2 302.462 3.751 20 0 DHADLP CCCCc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000321664226 1025117749 /nfs/dbraw/zinc/11/77/49/1025117749.db2.gz RGVRCGXNSVZKLH-PWIZWCRZSA-N 2 2 316.489 3.543 20 0 DHADLP CCCCc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000321664226 1025117753 /nfs/dbraw/zinc/11/77/53/1025117753.db2.gz RGVRCGXNSVZKLH-PWIZWCRZSA-N 2 2 316.489 3.543 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000353559055 1025128514 /nfs/dbraw/zinc/12/85/14/1025128514.db2.gz KNDLCPGHNDKTIQ-KXBFYZLASA-N 2 2 322.456 3.677 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000353559055 1025128523 /nfs/dbraw/zinc/12/85/23/1025128523.db2.gz KNDLCPGHNDKTIQ-KXBFYZLASA-N 2 2 322.456 3.677 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172566823 1033260859 /nfs/dbraw/zinc/26/08/59/1033260859.db2.gz ZOCKOPFXYQQKPD-LBPRGKRZSA-N 2 2 318.839 3.871 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1OC(F)F ZINC000122855466 1025215451 /nfs/dbraw/zinc/21/54/51/1025215451.db2.gz AZDUQDPDAIXXRJ-LBPRGKRZSA-N 2 2 310.388 3.565 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(F)F)C[C@H]1C ZINC000353753700 1025239017 /nfs/dbraw/zinc/23/90/17/1025239017.db2.gz XTBKAAZRBTZJAG-HIFRSBDPSA-N 2 2 312.404 3.593 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(F)F)C[C@H]1C ZINC000353753700 1025239026 /nfs/dbraw/zinc/23/90/26/1025239026.db2.gz XTBKAAZRBTZJAG-HIFRSBDPSA-N 2 2 312.404 3.593 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OC(F)F)C[C@H]1C ZINC000353753700 1025239036 /nfs/dbraw/zinc/23/90/36/1025239036.db2.gz XTBKAAZRBTZJAG-HIFRSBDPSA-N 2 2 312.404 3.593 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OC(F)F)C[C@H]1C ZINC000353753700 1025239040 /nfs/dbraw/zinc/23/90/40/1025239040.db2.gz XTBKAAZRBTZJAG-HIFRSBDPSA-N 2 2 312.404 3.593 20 0 DHADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000353994625 1025314080 /nfs/dbraw/zinc/31/40/80/1025314080.db2.gz CIDIVTWXCFESJD-APWZRJJASA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000353994625 1025314082 /nfs/dbraw/zinc/31/40/82/1025314082.db2.gz CIDIVTWXCFESJD-APWZRJJASA-N 2 2 302.462 3.537 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cscc2C(F)(F)F)CC[N@@H+]1C ZINC000356128211 1025336153 /nfs/dbraw/zinc/33/61/53/1025336153.db2.gz YLBWDRTYHGNCPT-ZYHUDNBSSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cscc2C(F)(F)F)CC[N@H+]1C ZINC000356128211 1025336168 /nfs/dbraw/zinc/33/61/68/1025336168.db2.gz YLBWDRTYHGNCPT-ZYHUDNBSSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cscc2C(F)(F)F)CC[NH+]1C ZINC000356128211 1025336178 /nfs/dbraw/zinc/33/61/78/1025336178.db2.gz YLBWDRTYHGNCPT-ZYHUDNBSSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cscc2C(F)(F)F)CC[NH+]1C ZINC000356128211 1025336188 /nfs/dbraw/zinc/33/61/88/1025336188.db2.gz YLBWDRTYHGNCPT-ZYHUDNBSSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123823037 1025400277 /nfs/dbraw/zinc/40/02/77/1025400277.db2.gz DLEZFPQCOFWBIW-HUUCEWRRSA-N 2 2 301.409 3.575 20 0 DHADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123823037 1025400284 /nfs/dbraw/zinc/40/02/84/1025400284.db2.gz DLEZFPQCOFWBIW-HUUCEWRRSA-N 2 2 301.409 3.575 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000885935912 1025410773 /nfs/dbraw/zinc/41/07/73/1025410773.db2.gz VUSSGZVKWXAILN-IAGOWNOFSA-N 2 2 319.493 3.769 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000885951442 1025416921 /nfs/dbraw/zinc/41/69/21/1025416921.db2.gz IOYZMNNVDOQBQM-ZWKOTPCHSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000885951440 1025418028 /nfs/dbraw/zinc/41/80/28/1025418028.db2.gz IOYZMNNVDOQBQM-QZTJIDSGSA-N 2 2 308.510 3.578 20 0 DHADLP c1ccc(NCCCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)[nH+]c1 ZINC000885967065 1025421842 /nfs/dbraw/zinc/42/18/42/1025421842.db2.gz GVCFSNSQAFJCEH-QGZVFWFLSA-N 2 2 317.477 3.745 20 0 DHADLP CCc1cccc(F)c1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000354482273 1025442674 /nfs/dbraw/zinc/44/26/74/1025442674.db2.gz UDIUZMSBMGJGQP-HNNXBMFYSA-N 2 2 301.409 3.560 20 0 DHADLP CCc1cccc(F)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000354652296 1025476255 /nfs/dbraw/zinc/47/62/55/1025476255.db2.gz QDMOKWTTZXAPHU-OAHLLOKOSA-N 2 2 315.436 3.576 20 0 DHADLP CCc1cccc(F)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000354652296 1025476265 /nfs/dbraw/zinc/47/62/65/1025476265.db2.gz QDMOKWTTZXAPHU-OAHLLOKOSA-N 2 2 315.436 3.576 20 0 DHADLP C[C@@H](CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)OCc1ccccc1 ZINC000354699186 1025482211 /nfs/dbraw/zinc/48/22/11/1025482211.db2.gz FMZLXCZMDKKVPM-WMZOPIPTSA-N 2 2 313.445 3.585 20 0 DHADLP C[C@@H](CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)OCc1ccccc1 ZINC000354699186 1025482220 /nfs/dbraw/zinc/48/22/20/1025482220.db2.gz FMZLXCZMDKKVPM-WMZOPIPTSA-N 2 2 313.445 3.585 20 0 DHADLP Fc1ccc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)c(F)c1 ZINC000245614110 1025518673 /nfs/dbraw/zinc/51/86/73/1025518673.db2.gz XBZOQBNHTSSCRE-CABCVRRESA-N 2 2 306.400 3.560 20 0 DHADLP Fc1ccc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)c(F)c1 ZINC000245614110 1025518677 /nfs/dbraw/zinc/51/86/77/1025518677.db2.gz XBZOQBNHTSSCRE-CABCVRRESA-N 2 2 306.400 3.560 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001207726930 1025527501 /nfs/dbraw/zinc/52/75/01/1025527501.db2.gz BPCKOSOHOPJBCV-QWHCGFSZSA-N 2 2 300.899 3.797 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001207726930 1025527512 /nfs/dbraw/zinc/52/75/12/1025527512.db2.gz BPCKOSOHOPJBCV-QWHCGFSZSA-N 2 2 300.899 3.797 20 0 DHADLP Oc1cccc2sc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc21 ZINC000893981911 1025637426 /nfs/dbraw/zinc/63/74/26/1025637426.db2.gz XWXYAHXHSFBIHK-UHFFFAOYSA-N 2 2 313.426 3.710 20 0 DHADLP Fc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000886612133 1025734829 /nfs/dbraw/zinc/73/48/29/1025734829.db2.gz CTIJQUBPYKWALV-YVEFUNNKSA-N 2 2 324.403 3.555 20 0 DHADLP c1cc2cccc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)c2[nH]1 ZINC000236768330 1025989121 /nfs/dbraw/zinc/98/91/21/1025989121.db2.gz KMCRGSMOPFIIPX-UHFFFAOYSA-N 2 2 316.408 3.703 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[N@@H+]1C ZINC000356291929 1026012693 /nfs/dbraw/zinc/01/26/93/1026012693.db2.gz WMUFBUKARLVIIS-CABCVRRESA-N 2 2 321.896 3.513 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[N@H+]1C ZINC000356291929 1026012715 /nfs/dbraw/zinc/01/27/15/1026012715.db2.gz WMUFBUKARLVIIS-CABCVRRESA-N 2 2 321.896 3.513 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1nc2c(s1)CCCC2 ZINC000245538932 1026063925 /nfs/dbraw/zinc/06/39/25/1026063925.db2.gz NKOYJNOFIIRDAC-LSDHHAIUSA-N 2 2 321.534 3.937 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1nc2c(s1)CCCC2 ZINC000245538932 1026063942 /nfs/dbraw/zinc/06/39/42/1026063942.db2.gz NKOYJNOFIIRDAC-LSDHHAIUSA-N 2 2 321.534 3.937 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]2CCCC[C@H]12 ZINC000809549138 1026556520 /nfs/dbraw/zinc/55/65/20/1026556520.db2.gz NNMBUCMFTLQKQU-FVQBIDKESA-N 2 2 307.507 3.605 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]2CCCC[C@H]12 ZINC000809549138 1026556529 /nfs/dbraw/zinc/55/65/29/1026556529.db2.gz NNMBUCMFTLQKQU-FVQBIDKESA-N 2 2 307.507 3.605 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]2CCCC[C@H]12 ZINC000809549130 1026558124 /nfs/dbraw/zinc/55/81/24/1026558124.db2.gz NNMBUCMFTLQKQU-BMFZPTHFSA-N 2 2 307.507 3.605 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@H]2CCCC[C@H]12 ZINC000809549130 1026558128 /nfs/dbraw/zinc/55/81/28/1026558128.db2.gz NNMBUCMFTLQKQU-BMFZPTHFSA-N 2 2 307.507 3.605 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(C3CCCC3)CC2)s1 ZINC000809586832 1026567285 /nfs/dbraw/zinc/56/72/85/1026567285.db2.gz YWHKPGTVLXNPMX-UHFFFAOYSA-N 2 2 307.507 3.607 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)CC[N@@H+]1C ZINC000280191909 1026606649 /nfs/dbraw/zinc/60/66/49/1026606649.db2.gz UXWUPHDTRFFMMI-XJKSGUPXSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)CC[N@H+]1C ZINC000280191909 1026606652 /nfs/dbraw/zinc/60/66/52/1026606652.db2.gz UXWUPHDTRFFMMI-XJKSGUPXSA-N 2 2 302.393 3.658 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2F)cc1 ZINC000809738806 1026611458 /nfs/dbraw/zinc/61/14/58/1026611458.db2.gz KOUQEELUKZKTIO-UHFFFAOYSA-N 2 2 322.374 3.798 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2F)cc1 ZINC000809738806 1026611460 /nfs/dbraw/zinc/61/14/60/1026611460.db2.gz KOUQEELUKZKTIO-UHFFFAOYSA-N 2 2 322.374 3.798 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2csc(C3CC3)n2)cc1 ZINC000809737931 1026611688 /nfs/dbraw/zinc/61/16/88/1026611688.db2.gz MOHJIYNSYDZEML-UHFFFAOYSA-N 2 2 315.486 3.714 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2csc(C3CC3)n2)cc1 ZINC000809737931 1026611689 /nfs/dbraw/zinc/61/16/89/1026611689.db2.gz MOHJIYNSYDZEML-UHFFFAOYSA-N 2 2 315.486 3.714 20 0 DHADLP C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809782880 1026624085 /nfs/dbraw/zinc/62/40/85/1026624085.db2.gz JZLAUSDOCUZXIY-UONOGXRCSA-N 2 2 309.523 3.851 20 0 DHADLP C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809782880 1026624086 /nfs/dbraw/zinc/62/40/86/1026624086.db2.gz JZLAUSDOCUZXIY-UONOGXRCSA-N 2 2 309.523 3.851 20 0 DHADLP C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809782881 1026624684 /nfs/dbraw/zinc/62/46/84/1026624684.db2.gz JZLAUSDOCUZXIY-ZIAGYGMSSA-N 2 2 309.523 3.851 20 0 DHADLP C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809782881 1026624691 /nfs/dbraw/zinc/62/46/91/1026624691.db2.gz JZLAUSDOCUZXIY-ZIAGYGMSSA-N 2 2 309.523 3.851 20 0 DHADLP [NH3+]CCC[N@@H+](Cc1nc(C(F)(F)F)cs1)CC1CCCC1 ZINC000420309353 1026801324 /nfs/dbraw/zinc/80/13/24/1026801324.db2.gz FEJROFCFXXZDLF-UHFFFAOYSA-N 2 2 321.412 3.503 20 0 DHADLP [NH3+]CCC[N@H+](Cc1nc(C(F)(F)F)cs1)CC1CCCC1 ZINC000420309353 1026801335 /nfs/dbraw/zinc/80/13/35/1026801335.db2.gz FEJROFCFXXZDLF-UHFFFAOYSA-N 2 2 321.412 3.503 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cnn(C2CCC2)c1 ZINC000924924888 1026836698 /nfs/dbraw/zinc/83/66/98/1026836698.db2.gz CMOKUHUZIJOXQY-OAHLLOKOSA-N 2 2 313.449 3.546 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421336567 1026961327 /nfs/dbraw/zinc/96/13/27/1026961327.db2.gz AMEZILGUJFKTKW-QGZVFWFLSA-N 2 2 309.457 3.752 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC000421336567 1026961336 /nfs/dbraw/zinc/96/13/36/1026961336.db2.gz AMEZILGUJFKTKW-QGZVFWFLSA-N 2 2 309.457 3.752 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421362554 1026963150 /nfs/dbraw/zinc/96/31/50/1026963150.db2.gz JKZZMDRDJWGVLZ-UHFFFAOYSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@H](C[NH2+]Cc1ccnc(Cl)c1Cl)C[NH+]1CCCCC1 ZINC000811474943 1027015806 /nfs/dbraw/zinc/01/58/06/1027015806.db2.gz UIMSNCCYQVDARG-GFCCVEGCSA-N 2 2 316.276 3.600 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000571328660 1027119658 /nfs/dbraw/zinc/11/96/58/1027119658.db2.gz PYENTLNEGZLVMI-NSHDSACASA-N 2 2 319.251 3.952 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000571328660 1027119663 /nfs/dbraw/zinc/11/96/63/1027119663.db2.gz PYENTLNEGZLVMI-NSHDSACASA-N 2 2 319.251 3.952 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC000362294009 1027132440 /nfs/dbraw/zinc/13/24/40/1027132440.db2.gz QKLKQSAHTGCNEJ-AEFFLSMTSA-N 2 2 315.848 3.901 20 0 DHADLP CCOc1ccc(C[N@H+](CCCF)CCCn2cc[nH+]c2)cc1 ZINC000271748060 1027132995 /nfs/dbraw/zinc/13/29/95/1027132995.db2.gz XZXPDLGDIOHEHJ-UHFFFAOYSA-N 2 2 319.424 3.534 20 0 DHADLP CCOc1ccc(C[N@@H+](CCCF)CCCn2cc[nH+]c2)cc1 ZINC000271748060 1027133010 /nfs/dbraw/zinc/13/30/10/1027133010.db2.gz XZXPDLGDIOHEHJ-UHFFFAOYSA-N 2 2 319.424 3.534 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCSC2)C[N@H+](Cc2ccccc2)C1 ZINC000561981893 1027156149 /nfs/dbraw/zinc/15/61/49/1027156149.db2.gz APLXDTSHJLQQGD-NZSAHSFTSA-N 2 2 318.530 3.630 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCSC2)C[N@@H+](Cc2ccccc2)C1 ZINC000561981893 1027156158 /nfs/dbraw/zinc/15/61/58/1027156158.db2.gz APLXDTSHJLQQGD-NZSAHSFTSA-N 2 2 318.530 3.630 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2)s1 ZINC000561981121 1027156582 /nfs/dbraw/zinc/15/65/82/1027156582.db2.gz XHSWAIHZKXZVBK-UHFFFAOYSA-N 2 2 303.475 3.584 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2)s1 ZINC000561981121 1027156586 /nfs/dbraw/zinc/15/65/86/1027156586.db2.gz XHSWAIHZKXZVBK-UHFFFAOYSA-N 2 2 303.475 3.584 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CO2 ZINC000573113025 1027262383 /nfs/dbraw/zinc/26/23/83/1027262383.db2.gz WYRPCNALAVTWTQ-DFQSSKMNSA-N 2 2 322.452 3.854 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)CO2 ZINC000573113025 1027262397 /nfs/dbraw/zinc/26/23/97/1027262397.db2.gz WYRPCNALAVTWTQ-DFQSSKMNSA-N 2 2 322.452 3.854 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422562239 1027284544 /nfs/dbraw/zinc/28/45/44/1027284544.db2.gz POVJDNBQZZWUKK-UHFFFAOYSA-N 2 2 322.452 3.690 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@H](C[NH+]4CCCC4)C3)[nH+]c2c1 ZINC000573426730 1027294863 /nfs/dbraw/zinc/29/48/63/1027294863.db2.gz XXZGEMFAEDPULI-QGZVFWFLSA-N 2 2 309.457 3.774 20 0 DHADLP C[C@@H](C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)[NH+](C)C ZINC000924957094 1027296908 /nfs/dbraw/zinc/29/69/08/1027296908.db2.gz KCQYDZQAQKKSAF-VIFPVBQESA-N 2 2 308.310 3.580 20 0 DHADLP CSc1ccc(F)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422812823 1027330132 /nfs/dbraw/zinc/33/01/32/1027330132.db2.gz WZSWEBVENKDAFP-GUYCJALGSA-N 2 2 318.461 3.596 20 0 DHADLP CSc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422814152 1027331939 /nfs/dbraw/zinc/33/19/39/1027331939.db2.gz ZTXWXOIMCJSODH-HZPDHXFCSA-N 2 2 302.418 3.782 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(COCc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000422853715 1027344407 /nfs/dbraw/zinc/34/44/07/1027344407.db2.gz CDRGQSWIWMMUND-DYESRHJHSA-N 2 2 324.468 3.634 20 0 DHADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422884281 1027350305 /nfs/dbraw/zinc/35/03/05/1027350305.db2.gz DRBNGEMHSRHIKT-GDZNZVCISA-N 2 2 303.837 3.540 20 0 DHADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422870363 1027354195 /nfs/dbraw/zinc/35/41/95/1027354195.db2.gz YQDMFGZVVGJHJA-STQMWFEESA-N 2 2 313.426 3.526 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422941911 1027370225 /nfs/dbraw/zinc/37/02/25/1027370225.db2.gz VZMASIYOVINNPE-HEHGZKQESA-N 2 2 315.486 3.910 20 0 DHADLP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423123084 1027422286 /nfs/dbraw/zinc/42/22/86/1027422286.db2.gz LYWNWGDLOUKSEK-VNQPRFMTSA-N 2 2 314.395 3.528 20 0 DHADLP CSc1cccc(F)c1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423109864 1027429437 /nfs/dbraw/zinc/42/94/37/1027429437.db2.gz TVLGPMSMOLTDAQ-SUMWQHHRSA-N 2 2 318.461 3.596 20 0 DHADLP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(F)ccc1F ZINC000423181894 1027446554 /nfs/dbraw/zinc/44/65/54/1027446554.db2.gz DHAYISVJWNPWQL-GOSISDBHSA-N 2 2 319.399 3.580 20 0 DHADLP Fc1ccc2cc(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)[nH]c2c1 ZINC000362931326 1027451170 /nfs/dbraw/zinc/45/11/70/1027451170.db2.gz QHUPPEVPUMPHOT-UHFFFAOYSA-N 2 2 320.371 3.783 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423216291 1027459685 /nfs/dbraw/zinc/45/96/85/1027459685.db2.gz OIXLZIRDISCSEJ-DZKIICNBSA-N 2 2 315.486 3.849 20 0 DHADLP [NH3+][C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)c1ccccc1 ZINC000423240749 1027472300 /nfs/dbraw/zinc/47/23/00/1027472300.db2.gz CUEWKPKEVVYBGY-KVZIAJEVSA-N 2 2 302.462 3.546 20 0 DHADLP CC(C)([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423286243 1027481319 /nfs/dbraw/zinc/48/13/19/1027481319.db2.gz GFXJEIGJLNBVIQ-INIZCTEOSA-N 2 2 320.383 3.704 20 0 DHADLP Fc1ccc(C2CC2)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000562522812 1027482808 /nfs/dbraw/zinc/48/28/08/1027482808.db2.gz DDRWGNFSPJHVTO-UHFFFAOYSA-N 2 2 302.437 3.667 20 0 DHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295915096 1027488996 /nfs/dbraw/zinc/48/89/96/1027488996.db2.gz JMIQLCBEADNWAZ-JZIBPQBNSA-N 2 2 308.853 3.624 20 0 DHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295915096 1027489007 /nfs/dbraw/zinc/48/90/07/1027489007.db2.gz JMIQLCBEADNWAZ-JZIBPQBNSA-N 2 2 308.853 3.624 20 0 DHADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423319627 1027500018 /nfs/dbraw/zinc/50/00/18/1027500018.db2.gz LTVTYGKQMFRWGN-TVQRCGJNSA-N 2 2 323.234 3.583 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCCSC1 ZINC000296045092 1027525884 /nfs/dbraw/zinc/52/58/84/1027525884.db2.gz OFXQCCHMMBVSTR-GFCCVEGCSA-N 2 2 307.850 3.511 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000423385572 1027530310 /nfs/dbraw/zinc/53/03/10/1027530310.db2.gz RCDHWKWLYIQHLN-UMVBOHGHSA-N 2 2 301.459 3.601 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423508928 1027568648 /nfs/dbraw/zinc/56/86/48/1027568648.db2.gz RFVJYCIQFASHFI-WOJBJXKFSA-N 2 2 310.441 3.622 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000423506288 1027568730 /nfs/dbraw/zinc/56/87/30/1027568730.db2.gz PBPHUXDYEYYZJY-UGSOOPFHSA-N 2 2 316.420 3.747 20 0 DHADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423482069 1027572080 /nfs/dbraw/zinc/57/20/80/1027572080.db2.gz XDIFGJWDSCDVFC-WCQYABFASA-N 2 2 308.372 3.829 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423515958 1027576971 /nfs/dbraw/zinc/57/69/71/1027576971.db2.gz XRQHHDJKPAARKI-PMACEKPBSA-N 2 2 309.457 3.775 20 0 DHADLP CC[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CCOCC1 ZINC000576184248 1027578106 /nfs/dbraw/zinc/57/81/06/1027578106.db2.gz FBXYZQASPVXRPO-IBGZPJMESA-N 2 2 322.537 3.828 20 0 DHADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)sc1Br ZINC000423572774 1027589019 /nfs/dbraw/zinc/58/90/19/1027589019.db2.gz YRRJYYOKZSKOMB-MNOVXSKESA-N 2 2 317.296 3.612 20 0 DHADLP CC[N@@H+](Cc1ccnc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000527533582 1027736497 /nfs/dbraw/zinc/73/64/97/1027736497.db2.gz IHGKSMBLCMBQJS-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP CC[N@H+](Cc1ccnc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000527533582 1027736516 /nfs/dbraw/zinc/73/65/16/1027736516.db2.gz IHGKSMBLCMBQJS-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccccc1-c1ccccc1)CC2 ZINC000778189046 1027810315 /nfs/dbraw/zinc/81/03/15/1027810315.db2.gz MFHBGOGAPDXVQR-SFHVURJKSA-N 2 2 303.409 3.655 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccccc1-c1ccccc1)CC2 ZINC000778189038 1027811565 /nfs/dbraw/zinc/81/15/65/1027811565.db2.gz MFHBGOGAPDXVQR-GOSISDBHSA-N 2 2 303.409 3.655 20 0 DHADLP Fc1cc2c(cc1Cl)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000527853515 1027919413 /nfs/dbraw/zinc/91/94/13/1027919413.db2.gz QOIAOWMVYAPDLC-INIZCTEOSA-N 2 2 307.800 3.733 20 0 DHADLP c1cn(CCC[NH+]2CCC(c3cccc4cnccc43)CC2)c[nH+]1 ZINC000365436416 1027945630 /nfs/dbraw/zinc/94/56/30/1027945630.db2.gz ZMWCDSHFWPTFTD-UHFFFAOYSA-N 2 2 320.440 3.701 20 0 DHADLP CC1(C)CCC[C@@H]1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000527919507 1027969505 /nfs/dbraw/zinc/96/95/05/1027969505.db2.gz RTZIRYIIGONLBP-MRXNPFEDSA-N 2 2 301.478 3.856 20 0 DHADLP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cccnc1 ZINC000527952497 1027986782 /nfs/dbraw/zinc/98/67/82/1027986782.db2.gz UCYJCOZAQOCUFS-RTBURBONSA-N 2 2 301.478 3.919 20 0 DHADLP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cccnc1 ZINC000527952497 1027986797 /nfs/dbraw/zinc/98/67/97/1027986797.db2.gz UCYJCOZAQOCUFS-RTBURBONSA-N 2 2 301.478 3.919 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(C)c1 ZINC000528005182 1028030808 /nfs/dbraw/zinc/03/08/08/1028030808.db2.gz YNPHUZLPNHJSHY-WBVHZDCISA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(C)c1 ZINC000528005182 1028030825 /nfs/dbraw/zinc/03/08/25/1028030825.db2.gz YNPHUZLPNHJSHY-WBVHZDCISA-N 2 2 302.462 3.671 20 0 DHADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000366216718 1028064123 /nfs/dbraw/zinc/06/41/23/1028064123.db2.gz ARNJKXBRHRJOAN-DOTOQJQBSA-N 2 2 313.445 3.646 20 0 DHADLP C[C@H]1CC(C[NH2+]C2CC[NH+](Cc3cccs3)CC2)C[C@H](C)O1 ZINC000367185539 1028144360 /nfs/dbraw/zinc/14/43/60/1028144360.db2.gz JFASJUOLPQAWBS-GJZGRUSLSA-N 2 2 322.518 3.506 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470853 1028158253 /nfs/dbraw/zinc/15/82/53/1028158253.db2.gz VRETUOYLJHZDOR-WFASDCNBSA-N 2 2 306.837 3.858 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470853 1028158260 /nfs/dbraw/zinc/15/82/60/1028158260.db2.gz VRETUOYLJHZDOR-WFASDCNBSA-N 2 2 306.837 3.858 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470853 1028158266 /nfs/dbraw/zinc/15/82/66/1028158266.db2.gz VRETUOYLJHZDOR-WFASDCNBSA-N 2 2 306.837 3.858 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470853 1028158274 /nfs/dbraw/zinc/15/82/74/1028158274.db2.gz VRETUOYLJHZDOR-WFASDCNBSA-N 2 2 306.837 3.858 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000367320024 1028165222 /nfs/dbraw/zinc/16/52/22/1028165222.db2.gz ZTGVJJLTKKAKQL-OAHLLOKOSA-N 2 2 309.413 3.621 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000367320024 1028165231 /nfs/dbraw/zinc/16/52/31/1028165231.db2.gz ZTGVJJLTKKAKQL-OAHLLOKOSA-N 2 2 309.413 3.621 20 0 DHADLP Cc1ccoc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578532082 1028175667 /nfs/dbraw/zinc/17/56/67/1028175667.db2.gz ZEXCAFBADGBGKP-SFHVURJKSA-N 2 2 310.441 3.875 20 0 DHADLP Cc1ccoc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578532082 1028175676 /nfs/dbraw/zinc/17/56/76/1028175676.db2.gz ZEXCAFBADGBGKP-SFHVURJKSA-N 2 2 310.441 3.875 20 0 DHADLP FCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000367601581 1028216863 /nfs/dbraw/zinc/21/68/63/1028216863.db2.gz ONEZPNGLLUDSMS-DOTOQJQBSA-N 2 2 310.482 3.830 20 0 DHADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc2ccccc21 ZINC000449018852 1028249811 /nfs/dbraw/zinc/24/98/11/1028249811.db2.gz URYDBMNVTHKSKT-QGZVFWFLSA-N 2 2 321.424 3.951 20 0 DHADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc2ccccc21 ZINC000449018852 1028249821 /nfs/dbraw/zinc/24/98/21/1028249821.db2.gz URYDBMNVTHKSKT-QGZVFWFLSA-N 2 2 321.424 3.951 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC3(CCCC3)Oc3ccccc31)C2 ZINC000367999654 1028271810 /nfs/dbraw/zinc/27/18/10/1028271810.db2.gz XCDYYWXEUQPQNI-KDOFPFPSSA-N 2 2 323.440 3.693 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000368014162 1028277131 /nfs/dbraw/zinc/27/71/31/1028277131.db2.gz DSUBKUPQWZYXFO-NSHDSACASA-N 2 2 310.228 3.716 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000368014162 1028277146 /nfs/dbraw/zinc/27/71/46/1028277146.db2.gz DSUBKUPQWZYXFO-NSHDSACASA-N 2 2 310.228 3.716 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(SC(F)F)cc1 ZINC000368101981 1028299008 /nfs/dbraw/zinc/29/90/08/1028299008.db2.gz MDKWQLDZMCGFIW-CMPLNLGQSA-N 2 2 323.412 3.933 20 0 DHADLP CCCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000368098645 1028299581 /nfs/dbraw/zinc/29/95/81/1028299581.db2.gz CGYYUIREJWNXTA-CVEARBPZSA-N 2 2 301.409 3.927 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(C)(C)C)cc1 ZINC000368097928 1028299719 /nfs/dbraw/zinc/29/97/19/1028299719.db2.gz AOZYFTKVDBCMJL-DZGCQCFKSA-N 2 2 313.445 3.795 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)o1 ZINC000368105961 1028303984 /nfs/dbraw/zinc/30/39/84/1028303984.db2.gz YWWVDQRUZQSZCI-ZFWWWQNUSA-N 2 2 307.397 3.878 20 0 DHADLP CC(C)C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[NH+](C)C ZINC000449073448 1028336377 /nfs/dbraw/zinc/33/63/77/1028336377.db2.gz NDVMWKBGZANXSI-HFCFLWKCSA-N 2 2 310.526 3.823 20 0 DHADLP Cc1cccc(CC[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000449075392 1028337059 /nfs/dbraw/zinc/33/70/59/1028337059.db2.gz QSFWFSOCVCILLS-UHFFFAOYSA-N 2 2 319.452 3.615 20 0 DHADLP Cn1cc([C@H]2[C@H](C[NH2+]C3CCCCCCC3)CCC[N@@H+]2C)cn1 ZINC000368401734 1028347167 /nfs/dbraw/zinc/34/71/67/1028347167.db2.gz GARVLXHQFFMLKS-QFBILLFUSA-N 2 2 318.509 3.506 20 0 DHADLP Cn1cc([C@H]2[C@H](C[NH2+]C3CCCCCCC3)CCC[N@H+]2C)cn1 ZINC000368401734 1028347184 /nfs/dbraw/zinc/34/71/84/1028347184.db2.gz GARVLXHQFFMLKS-QFBILLFUSA-N 2 2 318.509 3.506 20 0 DHADLP c1cn(CCC[N@H+]2CC=C(c3cncc4ccccc43)CC2)c[nH+]1 ZINC000368397842 1028349005 /nfs/dbraw/zinc/34/90/05/1028349005.db2.gz ANRPEJDUOLEZAE-UHFFFAOYSA-N 2 2 318.424 3.611 20 0 DHADLP c1cn(CCC[N@@H+]2CC=C(c3cncc4ccccc43)CC2)c[nH+]1 ZINC000368397842 1028349024 /nfs/dbraw/zinc/34/90/24/1028349024.db2.gz ANRPEJDUOLEZAE-UHFFFAOYSA-N 2 2 318.424 3.611 20 0 DHADLP COc1cc2ccccc2cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000449101397 1028351144 /nfs/dbraw/zinc/35/11/44/1028351144.db2.gz ZBFDZPNLHSRJKI-UHFFFAOYSA-N 2 2 324.468 3.955 20 0 DHADLP COCC(C)(C)CCC[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000368575567 1028375663 /nfs/dbraw/zinc/37/56/63/1028375663.db2.gz OHYPHUCZGKPOOO-UHFFFAOYSA-N 2 2 324.534 3.755 20 0 DHADLP FC(F)(F)C1CCC(C[N@@H+]2CCC[NH+]3CCC[C@H]3C2)CC1 ZINC000368632538 1028386024 /nfs/dbraw/zinc/38/60/24/1028386024.db2.gz NOJGWDJJNFXDIL-NRXISQOPSA-N 2 2 304.400 3.525 20 0 DHADLP FC(F)(F)C1CCC(C[N@H+]2CCC[NH+]3CCC[C@H]3C2)CC1 ZINC000368632538 1028386040 /nfs/dbraw/zinc/38/60/40/1028386040.db2.gz NOJGWDJJNFXDIL-NRXISQOPSA-N 2 2 304.400 3.525 20 0 DHADLP FC(F)(F)C1CCC(C[NH+]2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000368632538 1028386059 /nfs/dbraw/zinc/38/60/59/1028386059.db2.gz NOJGWDJJNFXDIL-NRXISQOPSA-N 2 2 304.400 3.525 20 0 DHADLP FC(F)(F)C1CCC(C[NH+]2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000368632538 1028386079 /nfs/dbraw/zinc/38/60/79/1028386079.db2.gz NOJGWDJJNFXDIL-NRXISQOPSA-N 2 2 304.400 3.525 20 0 DHADLP C1CCC(OC2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)C1 ZINC000449130149 1028386321 /nfs/dbraw/zinc/38/63/21/1028386321.db2.gz XSBHLOHUYAXFTG-OHTSDLOESA-N 2 2 320.521 3.863 20 0 DHADLP C1CCC(OC2CCC([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)CC2)C1 ZINC000449130149 1028386341 /nfs/dbraw/zinc/38/63/41/1028386341.db2.gz XSBHLOHUYAXFTG-OHTSDLOESA-N 2 2 320.521 3.863 20 0 DHADLP Cc1cccc(CC[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1 ZINC000449113927 1028391564 /nfs/dbraw/zinc/39/15/64/1028391564.db2.gz HLLGSZKRNKOCSO-KRWDZBQOSA-N 2 2 311.473 3.636 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)CCC2 ZINC000368662437 1028393104 /nfs/dbraw/zinc/39/31/04/1028393104.db2.gz IDTDXEFCXZMYJS-AWEZNQCLSA-N 2 2 323.362 3.878 20 0 DHADLP c1c(CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)[nH+]c2n1CCCC2 ZINC000368719073 1028400826 /nfs/dbraw/zinc/40/08/26/1028400826.db2.gz MQFQOFPIUQYZDG-MOPGFXCFSA-N 2 2 323.484 3.763 20 0 DHADLP FC(F)c1ccc(C[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000368785005 1028408965 /nfs/dbraw/zinc/40/89/65/1028408965.db2.gz SQYVJKIPOQDJIQ-MRXNPFEDSA-N 2 2 319.399 3.775 20 0 DHADLP FC(F)c1ccc(C[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000368785005 1028408972 /nfs/dbraw/zinc/40/89/72/1028408972.db2.gz SQYVJKIPOQDJIQ-MRXNPFEDSA-N 2 2 319.399 3.775 20 0 DHADLP Cc1ncsc1CC[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000369547650 1028499007 /nfs/dbraw/zinc/49/90/07/1028499007.db2.gz GOPCYTSEHNSBMB-HNNXBMFYSA-N 2 2 318.490 3.651 20 0 DHADLP Cc1ncsc1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000369547650 1028499012 /nfs/dbraw/zinc/49/90/12/1028499012.db2.gz GOPCYTSEHNSBMB-HNNXBMFYSA-N 2 2 318.490 3.651 20 0 DHADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@H]1CCCOCC1)c1ccccc1 ZINC001170792099 1028543962 /nfs/dbraw/zinc/54/39/62/1028543962.db2.gz GJAMWFSMGXLGOR-SLFFLAALSA-N 2 2 310.441 3.586 20 0 DHADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370175442 1028574300 /nfs/dbraw/zinc/57/43/00/1028574300.db2.gz UDNJPIRVLIBEIN-USNOLKROSA-N 2 2 323.484 3.856 20 0 DHADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370175442 1028574308 /nfs/dbraw/zinc/57/43/08/1028574308.db2.gz UDNJPIRVLIBEIN-USNOLKROSA-N 2 2 323.484 3.856 20 0 DHADLP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c(C)c1 ZINC000370407126 1028600099 /nfs/dbraw/zinc/60/00/99/1028600099.db2.gz PDXAIGLXAOPOAC-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c(C)c1 ZINC000370407126 1028600105 /nfs/dbraw/zinc/60/01/05/1028600105.db2.gz PDXAIGLXAOPOAC-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(C)c1 ZINC000370407126 1028600114 /nfs/dbraw/zinc/60/01/14/1028600114.db2.gz PDXAIGLXAOPOAC-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(C)c1 ZINC000370407126 1028600121 /nfs/dbraw/zinc/60/01/21/1028600121.db2.gz PDXAIGLXAOPOAC-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370627326 1028625534 /nfs/dbraw/zinc/62/55/34/1028625534.db2.gz AMOOYHMKCZNYTI-GHTZIAJQSA-N 2 2 321.468 3.571 20 0 DHADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370627326 1028625541 /nfs/dbraw/zinc/62/55/41/1028625541.db2.gz AMOOYHMKCZNYTI-GHTZIAJQSA-N 2 2 321.468 3.571 20 0 DHADLP Cc1sc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nc1-c1ccccc1 ZINC000370675932 1028634678 /nfs/dbraw/zinc/63/46/78/1028634678.db2.gz GTHANRZXEYMGCO-CJNGLKHVSA-N 2 2 315.486 3.691 20 0 DHADLP Cc1sc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nc1-c1ccccc1 ZINC000370675932 1028634682 /nfs/dbraw/zinc/63/46/82/1028634682.db2.gz GTHANRZXEYMGCO-CJNGLKHVSA-N 2 2 315.486 3.691 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)CCC2 ZINC000370675727 1028635461 /nfs/dbraw/zinc/63/54/61/1028635461.db2.gz GOCZSRKWLUHSRA-ZDUSSCGKSA-N 2 2 307.800 3.651 20 0 DHADLP CCc1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)cs1 ZINC000371076598 1028667549 /nfs/dbraw/zinc/66/75/49/1028667549.db2.gz RSEAYEQHKUMZAC-HNNXBMFYSA-N 2 2 318.490 3.690 20 0 DHADLP CCc1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)cs1 ZINC000371076598 1028667555 /nfs/dbraw/zinc/66/75/55/1028667555.db2.gz RSEAYEQHKUMZAC-HNNXBMFYSA-N 2 2 318.490 3.690 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000371206386 1028677534 /nfs/dbraw/zinc/67/75/34/1028677534.db2.gz YMUBLZKMPYMCOK-CYBMUJFWSA-N 2 2 306.841 3.503 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000371206386 1028677537 /nfs/dbraw/zinc/67/75/37/1028677537.db2.gz YMUBLZKMPYMCOK-CYBMUJFWSA-N 2 2 306.841 3.503 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000371477906 1028721904 /nfs/dbraw/zinc/72/19/04/1028721904.db2.gz QQCMEROZABHGAP-IBGZPJMESA-N 2 2 324.403 3.529 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000371477906 1028721915 /nfs/dbraw/zinc/72/19/15/1028721915.db2.gz QQCMEROZABHGAP-IBGZPJMESA-N 2 2 324.403 3.529 20 0 DHADLP C[NH+]1CCC([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000371986018 1028788938 /nfs/dbraw/zinc/78/89/38/1028788938.db2.gz XCCIISVVMYGTKE-ZDUSSCGKSA-N 2 2 315.244 3.501 20 0 DHADLP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000372047336 1028799849 /nfs/dbraw/zinc/79/98/49/1028799849.db2.gz XRUUQBXVTWVBMT-YXJHDRRASA-N 2 2 324.896 3.738 20 0 DHADLP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000372047336 1028799865 /nfs/dbraw/zinc/79/98/65/1028799865.db2.gz XRUUQBXVTWVBMT-YXJHDRRASA-N 2 2 324.896 3.738 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccsc1 ZINC000372064422 1028803503 /nfs/dbraw/zinc/80/35/03/1028803503.db2.gz CWELZCCDMSECAX-HNNXBMFYSA-N 2 2 315.486 3.501 20 0 DHADLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCCS1 ZINC000628205509 1028937481 /nfs/dbraw/zinc/93/74/81/1028937481.db2.gz RUEIZFNQUSQWAB-SFHVURJKSA-N 2 2 322.493 3.665 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628241407 1028957386 /nfs/dbraw/zinc/95/73/86/1028957386.db2.gz UYARJCTZQSZZDV-RDTXWAMCSA-N 2 2 322.443 3.920 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628241407 1028957392 /nfs/dbraw/zinc/95/73/92/1028957392.db2.gz UYARJCTZQSZZDV-RDTXWAMCSA-N 2 2 322.443 3.920 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000567796432 1028957360 /nfs/dbraw/zinc/95/73/60/1028957360.db2.gz BLLNUIAFLMZYBW-IBGZPJMESA-N 2 2 318.424 3.565 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000567796432 1028957377 /nfs/dbraw/zinc/95/73/77/1028957377.db2.gz BLLNUIAFLMZYBW-IBGZPJMESA-N 2 2 318.424 3.565 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628241405 1028959945 /nfs/dbraw/zinc/95/99/45/1028959945.db2.gz UYARJCTZQSZZDV-KDOFPFPSSA-N 2 2 322.443 3.920 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC(F)(F)C1 ZINC000628241405 1028959960 /nfs/dbraw/zinc/95/99/60/1028959960.db2.gz UYARJCTZQSZZDV-KDOFPFPSSA-N 2 2 322.443 3.920 20 0 DHADLP C[C@@]1(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCS1 ZINC000628262792 1028974423 /nfs/dbraw/zinc/97/44/23/1028974423.db2.gz ZBENFJHJXZTIGP-YJBOKZPZSA-N 2 2 319.518 3.685 20 0 DHADLP C[C@@]1(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCS1 ZINC000628262792 1028974435 /nfs/dbraw/zinc/97/44/35/1028974435.db2.gz ZBENFJHJXZTIGP-YJBOKZPZSA-N 2 2 319.518 3.685 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281026 1028988027 /nfs/dbraw/zinc/98/80/27/1028988027.db2.gz WEQIGVWUMPIUGH-JQWIXIFHSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281026 1028988041 /nfs/dbraw/zinc/98/80/41/1028988041.db2.gz WEQIGVWUMPIUGH-JQWIXIFHSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281026 1028988052 /nfs/dbraw/zinc/98/80/52/1028988052.db2.gz WEQIGVWUMPIUGH-JQWIXIFHSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281026 1028988055 /nfs/dbraw/zinc/98/80/55/1028988055.db2.gz WEQIGVWUMPIUGH-JQWIXIFHSA-N 2 2 306.397 3.539 20 0 DHADLP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@H]21 ZINC000568065416 1029002432 /nfs/dbraw/zinc/00/24/32/1029002432.db2.gz PPASCCOFVCIALZ-CZUORRHYSA-N 2 2 315.848 3.809 20 0 DHADLP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@H]21 ZINC000568065416 1029002446 /nfs/dbraw/zinc/00/24/46/1029002446.db2.gz PPASCCOFVCIALZ-CZUORRHYSA-N 2 2 315.848 3.809 20 0 DHADLP C[C@H]1CCCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373492474 1029063644 /nfs/dbraw/zinc/06/36/44/1029063644.db2.gz DRCCNNCFCWIUBI-MFNGEMCRSA-N 2 2 318.427 3.960 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cnc2ccsc2c1 ZINC000373524618 1029070318 /nfs/dbraw/zinc/07/03/18/1029070318.db2.gz TZLXUDMSHZTLRL-IUDNXUCKSA-N 2 2 315.486 3.964 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000568452743 1029072416 /nfs/dbraw/zinc/07/24/16/1029072416.db2.gz MJYXJMWGUWCTMZ-HOCLYGCPSA-N 2 2 313.445 3.797 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000817941882 1029282307 /nfs/dbraw/zinc/28/23/07/1029282307.db2.gz SUDVQIVYRPFSOC-DOMZBBRYSA-N 2 2 312.429 3.720 20 0 DHADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(SC(F)F)cc1 ZINC000817966987 1029308299 /nfs/dbraw/zinc/30/82/99/1029308299.db2.gz BCXQNWCIXNKJMK-SUNKGSAMSA-N 2 2 300.418 3.650 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629521169 1029355297 /nfs/dbraw/zinc/35/52/97/1029355297.db2.gz RKSQFGPVMSMVBG-UONOGXRCSA-N 2 2 311.256 3.855 20 0 DHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629549435 1029363627 /nfs/dbraw/zinc/36/36/27/1029363627.db2.gz VOJRNNIZLHBZFU-ZRGWGRIASA-N 2 2 310.441 3.763 20 0 DHADLP FC(F)SCc1ccc(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000044353196 1029397044 /nfs/dbraw/zinc/39/70/44/1029397044.db2.gz WNJAKSYUVPXJJF-UHFFFAOYSA-N 2 2 315.389 3.502 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000450466816 1029495653 /nfs/dbraw/zinc/49/56/53/1029495653.db2.gz JUSGLONDUMQILL-QAPCUYQASA-N 2 2 320.452 3.593 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000450466816 1029495661 /nfs/dbraw/zinc/49/56/61/1029495661.db2.gz JUSGLONDUMQILL-QAPCUYQASA-N 2 2 320.452 3.593 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)CCCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000450466816 1029495666 /nfs/dbraw/zinc/49/56/66/1029495666.db2.gz JUSGLONDUMQILL-QAPCUYQASA-N 2 2 320.452 3.593 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000450466816 1029495674 /nfs/dbraw/zinc/49/56/74/1029495674.db2.gz JUSGLONDUMQILL-QAPCUYQASA-N 2 2 320.452 3.593 20 0 DHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1ccc(Cl)cc1 ZINC000450472630 1029497813 /nfs/dbraw/zinc/49/78/13/1029497813.db2.gz MCONMXJVOZKWOA-KRWDZBQOSA-N 2 2 303.837 3.552 20 0 DHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1ccc(Cl)cc1 ZINC000450472630 1029497819 /nfs/dbraw/zinc/49/78/19/1029497819.db2.gz MCONMXJVOZKWOA-KRWDZBQOSA-N 2 2 303.837 3.552 20 0 DHADLP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450491079 1029513185 /nfs/dbraw/zinc/51/31/85/1029513185.db2.gz VVRVTKHTMDDIEH-GFCCVEGCSA-N 2 2 321.827 3.948 20 0 DHADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000450673345 1029615426 /nfs/dbraw/zinc/61/54/26/1029615426.db2.gz PBTVMMPVLRLXDE-AQNXPRMDSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000450673345 1029615431 /nfs/dbraw/zinc/61/54/31/1029615431.db2.gz PBTVMMPVLRLXDE-AQNXPRMDSA-N 2 2 316.489 3.617 20 0 DHADLP FC1(F)CC[C@@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000450929254 1029741045 /nfs/dbraw/zinc/74/10/45/1029741045.db2.gz UBRXOIGJEBHLSX-CABCVRRESA-N 2 2 323.431 3.834 20 0 DHADLP FC1(F)CC[C@@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000450929254 1029741047 /nfs/dbraw/zinc/74/10/47/1029741047.db2.gz UBRXOIGJEBHLSX-CABCVRRESA-N 2 2 323.431 3.834 20 0 DHADLP CC[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000303524534 1029776758 /nfs/dbraw/zinc/77/67/58/1029776758.db2.gz ZQWLFCXGRWDHDZ-GOSISDBHSA-N 2 2 315.436 3.784 20 0 DHADLP CC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000303524534 1029776765 /nfs/dbraw/zinc/77/67/65/1029776765.db2.gz ZQWLFCXGRWDHDZ-GOSISDBHSA-N 2 2 315.436 3.784 20 0 DHADLP CC(C)C[C@H](C)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000290191946 1029941079 /nfs/dbraw/zinc/94/10/79/1029941079.db2.gz CHCMWFNBKSQPTM-IRXDYDNUSA-N 2 2 303.494 3.879 20 0 DHADLP CCC(CC)(C[NH2+]Cc1ncc(C[NH+](C)C)s1)C(F)(F)F ZINC000865756649 1030006253 /nfs/dbraw/zinc/00/62/53/1030006253.db2.gz WWWZMYYXGDUWHS-UHFFFAOYSA-N 2 2 323.428 3.663 20 0 DHADLP CCSc1ccccc1C[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000924535123 1030115679 /nfs/dbraw/zinc/11/56/79/1030115679.db2.gz URLZFNZIKYKJCN-OAHLLOKOSA-N 2 2 303.475 3.606 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924578493 1030127008 /nfs/dbraw/zinc/12/70/08/1030127008.db2.gz OZIUXYCZBSHQRZ-HNNXBMFYSA-N 2 2 313.445 3.867 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(-c2ccccc2)no1 ZINC000924696418 1030163482 /nfs/dbraw/zinc/16/34/82/1030163482.db2.gz GDPSUFSNLKWTAU-BHYGNILZSA-N 2 2 311.429 3.619 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(-c2ccccc2)no1 ZINC000924696418 1030163489 /nfs/dbraw/zinc/16/34/89/1030163489.db2.gz GDPSUFSNLKWTAU-BHYGNILZSA-N 2 2 311.429 3.619 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCc3cccc4cccc1c43)C2 ZINC000866360801 1030253138 /nfs/dbraw/zinc/25/31/38/1030253138.db2.gz GFWJPXDDIJTVQZ-DOTOQJQBSA-N 2 2 303.409 3.697 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866404522 1030284108 /nfs/dbraw/zinc/28/41/08/1030284108.db2.gz SJKFAYCPSHOENW-CABCVRRESA-N 2 2 301.459 3.666 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(O)cc(F)c1 ZINC000925220468 1030309786 /nfs/dbraw/zinc/30/97/86/1030309786.db2.gz KANAYCFTEUCIAU-CYBMUJFWSA-N 2 2 306.425 3.589 20 0 DHADLP c1[nH+]c([C@H]2CCC[N@@H+]([C@H]3C[C@H]3c3ccccc3)C2)n2c1CCCC2 ZINC000291057061 1030313834 /nfs/dbraw/zinc/31/38/34/1030313834.db2.gz CPLFXFFHDLIOEM-IHPCNDPISA-N 2 2 321.468 3.955 20 0 DHADLP c1[nH+]c([C@H]2CCC[N@H+]([C@H]3C[C@H]3c3ccccc3)C2)n2c1CCCC2 ZINC000291057061 1030313851 /nfs/dbraw/zinc/31/38/51/1030313851.db2.gz CPLFXFFHDLIOEM-IHPCNDPISA-N 2 2 321.468 3.955 20 0 DHADLP Cc1[nH+]cn(-c2ccc(NCc3c[nH+]ccc3N(C)C)cc2)c1C ZINC000291211293 1030402284 /nfs/dbraw/zinc/40/22/84/1030402284.db2.gz IPPIEPVTCQNFDY-UHFFFAOYSA-N 2 2 321.428 3.562 20 0 DHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000866707026 1030427545 /nfs/dbraw/zinc/42/75/45/1030427545.db2.gz SCARZHNPZXOHAP-KRWDZBQOSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000866707026 1030427550 /nfs/dbraw/zinc/42/75/50/1030427550.db2.gz SCARZHNPZXOHAP-KRWDZBQOSA-N 2 2 319.474 3.600 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358318685 1030436714 /nfs/dbraw/zinc/43/67/14/1030436714.db2.gz MYIJPALBJXISAT-DOTOQJQBSA-N 2 2 311.429 3.625 20 0 DHADLP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925748592 1030475998 /nfs/dbraw/zinc/47/59/98/1030475998.db2.gz WOQULOIFMYFZBT-CYBMUJFWSA-N 2 2 323.465 3.874 20 0 DHADLP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925748592 1030476002 /nfs/dbraw/zinc/47/60/02/1030476002.db2.gz WOQULOIFMYFZBT-CYBMUJFWSA-N 2 2 323.465 3.874 20 0 DHADLP Clc1cccc2c1CC[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001171048639 1030489154 /nfs/dbraw/zinc/48/91/54/1030489154.db2.gz CBXAYSFEZJEGDE-LSDHHAIUSA-N 2 2 315.848 3.734 20 0 DHADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000925799567 1030499652 /nfs/dbraw/zinc/49/96/52/1030499652.db2.gz ZKIOHIDJFPMTAD-IAGOWNOFSA-N 2 2 322.880 3.539 20 0 DHADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2ccccc2c1 ZINC000925795776 1030499674 /nfs/dbraw/zinc/49/96/74/1030499674.db2.gz PVUWGIFHXFQJMO-OXQOHEQNSA-N 2 2 324.468 3.649 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000558416848 1030569220 /nfs/dbraw/zinc/56/92/20/1030569220.db2.gz KWIDKLICQGCGHD-UHFFFAOYSA-N 2 2 304.409 3.778 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[N@H+](C)CCC[NH+](C)C)o1 ZINC000558416848 1030569227 /nfs/dbraw/zinc/56/92/27/1030569227.db2.gz KWIDKLICQGCGHD-UHFFFAOYSA-N 2 2 304.409 3.778 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063642 1030626061 /nfs/dbraw/zinc/62/60/61/1030626061.db2.gz NIIVASQJSNUCKW-KBPBESRZSA-N 2 2 313.272 3.535 20 0 DHADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171063642 1030626066 /nfs/dbraw/zinc/62/60/66/1030626066.db2.gz NIIVASQJSNUCKW-KBPBESRZSA-N 2 2 313.272 3.535 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)[N@H+](C)C1CC1 ZINC000246904269 1030660779 /nfs/dbraw/zinc/66/07/79/1030660779.db2.gz FMTIHIUIOHSCMA-IHRRRGAJSA-N 2 2 317.502 3.861 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)[N@@H+](C)C1CC1 ZINC000246904269 1030660783 /nfs/dbraw/zinc/66/07/83/1030660783.db2.gz FMTIHIUIOHSCMA-IHRRRGAJSA-N 2 2 317.502 3.861 20 0 DHADLP CC(C)C[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000122335192 1030662094 /nfs/dbraw/zinc/66/20/94/1030662094.db2.gz HJISOWUQJJRCHX-MRXNPFEDSA-N 2 2 303.494 3.746 20 0 DHADLP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000247004137 1030667256 /nfs/dbraw/zinc/66/72/56/1030667256.db2.gz KBGHSSGGBJIPFJ-IEBWSBKVSA-N 2 2 315.505 3.852 20 0 DHADLP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000247004137 1030667266 /nfs/dbraw/zinc/66/72/66/1030667266.db2.gz KBGHSSGGBJIPFJ-IEBWSBKVSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@]1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1(Cl)Cl ZINC000824964385 1030671808 /nfs/dbraw/zinc/67/18/08/1030671808.db2.gz VMCVZXCMSZDBRE-OAHLLOKOSA-N 2 2 324.255 3.936 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccoc1 ZINC000122360893 1030679440 /nfs/dbraw/zinc/67/94/40/1030679440.db2.gz OJENAWKFGVZYHR-HNNXBMFYSA-N 2 2 313.445 3.665 20 0 DHADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000247248085 1030683497 /nfs/dbraw/zinc/68/34/97/1030683497.db2.gz ZLPHXTGJHDVQKT-CABCVRRESA-N 2 2 315.486 3.803 20 0 DHADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000247248085 1030683509 /nfs/dbraw/zinc/68/35/09/1030683509.db2.gz ZLPHXTGJHDVQKT-CABCVRRESA-N 2 2 315.486 3.803 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926354191 1030709148 /nfs/dbraw/zinc/70/91/48/1030709148.db2.gz NTSQVLDLSZXKLN-MAUKXSAKSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926354191 1030709165 /nfs/dbraw/zinc/70/91/65/1030709165.db2.gz NTSQVLDLSZXKLN-MAUKXSAKSA-N 2 2 315.486 3.706 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](Cc4cccnc4)CC[C@H]32)cc1 ZINC000248060708 1030714690 /nfs/dbraw/zinc/71/46/90/1030714690.db2.gz LVOHIZFOKBONNH-NHCUHLMSSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](Cc4cccnc4)CC[C@H]32)cc1 ZINC000248060708 1030714702 /nfs/dbraw/zinc/71/47/02/1030714702.db2.gz LVOHIZFOKBONNH-NHCUHLMSSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](Cc4cccnc4)CC[C@H]32)cc1 ZINC000248060708 1030714714 /nfs/dbraw/zinc/71/47/14/1030714714.db2.gz LVOHIZFOKBONNH-NHCUHLMSSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](Cc4cccnc4)CC[C@H]32)cc1 ZINC000248060708 1030714726 /nfs/dbraw/zinc/71/47/26/1030714726.db2.gz LVOHIZFOKBONNH-NHCUHLMSSA-N 2 2 321.468 3.568 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000248032493 1030715010 /nfs/dbraw/zinc/71/50/10/1030715010.db2.gz QUUPBJZLQZXSIA-MAODMQOUSA-N 2 2 321.468 3.569 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000248032493 1030715025 /nfs/dbraw/zinc/71/50/25/1030715025.db2.gz QUUPBJZLQZXSIA-MAODMQOUSA-N 2 2 321.468 3.569 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000248032476 1030716349 /nfs/dbraw/zinc/71/63/49/1030716349.db2.gz QUUPBJZLQZXSIA-CZAAIQMYSA-N 2 2 321.468 3.569 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000248032476 1030716364 /nfs/dbraw/zinc/71/63/64/1030716364.db2.gz QUUPBJZLQZXSIA-CZAAIQMYSA-N 2 2 321.468 3.569 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc2ccccc21 ZINC000926450395 1030743936 /nfs/dbraw/zinc/74/39/36/1030743936.db2.gz MEZQQTRKOQTVAS-CZUORRHYSA-N 2 2 321.424 3.780 20 0 DHADLP c1csc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CCO2)c1 ZINC000926538659 1030788281 /nfs/dbraw/zinc/78/82/81/1030788281.db2.gz SWVPGGDGWAVTQD-NCOADZHNSA-N 2 2 320.502 3.575 20 0 DHADLP c1csc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CCO2)c1 ZINC000926538659 1030788283 /nfs/dbraw/zinc/78/82/83/1030788283.db2.gz SWVPGGDGWAVTQD-NCOADZHNSA-N 2 2 320.502 3.575 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1ccccn1)C(C)C ZINC000558828661 1030835748 /nfs/dbraw/zinc/83/57/48/1030835748.db2.gz MKUYLYUMTZZUSO-UHFFFAOYSA-N 2 2 320.440 3.986 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1ccccn1)C(C)C ZINC000558828661 1030835768 /nfs/dbraw/zinc/83/57/68/1030835768.db2.gz MKUYLYUMTZZUSO-UHFFFAOYSA-N 2 2 320.440 3.986 20 0 DHADLP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926643394 1030838014 /nfs/dbraw/zinc/83/80/14/1030838014.db2.gz RVOGVTTWFNHKFC-CBBWQLFWSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926643394 1030838028 /nfs/dbraw/zinc/83/80/28/1030838028.db2.gz RVOGVTTWFNHKFC-CBBWQLFWSA-N 2 2 304.400 3.714 20 0 DHADLP c1coc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000252802633 1030927173 /nfs/dbraw/zinc/92/71/73/1030927173.db2.gz PJFVUULDQSPXHT-AZUAARDMSA-N 2 2 310.441 3.766 20 0 DHADLP c1coc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000252802633 1030927182 /nfs/dbraw/zinc/92/71/82/1030927182.db2.gz PJFVUULDQSPXHT-AZUAARDMSA-N 2 2 310.441 3.766 20 0 DHADLP c1coc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000252802633 1030927191 /nfs/dbraw/zinc/92/71/91/1030927191.db2.gz PJFVUULDQSPXHT-AZUAARDMSA-N 2 2 310.441 3.766 20 0 DHADLP c1coc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000252802633 1030927201 /nfs/dbraw/zinc/92/72/01/1030927201.db2.gz PJFVUULDQSPXHT-AZUAARDMSA-N 2 2 310.441 3.766 20 0 DHADLP CC[C@H](C[C@@](C)(O)CC)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926863314 1030958159 /nfs/dbraw/zinc/95/81/59/1030958159.db2.gz KHHMOZBAIZTZQY-QYZOEREBSA-N 2 2 315.461 3.544 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001171111123 1031003665 /nfs/dbraw/zinc/00/36/65/1031003665.db2.gz HNQDYFHVZCPCRL-QGZVFWFLSA-N 2 2 311.816 3.635 20 0 DHADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000926953395 1031016191 /nfs/dbraw/zinc/01/61/91/1031016191.db2.gz CBGXYPCISDRAIC-ICSRJNTNSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000926953395 1031016201 /nfs/dbraw/zinc/01/62/01/1031016201.db2.gz CBGXYPCISDRAIC-ICSRJNTNSA-N 2 2 323.484 3.699 20 0 DHADLP CC(C)O[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000292571126 1031080952 /nfs/dbraw/zinc/08/09/52/1031080952.db2.gz SOIWRAJCTRWGRH-IBGZPJMESA-N 2 2 313.445 3.686 20 0 DHADLP CCc1onc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000927137652 1031112614 /nfs/dbraw/zinc/11/26/14/1031112614.db2.gz AGCPNAPWOMAAOQ-KDOFPFPSSA-N 2 2 319.493 3.678 20 0 DHADLP CCc1onc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000927138338 1031112724 /nfs/dbraw/zinc/11/27/24/1031112724.db2.gz DXSIWTFUJGPVPU-RHSMWYFYSA-N 2 2 319.493 3.678 20 0 DHADLP CC[C@H]1C[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000648567317 1031122057 /nfs/dbraw/zinc/12/20/57/1031122057.db2.gz BXCVYPCFMGCMHL-MSOLQXFVSA-N 2 2 308.510 3.580 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000360044629 1031252270 /nfs/dbraw/zinc/25/22/70/1031252270.db2.gz GOGALOUZJVSJBA-ZIAGYGMSSA-N 2 2 312.442 3.746 20 0 DHADLP CCc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(CC)c1O ZINC001144149620 1031285739 /nfs/dbraw/zinc/28/57/39/1031285739.db2.gz KTIFYDXRHMBMDS-UHFFFAOYSA-N 2 2 318.505 3.822 20 0 DHADLP CCc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(CC)c1O ZINC001144149620 1031285746 /nfs/dbraw/zinc/28/57/46/1031285746.db2.gz KTIFYDXRHMBMDS-UHFFFAOYSA-N 2 2 318.505 3.822 20 0 DHADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144246736 1031381544 /nfs/dbraw/zinc/38/15/44/1031381544.db2.gz HRKLADSNOXVWMU-UHFFFAOYSA-N 2 2 311.473 3.784 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(O)ccc1F ZINC000872036548 1031419289 /nfs/dbraw/zinc/41/92/89/1031419289.db2.gz WHILUXVPAFIFJU-GFCCVEGCSA-N 2 2 320.383 3.583 20 0 DHADLP CC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000872088267 1031485947 /nfs/dbraw/zinc/48/59/47/1031485947.db2.gz NKOJTZKDHSTKOK-MJGOQNOKSA-N 2 2 308.510 3.578 20 0 DHADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000536999917 1031487840 /nfs/dbraw/zinc/48/78/40/1031487840.db2.gz GIDSKPYSDRWPQW-HKUYNNGSSA-N 2 2 302.462 3.610 20 0 DHADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000536999917 1031487843 /nfs/dbraw/zinc/48/78/43/1031487843.db2.gz GIDSKPYSDRWPQW-HKUYNNGSSA-N 2 2 302.462 3.610 20 0 DHADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137056347 1031493474 /nfs/dbraw/zinc/49/34/74/1031493474.db2.gz RHCPTIVGJVCSTC-UHFFFAOYSA-N 2 2 303.425 3.613 20 0 DHADLP Cc1cc2[nH]c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c(C)c1 ZINC000360838133 1031583555 /nfs/dbraw/zinc/58/35/55/1031583555.db2.gz SVYGCDGHSSJTOD-HNNXBMFYSA-N 2 2 308.429 3.887 20 0 DHADLP Cc1cc2[nH]c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c(C)c1 ZINC000360838133 1031583569 /nfs/dbraw/zinc/58/35/69/1031583569.db2.gz SVYGCDGHSSJTOD-HNNXBMFYSA-N 2 2 308.429 3.887 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000293803014 1031632907 /nfs/dbraw/zinc/63/29/07/1031632907.db2.gz VAZUKZMAADMJQC-OTNPHJDUSA-N 2 2 324.468 3.534 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000293803014 1031632915 /nfs/dbraw/zinc/63/29/15/1031632915.db2.gz VAZUKZMAADMJQC-OTNPHJDUSA-N 2 2 324.468 3.534 20 0 DHADLP CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000361153765 1031759777 /nfs/dbraw/zinc/75/97/77/1031759777.db2.gz NJZGPUHRAMHADW-KUHUBIRLSA-N 2 2 300.446 3.839 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873231221 1031764536 /nfs/dbraw/zinc/76/45/36/1031764536.db2.gz LFLVKEBVFXEHFA-RTWAWAEBSA-N 2 2 322.452 3.736 20 0 DHADLP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000361236009 1031801134 /nfs/dbraw/zinc/80/11/34/1031801134.db2.gz HCOIHHUANRPGOX-ROUUACIJSA-N 2 2 313.445 3.554 20 0 DHADLP CC1(C)C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000897799751 1031841065 /nfs/dbraw/zinc/84/10/65/1031841065.db2.gz KQBGCXGSGIMOIJ-OAHLLOKOSA-N 2 2 301.459 3.636 20 0 DHADLP c1ccc(C[NH+]2CCC(Nc3ccc(C4CCC4)c[nH+]3)CC2)nc1 ZINC000294176992 1031847536 /nfs/dbraw/zinc/84/75/36/1031847536.db2.gz WRYBXYBLEYQTFY-UHFFFAOYSA-N 2 2 322.456 3.821 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)n1-c1ccccc1 ZINC000846110091 1031859136 /nfs/dbraw/zinc/85/91/36/1031859136.db2.gz ZALRBNFYQPUYGK-QGZVFWFLSA-N 2 2 317.383 3.802 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)n1-c1ccccc1 ZINC000846110091 1031859148 /nfs/dbraw/zinc/85/91/48/1031859148.db2.gz ZALRBNFYQPUYGK-QGZVFWFLSA-N 2 2 317.383 3.802 20 0 DHADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000361383141 1031899278 /nfs/dbraw/zinc/89/92/78/1031899278.db2.gz ZLJCVMQNGKGVKJ-DOIPELPJSA-N 2 2 321.468 3.562 20 0 DHADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000361383141 1031899293 /nfs/dbraw/zinc/89/92/93/1031899293.db2.gz ZLJCVMQNGKGVKJ-DOIPELPJSA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000361383141 1031899308 /nfs/dbraw/zinc/89/93/08/1031899308.db2.gz ZLJCVMQNGKGVKJ-DOIPELPJSA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000361383141 1031899327 /nfs/dbraw/zinc/89/93/27/1031899327.db2.gz ZLJCVMQNGKGVKJ-DOIPELPJSA-N 2 2 321.468 3.562 20 0 DHADLP Oc1cccc2sc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc21 ZINC000897981000 1031911826 /nfs/dbraw/zinc/91/18/26/1031911826.db2.gz HWPFYLVBVYXNOJ-UHFFFAOYSA-N 2 2 316.470 3.713 20 0 DHADLP CCCC[N@H+](Cc1cc(C)on1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033057 1032017107 /nfs/dbraw/zinc/01/71/07/1032017107.db2.gz PWHFMWKHUTVFPT-UHFFFAOYSA-N 2 2 307.482 3.894 20 0 DHADLP CCCC[N@@H+](Cc1cc(C)on1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033057 1032017123 /nfs/dbraw/zinc/01/71/23/1032017123.db2.gz PWHFMWKHUTVFPT-UHFFFAOYSA-N 2 2 307.482 3.894 20 0 DHADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[C@H](C)C1 ZINC000361638441 1032028248 /nfs/dbraw/zinc/02/82/48/1032028248.db2.gz LXSKPYMHCVXOIF-QFBILLFUSA-N 2 2 313.445 3.509 20 0 DHADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[C@H](C)C1 ZINC000361638441 1032028255 /nfs/dbraw/zinc/02/82/55/1032028255.db2.gz LXSKPYMHCVXOIF-QFBILLFUSA-N 2 2 313.445 3.509 20 0 DHADLP C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927033248 1033374130 /nfs/dbraw/zinc/37/41/30/1033374130.db2.gz SGBLFOQMPNAEQT-YCPHGPKFSA-N 2 2 301.459 3.807 20 0 DHADLP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000877674006 1033407401 /nfs/dbraw/zinc/40/74/01/1033407401.db2.gz LCHXYBPEUZWSKZ-CYBMUJFWSA-N 2 2 305.293 3.521 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)C[NH+]1CCC(C)CC1)CC2 ZINC001172843955 1033414642 /nfs/dbraw/zinc/41/46/42/1033414642.db2.gz VLWMQKLCFVZNST-XLIONFOSSA-N 2 2 300.490 3.562 20 0 DHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172859781 1033429770 /nfs/dbraw/zinc/42/97/70/1033429770.db2.gz WLGCHTFUGSLYIA-BBRMVZONSA-N 2 2 312.860 3.730 20 0 DHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2Cl)C1 ZINC001172859781 1033429780 /nfs/dbraw/zinc/42/97/80/1033429780.db2.gz WLGCHTFUGSLYIA-BBRMVZONSA-N 2 2 312.860 3.730 20 0 DHADLP C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000877813788 1033467974 /nfs/dbraw/zinc/46/79/74/1033467974.db2.gz KLQGVRLEROVDNA-OAHLLOKOSA-N 2 2 309.335 3.647 20 0 DHADLP C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000877813788 1033467979 /nfs/dbraw/zinc/46/79/79/1033467979.db2.gz KLQGVRLEROVDNA-OAHLLOKOSA-N 2 2 309.335 3.647 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000152325986 1033560123 /nfs/dbraw/zinc/56/01/23/1033560123.db2.gz SHYADHJNXUDQIN-LNLFQRSKSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000152325986 1033560126 /nfs/dbraw/zinc/56/01/26/1033560126.db2.gz SHYADHJNXUDQIN-LNLFQRSKSA-N 2 2 309.457 3.643 20 0 DHADLP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC001173265362 1033636319 /nfs/dbraw/zinc/63/63/19/1033636319.db2.gz SRKYMXHHJOQUBX-QFBILLFUSA-N 2 2 316.489 3.828 20 0 DHADLP CCc1ccc(C[C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001173240728 1033648149 /nfs/dbraw/zinc/64/81/49/1033648149.db2.gz CECYLJCRBQJGJQ-QGZVFWFLSA-N 2 2 323.484 3.834 20 0 DHADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCn1cc[nH+]c1 ZINC001173542824 1033760834 /nfs/dbraw/zinc/76/08/34/1033760834.db2.gz JBPOPADQYTVIJT-GFCCVEGCSA-N 2 2 312.244 3.801 20 0 DHADLP C[C@H](C[N@H+](C)Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000862525432 1033871634 /nfs/dbraw/zinc/87/16/34/1033871634.db2.gz BDVBQCIKNIHXAV-CQSZACIVSA-N 2 2 309.523 3.853 20 0 DHADLP C[C@H](C[N@@H+](C)Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000862525432 1033871641 /nfs/dbraw/zinc/87/16/41/1033871641.db2.gz BDVBQCIKNIHXAV-CQSZACIVSA-N 2 2 309.523 3.853 20 0 DHADLP CC[N@H+](Cc1scnc1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000879058181 1033908344 /nfs/dbraw/zinc/90/83/44/1033908344.db2.gz KNQWNAYGCSCMBU-UHFFFAOYSA-N 2 2 323.893 3.880 20 0 DHADLP CC[N@@H+](Cc1scnc1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000879058181 1033908358 /nfs/dbraw/zinc/90/83/58/1033908358.db2.gz KNQWNAYGCSCMBU-UHFFFAOYSA-N 2 2 323.893 3.880 20 0 DHADLP CCCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000667564039 1033921739 /nfs/dbraw/zinc/92/17/39/1033921739.db2.gz ZMUNADQRWCKOOV-UHFFFAOYSA-N 2 2 313.445 3.817 20 0 DHADLP C[NH+](C)Cc1ccccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001173929658 1033992054 /nfs/dbraw/zinc/99/20/54/1033992054.db2.gz JAZRCBLJTOHVFS-UHFFFAOYSA-N 2 2 306.413 3.737 20 0 DHADLP CCOc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000177871664 1034192162 /nfs/dbraw/zinc/19/21/62/1034192162.db2.gz CGJRKDZCGGFLIX-NRFANRHFSA-N 2 2 324.468 3.859 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000880255971 1034268175 /nfs/dbraw/zinc/26/81/75/1034268175.db2.gz BFDWUPAAYRBLES-AWEZNQCLSA-N 2 2 319.320 3.911 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000480561580 1034318313 /nfs/dbraw/zinc/31/83/13/1034318313.db2.gz GMVOHWFVCICUCB-WWGRRREGSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000480561580 1034318331 /nfs/dbraw/zinc/31/83/31/1034318331.db2.gz GMVOHWFVCICUCB-WWGRRREGSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000480561580 1034318347 /nfs/dbraw/zinc/31/83/47/1034318347.db2.gz GMVOHWFVCICUCB-WWGRRREGSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000480561580 1034318359 /nfs/dbraw/zinc/31/83/59/1034318359.db2.gz GMVOHWFVCICUCB-WWGRRREGSA-N 2 2 310.844 3.956 20 0 DHADLP CC[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CC(F)F ZINC000880570246 1034362200 /nfs/dbraw/zinc/36/22/00/1034362200.db2.gz VDFFXCAYCKUDNV-HOCLYGCPSA-N 2 2 307.388 3.895 20 0 DHADLP CO[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC000880569486 1034364693 /nfs/dbraw/zinc/36/46/93/1034364693.db2.gz LXMJYNAUJISLRN-UXHICEINSA-N 2 2 321.424 3.602 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000481117087 1034590262 /nfs/dbraw/zinc/59/02/62/1034590262.db2.gz NUAQQEDQKNCDMS-HOCLYGCPSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000481117087 1034590277 /nfs/dbraw/zinc/59/02/77/1034590277.db2.gz NUAQQEDQKNCDMS-HOCLYGCPSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000481117087 1034590283 /nfs/dbraw/zinc/59/02/83/1034590283.db2.gz NUAQQEDQKNCDMS-HOCLYGCPSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000481117087 1034590299 /nfs/dbraw/zinc/59/02/99/1034590299.db2.gz NUAQQEDQKNCDMS-HOCLYGCPSA-N 2 2 313.445 3.553 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccnc2F)cc1 ZINC000794836156 1034599502 /nfs/dbraw/zinc/59/95/02/1034599502.db2.gz NRDSGTCPKJUCQP-CYBMUJFWSA-N 2 2 310.376 3.566 20 0 DHADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000162867826 1034713035 /nfs/dbraw/zinc/71/30/35/1034713035.db2.gz GOGKHLVJURNRCH-MRXNPFEDSA-N 2 2 313.445 3.942 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000481718077 1034952335 /nfs/dbraw/zinc/95/23/35/1034952335.db2.gz MAIDBGSZVUXDFB-QFBILLFUSA-N 2 2 310.441 3.909 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000481718077 1034952340 /nfs/dbraw/zinc/95/23/40/1034952340.db2.gz MAIDBGSZVUXDFB-QFBILLFUSA-N 2 2 310.441 3.909 20 0 DHADLP Cc1cn2cccc(NC3=CC[N@H+](Cc4ccccc4)CC3)c2[nH+]1 ZINC001175505283 1035013577 /nfs/dbraw/zinc/01/35/77/1035013577.db2.gz PNDGUIYNMJPOCI-UHFFFAOYSA-N 2 2 318.424 3.844 20 0 DHADLP Cc1cn2cccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)c2[nH+]1 ZINC001175505283 1035013583 /nfs/dbraw/zinc/01/35/83/1035013583.db2.gz PNDGUIYNMJPOCI-UHFFFAOYSA-N 2 2 318.424 3.844 20 0 DHADLP Clc1cccc(Cl)c1CCC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000482245679 1035071301 /nfs/dbraw/zinc/07/13/01/1035071301.db2.gz OUQGOEPVFOLRCF-GFCCVEGCSA-N 2 2 324.255 3.727 20 0 DHADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCSc1ccccc1Cl ZINC001175883020 1035137490 /nfs/dbraw/zinc/13/74/90/1035137490.db2.gz OHBCYHSHWIDYIG-CVEARBPZSA-N 2 2 324.921 3.991 20 0 DHADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCSc1ccccc1Cl ZINC001175883020 1035137494 /nfs/dbraw/zinc/13/74/94/1035137494.db2.gz OHBCYHSHWIDYIG-CVEARBPZSA-N 2 2 324.921 3.991 20 0 DHADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCSc1ccccc1Cl ZINC001175883020 1035137500 /nfs/dbraw/zinc/13/75/00/1035137500.db2.gz OHBCYHSHWIDYIG-CVEARBPZSA-N 2 2 324.921 3.991 20 0 DHADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCSc1ccccc1Cl ZINC001175883020 1035137503 /nfs/dbraw/zinc/13/75/03/1035137503.db2.gz OHBCYHSHWIDYIG-CVEARBPZSA-N 2 2 324.921 3.991 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC000482781052 1035179145 /nfs/dbraw/zinc/17/91/45/1035179145.db2.gz RLIZFXJCEMSFAI-XJKSGUPXSA-N 2 2 310.869 3.653 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC000482781052 1035179148 /nfs/dbraw/zinc/17/91/48/1035179148.db2.gz RLIZFXJCEMSFAI-XJKSGUPXSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC000482781052 1035179152 /nfs/dbraw/zinc/17/91/52/1035179152.db2.gz RLIZFXJCEMSFAI-XJKSGUPXSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC000482781052 1035179155 /nfs/dbraw/zinc/17/91/55/1035179155.db2.gz RLIZFXJCEMSFAI-XJKSGUPXSA-N 2 2 310.869 3.653 20 0 DHADLP Cc1cc(Nc2cc[nH+]c(NC(=O)OC(C)(C)C)c2)cc(C)[nH+]1 ZINC001176051660 1035197318 /nfs/dbraw/zinc/19/73/18/1035197318.db2.gz HSWJPFWSBXZVQJ-UHFFFAOYSA-N 2 2 314.389 3.606 20 0 DHADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001206269173 1035234820 /nfs/dbraw/zinc/23/48/20/1035234820.db2.gz FDZZANWFDAGCRI-CYBMUJFWSA-N 2 2 304.821 3.641 20 0 DHADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1 ZINC001206269173 1035234824 /nfs/dbraw/zinc/23/48/24/1035234824.db2.gz FDZZANWFDAGCRI-CYBMUJFWSA-N 2 2 304.821 3.641 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000483750571 1035295547 /nfs/dbraw/zinc/29/55/47/1035295547.db2.gz YPMVNCRYQYXUFI-KCQAQPDRSA-N 2 2 310.869 3.872 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000483750571 1035295553 /nfs/dbraw/zinc/29/55/53/1035295553.db2.gz YPMVNCRYQYXUFI-KCQAQPDRSA-N 2 2 310.869 3.872 20 0 DHADLP Cc1ccc(C[C@@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000484275314 1035327563 /nfs/dbraw/zinc/32/75/63/1035327563.db2.gz IBMWDLLKVPGLRS-LJQANCHMSA-N 2 2 309.457 3.803 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC001177065862 1035346216 /nfs/dbraw/zinc/34/62/16/1035346216.db2.gz GXOBYKRBVNOULH-CQSZACIVSA-N 2 2 300.368 3.588 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC001177065862 1035346220 /nfs/dbraw/zinc/34/62/20/1035346220.db2.gz GXOBYKRBVNOULH-CQSZACIVSA-N 2 2 300.368 3.588 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC001177061916 1035346274 /nfs/dbraw/zinc/34/62/74/1035346274.db2.gz WEBSHPHPUTUPQL-ZCNNSNEGSA-N 2 2 316.489 3.617 20 0 DHADLP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000484652588 1035384703 /nfs/dbraw/zinc/38/47/03/1035384703.db2.gz PIEGYSUMIFQNBK-RBUKOAKNSA-N 2 2 313.445 3.561 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001178581274 1035435373 /nfs/dbraw/zinc/43/53/73/1035435373.db2.gz IIKAJADMANXBTO-QGZVFWFLSA-N 2 2 318.505 3.728 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001178581274 1035435376 /nfs/dbraw/zinc/43/53/76/1035435376.db2.gz IIKAJADMANXBTO-QGZVFWFLSA-N 2 2 318.505 3.728 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(F)cc(F)c1 ZINC001204231281 1035452956 /nfs/dbraw/zinc/45/29/56/1035452956.db2.gz ZYLLIUCCTSYKQD-ROUUACIJSA-N 2 2 308.416 3.804 20 0 DHADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(F)cc(F)c1 ZINC001204231281 1035452960 /nfs/dbraw/zinc/45/29/60/1035452960.db2.gz ZYLLIUCCTSYKQD-ROUUACIJSA-N 2 2 308.416 3.804 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001204231281 1035452962 /nfs/dbraw/zinc/45/29/62/1035452962.db2.gz ZYLLIUCCTSYKQD-ROUUACIJSA-N 2 2 308.416 3.804 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001204231281 1035452967 /nfs/dbraw/zinc/45/29/67/1035452967.db2.gz ZYLLIUCCTSYKQD-ROUUACIJSA-N 2 2 308.416 3.804 20 0 DHADLP C([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001179314819 1035473525 /nfs/dbraw/zinc/47/35/25/1035473525.db2.gz GANCOIUNMFOTTP-CMKODMSKSA-N 2 2 320.521 3.578 20 0 DHADLP C([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC001179314819 1035473527 /nfs/dbraw/zinc/47/35/27/1035473527.db2.gz GANCOIUNMFOTTP-CMKODMSKSA-N 2 2 320.521 3.578 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(F)cc1Br ZINC000222911387 1035588929 /nfs/dbraw/zinc/58/89/29/1035588929.db2.gz SFXRBYQGYOCIFB-WDEREUQCSA-N 2 2 317.246 3.579 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906598781 1036029582 /nfs/dbraw/zinc/02/95/82/1036029582.db2.gz ZSUZWCVADGDZLW-MSOLQXFVSA-N 2 2 302.437 3.632 20 0 DHADLP c1cn(CCC[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000485906423 1036033393 /nfs/dbraw/zinc/03/33/93/1036033393.db2.gz KKHZOVQPFHRFLR-UFYCRDLUSA-N 2 2 309.457 3.931 20 0 DHADLP c1cn(CCC[N@H+]2C[C@@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000485906423 1036033408 /nfs/dbraw/zinc/03/34/08/1036033408.db2.gz KKHZOVQPFHRFLR-UFYCRDLUSA-N 2 2 309.457 3.931 20 0 DHADLP CC[C@@H](C)[C@@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)OC ZINC001182035127 1036080965 /nfs/dbraw/zinc/08/09/65/1036080965.db2.gz WTPXJDJPALBKMG-CXAGYDPISA-N 2 2 321.852 3.676 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C/C=C\c3ccncc3)C2)CC1 ZINC000495001020 1036175599 /nfs/dbraw/zinc/17/55/99/1036175599.db2.gz YYEVYDKPLSEFTB-AJQASEPBSA-N 2 2 313.489 3.539 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C/C=C\c3ccncc3)C2)CC1 ZINC000495001020 1036175609 /nfs/dbraw/zinc/17/56/09/1036175609.db2.gz YYEVYDKPLSEFTB-AJQASEPBSA-N 2 2 313.489 3.539 20 0 DHADLP C[C@H]([NH2+]CCCOc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000541082993 1036232856 /nfs/dbraw/zinc/23/28/56/1036232856.db2.gz QIYFZXPVVZGWPF-KRWDZBQOSA-N 2 2 321.424 3.992 20 0 DHADLP FC(F)(F)C1CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000774380805 1036306178 /nfs/dbraw/zinc/30/61/78/1036306178.db2.gz UKVCOGVOKPLCQE-SSDMNJCBSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)C1CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000774380805 1036306197 /nfs/dbraw/zinc/30/61/97/1036306197.db2.gz UKVCOGVOKPLCQE-SSDMNJCBSA-N 2 2 304.400 3.714 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168371621 1036390319 /nfs/dbraw/zinc/39/03/19/1036390319.db2.gz PMOZZZWQBUEQGR-KRWDZBQOSA-N 2 2 320.864 3.628 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@H]2c2ccccc2)s1 ZINC000348256960 1036395484 /nfs/dbraw/zinc/39/54/84/1036395484.db2.gz YRRUDNXRWZBSJU-KRWDZBQOSA-N 2 2 315.486 3.932 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@H]2c2ccccc2)s1 ZINC000348256960 1036395496 /nfs/dbraw/zinc/39/54/96/1036395496.db2.gz YRRUDNXRWZBSJU-KRWDZBQOSA-N 2 2 315.486 3.932 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001182635251 1036403619 /nfs/dbraw/zinc/40/36/19/1036403619.db2.gz YHSQYONWPXUXCT-ZTFGCOKTSA-N 2 2 306.881 3.878 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001182635251 1036403626 /nfs/dbraw/zinc/40/36/26/1036403626.db2.gz YHSQYONWPXUXCT-ZTFGCOKTSA-N 2 2 306.881 3.878 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000541908783 1036455372 /nfs/dbraw/zinc/45/53/72/1036455372.db2.gz XAGJBYVRBHOYEO-HNNXBMFYSA-N 2 2 318.461 3.938 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000541908783 1036455375 /nfs/dbraw/zinc/45/53/75/1036455375.db2.gz XAGJBYVRBHOYEO-HNNXBMFYSA-N 2 2 318.461 3.938 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC001183036585 1036503278 /nfs/dbraw/zinc/50/32/78/1036503278.db2.gz QZEKDJNEIJVWHE-UKBAYJJMSA-N 2 2 309.457 3.872 20 0 DHADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cscc1Cl ZINC001183065468 1036517547 /nfs/dbraw/zinc/51/75/47/1036517547.db2.gz LRWCEWSIJOLBHT-IUODEOHRSA-N 2 2 300.899 3.954 20 0 DHADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cscc1Cl ZINC001183065468 1036517554 /nfs/dbraw/zinc/51/75/54/1036517554.db2.gz LRWCEWSIJOLBHT-IUODEOHRSA-N 2 2 300.899 3.954 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000303057816 1036539770 /nfs/dbraw/zinc/53/97/70/1036539770.db2.gz XGWSCFFFIYEEMK-GOSISDBHSA-N 2 2 304.453 3.770 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000303057816 1036539777 /nfs/dbraw/zinc/53/97/77/1036539777.db2.gz XGWSCFFFIYEEMK-GOSISDBHSA-N 2 2 304.453 3.770 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001196631457 1036583507 /nfs/dbraw/zinc/58/35/07/1036583507.db2.gz GBEJTHTXUHCAGO-FSPWUOQZSA-N 2 2 324.415 3.623 20 0 DHADLP C[N@@H+]1C[C@]2(C)C[NH+](CCCc3ccccc3Cl)C[C@]2(C)C1 ZINC001196632042 1036584266 /nfs/dbraw/zinc/58/42/66/1036584266.db2.gz LMTYUCXSVUWBEV-HDICACEKSA-N 2 2 306.881 3.546 20 0 DHADLP C[N@H+]1C[C@]2(C)C[NH+](CCCc3ccccc3Cl)C[C@]2(C)C1 ZINC001196632042 1036584278 /nfs/dbraw/zinc/58/42/78/1036584278.db2.gz LMTYUCXSVUWBEV-HDICACEKSA-N 2 2 306.881 3.546 20 0 DHADLP C[NH+]1C[C@]2(C)C[N@H+](CCCc3ccccc3Cl)C[C@]2(C)C1 ZINC001196632042 1036584288 /nfs/dbraw/zinc/58/42/88/1036584288.db2.gz LMTYUCXSVUWBEV-HDICACEKSA-N 2 2 306.881 3.546 20 0 DHADLP C[NH+]1C[C@]2(C)C[N@@H+](CCCc3ccccc3Cl)C[C@]2(C)C1 ZINC001196632042 1036584296 /nfs/dbraw/zinc/58/42/96/1036584296.db2.gz LMTYUCXSVUWBEV-HDICACEKSA-N 2 2 306.881 3.546 20 0 DHADLP C[C@H]([NH2+]C/C=C/c1ccncc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000487286054 1036643455 /nfs/dbraw/zinc/64/34/55/1036643455.db2.gz DNCMEYSICMNPJF-CWDCEQMOSA-N 2 2 304.397 3.631 20 0 DHADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c(C)o1 ZINC001183697100 1036651951 /nfs/dbraw/zinc/65/19/51/1036651951.db2.gz PDRRJSCKJQLKAL-RTWAWAEBSA-N 2 2 324.468 3.850 20 0 DHADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c(C)o1 ZINC001183697100 1036651959 /nfs/dbraw/zinc/65/19/59/1036651959.db2.gz PDRRJSCKJQLKAL-RTWAWAEBSA-N 2 2 324.468 3.850 20 0 DHADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c(C)o1 ZINC001183697100 1036651973 /nfs/dbraw/zinc/65/19/73/1036651973.db2.gz PDRRJSCKJQLKAL-RTWAWAEBSA-N 2 2 324.468 3.850 20 0 DHADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c(C)o1 ZINC001183697100 1036651979 /nfs/dbraw/zinc/65/19/79/1036651979.db2.gz PDRRJSCKJQLKAL-RTWAWAEBSA-N 2 2 324.468 3.850 20 0 DHADLP CC[C@H](C)[C@@H](C)[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140162 1036950077 /nfs/dbraw/zinc/95/00/77/1036950077.db2.gz CUAKJAIZCXPTCC-RBUKOAKNSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@H](C)[C@@H](C)[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140162 1036950094 /nfs/dbraw/zinc/95/00/94/1036950094.db2.gz CUAKJAIZCXPTCC-RBUKOAKNSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@H](C)[C@@H](C)[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001198140162 1036950109 /nfs/dbraw/zinc/95/01/09/1036950109.db2.gz CUAKJAIZCXPTCC-RBUKOAKNSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@H](C)[C@@H](C)[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001198140162 1036950126 /nfs/dbraw/zinc/95/01/26/1036950126.db2.gz CUAKJAIZCXPTCC-RBUKOAKNSA-N 2 2 318.505 3.646 20 0 DHADLP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000236668798 1036971260 /nfs/dbraw/zinc/97/12/60/1036971260.db2.gz GECOFVNGQIURSR-UHFFFAOYSA-N 2 2 304.478 3.826 20 0 DHADLP Fc1ccc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)[nH]c2c1 ZINC000488347368 1036973766 /nfs/dbraw/zinc/97/37/66/1036973766.db2.gz MOVZBDBMNFZDGN-GOSISDBHSA-N 2 2 315.436 3.757 20 0 DHADLP Fc1ccc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)[nH]c2c1 ZINC000488347368 1036973783 /nfs/dbraw/zinc/97/37/83/1036973783.db2.gz MOVZBDBMNFZDGN-GOSISDBHSA-N 2 2 315.436 3.757 20 0 DHADLP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152241440 1036978888 /nfs/dbraw/zinc/97/88/88/1036978888.db2.gz ZVDLGCDZQOLQAS-CQSZACIVSA-N 2 2 303.475 3.882 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000237227933 1036996523 /nfs/dbraw/zinc/99/65/23/1036996523.db2.gz SXHMDQQQAHCSQJ-FUHWJXTLSA-N 2 2 306.494 3.582 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000237575259 1037018029 /nfs/dbraw/zinc/01/80/29/1037018029.db2.gz LJVSFQAWYOWMBC-APWZRJJASA-N 2 2 312.432 3.968 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000237575259 1037018055 /nfs/dbraw/zinc/01/80/55/1037018055.db2.gz LJVSFQAWYOWMBC-APWZRJJASA-N 2 2 312.432 3.968 20 0 DHADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CS1 ZINC000488446642 1037029035 /nfs/dbraw/zinc/02/90/35/1037029035.db2.gz UPQLBSUBIAREFJ-ZWKOTPCHSA-N 2 2 315.486 3.551 20 0 DHADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001198900410 1037155301 /nfs/dbraw/zinc/15/53/01/1037155301.db2.gz IAWKKZUATXVFKL-CTWPCTMYSA-N 2 2 324.553 3.785 20 0 DHADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001198900410 1037155309 /nfs/dbraw/zinc/15/53/09/1037155309.db2.gz IAWKKZUATXVFKL-CTWPCTMYSA-N 2 2 324.553 3.785 20 0 DHADLP CCC(CC)C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001199078485 1037195804 /nfs/dbraw/zinc/19/58/04/1037195804.db2.gz QNKUEZAKBUVVQW-UHFFFAOYSA-N 2 2 317.521 3.533 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)CC[N@@H+]1C ZINC000310105640 1037210500 /nfs/dbraw/zinc/21/05/00/1037210500.db2.gz PCCXCWJHECPRMF-PXNSSMCTSA-N 2 2 324.468 3.838 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)CC[N@H+]1C ZINC000310105640 1037210511 /nfs/dbraw/zinc/21/05/11/1037210511.db2.gz PCCXCWJHECPRMF-PXNSSMCTSA-N 2 2 324.468 3.838 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000488968627 1037214058 /nfs/dbraw/zinc/21/40/58/1037214058.db2.gz ANNGMXCFUCLIKF-OAHLLOKOSA-N 2 2 315.288 3.952 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2cc(Cl)ccc2Cl)CC1 ZINC000488968627 1037214079 /nfs/dbraw/zinc/21/40/79/1037214079.db2.gz ANNGMXCFUCLIKF-OAHLLOKOSA-N 2 2 315.288 3.952 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC001199294838 1037236314 /nfs/dbraw/zinc/23/63/14/1037236314.db2.gz AWOVZDYBEGBCBA-JYBIWHBTSA-N 2 2 322.537 3.824 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC001199294838 1037236327 /nfs/dbraw/zinc/23/63/27/1037236327.db2.gz AWOVZDYBEGBCBA-JYBIWHBTSA-N 2 2 322.537 3.824 20 0 DHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001205914163 1037578221 /nfs/dbraw/zinc/57/82/21/1037578221.db2.gz LHFHELSJPQMATD-VHSXEESVSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001205914163 1037578228 /nfs/dbraw/zinc/57/82/28/1037578228.db2.gz LHFHELSJPQMATD-VHSXEESVSA-N 2 2 322.321 3.543 20 0 DHADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000493889393 1037582380 /nfs/dbraw/zinc/58/23/80/1037582380.db2.gz VBGDYDYPWVHWBS-JXFKEZNVSA-N 2 2 321.424 3.738 20 0 DHADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC001235925187 1037592975 /nfs/dbraw/zinc/59/29/75/1037592975.db2.gz KVQUIYYFPWNGNH-LBPRGKRZSA-N 2 2 306.759 3.672 20 0 DHADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC001235925187 1037592986 /nfs/dbraw/zinc/59/29/86/1037592986.db2.gz KVQUIYYFPWNGNH-LBPRGKRZSA-N 2 2 306.759 3.672 20 0 DHADLP CCCc1csc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000494195806 1037676155 /nfs/dbraw/zinc/67/61/55/1037676155.db2.gz RPYRSEZHJPCIMS-GJZGRUSLSA-N 2 2 321.534 3.838 20 0 DHADLP CCCc1csc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000494195806 1037676163 /nfs/dbraw/zinc/67/61/63/1037676163.db2.gz RPYRSEZHJPCIMS-GJZGRUSLSA-N 2 2 321.534 3.838 20 0 DHADLP C[C@H]([NH2+]Cc1cc(O)cc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000185559870 1037816532 /nfs/dbraw/zinc/81/65/32/1037816532.db2.gz MJGLWOOOTYAIKR-ZDUSSCGKSA-N 2 2 311.360 3.568 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCSCC1 ZINC000187208001 1037952867 /nfs/dbraw/zinc/95/28/67/1037952867.db2.gz GABOUKOPPSJPJX-LPHOPBHVSA-N 2 2 318.530 3.772 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCSCC1 ZINC000187208001 1037952878 /nfs/dbraw/zinc/95/28/78/1037952878.db2.gz GABOUKOPPSJPJX-LPHOPBHVSA-N 2 2 318.530 3.772 20 0 DHADLP C[C@H]([NH2+]CCOc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000126887394 1038133126 /nfs/dbraw/zinc/13/31/26/1038133126.db2.gz SBEVIIMSEXMJSM-INIZCTEOSA-N 2 2 307.397 3.602 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC001205541958 1038381658 /nfs/dbraw/zinc/38/16/58/1038381658.db2.gz VIAQCMHSPNKFCB-UHFFFAOYSA-N 2 2 312.860 3.733 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC001205541958 1038381670 /nfs/dbraw/zinc/38/16/70/1038381670.db2.gz VIAQCMHSPNKFCB-UHFFFAOYSA-N 2 2 312.860 3.733 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393196 1038930922 /nfs/dbraw/zinc/93/09/22/1038930922.db2.gz UNSXVEQEYPBFSR-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393196 1038930938 /nfs/dbraw/zinc/93/09/38/1038930938.db2.gz UNSXVEQEYPBFSR-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393196 1038930946 /nfs/dbraw/zinc/93/09/46/1038930946.db2.gz UNSXVEQEYPBFSR-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393196 1038930956 /nfs/dbraw/zinc/93/09/56/1038930956.db2.gz UNSXVEQEYPBFSR-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000604773262 1039534125 /nfs/dbraw/zinc/53/41/25/1039534125.db2.gz UIPDIXBTYHKWBM-WIYYLYMNSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000604773262 1039534181 /nfs/dbraw/zinc/53/41/81/1039534181.db2.gz UIPDIXBTYHKWBM-WIYYLYMNSA-N 2 2 323.484 3.699 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC[N@@H+]1C ZINC000608061399 1040358254 /nfs/dbraw/zinc/35/82/54/1040358254.db2.gz SWMVPOKMTVTYQI-STQMWFEESA-N 2 2 320.383 3.797 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC[N@H+]1C ZINC000608061399 1040358267 /nfs/dbraw/zinc/35/82/67/1040358267.db2.gz SWMVPOKMTVTYQI-STQMWFEESA-N 2 2 320.383 3.797 20 0 DHADLP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000608495454 1040527696 /nfs/dbraw/zinc/52/76/96/1040527696.db2.gz RWQZRYSOBAGMIE-QGZVFWFLSA-N 2 2 322.412 3.684 20 0 DHADLP Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000608495454 1040527708 /nfs/dbraw/zinc/52/77/08/1040527708.db2.gz RWQZRYSOBAGMIE-QGZVFWFLSA-N 2 2 322.412 3.684 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(O)c1 ZINC000669615329 1040784850 /nfs/dbraw/zinc/78/48/50/1040784850.db2.gz LJUCTOMDLCFYSO-BEFAXECRSA-N 2 2 321.424 3.760 20 0 DHADLP Cn1cc[nH+]c1CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000096970697 185394566 /nfs/dbraw/zinc/39/45/66/185394566.db2.gz XZPHEYWKFFDHLO-UHFFFAOYSA-N 2 2 312.461 3.797 20 0 DHADLP Cn1cc[nH+]c1CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000096970697 185394567 /nfs/dbraw/zinc/39/45/67/185394567.db2.gz XZPHEYWKFFDHLO-UHFFFAOYSA-N 2 2 312.461 3.797 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000090667217 185308445 /nfs/dbraw/zinc/30/84/45/185308445.db2.gz LCTDZZPRGWTEMB-KKSFZXQISA-N 2 2 321.468 3.884 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2sccc2Br)c2ccccc21 ZINC000132185504 334940783 /nfs/dbraw/zinc/94/07/83/334940783.db2.gz AOEJRPUQKHJKKG-QWHCGFSZSA-N 2 2 323.259 3.745 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)C)C1)c1ccccc1 ZINC000320423653 335000015 /nfs/dbraw/zinc/00/00/15/335000015.db2.gz JZSHBGZRIRUYBV-XUVXKRRUSA-N 2 2 318.505 3.863 20 0 DHADLP CSc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000563789846 335014773 /nfs/dbraw/zinc/01/47/73/335014773.db2.gz AQMHUEGIQBIJLQ-AWEZNQCLSA-N 2 2 310.532 3.778 20 0 DHADLP CSc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000563789846 335014775 /nfs/dbraw/zinc/01/47/75/335014775.db2.gz AQMHUEGIQBIJLQ-AWEZNQCLSA-N 2 2 310.532 3.778 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccc1Br ZINC000019905787 182163189 /nfs/dbraw/zinc/16/31/89/182163189.db2.gz HDPSYSPASUOFEM-GFCCVEGCSA-N 2 2 313.283 3.688 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019959923 182169985 /nfs/dbraw/zinc/16/99/85/182169985.db2.gz FEQBXMDYJHIGDM-WFASDCNBSA-N 2 2 311.267 3.584 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019959923 182169987 /nfs/dbraw/zinc/16/99/87/182169987.db2.gz FEQBXMDYJHIGDM-WFASDCNBSA-N 2 2 311.267 3.584 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000019959903 182170039 /nfs/dbraw/zinc/17/00/39/182170039.db2.gz XRLDKPLOLFVSPW-SWLSCSKDSA-N 2 2 311.267 3.584 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000019959903 182170042 /nfs/dbraw/zinc/17/00/42/182170042.db2.gz XRLDKPLOLFVSPW-SWLSCSKDSA-N 2 2 311.267 3.584 20 0 DHADLP Fc1ccccc1C[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000165722238 335045732 /nfs/dbraw/zinc/04/57/32/335045732.db2.gz HUSUTEANZCDUGK-UHFFFAOYSA-N 2 2 302.437 3.568 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cscn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272377663 130023955 /nfs/dbraw/zinc/02/39/55/130023955.db2.gz VQFZYXXKJLEUOH-HLLBOEOZSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cscn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272377663 130023957 /nfs/dbraw/zinc/02/39/57/130023957.db2.gz VQFZYXXKJLEUOH-HLLBOEOZSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000273015695 130082499 /nfs/dbraw/zinc/08/24/99/130082499.db2.gz YKJPOORKBHPQBS-GOEBONIOSA-N 2 2 301.409 3.750 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000273015695 130082504 /nfs/dbraw/zinc/08/25/04/130082504.db2.gz YKJPOORKBHPQBS-GOEBONIOSA-N 2 2 301.409 3.750 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OC(C)(C)C)cc1 ZINC000274284099 130223290 /nfs/dbraw/zinc/22/32/90/130223290.db2.gz KNKJDOMNRQXHPN-LSDHHAIUSA-N 2 2 301.434 3.800 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC000274848187 130267490 /nfs/dbraw/zinc/26/74/90/130267490.db2.gz QKHJLZUHGABTDR-CJKKJBIBSA-N 2 2 313.272 3.806 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC000274848187 130267493 /nfs/dbraw/zinc/26/74/93/130267493.db2.gz QKHJLZUHGABTDR-CJKKJBIBSA-N 2 2 313.272 3.806 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000278871206 130724043 /nfs/dbraw/zinc/72/40/43/130724043.db2.gz GEWOTLPMEFFXOV-IEBWSBKVSA-N 3 2 315.505 3.565 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000278871206 130724044 /nfs/dbraw/zinc/72/40/44/130724044.db2.gz GEWOTLPMEFFXOV-IEBWSBKVSA-N 3 2 315.505 3.565 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000340181897 131012954 /nfs/dbraw/zinc/01/29/54/131012954.db2.gz JVWWKDSJACAFJE-BBWFWOEESA-N 2 2 316.489 3.714 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000340181897 131012955 /nfs/dbraw/zinc/01/29/55/131012955.db2.gz JVWWKDSJACAFJE-BBWFWOEESA-N 2 2 316.489 3.714 20 0 DHADLP FC(F)(F)c1cccc([C@H]2CCC[C@@H]2[NH2+]CCn2cc[nH+]c2)c1 ZINC000284396066 131077686 /nfs/dbraw/zinc/07/76/86/131077686.db2.gz PKVAVRKLJJUWBN-CVEARBPZSA-N 2 2 323.362 3.828 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000287473844 131282270 /nfs/dbraw/zinc/28/22/70/131282270.db2.gz WOVGOESUKFFSRP-SQGPQFPESA-N 2 2 309.457 3.704 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000287473844 131282271 /nfs/dbraw/zinc/28/22/71/131282271.db2.gz WOVGOESUKFFSRP-SQGPQFPESA-N 2 2 309.457 3.704 20 0 DHADLP Cc1csc(C2([NH2+]CCCc3c[nH+]ccc3C)CCC2)n1 ZINC000289234177 131367895 /nfs/dbraw/zinc/36/78/95/131367895.db2.gz KKYOASAYPJOSTD-UHFFFAOYSA-N 2 2 301.459 3.757 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000295866961 131926175 /nfs/dbraw/zinc/92/61/75/131926175.db2.gz AEZRMZNFLZWXCM-KRWDZBQOSA-N 2 2 318.486 3.734 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000297139993 132001703 /nfs/dbraw/zinc/00/17/03/132001703.db2.gz ZKBVZHSQTFWRQO-OAHLLOKOSA-N 2 2 301.821 3.648 20 0 DHADLP Cc1ccc(C)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000298385072 132060141 /nfs/dbraw/zinc/06/01/41/132060141.db2.gz DYDXSPQWQHCNEO-UHFFFAOYSA-N 2 2 305.425 3.838 20 0 DHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1cc[nH+]c(N)c1 ZINC000299604517 132113239 /nfs/dbraw/zinc/11/32/39/132113239.db2.gz ISMMYGPJZLQYOO-GFCCVEGCSA-N 2 2 304.463 3.745 20 0 DHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1cc[nH+]c(N)c1 ZINC000299604517 132113241 /nfs/dbraw/zinc/11/32/41/132113241.db2.gz ISMMYGPJZLQYOO-GFCCVEGCSA-N 2 2 304.463 3.745 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163839748 132124937 /nfs/dbraw/zinc/12/49/37/132124937.db2.gz BZNWTFMZIXGCAV-CQSZACIVSA-N 2 2 301.459 3.956 20 0 DHADLP c1ccc(NCCC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)[nH+]c1 ZINC000163836599 132125142 /nfs/dbraw/zinc/12/51/42/132125142.db2.gz PRFCGBZVBWAGJS-QGZVFWFLSA-N 2 2 323.440 3.920 20 0 DHADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000343321708 335079405 /nfs/dbraw/zinc/07/94/05/335079405.db2.gz OMBHYYQUQJREML-QZTJIDSGSA-N 2 2 319.493 3.723 20 0 DHADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000343321708 335079406 /nfs/dbraw/zinc/07/94/06/335079406.db2.gz OMBHYYQUQJREML-QZTJIDSGSA-N 2 2 319.493 3.723 20 0 DHADLP CCc1cc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nc[nH+]1 ZINC000603381665 435334889 /nfs/dbraw/zinc/33/48/89/435334889.db2.gz GZUDKEXLHGXSFF-MRXNPFEDSA-N 2 2 324.472 3.883 20 0 DHADLP CCc1cc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nc[nH+]1 ZINC000603381665 435334895 /nfs/dbraw/zinc/33/48/95/435334895.db2.gz GZUDKEXLHGXSFF-MRXNPFEDSA-N 2 2 324.472 3.883 20 0 DHADLP CC[NH+](CC)CC1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000530934214 331637190 /nfs/dbraw/zinc/63/71/90/331637190.db2.gz ZNHNJFCNCSLSBV-UHFFFAOYSA-N 2 2 315.383 3.659 20 0 DHADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Cl)c(F)c1 ZINC000556610813 331719989 /nfs/dbraw/zinc/71/99/89/331719989.db2.gz LEIRICXNZZDTGS-NSHDSACASA-N 2 2 307.800 3.863 20 0 DHADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)CCCC2 ZINC000556610952 331720091 /nfs/dbraw/zinc/72/00/91/331720091.db2.gz VSYQAOUJKSREKN-MJGOQNOKSA-N 2 2 309.457 3.720 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000087759119 331792016 /nfs/dbraw/zinc/79/20/16/331792016.db2.gz HYGPIJBERPCCKX-UHFFFAOYSA-N 2 2 301.261 3.957 20 0 DHADLP Fc1ccc2c(cc[nH+]c2N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000569335334 331813370 /nfs/dbraw/zinc/81/33/70/331813370.db2.gz OZKNPZLUVBWGST-UHFFFAOYSA-N 2 2 313.420 3.686 20 0 DHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261725555 331835763 /nfs/dbraw/zinc/83/57/63/331835763.db2.gz RCWIFVKUZBFVOR-SFTDATJTSA-N 3 2 323.484 3.763 20 0 DHADLP C/C=C\COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000558255355 331888005 /nfs/dbraw/zinc/88/80/05/331888005.db2.gz LRKUZWFHTRGNFN-SEDCNLEPSA-N 2 2 304.478 3.502 20 0 DHADLP Clc1ccccc1C[NH+]1CCC([NH2+]C2(C3CC3)CC2)CC1 ZINC000539656521 331964814 /nfs/dbraw/zinc/96/48/14/331964814.db2.gz AAKUGWSIUUCWLU-UHFFFAOYSA-N 2 2 304.865 3.837 20 0 DHADLP CC[C@@H](C[NH2+]Cc1sccc1C)[N@@H+]1CCc2ccccc2C1 ZINC000518269973 332003484 /nfs/dbraw/zinc/00/34/84/332003484.db2.gz SISUUTITRVAFJP-SFHVURJKSA-N 2 2 314.498 3.983 20 0 DHADLP CC[C@@H](C[NH2+]Cc1sccc1C)[N@H+]1CCc2ccccc2C1 ZINC000518269973 332003485 /nfs/dbraw/zinc/00/34/85/332003485.db2.gz SISUUTITRVAFJP-SFHVURJKSA-N 2 2 314.498 3.983 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)n1C ZINC000521069566 332016032 /nfs/dbraw/zinc/01/60/32/332016032.db2.gz NKFKLUVOLJGNRM-MRXNPFEDSA-N 2 2 307.800 3.762 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)n1C ZINC000569379397 332068800 /nfs/dbraw/zinc/06/88/00/332068800.db2.gz BENZURMAYMLSBS-UHFFFAOYSA-N 2 2 311.351 3.772 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OCC2CC2)CC1 ZINC000092165754 332114283 /nfs/dbraw/zinc/11/42/83/332114283.db2.gz DPFHXAKWIJVAQV-UHFFFAOYSA-N 2 2 316.489 3.782 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OCC2CC2)CC1 ZINC000092165754 332114284 /nfs/dbraw/zinc/11/42/84/332114284.db2.gz DPFHXAKWIJVAQV-UHFFFAOYSA-N 2 2 316.489 3.782 20 0 DHADLP CCCc1csc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000426422615 332149139 /nfs/dbraw/zinc/14/91/39/332149139.db2.gz VSFTYBAKAIREOP-YOEHRIQHSA-N 2 2 319.518 3.544 20 0 DHADLP CCCc1csc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000426422615 332149141 /nfs/dbraw/zinc/14/91/41/332149141.db2.gz VSFTYBAKAIREOP-YOEHRIQHSA-N 2 2 319.518 3.544 20 0 DHADLP CCCc1csc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000426422615 332149143 /nfs/dbraw/zinc/14/91/43/332149143.db2.gz VSFTYBAKAIREOP-YOEHRIQHSA-N 2 2 319.518 3.544 20 0 DHADLP CCCc1csc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000426422615 332149144 /nfs/dbraw/zinc/14/91/44/332149144.db2.gz VSFTYBAKAIREOP-YOEHRIQHSA-N 2 2 319.518 3.544 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427135809 332168463 /nfs/dbraw/zinc/16/84/63/332168463.db2.gz LBBODCZSBOOHBN-YLJYHZDGSA-N 2 2 324.468 3.811 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427135809 332168465 /nfs/dbraw/zinc/16/84/65/332168465.db2.gz LBBODCZSBOOHBN-YLJYHZDGSA-N 2 2 324.468 3.811 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448024026 332189682 /nfs/dbraw/zinc/18/96/82/332189682.db2.gz WBOAORNSOBITGV-CXAGYDPISA-N 2 2 302.393 3.516 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448024026 332189683 /nfs/dbraw/zinc/18/96/83/332189683.db2.gz WBOAORNSOBITGV-CXAGYDPISA-N 2 2 302.393 3.516 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448024028 332189749 /nfs/dbraw/zinc/18/97/49/332189749.db2.gz WBOAORNSOBITGV-GUYCJALGSA-N 2 2 302.393 3.516 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448024028 332189751 /nfs/dbraw/zinc/18/97/51/332189751.db2.gz WBOAORNSOBITGV-GUYCJALGSA-N 2 2 302.393 3.516 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@H](C)C1 ZINC000448026883 332195648 /nfs/dbraw/zinc/19/56/48/332195648.db2.gz KHKDMXCPKBGTFR-KDOFPFPSSA-N 2 2 316.420 3.906 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@H](C)C1 ZINC000448026883 332195650 /nfs/dbraw/zinc/19/56/50/332195650.db2.gz KHKDMXCPKBGTFR-KDOFPFPSSA-N 2 2 316.420 3.906 20 0 DHADLP Cc1ccc(C2CC[NH+]([C@H](C)c3nc(C4CC4)no3)CC2)c[nH+]1 ZINC000363672038 332217187 /nfs/dbraw/zinc/21/71/87/332217187.db2.gz LSOFSDADXPRDFA-CYBMUJFWSA-N 2 2 312.417 3.591 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)C[N@@H+]1C1CC1 ZINC000536495356 332253405 /nfs/dbraw/zinc/25/34/05/332253405.db2.gz AQPHAFZGXBGUBX-MRAWALMUSA-N 2 2 304.865 3.932 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)C[N@H+]1C1CC1 ZINC000536495356 332253407 /nfs/dbraw/zinc/25/34/07/332253407.db2.gz AQPHAFZGXBGUBX-MRAWALMUSA-N 2 2 304.865 3.932 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(CC(C)C)s1)CCC2 ZINC000370859887 332270995 /nfs/dbraw/zinc/27/09/95/332270995.db2.gz GMJQEEMLHUAARY-CQSZACIVSA-N 2 2 318.490 3.514 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC1(C)C ZINC000559913218 332292341 /nfs/dbraw/zinc/29/23/41/332292341.db2.gz GYYGECZFOXMNSE-LMMKCTJWSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC1(C)C ZINC000559913218 332292342 /nfs/dbraw/zinc/29/23/42/332292342.db2.gz GYYGECZFOXMNSE-LMMKCTJWSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC1(C)C ZINC000559913219 332292451 /nfs/dbraw/zinc/29/24/51/332292451.db2.gz GYYGECZFOXMNSE-ZHALLVOQSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC1(C)C ZINC000559913219 332292452 /nfs/dbraw/zinc/29/24/52/332292452.db2.gz GYYGECZFOXMNSE-ZHALLVOQSA-N 2 2 315.505 3.708 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152871242 332329940 /nfs/dbraw/zinc/32/99/40/332329940.db2.gz LRZBLSJNHYDWCE-QAPCUYQASA-N 2 2 309.457 3.908 20 0 DHADLP Cc1nc2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2s1 ZINC000426079318 335101507 /nfs/dbraw/zinc/10/15/07/335101507.db2.gz PCJCOGWRPREPQM-UHFFFAOYSA-N 2 2 315.486 3.665 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+]CCCCn1cc[nH+]c1 ZINC000560467527 332342465 /nfs/dbraw/zinc/34/24/65/332342465.db2.gz JRWQOYXBTMNCNX-LGMDPLHJSA-N 2 2 313.445 3.503 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+]CC1CCC(c3ccccc3)CC1)CC2 ZINC000561955090 332522157 /nfs/dbraw/zinc/52/21/57/332522157.db2.gz USLOROYBXIVCQA-NKELODKYSA-N 2 2 309.457 3.762 20 0 DHADLP Fc1ccc(C2=CC[C@@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000427870694 332551379 /nfs/dbraw/zinc/55/13/79/332551379.db2.gz IZEOPMURHWPTGI-MSOLQXFVSA-N 2 2 311.404 3.563 20 0 DHADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427878920 332552675 /nfs/dbraw/zinc/55/26/75/332552675.db2.gz RMRAVIMAJWSIMN-ZIAGYGMSSA-N 2 2 309.413 3.857 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000225267451 332660232 /nfs/dbraw/zinc/66/02/32/332660232.db2.gz FDWROFSKCJBWPH-SNVBAGLBSA-N 2 2 319.674 3.532 20 0 DHADLP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000225304359 332670926 /nfs/dbraw/zinc/67/09/26/332670926.db2.gz UTSKIJLLKNPYLO-UHFFFAOYSA-N 2 2 323.893 3.928 20 0 DHADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ncoc1-c1ccccc1 ZINC000563880540 335114515 /nfs/dbraw/zinc/11/45/15/335114515.db2.gz RPOGTBOLOHKTJB-WBVHZDCISA-N 2 2 313.445 3.742 20 0 DHADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ncoc1-c1ccccc1 ZINC000563880539 335114608 /nfs/dbraw/zinc/11/46/08/335114608.db2.gz RPOGTBOLOHKTJB-RDJZCZTQSA-N 2 2 313.445 3.742 20 0 DHADLP C[NH+](C)C1CC([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000516663317 333120386 /nfs/dbraw/zinc/12/03/86/333120386.db2.gz LDYYLRKBPLWQOF-UHFFFAOYSA-N 2 2 321.877 3.646 20 0 DHADLP CCCOc1cccc2c(N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc[nH+]c12 ZINC000497260929 333229232 /nfs/dbraw/zinc/22/92/32/333229232.db2.gz KNOKMXRWIUOTTK-GJZGRUSLSA-N 2 2 313.445 3.918 20 0 DHADLP CCCOc1cccc2c(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc[nH+]c12 ZINC000497260929 333229234 /nfs/dbraw/zinc/22/92/34/333229234.db2.gz KNOKMXRWIUOTTK-GJZGRUSLSA-N 2 2 313.445 3.918 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000500434116 333241971 /nfs/dbraw/zinc/24/19/71/333241971.db2.gz PSKPHBONZXGBGQ-YJBOKZPZSA-N 2 2 322.443 3.922 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000500434116 333241972 /nfs/dbraw/zinc/24/19/72/333241972.db2.gz PSKPHBONZXGBGQ-YJBOKZPZSA-N 2 2 322.443 3.922 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cncc(F)c1 ZINC000119125214 333244897 /nfs/dbraw/zinc/24/48/97/333244897.db2.gz FROJUIMFZFWSCX-HNAYVOBHSA-N 2 2 313.420 3.536 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cncc(F)c1 ZINC000119125214 333244899 /nfs/dbraw/zinc/24/48/99/333244899.db2.gz FROJUIMFZFWSCX-HNAYVOBHSA-N 2 2 313.420 3.536 20 0 DHADLP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497393564 333245354 /nfs/dbraw/zinc/24/53/54/333245354.db2.gz UZYOFBRGHNMCFD-DBVUQKKJSA-N 2 2 321.468 3.832 20 0 DHADLP C[C@@H]([NH2+]CCc1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120141763 333275899 /nfs/dbraw/zinc/27/58/99/333275899.db2.gz RXNPEFDQBFXIES-OAHLLOKOSA-N 2 2 309.388 3.905 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261927468 333290377 /nfs/dbraw/zinc/29/03/77/333290377.db2.gz IZMCUSINRBRJMG-GXTWGEPZSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261927468 333290379 /nfs/dbraw/zinc/29/03/79/333290379.db2.gz IZMCUSINRBRJMG-GXTWGEPZSA-N 2 2 319.836 3.554 20 0 DHADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1C ZINC000499668826 333295418 /nfs/dbraw/zinc/29/54/18/333295418.db2.gz GAISXZXZNJIUEP-SUMWQHHRSA-N 2 2 311.473 3.808 20 0 DHADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1C ZINC000499668826 333295420 /nfs/dbraw/zinc/29/54/20/333295420.db2.gz GAISXZXZNJIUEP-SUMWQHHRSA-N 2 2 311.473 3.808 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000502501276 333301088 /nfs/dbraw/zinc/30/10/88/333301088.db2.gz LHGFBGMTACBESK-RBUKOAKNSA-N 2 2 322.537 3.828 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000390581608 333303763 /nfs/dbraw/zinc/30/37/63/333303763.db2.gz IODZUYIANWBXCT-KKSFZXQISA-N 2 2 324.468 3.793 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000390581608 333303764 /nfs/dbraw/zinc/30/37/64/333303764.db2.gz IODZUYIANWBXCT-KKSFZXQISA-N 2 2 324.468 3.793 20 0 DHADLP c1csc(-c2cnc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)o2)c1 ZINC000531188760 333319550 /nfs/dbraw/zinc/31/95/50/333319550.db2.gz RZMXOBHGDXIQHD-UHFFFAOYSA-N 2 2 314.414 3.506 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccsc2Br)c2ccccc21 ZINC000388566404 333357900 /nfs/dbraw/zinc/35/79/00/333357900.db2.gz UUYMMGFRVBRWSI-OLZOCXBDSA-N 2 2 323.259 3.745 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)Cc1ccccc1F ZINC000186712616 333377077 /nfs/dbraw/zinc/37/70/77/333377077.db2.gz VQQYNAKWOCQXPZ-CQSZACIVSA-N 2 2 311.404 3.705 20 0 DHADLP c1cncc(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000563131645 333395417 /nfs/dbraw/zinc/39/54/17/333395417.db2.gz BFVWMHMYCGWIMZ-LEWJYISDSA-N 2 2 321.468 3.855 20 0 DHADLP c1cncc(-c2cccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)c1 ZINC000563131645 333395419 /nfs/dbraw/zinc/39/54/19/333395419.db2.gz BFVWMHMYCGWIMZ-LEWJYISDSA-N 2 2 321.468 3.855 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000390850479 333399574 /nfs/dbraw/zinc/39/95/74/333399574.db2.gz HRBAMFWPMWZSBR-LJQANCHMSA-N 2 2 312.457 3.978 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000390850479 333399575 /nfs/dbraw/zinc/39/95/75/333399575.db2.gz HRBAMFWPMWZSBR-LJQANCHMSA-N 2 2 312.457 3.978 20 0 DHADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000531692672 333546007 /nfs/dbraw/zinc/54/60/07/333546007.db2.gz UWNAPEXVRLEPAK-TXPKVOOTSA-N 2 2 304.478 3.856 20 0 DHADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000563571233 333626551 /nfs/dbraw/zinc/62/65/51/333626551.db2.gz MQEUSERBRFNHGX-MGPUTAFESA-N 2 2 314.473 3.895 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)c1 ZINC000414125119 333898613 /nfs/dbraw/zinc/89/86/13/333898613.db2.gz MDRPJFLQIZWSRF-HNNXBMFYSA-N 2 2 310.228 3.547 20 0 DHADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414128491 333899199 /nfs/dbraw/zinc/89/91/99/333899199.db2.gz SGTAFGSHMVAKSU-AWEZNQCLSA-N 2 2 323.893 3.777 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000414128721 333899717 /nfs/dbraw/zinc/89/97/17/333899717.db2.gz SLKINPKVPFOFPV-RDJZCZTQSA-N 2 2 317.864 3.932 20 0 DHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1C[C@@H]1C ZINC000414113621 333905401 /nfs/dbraw/zinc/90/54/01/333905401.db2.gz KXJUAHYWDZVVFN-BMFAXAFESA-N 2 2 316.489 3.521 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000414196441 333912597 /nfs/dbraw/zinc/91/25/97/333912597.db2.gz OWOSFWDVPSBXKV-GOEBONIOSA-N 2 2 318.427 3.819 20 0 DHADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC(F)(F)F ZINC000414279742 333932777 /nfs/dbraw/zinc/93/27/77/333932777.db2.gz JTJKBKCQDVXMKG-SNVBAGLBSA-N 2 2 320.321 3.581 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414548673 334015242 /nfs/dbraw/zinc/01/52/42/334015242.db2.gz YGGLGQYAQDFSAT-NSHDSACASA-N 2 2 306.759 3.543 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000414548673 334015244 /nfs/dbraw/zinc/01/52/44/334015244.db2.gz YGGLGQYAQDFSAT-NSHDSACASA-N 2 2 306.759 3.543 20 0 DHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2c[nH+]c3ccc(C)cn23)c1 ZINC000414559011 334017490 /nfs/dbraw/zinc/01/74/90/334017490.db2.gz UBVQZAFACXQQKP-LPHOPBHVSA-N 2 2 321.424 3.545 20 0 DHADLP COc1ccc2ccccc2c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271206241 334020101 /nfs/dbraw/zinc/02/01/01/334020101.db2.gz SDUBFNTUMKHMHB-UHFFFAOYSA-N 2 2 321.424 3.951 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000271380856 334022582 /nfs/dbraw/zinc/02/25/82/334022582.db2.gz IHYCZUATOJVQBN-PXNSSMCTSA-N 2 2 309.457 3.878 20 0 DHADLP CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000272968471 334041452 /nfs/dbraw/zinc/04/14/52/334041452.db2.gz BSXPLRYWCBRTCL-ZDUSSCGKSA-N 2 2 324.428 3.890 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000414657952 334059844 /nfs/dbraw/zinc/05/98/44/334059844.db2.gz PLVANQNXRXTAIG-SFHVURJKSA-N 2 2 310.441 3.594 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000414657952 334059845 /nfs/dbraw/zinc/05/98/45/334059845.db2.gz PLVANQNXRXTAIG-SFHVURJKSA-N 2 2 310.441 3.594 20 0 DHADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000414711051 334072329 /nfs/dbraw/zinc/07/23/29/334072329.db2.gz RWNHFIBBDQGVOY-AWEZNQCLSA-N 2 2 321.534 3.589 20 0 DHADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000414711051 334072330 /nfs/dbraw/zinc/07/23/30/334072330.db2.gz RWNHFIBBDQGVOY-AWEZNQCLSA-N 2 2 321.534 3.589 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000276477141 334079489 /nfs/dbraw/zinc/07/94/89/334079489.db2.gz RLFHWEDPZCRSCT-UHFFFAOYSA-N 2 2 313.445 3.685 20 0 DHADLP Cc1c([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cnn1C(C)(C)C ZINC000276566158 334082071 /nfs/dbraw/zinc/08/20/71/334082071.db2.gz SKZXOWHAQISTHH-CQSZACIVSA-N 2 2 300.450 3.543 20 0 DHADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000414756955 334086272 /nfs/dbraw/zinc/08/62/72/334086272.db2.gz WGERRCRGWIBGCH-CYBMUJFWSA-N 2 2 320.786 3.933 20 0 DHADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000414756955 334086274 /nfs/dbraw/zinc/08/62/74/334086274.db2.gz WGERRCRGWIBGCH-CYBMUJFWSA-N 2 2 320.786 3.933 20 0 DHADLP Clc1cccc(Oc2ccccc2)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414775537 334091392 /nfs/dbraw/zinc/09/13/92/334091392.db2.gz DAHVGBUMHDEAGV-UHFFFAOYSA-N 2 2 316.832 3.974 20 0 DHADLP Clc1ccc(OC2CCCC2)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414794012 334098971 /nfs/dbraw/zinc/09/89/71/334098971.db2.gz VCHFJXHDRIGUQB-UHFFFAOYSA-N 2 2 308.853 3.503 20 0 DHADLP [NH3+][C@@H](C[NH2+]Cc1ccccc1OC1CCCC1)c1ccccc1 ZINC000414830899 334110515 /nfs/dbraw/zinc/11/05/15/334110515.db2.gz MLIVODKYJHOQDM-IBGZPJMESA-N 2 2 310.441 3.798 20 0 DHADLP [NH3+][C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000414832248 334111000 /nfs/dbraw/zinc/11/10/00/334111000.db2.gz OFTXNNJMIWERQA-OAHLLOKOSA-N 2 2 312.310 3.634 20 0 DHADLP [NH3+][C@@H](C[NH2+]Cc1cccc(OC2CCCC2)c1)c1ccccc1 ZINC000414835981 334111373 /nfs/dbraw/zinc/11/13/73/334111373.db2.gz SJSSHBJLCDJZAG-FQEVSTJZSA-N 2 2 310.441 3.798 20 0 DHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414837267 334111598 /nfs/dbraw/zinc/11/15/98/334111598.db2.gz JJUHVVYDFDARPT-LSTHTHJFSA-N 3 2 321.553 3.527 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)CC2CCOCC2)cc1 ZINC000414844528 334114092 /nfs/dbraw/zinc/11/40/92/334114092.db2.gz KUFAVHYGMCKEIX-KXBFYZLASA-N 2 2 304.478 3.605 20 0 DHADLP c1ccc([C@@H]2C[C@@H](Nc3ccc4c(c3)CCC[NH2+]4)CC[NH2+]2)cc1 ZINC000414844743 334114319 /nfs/dbraw/zinc/11/43/19/334114319.db2.gz FBCQNTAGELAYIQ-ICSRJNTNSA-N 2 2 307.441 3.950 20 0 DHADLP CCc1ncc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000414846522 334117152 /nfs/dbraw/zinc/11/71/52/334117152.db2.gz NIHQRZARTNYOSG-MRXNPFEDSA-N 2 2 303.475 3.619 20 0 DHADLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CCCCC1 ZINC000414847043 334118705 /nfs/dbraw/zinc/11/87/05/334118705.db2.gz UKZKPGNTXGOKDT-UHFFFAOYSA-N 2 2 313.420 3.639 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])C3CCCCC3)co2)cc1 ZINC000414852767 334126765 /nfs/dbraw/zinc/12/67/65/334126765.db2.gz ROFBPDJYDHCZEJ-GOSISDBHSA-N 2 2 313.445 3.647 20 0 DHADLP CC[NH2+]Cc1ccccc1NCc1ccc(N(C)C(C)C)[nH+]c1 ZINC000414861852 334133030 /nfs/dbraw/zinc/13/30/30/334133030.db2.gz GMGLWQKIUCNOLV-UHFFFAOYSA-N 2 2 312.461 3.648 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414874212 334144314 /nfs/dbraw/zinc/14/43/14/334144314.db2.gz YTQAEGAAALRDRZ-GOSISDBHSA-N 2 2 310.441 3.512 20 0 DHADLP C[C@@H](CCc1ccsc1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414952014 334206962 /nfs/dbraw/zinc/20/69/62/334206962.db2.gz HRCXGNJQVXLVIW-KSSFIOAISA-N 2 2 300.471 3.546 20 0 DHADLP Cc1cc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc2cccnc12 ZINC000414957045 334208844 /nfs/dbraw/zinc/20/88/44/334208844.db2.gz PIMPYVIDUUCIFK-HXUWFJFHSA-N 2 2 317.436 3.520 20 0 DHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C1 ZINC000415081790 334272800 /nfs/dbraw/zinc/27/28/00/334272800.db2.gz NLSUCWSFCHEMPG-HZMBPMFUSA-N 2 2 321.877 3.784 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453402597 334269658 /nfs/dbraw/zinc/26/96/58/334269658.db2.gz AHOYOQBJVZFWLP-OAHLLOKOSA-N 2 2 304.400 3.572 20 0 DHADLP CCc1cnc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)o1 ZINC000534472535 334269876 /nfs/dbraw/zinc/26/98/76/334269876.db2.gz DNXSUVMUZCZLRQ-HNNXBMFYSA-N 2 2 324.428 3.560 20 0 DHADLP CCc1cnc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)o1 ZINC000534472535 334269878 /nfs/dbraw/zinc/26/98/78/334269878.db2.gz DNXSUVMUZCZLRQ-HNNXBMFYSA-N 2 2 324.428 3.560 20 0 DHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580713 334288881 /nfs/dbraw/zinc/28/88/81/334288881.db2.gz NMDWBBVFPAYSQR-HOCLYGCPSA-N 2 2 322.412 3.626 20 0 DHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580713 334288883 /nfs/dbraw/zinc/28/88/83/334288883.db2.gz NMDWBBVFPAYSQR-HOCLYGCPSA-N 2 2 322.412 3.626 20 0 DHADLP COc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000443003295 338441601 /nfs/dbraw/zinc/44/16/01/338441601.db2.gz BJRDUYKRDCTRJL-OXQOHEQNSA-N 2 2 312.457 3.785 20 0 DHADLP CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000531958679 334314402 /nfs/dbraw/zinc/31/44/02/334314402.db2.gz PLGQKAUHKOHFCX-AWEZNQCLSA-N 2 2 323.444 3.556 20 0 DHADLP CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000164823711 334669787 /nfs/dbraw/zinc/66/97/87/334669787.db2.gz MDRIBVDGFNBASC-INIZCTEOSA-N 2 2 323.444 3.576 20 0 DHADLP COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188763512 334871655 /nfs/dbraw/zinc/87/16/55/334871655.db2.gz KPXXOMZUIDNLEC-CABCVRRESA-N 2 2 322.412 3.688 20 0 DHADLP Cc1oc2ccccc2c1C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000343638219 335183654 /nfs/dbraw/zinc/18/36/54/335183654.db2.gz LIPCIPOFUDKJCE-UHFFFAOYSA-N 2 2 321.424 3.767 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000343787804 335193236 /nfs/dbraw/zinc/19/32/36/335193236.db2.gz GZNCFZORJGUCRC-RDTXWAMCSA-N 2 2 320.440 3.655 20 0 DHADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000344055326 335213781 /nfs/dbraw/zinc/21/37/81/335213781.db2.gz LDYAGWILDMRQMV-ZWKOTPCHSA-N 2 2 313.445 3.556 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C1(CC)CC ZINC000344098370 335218018 /nfs/dbraw/zinc/21/80/18/335218018.db2.gz JYJQVLOPXWIHRI-BRWVUGGUSA-N 2 2 319.493 3.642 20 0 DHADLP Fc1cccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)c1 ZINC000344222903 335229681 /nfs/dbraw/zinc/22/96/81/335229681.db2.gz LVTCCZJYJJJONB-UHFFFAOYSA-N 2 2 313.401 3.852 20 0 DHADLP CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000344327391 335240977 /nfs/dbraw/zinc/24/09/77/335240977.db2.gz LTAXMEWJNHLPMI-KJWYOANISA-N 2 2 313.445 3.582 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1cccc(CO)c1 ZINC000345170730 335304678 /nfs/dbraw/zinc/30/46/78/335304678.db2.gz IIXOODRCUPCJIN-FIKGOQFSSA-N 2 2 324.468 3.665 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cccc(CO)c1 ZINC000345170730 335304680 /nfs/dbraw/zinc/30/46/80/335304680.db2.gz IIXOODRCUPCJIN-FIKGOQFSSA-N 2 2 324.468 3.665 20 0 DHADLP CCC1(CC)CC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346174786 335377800 /nfs/dbraw/zinc/37/78/00/335377800.db2.gz LNLZAIHBRYOWOX-UHFFFAOYSA-N 2 2 321.534 3.922 20 0 DHADLP CCC1(CC)CC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346174786 335377802 /nfs/dbraw/zinc/37/78/02/335377802.db2.gz LNLZAIHBRYOWOX-UHFFFAOYSA-N 2 2 321.534 3.922 20 0 DHADLP CCC1(CC)CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000346174786 335377803 /nfs/dbraw/zinc/37/78/03/335377803.db2.gz LNLZAIHBRYOWOX-UHFFFAOYSA-N 2 2 321.534 3.922 20 0 DHADLP CCC1(CC)CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000346174786 335377805 /nfs/dbraw/zinc/37/78/05/335377805.db2.gz LNLZAIHBRYOWOX-UHFFFAOYSA-N 2 2 321.534 3.922 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCC(C)(C)C3)sc2C1 ZINC000346138814 335380312 /nfs/dbraw/zinc/38/03/12/335380312.db2.gz UJEUUXVDKIIZSJ-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCC(C)(C)C3)sc2C1 ZINC000346138814 335380314 /nfs/dbraw/zinc/38/03/14/335380314.db2.gz UJEUUXVDKIIZSJ-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCC(C)(C)C3)sc2C1 ZINC000346138814 335380316 /nfs/dbraw/zinc/38/03/16/335380316.db2.gz UJEUUXVDKIIZSJ-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCC(C)(C)C3)sc2C1 ZINC000346138814 335380318 /nfs/dbraw/zinc/38/03/18/335380318.db2.gz UJEUUXVDKIIZSJ-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@@H]3CCC[C@@H](C)C3)sc2C1 ZINC000346142739 335380723 /nfs/dbraw/zinc/38/07/23/335380723.db2.gz CDPOSSCZTOMBNR-HUUCEWRRSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@@H]3CCC[C@@H](C)C3)sc2C1 ZINC000346142739 335380724 /nfs/dbraw/zinc/38/07/24/335380724.db2.gz CDPOSSCZTOMBNR-HUUCEWRRSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@@H]3CCC[C@@H](C)C3)sc2C1 ZINC000346142739 335380726 /nfs/dbraw/zinc/38/07/26/335380726.db2.gz CDPOSSCZTOMBNR-HUUCEWRRSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@H]3CCC[C@@H](C)C3)sc2C1 ZINC000346142737 335380873 /nfs/dbraw/zinc/38/08/73/335380873.db2.gz CDPOSSCZTOMBNR-CABCVRRESA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@H]3CCC[C@@H](C)C3)sc2C1 ZINC000346142737 335380875 /nfs/dbraw/zinc/38/08/75/335380875.db2.gz CDPOSSCZTOMBNR-CABCVRRESA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@H]3CCC[C@@H](C)C3)sc2C1 ZINC000346142737 335380876 /nfs/dbraw/zinc/38/08/76/335380876.db2.gz CDPOSSCZTOMBNR-CABCVRRESA-N 2 2 321.534 3.920 20 0 DHADLP Cc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc2cccnc12 ZINC000346219228 335385345 /nfs/dbraw/zinc/38/53/45/335385345.db2.gz RUXAMJRAIFWHEM-UHFFFAOYSA-N 2 2 309.457 3.603 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCCC[C@H]3C)sc2C1 ZINC000346186200 335387724 /nfs/dbraw/zinc/38/77/24/335387724.db2.gz YFFJXPVNFMRTSB-CQSZACIVSA-N 2 2 307.507 3.674 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCCC[C@H]3C)sc2C1 ZINC000346186200 335387726 /nfs/dbraw/zinc/38/77/26/335387726.db2.gz YFFJXPVNFMRTSB-CQSZACIVSA-N 2 2 307.507 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCCC[C@H]3C)sc2C1 ZINC000346186200 335387727 /nfs/dbraw/zinc/38/77/27/335387727.db2.gz YFFJXPVNFMRTSB-CQSZACIVSA-N 2 2 307.507 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCCC[C@H]3C)sc2C1 ZINC000346186200 335387729 /nfs/dbraw/zinc/38/77/29/335387729.db2.gz YFFJXPVNFMRTSB-CQSZACIVSA-N 2 2 307.507 3.674 20 0 DHADLP Fc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc2)cc1 ZINC000346305415 335398412 /nfs/dbraw/zinc/39/84/12/335398412.db2.gz IAKRAAXJTVOIDS-UHFFFAOYSA-N 2 2 309.388 3.725 20 0 DHADLP c1cn(CC[NH+]2CCC(c3cccc4ccccc43)CC2)c[nH+]1 ZINC000346309578 335398694 /nfs/dbraw/zinc/39/86/94/335398694.db2.gz MQBIIVRZUZLURH-UHFFFAOYSA-N 2 2 305.425 3.916 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCCn1ccc2ccccc21 ZINC000347913701 335538244 /nfs/dbraw/zinc/53/82/44/335538244.db2.gz AZEWFHZQBHANMB-UHFFFAOYSA-N 2 2 307.441 3.957 20 0 DHADLP Fc1cc(Cl)cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351571050 336045755 /nfs/dbraw/zinc/04/57/55/336045755.db2.gz RLBIHDWMHWITDR-UHFFFAOYSA-N 2 2 316.767 3.731 20 0 DHADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1C(F)(F)F)CC2 ZINC000351760505 336065669 /nfs/dbraw/zinc/06/56/69/336065669.db2.gz UUDZWAPETOHWEN-UHFFFAOYSA-N 2 2 312.379 3.766 20 0 DHADLP C[N@H+]1CCCC12CC[NH+](Cc1ccccc1C(F)(F)F)CC2 ZINC000351760505 336065670 /nfs/dbraw/zinc/06/56/70/336065670.db2.gz UUDZWAPETOHWEN-UHFFFAOYSA-N 2 2 312.379 3.766 20 0 DHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000351993542 336186812 /nfs/dbraw/zinc/18/68/12/336186812.db2.gz AZGZYNFEMJPXIT-UHFFFAOYSA-N 2 2 315.914 3.740 20 0 DHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000351993542 336186814 /nfs/dbraw/zinc/18/68/14/336186814.db2.gz AZGZYNFEMJPXIT-UHFFFAOYSA-N 2 2 315.914 3.740 20 0 DHADLP Cc1ccc2[nH]c(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cc2c1C ZINC000352011987 336189006 /nfs/dbraw/zinc/18/90/06/336189006.db2.gz XJLBAXFAEADTCU-UHFFFAOYSA-N 2 2 308.429 3.887 20 0 DHADLP Clc1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000352345780 336213420 /nfs/dbraw/zinc/21/34/20/336213420.db2.gz OAFBCRLYGHWCGA-BQTXGFLSSA-N 2 2 301.821 3.956 20 0 DHADLP Clc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000352345780 336213421 /nfs/dbraw/zinc/21/34/21/336213421.db2.gz OAFBCRLYGHWCGA-BQTXGFLSSA-N 2 2 301.821 3.956 20 0 DHADLP Clc1ccc(/C=C/C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000352345781 336213449 /nfs/dbraw/zinc/21/34/49/336213449.db2.gz OAFBCRLYGHWCGA-KZTTYJGESA-N 2 2 301.821 3.956 20 0 DHADLP Clc1ccc(/C=C/C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000352345781 336213450 /nfs/dbraw/zinc/21/34/50/336213450.db2.gz OAFBCRLYGHWCGA-KZTTYJGESA-N 2 2 301.821 3.956 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2F)CC1 ZINC000352365922 336215244 /nfs/dbraw/zinc/21/52/44/336215244.db2.gz YWYTZYABOQHRBA-UHFFFAOYSA-N 2 2 300.377 3.573 20 0 DHADLP CC(C)COc1cccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)c1 ZINC000352451274 336219913 /nfs/dbraw/zinc/21/99/13/336219913.db2.gz VOCQTVLGVJUOBS-QGZVFWFLSA-N 2 2 313.445 3.585 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)C2CCC2)s1 ZINC000352779379 336235865 /nfs/dbraw/zinc/23/58/65/336235865.db2.gz LEQJFJWYHPPGFZ-GOSISDBHSA-N 2 2 315.486 3.836 20 0 DHADLP FC(F)(F)Cn1cc[nH+]c1CNc1cccc2cc[nH+]cc21 ZINC000532736303 336268812 /nfs/dbraw/zinc/26/88/12/336268812.db2.gz HRUKRYAIVRRHQE-UHFFFAOYSA-N 2 2 306.291 3.606 20 0 DHADLP CSc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000352843046 336275693 /nfs/dbraw/zinc/27/56/93/336275693.db2.gz PZVHSEDWHVMGHB-GFCCVEGCSA-N 2 2 307.488 3.642 20 0 DHADLP Cc1cccc2[nH+]c(CNc3cc[nH+]c4cc(F)ccc34)cn21 ZINC000301258510 336297273 /nfs/dbraw/zinc/29/72/73/336297273.db2.gz KYWARSRQDRWLJZ-UHFFFAOYSA-N 2 2 306.344 3.942 20 0 DHADLP c1cc2[nH+]ccc(NC3CCN(c4cccc[nH+]4)CC3)c2s1 ZINC000301330305 336300899 /nfs/dbraw/zinc/30/08/99/336300899.db2.gz ASPOQUHGWMIVIE-UHFFFAOYSA-N 2 2 310.426 3.772 20 0 DHADLP Cc1nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c(C)c(C)[nH+]1 ZINC000301423265 336305767 /nfs/dbraw/zinc/30/57/67/336305767.db2.gz ALWSXWLASVIJJJ-MRXNPFEDSA-N 2 2 314.433 3.634 20 0 DHADLP Clc1c[nH+]ccc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000301504355 336311135 /nfs/dbraw/zinc/31/11/35/336311135.db2.gz CBZBHRKRAJJNBL-OAHLLOKOSA-N 2 2 305.809 3.967 20 0 DHADLP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Cl)c1c(F)cccc1F ZINC000301507027 336311181 /nfs/dbraw/zinc/31/11/81/336311181.db2.gz JFJCVLQFBLBCGZ-AWEZNQCLSA-N 2 2 311.763 3.728 20 0 DHADLP C[C@@H](CNc1cc[nH+]cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000301538185 336313350 /nfs/dbraw/zinc/31/33/50/336313350.db2.gz UQNNOATWZHBXSU-NSHDSACASA-N 2 2 307.850 3.655 20 0 DHADLP C[C@@H](CNc1cc[nH+]cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000301538185 336313351 /nfs/dbraw/zinc/31/33/51/336313351.db2.gz UQNNOATWZHBXSU-NSHDSACASA-N 2 2 307.850 3.655 20 0 DHADLP Cc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2cc(F)ccc2[nH+]1 ZINC000301661471 336321416 /nfs/dbraw/zinc/32/14/16/336321416.db2.gz JTCLQXSZIKFOSH-DJJJIMSYSA-N 2 2 324.403 3.966 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000301709117 336324783 /nfs/dbraw/zinc/32/47/83/336324783.db2.gz JOBZTPBWSRAOIP-AWEZNQCLSA-N 2 2 324.403 3.567 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cccc[nH+]4)CC[C@H]32)cc1 ZINC000301729758 336326065 /nfs/dbraw/zinc/32/60/65/336326065.db2.gz WVQACISHRDCWHY-RBUKOAKNSA-N 2 2 307.441 3.573 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@H]3CN(c4cccc[nH+]4)CC[C@H]32)cc1 ZINC000301729758 336326066 /nfs/dbraw/zinc/32/60/66/336326066.db2.gz WVQACISHRDCWHY-RBUKOAKNSA-N 2 2 307.441 3.573 20 0 DHADLP CCc1cc(N2CCN(c3cccc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC000301768437 336328467 /nfs/dbraw/zinc/32/84/67/336328467.db2.gz DRBQYSXTZWQEFM-UHFFFAOYSA-N 2 2 318.424 3.519 20 0 DHADLP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301824606 336332522 /nfs/dbraw/zinc/33/25/22/336332522.db2.gz DDNAYZSZCGFPMP-FUHWJXTLSA-N 2 2 310.445 3.766 20 0 DHADLP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301824606 336332523 /nfs/dbraw/zinc/33/25/23/336332523.db2.gz DDNAYZSZCGFPMP-FUHWJXTLSA-N 2 2 310.445 3.766 20 0 DHADLP CC(C)c1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nc(C(C)C)[nH+]1 ZINC000301859184 336334659 /nfs/dbraw/zinc/33/46/59/336334659.db2.gz JXQDVXREHPKCDV-RDJZCZTQSA-N 2 2 316.493 3.644 20 0 DHADLP CC(C)c1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nc(C(C)C)[nH+]1 ZINC000301859184 336334660 /nfs/dbraw/zinc/33/46/60/336334660.db2.gz JXQDVXREHPKCDV-RDJZCZTQSA-N 2 2 316.493 3.644 20 0 DHADLP Cc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C(C)C)[nH+]1 ZINC000302048870 336345484 /nfs/dbraw/zinc/34/54/84/336345484.db2.gz MLLIXMUBBQNCDP-JKSUJKDBSA-N 2 2 316.493 3.973 20 0 DHADLP Cc1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C(C)C)[nH+]1 ZINC000302048870 336345485 /nfs/dbraw/zinc/34/54/85/336345485.db2.gz MLLIXMUBBQNCDP-JKSUJKDBSA-N 2 2 316.493 3.973 20 0 DHADLP CC(C)c1nc(NC2CC[NH+](C3CC3)CC2)cc(C(C)(C)C)[nH+]1 ZINC000302806495 336369961 /nfs/dbraw/zinc/36/99/61/336369961.db2.gz XBKAUKWOXRGVGQ-UHFFFAOYSA-N 2 2 316.493 3.936 20 0 DHADLP Cc1cccc(CCC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000352904699 336375625 /nfs/dbraw/zinc/37/56/25/336375625.db2.gz VTFPCZQFYFLRKI-GHTZIAJQSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cccc(CCC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000352904699 336375626 /nfs/dbraw/zinc/37/56/26/336375626.db2.gz VTFPCZQFYFLRKI-GHTZIAJQSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000352973886 336380777 /nfs/dbraw/zinc/38/07/77/336380777.db2.gz DNMDELHPKBGYCZ-HXUWFJFHSA-N 2 2 303.409 3.707 20 0 DHADLP Clc1ccc(/C=C/C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000582259621 336396802 /nfs/dbraw/zinc/39/68/02/336396802.db2.gz VYMOYBWCNJUPTR-ZMXQLYDGSA-N 2 2 314.816 3.902 20 0 DHADLP Clc1ccc(/C=C/C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000582259621 336396803 /nfs/dbraw/zinc/39/68/03/336396803.db2.gz VYMOYBWCNJUPTR-ZMXQLYDGSA-N 2 2 314.816 3.902 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)o1 ZINC000353125447 336403639 /nfs/dbraw/zinc/40/36/39/336403639.db2.gz LGJAXJQNCZOWPZ-BBRMVZONSA-N 2 2 308.385 3.655 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000353598982 336427748 /nfs/dbraw/zinc/42/77/48/336427748.db2.gz VMWIVBCBQIJLRQ-HNNXBMFYSA-N 2 2 309.388 3.921 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)c[nH+]1 ZINC000354576044 336475444 /nfs/dbraw/zinc/47/54/44/336475444.db2.gz VRPXOYSOKZCIJG-GOSISDBHSA-N 2 2 314.404 3.965 20 0 DHADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000367224488 336539345 /nfs/dbraw/zinc/53/93/45/336539345.db2.gz MFTKPOQHRKPARH-DZGCQCFKSA-N 2 2 303.837 3.635 20 0 DHADLP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000367224491 336539355 /nfs/dbraw/zinc/53/93/55/336539355.db2.gz MFTKPOQHRKPARH-HIFRSBDPSA-N 2 2 303.837 3.635 20 0 DHADLP Cc1cc(N2CCn3c[nH+]cc3C2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000357550418 336590095 /nfs/dbraw/zinc/59/00/95/336590095.db2.gz QUTAKEIDCKRJMC-UHFFFAOYSA-N 2 2 312.804 3.722 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000367294325 336609165 /nfs/dbraw/zinc/60/91/65/336609165.db2.gz JSMNMBTWLUVXQD-KRWDZBQOSA-N 2 2 300.377 3.575 20 0 DHADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000358239525 336618794 /nfs/dbraw/zinc/61/87/94/336618794.db2.gz PCSWQDPJVFDMTD-BEFAXECRSA-N 2 2 313.445 3.728 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+]CC1(CC)CCOCC1)c1ccccc1 ZINC000358523631 336633482 /nfs/dbraw/zinc/63/34/82/336633482.db2.gz SPHMWVBYRXKBQC-LJQANCHMSA-N 2 2 318.505 3.866 20 0 DHADLP Fc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000360078448 336700777 /nfs/dbraw/zinc/70/07/77/336700777.db2.gz HUMCMTNVDHVACD-FQEVSTJZSA-N 2 2 321.399 3.848 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)c(F)c1 ZINC000367437845 336822703 /nfs/dbraw/zinc/82/27/03/336822703.db2.gz JYZNDQXOAZGITC-GOSISDBHSA-N 2 2 319.399 3.985 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000115624252 336825672 /nfs/dbraw/zinc/82/56/72/336825672.db2.gz DVLWETWYKDJANK-SUMWQHHRSA-N 2 2 316.420 3.894 20 0 DHADLP Cc1ccc([C@@H](C[NH2+]C2CC(c3ccccn3)C2)[NH+](C)C)cc1 ZINC000368014803 336834689 /nfs/dbraw/zinc/83/46/89/336834689.db2.gz BGUWQUHVWOJWTD-AFMYVXGZSA-N 2 2 309.457 3.529 20 0 DHADLP Cc1ccc([C@H](C[NH2+]C2CC(c3ccccn3)C2)[NH+](C)C)cc1 ZINC000368014804 336834795 /nfs/dbraw/zinc/83/47/95/336834795.db2.gz BGUWQUHVWOJWTD-QLOJAFMTSA-N 2 2 309.457 3.529 20 0 DHADLP Cc1nc2c(s1)CCC[C@@H]2C[NH2+]CCCc1c[nH+]ccc1C ZINC000368042167 336836417 /nfs/dbraw/zinc/83/64/17/336836417.db2.gz MNOFVBLCUPPKNW-MRXNPFEDSA-N 2 2 315.486 3.797 20 0 DHADLP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000121895625 336982560 /nfs/dbraw/zinc/98/25/60/336982560.db2.gz LNIBRXCXJIRRIZ-RYRKJORJSA-N 2 2 301.478 3.566 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)no1 ZINC000375081284 337002896 /nfs/dbraw/zinc/00/28/96/337002896.db2.gz PTBNIDLWOSYWHP-CVEARBPZSA-N 2 2 313.445 3.859 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1csc(C(C)C)n1)CCC2 ZINC000375093548 337003152 /nfs/dbraw/zinc/00/31/52/337003152.db2.gz FIEOANRTKXSTEU-KGLIPLIRSA-N 2 2 318.490 4.000 20 0 DHADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccccc1OC(F)F ZINC000375271940 337007106 /nfs/dbraw/zinc/00/71/06/337007106.db2.gz IIGCGJQREHTOAS-LBPRGKRZSA-N 2 2 321.371 3.672 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3occc3c2)cn1 ZINC000375689250 337016676 /nfs/dbraw/zinc/01/66/76/337016676.db2.gz POTNRFDWUAISRZ-UHFFFAOYSA-N 2 2 318.380 3.612 20 0 DHADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2CCCS2)CC1 ZINC000168674886 337022984 /nfs/dbraw/zinc/02/29/84/337022984.db2.gz CGLCIBAHVJRPEC-MRXNPFEDSA-N 2 2 324.921 3.790 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ncc(-c3ccccc3)o1)C2 ZINC000376489269 337034793 /nfs/dbraw/zinc/03/47/93/337034793.db2.gz CLYVXLFOBGOYCT-ZBFHGGJFSA-N 2 2 322.412 3.512 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000376648114 337038982 /nfs/dbraw/zinc/03/89/82/337038982.db2.gz DRCIKUYNIXFFPT-MNEFBYGVSA-N 2 2 309.457 3.544 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376727359 337039980 /nfs/dbraw/zinc/03/99/80/337039980.db2.gz DKAFDAZIASSFFD-UHFFFAOYSA-N 2 2 323.396 3.895 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@@H](C2CC2)[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000376858681 337042820 /nfs/dbraw/zinc/04/28/20/337042820.db2.gz KUIHOEWSPWIGAR-NDXORKPFSA-N 2 2 321.468 3.785 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@@H](C2CC2)[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000376858681 337042821 /nfs/dbraw/zinc/04/28/21/337042821.db2.gz KUIHOEWSPWIGAR-NDXORKPFSA-N 2 2 321.468 3.785 20 0 DHADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377256112 337049609 /nfs/dbraw/zinc/04/96/09/337049609.db2.gz JUTZQEGLEFUREC-LULLPPNCSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377256112 337049610 /nfs/dbraw/zinc/04/96/10/337049610.db2.gz JUTZQEGLEFUREC-LULLPPNCSA-N 2 2 315.505 3.879 20 0 DHADLP C[N@H+](Cc1ccc2occc2c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000377656289 337057651 /nfs/dbraw/zinc/05/76/51/337057651.db2.gz XBVSCXXXCUUEEK-UHFFFAOYSA-N 2 2 321.424 3.929 20 0 DHADLP C[N@@H+](Cc1ccc2occc2c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000377656289 337057652 /nfs/dbraw/zinc/05/76/52/337057652.db2.gz XBVSCXXXCUUEEK-UHFFFAOYSA-N 2 2 321.424 3.929 20 0 DHADLP CSc1ccc([C@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000377903586 337063617 /nfs/dbraw/zinc/06/36/17/337063617.db2.gz FVRUMPDYDSCMLU-JSGCOSHPSA-N 2 2 319.449 3.832 20 0 DHADLP CSc1ccc([C@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000377903586 337063618 /nfs/dbraw/zinc/06/36/18/337063618.db2.gz FVRUMPDYDSCMLU-JSGCOSHPSA-N 2 2 319.449 3.832 20 0 DHADLP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000378474287 337073823 /nfs/dbraw/zinc/07/38/23/337073823.db2.gz MQZAXKJDINPRQW-RBUKOAKNSA-N 2 2 313.445 3.596 20 0 DHADLP FC(F)(F)c1ccc([C@@H]2CCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000378478309 337073879 /nfs/dbraw/zinc/07/38/79/337073879.db2.gz VTMQMFLNFQFJNZ-HOTGVXAUSA-N 2 2 323.362 3.828 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(-n3cc[nH+]c3)c1)[C@H](C)C2 ZINC000378498414 337074527 /nfs/dbraw/zinc/07/45/27/337074527.db2.gz RWDPEYZGAKDYOT-FOIQADDNSA-N 2 2 318.424 3.599 20 0 DHADLP COCC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000360001260 337083589 /nfs/dbraw/zinc/08/35/89/337083589.db2.gz VMUNEVMUDQERJX-SFHVURJKSA-N 2 2 320.477 3.744 20 0 DHADLP Cn1cc[nH+]c1-c1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000360061634 337084704 /nfs/dbraw/zinc/08/47/04/337084704.db2.gz SZCAUTOCDAZGKQ-UHFFFAOYSA-N 2 2 313.351 3.655 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccccc1OC ZINC000360080043 337085094 /nfs/dbraw/zinc/08/50/94/337085094.db2.gz SVYSNGHDHCIQGA-DOTOQJQBSA-N 2 2 313.445 3.818 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(O)c1 ZINC000171766022 337089251 /nfs/dbraw/zinc/08/92/51/337089251.db2.gz SEJZVUDKHPCDDQ-ZDUSSCGKSA-N 2 2 311.360 3.568 20 0 DHADLP CCO[C@H]1C[C@H]([NH2+]CCCc2c[nH+]ccc2C)C12CCCC2 ZINC000582513680 337099691 /nfs/dbraw/zinc/09/96/91/337099691.db2.gz NXMXUAIXERJZKQ-ROUUACIJSA-N 2 2 302.462 3.650 20 0 DHADLP CC(C)n1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000179656297 337170940 /nfs/dbraw/zinc/17/09/40/337170940.db2.gz SVACYMDPLBXRHF-ZWKOTPCHSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000179656297 337170941 /nfs/dbraw/zinc/17/09/41/337170941.db2.gz SVACYMDPLBXRHF-ZWKOTPCHSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000179656297 337170942 /nfs/dbraw/zinc/17/09/42/337170942.db2.gz SVACYMDPLBXRHF-ZWKOTPCHSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000179656297 337170943 /nfs/dbraw/zinc/17/09/43/337170943.db2.gz SVACYMDPLBXRHF-ZWKOTPCHSA-N 2 2 318.509 3.550 20 0 DHADLP C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000182053367 337186118 /nfs/dbraw/zinc/18/61/18/337186118.db2.gz XSRCDCUNWCBJLA-QGZVFWFLSA-N 2 2 309.457 3.519 20 0 DHADLP C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000182053350 337186142 /nfs/dbraw/zinc/18/61/42/337186142.db2.gz XSRCDCUNWCBJLA-KRWDZBQOSA-N 2 2 309.457 3.519 20 0 DHADLP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000185196780 337202596 /nfs/dbraw/zinc/20/25/96/337202596.db2.gz RWINDGJXHGPPTK-OALUTQOASA-N 2 2 313.445 3.556 20 0 DHADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000430946362 337251442 /nfs/dbraw/zinc/25/14/42/337251442.db2.gz AIBCSGLJQPVNQZ-LBPRGKRZSA-N 2 2 306.356 3.536 20 0 DHADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000430946362 337251443 /nfs/dbraw/zinc/25/14/43/337251443.db2.gz AIBCSGLJQPVNQZ-LBPRGKRZSA-N 2 2 306.356 3.536 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000392552322 337262371 /nfs/dbraw/zinc/26/23/71/337262371.db2.gz YLETZIQURIAKJC-LDQXTDLNSA-N 2 2 324.468 3.857 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000392552322 337262372 /nfs/dbraw/zinc/26/23/72/337262372.db2.gz YLETZIQURIAKJC-LDQXTDLNSA-N 2 2 324.468 3.857 20 0 DHADLP COCCC1(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000187462328 337266193 /nfs/dbraw/zinc/26/61/93/337266193.db2.gz YGAUXYFGBOSLLR-ROUUACIJSA-N 2 2 319.493 3.753 20 0 DHADLP COCCC1(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000187462328 337266194 /nfs/dbraw/zinc/26/61/94/337266194.db2.gz YGAUXYFGBOSLLR-ROUUACIJSA-N 2 2 319.493 3.753 20 0 DHADLP C[C@H]([NH2+][C@H](c1cccs1)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000583257104 337291111 /nfs/dbraw/zinc/29/11/11/337291111.db2.gz GDCFHVPBOPYBOJ-NUTKFTJISA-N 2 2 304.434 3.707 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000398005948 337303647 /nfs/dbraw/zinc/30/36/47/337303647.db2.gz GWMZGKJMBSAUBY-UZLBHIALSA-N 2 2 312.432 3.826 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000398005948 337303648 /nfs/dbraw/zinc/30/36/48/337303648.db2.gz GWMZGKJMBSAUBY-UZLBHIALSA-N 2 2 312.432 3.826 20 0 DHADLP Clc1ccsc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000193009796 337308854 /nfs/dbraw/zinc/30/88/54/337308854.db2.gz UDWIWQWYXNMBRT-UHFFFAOYSA-N 2 2 321.877 3.551 20 0 DHADLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)CCO1 ZINC000193432139 337326555 /nfs/dbraw/zinc/32/65/55/337326555.db2.gz IPWLDMKPRSHUBI-KRWDZBQOSA-N 2 2 324.468 3.525 20 0 DHADLP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)CCO1 ZINC000193432139 337326556 /nfs/dbraw/zinc/32/65/56/337326556.db2.gz IPWLDMKPRSHUBI-KRWDZBQOSA-N 2 2 324.468 3.525 20 0 DHADLP Cc1[nH]c(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)[nH+]c1C ZINC000584666263 337378051 /nfs/dbraw/zinc/37/80/51/337378051.db2.gz PBWLIDAWMCVPGG-UHFFFAOYSA-N 2 2 321.428 3.838 20 0 DHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583898808 337384770 /nfs/dbraw/zinc/38/47/70/337384770.db2.gz MEZJXXCRKRSDCN-UYJHFMRCSA-N 2 2 310.432 3.777 20 0 DHADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1nc(-c2ccccc2Cl)cs1 ZINC000420303019 337499017 /nfs/dbraw/zinc/49/90/17/337499017.db2.gz KFWNDOMVUXPMGI-INIZCTEOSA-N 2 2 323.893 3.927 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000161646594 337594077 /nfs/dbraw/zinc/59/40/77/337594077.db2.gz MWEUJIHATUSLSK-ZDUSSCGKSA-N 2 2 310.869 3.874 20 0 DHADLP [NH3+][C@@H]1C[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)c2ccccc21 ZINC000422918565 337691426 /nfs/dbraw/zinc/69/14/26/337691426.db2.gz HOZAPEYSXOUMQP-QZTJIDSGSA-N 2 2 308.429 3.629 20 0 DHADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423133252 337701154 /nfs/dbraw/zinc/70/11/54/337701154.db2.gz PYLDAHXDEZNNFW-DVOMOZLQSA-N 2 2 324.415 3.689 20 0 DHADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423266210 337708250 /nfs/dbraw/zinc/70/82/50/337708250.db2.gz DGEXNGNBMMXAOK-SKDRFNHKSA-N 2 2 306.784 3.575 20 0 DHADLP c1cncc([C@H]([NH2+]CC[NH2+]C2CCCCCC2)C2CCC2)c1 ZINC000423278967 337709179 /nfs/dbraw/zinc/70/91/79/337709179.db2.gz QPFJCZSHLSFCDD-LJQANCHMSA-N 2 2 301.478 3.825 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000423295241 337710637 /nfs/dbraw/zinc/71/06/37/337710637.db2.gz DSBHXLNNHAPKRA-HUUCEWRRSA-N 2 2 318.383 3.500 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000423297065 337710893 /nfs/dbraw/zinc/71/08/93/337710893.db2.gz IOWSXVUXIZNBBI-HIFRSBDPSA-N 2 2 303.475 3.978 20 0 DHADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423482065 337721998 /nfs/dbraw/zinc/72/19/98/337721998.db2.gz XDIFGJWDSCDVFC-AAEUAGOBSA-N 2 2 308.372 3.829 20 0 DHADLP CCC(F)(F)C(C)(C)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000527711376 337758235 /nfs/dbraw/zinc/75/82/35/337758235.db2.gz ZDZZKOORFCGRQG-UHFFFAOYSA-N 2 2 308.376 3.810 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CC12CC2 ZINC000527845187 337768291 /nfs/dbraw/zinc/76/82/91/337768291.db2.gz CRGNWZOSPYRVBN-KSSFIOAISA-N 2 2 302.437 3.568 20 0 DHADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000424207037 337809459 /nfs/dbraw/zinc/80/94/59/337809459.db2.gz XCPDSGHTQQKUMY-SFTDATJTSA-N 2 2 324.443 3.878 20 0 DHADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000424368882 337827501 /nfs/dbraw/zinc/82/75/01/337827501.db2.gz ASFCIHAUIKVWGC-OYSTVDSJSA-N 2 2 302.437 3.524 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000120652720 337877143 /nfs/dbraw/zinc/87/71/43/337877143.db2.gz HYYVDSUFXGMANH-GFCCVEGCSA-N 2 2 315.367 3.974 20 0 DHADLP Cc1cc[nH+]c(C)c1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000425596805 338015768 /nfs/dbraw/zinc/01/57/68/338015768.db2.gz PIRDWKHSXIDMSA-UHFFFAOYSA-N 2 2 323.440 3.937 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cnc(C)cn2)cc1 ZINC000428344047 338048023 /nfs/dbraw/zinc/04/80/23/338048023.db2.gz AJSKJMGHLIVINH-CABCVRRESA-N 2 2 321.428 3.691 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428746440 338060248 /nfs/dbraw/zinc/06/02/48/338060248.db2.gz FNNXSXGZYOPWKK-SJORKVTESA-N 2 2 317.383 3.658 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428746440 338060249 /nfs/dbraw/zinc/06/02/49/338060249.db2.gz FNNXSXGZYOPWKK-SJORKVTESA-N 2 2 317.383 3.658 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]Cc1nc2ccc(F)cc2s1)C(C)(C)C ZINC000428890174 338064709 /nfs/dbraw/zinc/06/47/09/338064709.db2.gz SRLIAMCWCHBJQV-OAHLLOKOSA-N 2 2 323.481 3.891 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430015409 338093336 /nfs/dbraw/zinc/09/33/36/338093336.db2.gz KTCPPOWMPJHURS-UHFFFAOYSA-N 2 2 322.880 3.703 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000430554190 338108489 /nfs/dbraw/zinc/10/84/89/338108489.db2.gz PUJFSKALHQTENR-RWMBFGLXSA-N 2 2 322.403 3.552 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000430554190 338108490 /nfs/dbraw/zinc/10/84/90/338108490.db2.gz PUJFSKALHQTENR-RWMBFGLXSA-N 2 2 322.403 3.552 20 0 DHADLP c1ccc(CSCC[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000430756149 338113867 /nfs/dbraw/zinc/11/38/67/338113867.db2.gz BHBFSNJZWYKXLO-KRWDZBQOSA-N 2 2 304.503 3.526 20 0 DHADLP c1ccc(CSCC[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000430756149 338113868 /nfs/dbraw/zinc/11/38/68/338113868.db2.gz BHBFSNJZWYKXLO-KRWDZBQOSA-N 2 2 304.503 3.526 20 0 DHADLP Fc1ccc(SCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000430818621 338115978 /nfs/dbraw/zinc/11/59/78/338115978.db2.gz BMSHVTYURKDGRG-UHFFFAOYSA-N 2 2 305.422 3.521 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432715826 338163865 /nfs/dbraw/zinc/16/38/65/338163865.db2.gz BMOSATRMIHZXGG-CYBMUJFWSA-N 2 2 321.465 3.599 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432715826 338163866 /nfs/dbraw/zinc/16/38/66/338163866.db2.gz BMOSATRMIHZXGG-CYBMUJFWSA-N 2 2 321.465 3.599 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432715826 338163867 /nfs/dbraw/zinc/16/38/67/338163867.db2.gz BMOSATRMIHZXGG-CYBMUJFWSA-N 2 2 321.465 3.599 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432715826 338163868 /nfs/dbraw/zinc/16/38/68/338163868.db2.gz BMOSATRMIHZXGG-CYBMUJFWSA-N 2 2 321.465 3.599 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)s3)CC[C@H]21 ZINC000432722055 338164141 /nfs/dbraw/zinc/16/41/41/338164141.db2.gz IAHIPQHTALQXMI-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)s3)CC[C@H]21 ZINC000432722055 338164142 /nfs/dbraw/zinc/16/41/42/338164142.db2.gz IAHIPQHTALQXMI-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)s3)CC[C@H]21 ZINC000432722055 338164143 /nfs/dbraw/zinc/16/41/43/338164143.db2.gz IAHIPQHTALQXMI-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)s3)CC[C@H]21 ZINC000432722055 338164144 /nfs/dbraw/zinc/16/41/44/338164144.db2.gz IAHIPQHTALQXMI-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000432753775 338166360 /nfs/dbraw/zinc/16/63/60/338166360.db2.gz WQYBEPHEHRKTOA-LBPRGKRZSA-N 2 2 318.408 3.685 20 0 DHADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000432753775 338166361 /nfs/dbraw/zinc/16/63/61/338166361.db2.gz WQYBEPHEHRKTOA-LBPRGKRZSA-N 2 2 318.408 3.685 20 0 DHADLP C[N@H+](CCSCc1c[nH+]c2ccccn12)Cc1ccccc1 ZINC000433053637 338178792 /nfs/dbraw/zinc/17/87/92/338178792.db2.gz RIUKRWVHOUDTDK-UHFFFAOYSA-N 2 2 311.454 3.700 20 0 DHADLP C[N@@H+](CCSCc1c[nH+]c2ccccn12)Cc1ccccc1 ZINC000433053637 338178793 /nfs/dbraw/zinc/17/87/93/338178793.db2.gz RIUKRWVHOUDTDK-UHFFFAOYSA-N 2 2 311.454 3.700 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](CCc2cccc(Cl)c2Cl)C1 ZINC000434536834 338219776 /nfs/dbraw/zinc/21/97/76/338219776.db2.gz WRGVDGFVJRCLHH-CYBMUJFWSA-N 2 2 315.288 3.810 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2cccc(Cl)c2Cl)C1 ZINC000434536834 338219777 /nfs/dbraw/zinc/21/97/77/338219777.db2.gz WRGVDGFVJRCLHH-CYBMUJFWSA-N 2 2 315.288 3.810 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434536834 338219778 /nfs/dbraw/zinc/21/97/78/338219778.db2.gz WRGVDGFVJRCLHH-CYBMUJFWSA-N 2 2 315.288 3.810 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2cccc(Cl)c2Cl)C1 ZINC000434536834 338219779 /nfs/dbraw/zinc/21/97/79/338219779.db2.gz WRGVDGFVJRCLHH-CYBMUJFWSA-N 2 2 315.288 3.810 20 0 DHADLP Cc1cc(C)cc(OCCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000435000829 338229381 /nfs/dbraw/zinc/22/93/81/338229381.db2.gz PWDVIZZYPIILLC-UHFFFAOYSA-N 2 2 313.445 3.675 20 0 DHADLP CC[N@H+](Cc1csc(-c2ccc(C)o2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435625801 338243879 /nfs/dbraw/zinc/24/38/79/338243879.db2.gz MSFSDNPMGHEPGM-OAHLLOKOSA-N 2 2 319.474 3.676 20 0 DHADLP CC[N@@H+](Cc1csc(-c2ccc(C)o2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435625801 338243880 /nfs/dbraw/zinc/24/38/80/338243880.db2.gz MSFSDNPMGHEPGM-OAHLLOKOSA-N 2 2 319.474 3.676 20 0 DHADLP COc1ccccc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154568298 338245999 /nfs/dbraw/zinc/24/59/99/338245999.db2.gz SSKFGRONXCMPTO-INIZCTEOSA-N 2 2 321.424 3.774 20 0 DHADLP CSc1ccc(CC[NH2+]Cc2c[nH+]c3c(C)cccn23)cc1 ZINC000435746108 338247716 /nfs/dbraw/zinc/24/77/16/338247716.db2.gz TXLOGVGAAYFNSB-UHFFFAOYSA-N 2 2 311.454 3.697 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436281764 338265650 /nfs/dbraw/zinc/26/56/50/338265650.db2.gz PFLMWMVMNYFDOX-JTQLQIEISA-N 2 2 317.742 3.734 20 0 DHADLP COCCC1(C[NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC000436295481 338267026 /nfs/dbraw/zinc/26/70/26/338267026.db2.gz ZFLSQTSIXFFSLM-MSOLQXFVSA-N 2 2 310.526 3.683 20 0 DHADLP COCCC1(C[NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC000436295481 338267027 /nfs/dbraw/zinc/26/70/27/338267027.db2.gz ZFLSQTSIXFFSLM-MSOLQXFVSA-N 2 2 310.526 3.683 20 0 DHADLP c1ccc(C[C@H]2CC[C@H]([NH2+]CCCNc3cccc[nH+]3)C2)cc1 ZINC000436306945 338268158 /nfs/dbraw/zinc/26/81/58/338268158.db2.gz QDFVTMRBKNLMLD-MOPGFXCFSA-N 2 2 309.457 3.885 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000438090875 338330961 /nfs/dbraw/zinc/33/09/61/338330961.db2.gz CSOXSTYKLNHDLH-VQIMIIECSA-N 2 2 314.448 3.519 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000438102118 338331520 /nfs/dbraw/zinc/33/15/20/338331520.db2.gz CYXTWRKTXBDZQZ-FZKQIMNGSA-N 2 2 312.392 3.587 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000438102118 338331521 /nfs/dbraw/zinc/33/15/21/338331521.db2.gz CYXTWRKTXBDZQZ-FZKQIMNGSA-N 2 2 312.392 3.587 20 0 DHADLP FC(F)C1CCC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000442716547 338428810 /nfs/dbraw/zinc/42/88/10/338428810.db2.gz OHRFQJIOCDWETA-UHFFFAOYSA-N 2 2 319.399 3.845 20 0 DHADLP CCc1ccc([C@@H](C[NH2+]C2CCC(COC)CC2)[NH+](C)C)cc1 ZINC000449061297 338589379 /nfs/dbraw/zinc/58/93/79/338589379.db2.gz FVGVECDOAAJEHR-LYBXBRPPSA-N 2 2 318.505 3.647 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449066505 338590041 /nfs/dbraw/zinc/59/00/41/338590041.db2.gz CGPRKMPCMZJGFX-AWEZNQCLSA-N 2 2 312.379 3.554 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449219192 338603459 /nfs/dbraw/zinc/60/34/59/338603459.db2.gz MOEFTXGNUDSFJJ-UHFFFAOYSA-N 2 2 312.457 3.812 20 0 DHADLP Cc1ccc(CCC[NH2+]C2(Cc3ccccc3)CCOCC2)c[nH+]1 ZINC000449717326 338647702 /nfs/dbraw/zinc/64/77/02/338647702.db2.gz MTYSUQFZATTWEQ-UHFFFAOYSA-N 2 2 324.468 3.704 20 0 DHADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCC1 ZINC000453065268 338789517 /nfs/dbraw/zinc/78/95/17/338789517.db2.gz TZBTZMSZHPWRQL-IBGZPJMESA-N 2 2 301.478 3.604 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453100899 338793905 /nfs/dbraw/zinc/79/39/05/338793905.db2.gz XILGUZQGKQPMRH-MRXNPFEDSA-N 2 2 322.456 3.741 20 0 DHADLP Cc1cc(F)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000459325031 339021870 /nfs/dbraw/zinc/02/18/70/339021870.db2.gz LNIAQSPLEUIHMI-UHFFFAOYSA-N 2 2 307.800 3.821 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000459333224 339022495 /nfs/dbraw/zinc/02/24/95/339022495.db2.gz ZYGDZNIBNJKFLS-UHFFFAOYSA-N 2 2 317.436 3.905 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000459333224 339022496 /nfs/dbraw/zinc/02/24/96/339022496.db2.gz ZYGDZNIBNJKFLS-UHFFFAOYSA-N 2 2 317.436 3.905 20 0 DHADLP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1CCc1c[nH+]cn1C ZINC000459341510 339023049 /nfs/dbraw/zinc/02/30/49/339023049.db2.gz JMBTUKZBBOMSHF-NSHDSACASA-N 2 2 324.255 3.889 20 0 DHADLP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459341510 339023050 /nfs/dbraw/zinc/02/30/50/339023050.db2.gz JMBTUKZBBOMSHF-NSHDSACASA-N 2 2 324.255 3.889 20 0 DHADLP C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1CCc1c[nH+]cn1C ZINC000459347420 339023343 /nfs/dbraw/zinc/02/33/43/339023343.db2.gz RCIAAZMJXLNVDR-LLVKDONJSA-N 2 2 324.255 3.889 20 0 DHADLP C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459347420 339023344 /nfs/dbraw/zinc/02/33/44/339023344.db2.gz RCIAAZMJXLNVDR-LLVKDONJSA-N 2 2 324.255 3.889 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cnc(C2CC2)nc1)c1ccccc1 ZINC000459420290 339028189 /nfs/dbraw/zinc/02/81/89/339028189.db2.gz VVBPMQUPKDUVMC-OAHLLOKOSA-N 2 2 324.472 3.573 20 0 DHADLP CCC1(Cc2ccccc2)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459449499 339029804 /nfs/dbraw/zinc/02/98/04/339029804.db2.gz SIYFIKOFZJHVKN-UHFFFAOYSA-N 2 2 311.473 3.698 20 0 DHADLP C[C@H](C[NH2+]CCc1cn(C)c[nH+]1)Cc1ccc(C(C)(C)C)cc1 ZINC000459664829 339041551 /nfs/dbraw/zinc/04/15/51/339041551.db2.gz QHKBVBZOPLFKHX-INIZCTEOSA-N 2 2 313.489 3.729 20 0 DHADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C1CCC1 ZINC000459777761 339047973 /nfs/dbraw/zinc/04/79/73/339047973.db2.gz YIIMBGFBDDMZSI-LJQANCHMSA-N 2 2 301.478 3.604 20 0 DHADLP CCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000166942935 339053354 /nfs/dbraw/zinc/05/33/54/339053354.db2.gz INCPGIQKCGSFGX-AWEZNQCLSA-N 2 2 319.792 3.593 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000463010339 339100367 /nfs/dbraw/zinc/10/03/67/339100367.db2.gz MORAIRLAMNZGOL-YZVOILCLSA-N 2 2 316.489 3.997 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000463010339 339100368 /nfs/dbraw/zinc/10/03/68/339100368.db2.gz MORAIRLAMNZGOL-YZVOILCLSA-N 2 2 316.489 3.997 20 0 DHADLP CC(C)O[C@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1(C)C ZINC000463023821 339100973 /nfs/dbraw/zinc/10/09/73/339100973.db2.gz MSTSTIUWTFSCLO-IRXDYDNUSA-N 2 2 315.461 3.677 20 0 DHADLP CC1=CC[N@H+](CC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000466359226 339200666 /nfs/dbraw/zinc/20/06/66/339200666.db2.gz KRMALASBJDLQMZ-UHFFFAOYSA-N 2 2 304.400 3.597 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000466359226 339200667 /nfs/dbraw/zinc/20/06/67/339200667.db2.gz KRMALASBJDLQMZ-UHFFFAOYSA-N 2 2 304.400 3.597 20 0 DHADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000467311777 339231200 /nfs/dbraw/zinc/23/12/00/339231200.db2.gz WADNGVMHLLJHHA-OALUTQOASA-N 2 2 315.505 3.882 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC000467312704 339231330 /nfs/dbraw/zinc/23/13/30/339231330.db2.gz IAJJZPCYKRUYLA-IPMKNSEASA-N 2 2 315.505 3.880 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000468406235 339262221 /nfs/dbraw/zinc/26/22/21/339262221.db2.gz VCTVDXSYUBYHRF-UHFFFAOYSA-N 2 2 316.489 3.926 20 0 DHADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000469874964 339303505 /nfs/dbraw/zinc/30/35/05/339303505.db2.gz YGJLOMOSRHPPQU-VHSXEESVSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000469874964 339303506 /nfs/dbraw/zinc/30/35/06/339303506.db2.gz YGJLOMOSRHPPQU-VHSXEESVSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471592844 339348523 /nfs/dbraw/zinc/34/85/23/339348523.db2.gz HISMRELLOSCRKC-LTDKPHRXSA-N 2 2 304.478 3.614 20 0 DHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000472053446 339360205 /nfs/dbraw/zinc/36/02/05/339360205.db2.gz NFLZUAJQPVQKBV-QWHCGFSZSA-N 2 2 315.914 3.787 20 0 DHADLP Cc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000472081242 339363140 /nfs/dbraw/zinc/36/31/40/339363140.db2.gz ZDCCTPFOVBOVMQ-HNAYVOBHSA-N 2 2 300.421 3.915 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472451180 339372321 /nfs/dbraw/zinc/37/23/21/339372321.db2.gz KHYXAWLHXLSOQH-DZGCQCFKSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472451180 339372322 /nfs/dbraw/zinc/37/23/22/339372322.db2.gz KHYXAWLHXLSOQH-DZGCQCFKSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472451180 339372323 /nfs/dbraw/zinc/37/23/23/339372323.db2.gz KHYXAWLHXLSOQH-DZGCQCFKSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472451180 339372324 /nfs/dbraw/zinc/37/23/24/339372324.db2.gz KHYXAWLHXLSOQH-DZGCQCFKSA-N 2 2 308.416 3.690 20 0 DHADLP Oc1cc(F)cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000473140633 339382373 /nfs/dbraw/zinc/38/23/73/339382373.db2.gz DKEGIWGLTKEVQG-INIZCTEOSA-N 2 2 320.452 3.619 20 0 DHADLP Oc1cc(F)cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000473140633 339382374 /nfs/dbraw/zinc/38/23/74/339382374.db2.gz DKEGIWGLTKEVQG-INIZCTEOSA-N 2 2 320.452 3.619 20 0 DHADLP Cc1ccc2[nH]c(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2c1C ZINC000473147995 339382987 /nfs/dbraw/zinc/38/29/87/339382987.db2.gz YEGKOACLVIBUMU-UHFFFAOYSA-N 2 2 311.473 3.845 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCC(F)(F)CC1 ZINC000474060320 339399901 /nfs/dbraw/zinc/39/99/01/339399901.db2.gz RFIGOENVWDZQRB-HIFRSBDPSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCC(F)(F)CC1 ZINC000474060320 339399902 /nfs/dbraw/zinc/39/99/02/339399902.db2.gz RFIGOENVWDZQRB-HIFRSBDPSA-N 2 2 300.437 3.807 20 0 DHADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000474483589 339417151 /nfs/dbraw/zinc/41/71/51/339417151.db2.gz XHLGFGPJEVADAX-UFYCRDLUSA-N 2 2 316.489 3.618 20 0 DHADLP CC1CCC(C)(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000475431633 339451296 /nfs/dbraw/zinc/45/12/96/339451296.db2.gz VMCRLCHOQVHVHM-UHFFFAOYSA-N 2 2 301.478 3.856 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000482619861 339637565 /nfs/dbraw/zinc/63/75/65/339637565.db2.gz RPGRZRFTGBWHCC-MSOLQXFVSA-N 2 2 310.526 3.680 20 0 DHADLP CC(C)([C@@H]([NH2+]CCCF)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000484543666 339689481 /nfs/dbraw/zinc/68/94/81/339689481.db2.gz LKOXKZLAYCJXCC-INIZCTEOSA-N 2 2 314.395 3.830 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+]C[C@@H]2CCSC2)c2ccccc2)CC1 ZINC000486962001 339740321 /nfs/dbraw/zinc/74/03/21/339740321.db2.gz XKJUZOVWTGUNFO-PKOBYXMFSA-N 2 2 318.530 3.802 20 0 DHADLP Cc1ccc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000494406894 339948339 /nfs/dbraw/zinc/94/83/39/339948339.db2.gz RDSFZVXHXHRQOO-INIZCTEOSA-N 2 2 307.397 3.556 20 0 DHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CCCCC2CCOCC2)C1 ZINC000499525339 340038693 /nfs/dbraw/zinc/03/86/93/340038693.db2.gz ZQFNTCVCWOWALD-NSHGMRRFSA-N 2 2 322.537 3.921 20 0 DHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CCCCC2CCOCC2)C1 ZINC000499525339 340038694 /nfs/dbraw/zinc/03/86/94/340038694.db2.gz ZQFNTCVCWOWALD-NSHGMRRFSA-N 2 2 322.537 3.921 20 0 DHADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000499525339 340038695 /nfs/dbraw/zinc/03/86/95/340038695.db2.gz ZQFNTCVCWOWALD-NSHGMRRFSA-N 2 2 322.537 3.921 20 0 DHADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000499525339 340038696 /nfs/dbraw/zinc/03/86/96/340038696.db2.gz ZQFNTCVCWOWALD-NSHGMRRFSA-N 2 2 322.537 3.921 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2Cl)C[N@@H+]1C1CC1 ZINC000499671783 340042541 /nfs/dbraw/zinc/04/25/41/340042541.db2.gz QMFJKFUKQSMWOS-AAEUAGOBSA-N 2 2 313.272 3.751 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2Cl)C[N@H+]1C1CC1 ZINC000499671783 340042542 /nfs/dbraw/zinc/04/25/42/340042542.db2.gz QMFJKFUKQSMWOS-AAEUAGOBSA-N 2 2 313.272 3.751 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C[N@@H+]1C1CC1 ZINC000499697311 340042849 /nfs/dbraw/zinc/04/28/49/340042849.db2.gz LOTDCQSPDVKBSX-PPWQZUPISA-N 2 2 304.865 3.801 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C[N@H+]1C1CC1 ZINC000499697311 340042850 /nfs/dbraw/zinc/04/28/50/340042850.db2.gz LOTDCQSPDVKBSX-PPWQZUPISA-N 2 2 304.865 3.801 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000500445669 340058949 /nfs/dbraw/zinc/05/89/49/340058949.db2.gz JFKHHUNHTXSSMC-IEBWSBKVSA-N 2 2 306.494 3.546 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000500445669 340058950 /nfs/dbraw/zinc/05/89/50/340058950.db2.gz JFKHHUNHTXSSMC-IEBWSBKVSA-N 2 2 306.494 3.546 20 0 DHADLP CCc1cc(OC)ccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000501466908 340081713 /nfs/dbraw/zinc/08/17/13/340081713.db2.gz LNVILEYWDJOLRY-UHFFFAOYSA-N 2 2 313.445 3.635 20 0 DHADLP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000502054511 340094160 /nfs/dbraw/zinc/09/41/60/340094160.db2.gz SFLTUJZZNVISTF-WOJBJXKFSA-N 2 2 316.489 3.577 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000502698722 340111175 /nfs/dbraw/zinc/11/11/75/340111175.db2.gz GRWAMZZIQPPPSJ-MDNKFWRPSA-N 2 2 316.489 3.617 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000502698722 340111176 /nfs/dbraw/zinc/11/11/76/340111176.db2.gz GRWAMZZIQPPPSJ-MDNKFWRPSA-N 2 2 316.489 3.617 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000401279711 340167014 /nfs/dbraw/zinc/16/70/14/340167014.db2.gz CNCNCECFHHITQY-IAGOWNOFSA-N 2 2 301.478 3.856 20 0 DHADLP CCC[N@H+](C)[C@@H](C[NH2+][C@H](C)CCOC)c1ccc(Cl)cc1 ZINC000506609174 340197555 /nfs/dbraw/zinc/19/75/55/340197555.db2.gz BSSWUKYIUAPMSC-PBHICJAKSA-N 2 2 312.885 3.738 20 0 DHADLP CCC[N@@H+](C)[C@@H](C[NH2+][C@H](C)CCOC)c1ccc(Cl)cc1 ZINC000506609174 340197556 /nfs/dbraw/zinc/19/75/56/340197556.db2.gz BSSWUKYIUAPMSC-PBHICJAKSA-N 2 2 312.885 3.738 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@H]1C ZINC000507465571 340221113 /nfs/dbraw/zinc/22/11/13/340221113.db2.gz BHKHDXBLPOOVLX-VNHYZAJKSA-N 2 2 306.416 3.818 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000507472015 340221460 /nfs/dbraw/zinc/22/14/60/340221460.db2.gz PYKPXKGNPLWOMF-OAHLLOKOSA-N 2 2 301.478 3.702 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@H](C)C1 ZINC000507510877 340223438 /nfs/dbraw/zinc/22/34/38/340223438.db2.gz NILNPSBGYRWPJL-UMVBOHGHSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000507519547 340223958 /nfs/dbraw/zinc/22/39/58/340223958.db2.gz IPNLAIKHUAHDSU-CYBMUJFWSA-N 2 2 306.416 3.962 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccccc1 ZINC000507521723 340224262 /nfs/dbraw/zinc/22/42/62/340224262.db2.gz ADTRWQDIZIMRPN-XYJFISCASA-N 2 2 304.478 3.521 20 0 DHADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@H]1CCCF)Cc1ccccc1 ZINC000510717034 340307888 /nfs/dbraw/zinc/30/78/88/340307888.db2.gz GIQLQFLZBFIEBZ-FHWLQOOXSA-N 2 2 306.469 3.667 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511647451 340333742 /nfs/dbraw/zinc/33/37/42/340333742.db2.gz KDBVGXHTJKEJNK-JTSKRJEESA-N 2 2 320.480 3.891 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511647451 340333743 /nfs/dbraw/zinc/33/37/43/340333743.db2.gz KDBVGXHTJKEJNK-JTSKRJEESA-N 2 2 320.480 3.891 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC000512178303 340351159 /nfs/dbraw/zinc/35/11/59/340351159.db2.gz IVNPNRAUJNSBCT-MRXNPFEDSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)CC1 ZINC000512178303 340351160 /nfs/dbraw/zinc/35/11/60/340351160.db2.gz IVNPNRAUJNSBCT-MRXNPFEDSA-N 2 2 322.443 3.909 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512238191 340353559 /nfs/dbraw/zinc/35/35/59/340353559.db2.gz YNGNIFSCTIUERG-NRFANRHFSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512238191 340353560 /nfs/dbraw/zinc/35/35/60/340353560.db2.gz YNGNIFSCTIUERG-NRFANRHFSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512238191 340353561 /nfs/dbraw/zinc/35/35/61/340353561.db2.gz YNGNIFSCTIUERG-NRFANRHFSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512238191 340353562 /nfs/dbraw/zinc/35/35/62/340353562.db2.gz YNGNIFSCTIUERG-NRFANRHFSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512245259 340353903 /nfs/dbraw/zinc/35/39/03/340353903.db2.gz QZJWJRUDLNNXMO-OAQYLSRUSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512245259 340353904 /nfs/dbraw/zinc/35/39/04/340353904.db2.gz QZJWJRUDLNNXMO-OAQYLSRUSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000512245259 340353905 /nfs/dbraw/zinc/35/39/05/340353905.db2.gz QZJWJRUDLNNXMO-OAQYLSRUSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000512245259 340353906 /nfs/dbraw/zinc/35/39/06/340353906.db2.gz QZJWJRUDLNNXMO-OAQYLSRUSA-N 2 2 324.443 3.924 20 0 DHADLP C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H](c1ccccc1)[NH+](C)C ZINC000185677371 340504168 /nfs/dbraw/zinc/50/41/68/340504168.db2.gz VKPNGQKUFRLWPE-IIBYNOLFSA-N 2 2 322.452 3.743 20 0 DHADLP c1ccc(COc2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)cc2)cc1 ZINC000530179658 340782006 /nfs/dbraw/zinc/78/20/06/340782006.db2.gz ZSFSRHBGBRBLIP-HXUWFJFHSA-N 2 2 322.452 3.640 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000530226279 340783138 /nfs/dbraw/zinc/78/31/38/340783138.db2.gz ZLJXAWFWVTZDMT-CABCVRRESA-N 2 2 323.278 3.774 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530222740 340783171 /nfs/dbraw/zinc/78/31/71/340783171.db2.gz RKIBYOFLQISHKP-WBMJQRKESA-N 2 2 308.853 3.674 20 0 DHADLP Fc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000538061640 340808567 /nfs/dbraw/zinc/80/85/67/340808567.db2.gz BJWIQWUNOOQKFV-LJQANCHMSA-N 2 2 313.420 3.642 20 0 DHADLP CCCc1cc(NCCCCn2cc[nH+]c2)c2ccccc2[nH+]1 ZINC000538706686 340838944 /nfs/dbraw/zinc/83/89/44/340838944.db2.gz RAMNEKYIQCYOAA-UHFFFAOYSA-N 2 2 308.429 3.698 20 0 DHADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000128233898 340862540 /nfs/dbraw/zinc/86/25/40/340862540.db2.gz USPXHYBNXFIJNI-GQCTYLIASA-N 2 2 323.415 3.948 20 0 DHADLP COc1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)C(C)C)cc1 ZINC000539218096 340877066 /nfs/dbraw/zinc/87/70/66/340877066.db2.gz SCNSRQGXPZLDKO-LJQANCHMSA-N 2 2 313.445 3.879 20 0 DHADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@@H]1CCCO1 ZINC000542477052 341009140 /nfs/dbraw/zinc/00/91/40/341009140.db2.gz BTPCWUYQDSHUSA-RLLQIKCJSA-N 2 2 316.489 3.617 20 0 DHADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cc1F ZINC000130583748 341029502 /nfs/dbraw/zinc/02/95/02/341029502.db2.gz RDLLKKVNJPCJHP-LBPRGKRZSA-N 2 2 301.340 3.506 20 0 DHADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cc(F)cc(F)c1 ZINC000130628940 341034664 /nfs/dbraw/zinc/03/46/64/341034664.db2.gz VNZURTXMYGICKQ-LBPRGKRZSA-N 2 2 301.340 3.506 20 0 DHADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cnc2ccsc2c1 ZINC000130656426 341037067 /nfs/dbraw/zinc/03/70/67/341037067.db2.gz WTPBTJFVVZTOOQ-ZDUSSCGKSA-N 2 2 322.437 3.837 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000072051996 341057938 /nfs/dbraw/zinc/05/79/38/341057938.db2.gz BLXQLAAFUKNPCF-GOSISDBHSA-N 2 2 304.453 3.770 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000072051996 341057939 /nfs/dbraw/zinc/05/79/39/341057939.db2.gz BLXQLAAFUKNPCF-GOSISDBHSA-N 2 2 304.453 3.770 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000544829343 341095218 /nfs/dbraw/zinc/09/52/18/341095218.db2.gz IKMWBGIMDHNSGF-FVQBIDKESA-N 2 2 314.395 3.828 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000544829343 341095219 /nfs/dbraw/zinc/09/52/19/341095219.db2.gz IKMWBGIMDHNSGF-FVQBIDKESA-N 2 2 314.395 3.828 20 0 DHADLP c1cn(CC[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000133376339 341174166 /nfs/dbraw/zinc/17/41/66/341174166.db2.gz WCYIHZWXQPBAOI-NRFANRHFSA-N 2 2 317.436 3.725 20 0 DHADLP c1cn(CC[N@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)c[nH+]1 ZINC000133376339 341174167 /nfs/dbraw/zinc/17/41/67/341174167.db2.gz WCYIHZWXQPBAOI-NRFANRHFSA-N 2 2 317.436 3.725 20 0 DHADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000546689248 341178909 /nfs/dbraw/zinc/17/89/09/341178909.db2.gz VNSPEERVELJGOG-ROUUACIJSA-N 2 2 312.461 3.683 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC000237492614 341214874 /nfs/dbraw/zinc/21/48/74/341214874.db2.gz ZNEYEMBAOVMUOG-APWZRJJASA-N 2 2 319.452 3.921 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@H+]1Cc1ccccc1 ZINC000237492614 341214875 /nfs/dbraw/zinc/21/48/75/341214875.db2.gz ZNEYEMBAOVMUOG-APWZRJJASA-N 2 2 319.452 3.921 20 0 DHADLP c1cc2c(s1)CC[NH+](CCC[N@@H+]1CCc3sccc3C1)C2 ZINC000077248304 341221599 /nfs/dbraw/zinc/22/15/99/341221599.db2.gz YPPPXGLWKWUVFM-UHFFFAOYSA-N 2 2 318.511 3.616 20 0 DHADLP c1cc2c(s1)CC[NH+](CCC[N@H+]1CCc3sccc3C1)C2 ZINC000077248304 341221600 /nfs/dbraw/zinc/22/16/00/341221600.db2.gz YPPPXGLWKWUVFM-UHFFFAOYSA-N 2 2 318.511 3.616 20 0 DHADLP COc1cccc(Cl)c1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000134779603 341224008 /nfs/dbraw/zinc/22/40/08/341224008.db2.gz VWPBKAGVZCVLNV-CQSZACIVSA-N 2 2 310.869 3.703 20 0 DHADLP COc1cccc(Cl)c1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000134779603 341224009 /nfs/dbraw/zinc/22/40/09/341224009.db2.gz VWPBKAGVZCVLNV-CQSZACIVSA-N 2 2 310.869 3.703 20 0 DHADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1([NH+]2CCSCC2)CCCCC1 ZINC000549033862 341284019 /nfs/dbraw/zinc/28/40/19/341284019.db2.gz DKPUTUKKMXZLOB-BBWFWOEESA-N 2 2 308.535 3.516 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCSc2ccccc2F)C1 ZINC000081516893 341294450 /nfs/dbraw/zinc/29/44/50/341294450.db2.gz VGCOGKSSMANDIM-OAHLLOKOSA-N 2 2 310.482 3.582 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCSc2ccccc2F)C1 ZINC000081516893 341294451 /nfs/dbraw/zinc/29/44/51/341294451.db2.gz VGCOGKSSMANDIM-OAHLLOKOSA-N 2 2 310.482 3.582 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC000081516893 341294452 /nfs/dbraw/zinc/29/44/52/341294452.db2.gz VGCOGKSSMANDIM-OAHLLOKOSA-N 2 2 310.482 3.582 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCSc2ccccc2F)C1 ZINC000081516893 341294453 /nfs/dbraw/zinc/29/44/53/341294453.db2.gz VGCOGKSSMANDIM-OAHLLOKOSA-N 2 2 310.482 3.582 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)[NH+](CC)CC)cc1 ZINC000550846812 341324337 /nfs/dbraw/zinc/32/43/37/341324337.db2.gz GYIKWJCCOHATSU-DBVUQKKJSA-N 2 2 318.505 3.647 20 0 DHADLP CC(F)(F)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000551262599 341335801 /nfs/dbraw/zinc/33/58/01/341335801.db2.gz DLJCCONYQQCSTE-BRWVUGGUSA-N 2 2 308.416 3.532 20 0 DHADLP CC(F)(F)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000551262599 341335802 /nfs/dbraw/zinc/33/58/02/341335802.db2.gz DLJCCONYQQCSTE-BRWVUGGUSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551263823 341335917 /nfs/dbraw/zinc/33/59/17/341335917.db2.gz UHUFCBYOHBZLPA-DYVFJYSZSA-N 2 2 300.471 3.516 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551263823 341335918 /nfs/dbraw/zinc/33/59/18/341335918.db2.gz UHUFCBYOHBZLPA-DYVFJYSZSA-N 2 2 300.471 3.516 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551520346 341343614 /nfs/dbraw/zinc/34/36/14/341343614.db2.gz MUXOIIHJQBSGEJ-DOMZBBRYSA-N 2 2 312.910 3.797 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551520346 341343615 /nfs/dbraw/zinc/34/36/15/341343615.db2.gz MUXOIIHJQBSGEJ-DOMZBBRYSA-N 2 2 312.910 3.797 20 0 DHADLP CCCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246445054 341349058 /nfs/dbraw/zinc/34/90/58/341349058.db2.gz NMLQECNSZYMKKX-LPHOPBHVSA-N 2 2 313.445 3.755 20 0 DHADLP CCCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246445054 341349059 /nfs/dbraw/zinc/34/90/59/341349059.db2.gz NMLQECNSZYMKKX-LPHOPBHVSA-N 2 2 313.445 3.755 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc(C)c1F ZINC000551817866 341352993 /nfs/dbraw/zinc/35/29/93/341352993.db2.gz LSCWQXJMXBWKND-CQSZACIVSA-N 2 2 301.409 3.826 20 0 DHADLP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246586835 341354049 /nfs/dbraw/zinc/35/40/49/341354049.db2.gz ZDSXDWKREHOUNS-PKOBYXMFSA-N 2 2 317.521 3.954 20 0 DHADLP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246586835 341354050 /nfs/dbraw/zinc/35/40/50/341354050.db2.gz ZDSXDWKREHOUNS-PKOBYXMFSA-N 2 2 317.521 3.954 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246675167 341355459 /nfs/dbraw/zinc/35/54/59/341355459.db2.gz JORJSKPOZXQKDA-YJBOKZPZSA-N 2 2 316.489 3.729 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000246675167 341355460 /nfs/dbraw/zinc/35/54/60/341355460.db2.gz JORJSKPOZXQKDA-YJBOKZPZSA-N 2 2 316.489 3.729 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000246675167 341355461 /nfs/dbraw/zinc/35/54/61/341355461.db2.gz JORJSKPOZXQKDA-YJBOKZPZSA-N 2 2 316.489 3.729 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000246675167 341355462 /nfs/dbraw/zinc/35/54/62/341355462.db2.gz JORJSKPOZXQKDA-YJBOKZPZSA-N 2 2 316.489 3.729 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000246693181 341355833 /nfs/dbraw/zinc/35/58/33/341355833.db2.gz YYFICKALNRSHFP-WMLDXEAASA-N 2 2 315.486 3.630 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000246693181 341355834 /nfs/dbraw/zinc/35/58/34/341355834.db2.gz YYFICKALNRSHFP-WMLDXEAASA-N 2 2 315.486 3.630 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247155931 341361490 /nfs/dbraw/zinc/36/14/90/341361490.db2.gz SGLXWGQSUXVPMQ-GOEBONIOSA-N 2 2 308.416 3.976 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247155931 341361491 /nfs/dbraw/zinc/36/14/91/341361491.db2.gz SGLXWGQSUXVPMQ-GOEBONIOSA-N 2 2 308.416 3.976 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247155918 341361520 /nfs/dbraw/zinc/36/15/20/341361520.db2.gz SGLXWGQSUXVPMQ-GDBMZVCRSA-N 2 2 308.416 3.976 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247155918 341361521 /nfs/dbraw/zinc/36/15/21/341361521.db2.gz SGLXWGQSUXVPMQ-GDBMZVCRSA-N 2 2 308.416 3.976 20 0 DHADLP COc1cccc([C@H](C[NH2+][C@H]2CC=C(C)CC2)[NH+]2CCCC2)c1 ZINC000552095735 341369449 /nfs/dbraw/zinc/36/94/49/341369449.db2.gz OHADKNOXAZQHRR-ICSRJNTNSA-N 2 2 314.473 3.921 20 0 DHADLP CSCCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248572759 341380260 /nfs/dbraw/zinc/38/02/60/341380260.db2.gz RQJQHCCWXRQJNA-SJLPKXTDSA-N 2 2 306.519 3.630 20 0 DHADLP CSCCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248572759 341380261 /nfs/dbraw/zinc/38/02/61/341380261.db2.gz RQJQHCCWXRQJNA-SJLPKXTDSA-N 2 2 306.519 3.630 20 0 DHADLP CCc1ccc([C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000552272852 341382731 /nfs/dbraw/zinc/38/27/31/341382731.db2.gz FIAFSGNFESRVJM-SFHVURJKSA-N 2 2 305.425 3.886 20 0 DHADLP CCc1ccc([C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000552272852 341382732 /nfs/dbraw/zinc/38/27/32/341382732.db2.gz FIAFSGNFESRVJM-SFHVURJKSA-N 2 2 305.425 3.886 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000552277426 341383353 /nfs/dbraw/zinc/38/33/53/341383353.db2.gz VFZWTVZFCJMLDN-AWEZNQCLSA-N 2 2 304.384 3.822 20 0 DHADLP CCC[N@H+](C)[C@@H](C[NH2+][C@H](C)COCC)c1ccc(Cl)cc1 ZINC000552322497 341386468 /nfs/dbraw/zinc/38/64/68/341386468.db2.gz PHGCPIOOFPAPFL-PBHICJAKSA-N 2 2 312.885 3.738 20 0 DHADLP CCC[N@@H+](C)[C@@H](C[NH2+][C@H](C)COCC)c1ccc(Cl)cc1 ZINC000552322497 341386469 /nfs/dbraw/zinc/38/64/69/341386469.db2.gz PHGCPIOOFPAPFL-PBHICJAKSA-N 2 2 312.885 3.738 20 0 DHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cccnc1 ZINC000249055595 341392756 /nfs/dbraw/zinc/39/27/56/341392756.db2.gz XNFDIYJBXIGJSI-XLIONFOSSA-N 2 2 311.473 3.889 20 0 DHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cccnc1 ZINC000249055595 341392757 /nfs/dbraw/zinc/39/27/57/341392757.db2.gz XNFDIYJBXIGJSI-XLIONFOSSA-N 2 2 311.473 3.889 20 0 DHADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000554376962 341452453 /nfs/dbraw/zinc/45/24/53/341452453.db2.gz YOOIGGKKVMXTNT-GXTWGEPZSA-N 2 2 300.899 3.750 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000556202334 341497095 /nfs/dbraw/zinc/49/70/95/341497095.db2.gz LYRVFFCTNXFWRA-PIMMBPRGSA-N 2 2 304.400 3.572 20 0 DHADLP CC[NH+](CC)[C@@H](CN[C@@H](C)c1cn2ccccc2[nH+]1)CC(C)C ZINC000556237991 341498532 /nfs/dbraw/zinc/49/85/32/341498532.db2.gz HYQXENQRNLIWIT-DLBZAZTESA-N 2 2 316.493 3.741 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1C ZINC000566748904 341567076 /nfs/dbraw/zinc/56/70/76/341567076.db2.gz OWBZEZFPIMXEMQ-ZBFHGGJFSA-N 2 2 303.837 3.808 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000567084880 341578967 /nfs/dbraw/zinc/57/89/67/341578967.db2.gz DUGJCPDYCMXQAJ-UHFFFAOYSA-N 2 2 310.441 3.618 20 0 DHADLP CCCC[C@H](COC)[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000155883876 341614343 /nfs/dbraw/zinc/61/43/43/341614343.db2.gz HSPKTGSUBVKYQJ-MRXNPFEDSA-N 2 2 303.450 3.530 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1nc2c(s1)CCCC2 ZINC000575914162 341814326 /nfs/dbraw/zinc/81/43/26/341814326.db2.gz KRTRGAHKLYBWHV-ZDUSSCGKSA-N 2 2 307.507 3.724 20 0 DHADLP CC(C)(C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)[NH+]1CCCCC1 ZINC000337331611 519269670 /nfs/dbraw/zinc/26/96/70/519269670.db2.gz HMKKCVWRKIOSTD-IEBWSBKVSA-N 2 2 315.505 3.962 20 0 DHADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365652173 519783067 /nfs/dbraw/zinc/78/30/67/519783067.db2.gz ZGLBYQIUCBVVHX-KRWDZBQOSA-N 2 2 313.445 3.587 20 0 DHADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365652173 519783068 /nfs/dbraw/zinc/78/30/68/519783068.db2.gz ZGLBYQIUCBVVHX-KRWDZBQOSA-N 2 2 313.445 3.587 20 0 DHADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365652174 519783077 /nfs/dbraw/zinc/78/30/77/519783077.db2.gz ZGLBYQIUCBVVHX-QGZVFWFLSA-N 2 2 313.445 3.587 20 0 DHADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365652174 519783078 /nfs/dbraw/zinc/78/30/78/519783078.db2.gz ZGLBYQIUCBVVHX-QGZVFWFLSA-N 2 2 313.445 3.587 20 0 DHADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156367434 519784227 /nfs/dbraw/zinc/78/42/27/519784227.db2.gz YXRIGWUELKOTGB-SFHVURJKSA-N 2 2 312.413 3.522 20 0 DHADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156367434 519784228 /nfs/dbraw/zinc/78/42/28/519784228.db2.gz YXRIGWUELKOTGB-SFHVURJKSA-N 2 2 312.413 3.522 20 0 DHADLP CCCCOc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367697838 520875540 /nfs/dbraw/zinc/87/55/40/520875540.db2.gz CWHUGLGOWIPDDV-QGZVFWFLSA-N 2 2 313.445 3.589 20 0 DHADLP CCCCOc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367697838 520875552 /nfs/dbraw/zinc/87/55/52/520875552.db2.gz CWHUGLGOWIPDDV-QGZVFWFLSA-N 2 2 313.445 3.589 20 0 DHADLP CCC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccsc1 ZINC000191199364 521164640 /nfs/dbraw/zinc/16/46/40/521164640.db2.gz HUUGRYOZXOCYMN-INIZCTEOSA-N 2 2 312.442 3.960 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000130690261 521257821 /nfs/dbraw/zinc/25/78/21/521257821.db2.gz RVNLZVCHWMZAJG-HNNXBMFYSA-N 2 2 309.413 3.626 20 0 DHADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180798237 521717514 /nfs/dbraw/zinc/71/75/14/521717514.db2.gz LBYFVRUPTKMORF-OAHLLOKOSA-N 2 2 300.402 3.503 20 0 DHADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180798237 521717515 /nfs/dbraw/zinc/71/75/15/521717515.db2.gz LBYFVRUPTKMORF-OAHLLOKOSA-N 2 2 300.402 3.503 20 0 DHADLP CCc1[nH+]c2cc(CNc3cc[nH+]cc3C)ccc2n1C1CC1 ZINC000338484600 522483311 /nfs/dbraw/zinc/48/33/11/522483311.db2.gz PVYYVFDFZPLNPD-UHFFFAOYSA-N 2 2 306.413 3.671 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1ccco1 ZINC000156629393 522731477 /nfs/dbraw/zinc/73/14/77/522731477.db2.gz XBVPYMHPKOUBDQ-JQHSSLGASA-N 2 2 320.477 3.600 20 0 DHADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157349922 524205347 /nfs/dbraw/zinc/20/53/47/524205347.db2.gz NATCCHFKDCADOI-KRWDZBQOSA-N 2 2 322.880 3.799 20 0 DHADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157349922 524205354 /nfs/dbraw/zinc/20/53/54/524205354.db2.gz NATCCHFKDCADOI-KRWDZBQOSA-N 2 2 322.880 3.799 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cccc3cccnc32)C[C@@H]1n1cc[nH+]c1 ZINC000156525370 524297533 /nfs/dbraw/zinc/29/75/33/524297533.db2.gz SBUIGDKXNYBCQP-YJBOKZPZSA-N 2 2 306.413 3.514 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C[C@@H]1n1cc[nH+]c1 ZINC000156525370 524297538 /nfs/dbraw/zinc/29/75/38/524297538.db2.gz SBUIGDKXNYBCQP-YJBOKZPZSA-N 2 2 306.413 3.514 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337342290 524363161 /nfs/dbraw/zinc/36/31/61/524363161.db2.gz RCXHIHOQKNGNHT-AJYBTWMASA-N 2 2 315.505 3.960 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337342290 524363172 /nfs/dbraw/zinc/36/31/72/524363172.db2.gz RCXHIHOQKNGNHT-AJYBTWMASA-N 2 2 315.505 3.960 20 0 DHADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)Cc1ccccc1 ZINC000182054084 524482568 /nfs/dbraw/zinc/48/25/68/524482568.db2.gz CRMSYLKHKBNECY-SFHVURJKSA-N 2 2 323.484 3.514 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C[C@@H]1n1cc[nH+]c1 ZINC000156554013 524511614 /nfs/dbraw/zinc/51/16/14/524511614.db2.gz AJLFVGHKSJVIMO-KDOFPFPSSA-N 2 2 324.403 3.654 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C[C@@H]1n1cc[nH+]c1 ZINC000156554013 524511625 /nfs/dbraw/zinc/51/16/25/524511625.db2.gz AJLFVGHKSJVIMO-KDOFPFPSSA-N 2 2 324.403 3.654 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156166502 524723924 /nfs/dbraw/zinc/72/39/24/524723924.db2.gz PFMHYBHAQHTPJI-CQSZACIVSA-N 2 2 309.413 3.855 20 0 DHADLP C[C@@H](C[NH2+]Cc1cc(Cl)cc2cccnc21)Cn1cc[nH+]c1 ZINC000178331732 524740702 /nfs/dbraw/zinc/74/07/02/524740702.db2.gz CZFZDTZCNLKRRF-ZDUSSCGKSA-N 2 2 314.820 3.511 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157540427 524840697 /nfs/dbraw/zinc/84/06/97/524840697.db2.gz QEQAJEGOHOTUSC-LRDDRELGSA-N 2 2 303.837 3.590 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157540427 524840702 /nfs/dbraw/zinc/84/07/02/524840702.db2.gz QEQAJEGOHOTUSC-LRDDRELGSA-N 2 2 303.837 3.590 20 0 DHADLP Cc1cc(N2CCC([N@@H+](C)CC[C@@H](C)F)CC2)nc(C(C)C)[nH+]1 ZINC000367554619 525058153 /nfs/dbraw/zinc/05/81/53/525058153.db2.gz VUKNIEWCYWDQCR-CQSZACIVSA-N 2 2 322.472 3.557 20 0 DHADLP Cc1cc(N2CCC([N@H+](C)CC[C@@H](C)F)CC2)nc(C(C)C)[nH+]1 ZINC000367554619 525058165 /nfs/dbraw/zinc/05/81/65/525058165.db2.gz VUKNIEWCYWDQCR-CQSZACIVSA-N 2 2 322.472 3.557 20 0 DHADLP Cc1ccccc1C(C)(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000339495254 525073139 /nfs/dbraw/zinc/07/31/39/525073139.db2.gz VOPZKGYTNGJXIW-UHFFFAOYSA-N 2 2 303.475 3.538 20 0 DHADLP Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)nc(C2CC2)[nH+]1 ZINC000265302058 525282018 /nfs/dbraw/zinc/28/20/18/525282018.db2.gz DBVISGISVCXVKJ-UHFFFAOYSA-N 2 2 323.444 3.660 20 0 DHADLP CSCCCCC[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000364776317 525426234 /nfs/dbraw/zinc/42/62/34/525426234.db2.gz JTBVTASQIUANQR-UHFFFAOYSA-N 2 2 324.509 3.913 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1csc(Cl)c1 ZINC000364917808 525437663 /nfs/dbraw/zinc/43/76/63/525437663.db2.gz RESNKPKJRPMYCY-NSHDSACASA-N 2 2 318.833 3.833 20 0 DHADLP Cc1[nH]c2ccccc2c1C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000131217557 525441806 /nfs/dbraw/zinc/44/18/06/525441806.db2.gz JYLJUUAKZFCSLJ-UHFFFAOYSA-N 2 2 308.429 3.552 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c2ccsc2S1 ZINC000336826516 525447274 /nfs/dbraw/zinc/44/72/74/525447274.db2.gz QIRXYRXSTDVVFD-UQOMUDLDSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c2ccsc2S1 ZINC000336826516 525447278 /nfs/dbraw/zinc/44/72/78/525447278.db2.gz QIRXYRXSTDVVFD-UQOMUDLDSA-N 2 2 308.516 3.890 20 0 DHADLP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)on2)cc1 ZINC000266900055 525732461 /nfs/dbraw/zinc/73/24/61/525732461.db2.gz GHCCKACMZKNWHP-INIZCTEOSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)on2)cc1 ZINC000266900055 525732469 /nfs/dbraw/zinc/73/24/69/525732469.db2.gz GHCCKACMZKNWHP-INIZCTEOSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]C[C@@H](C)c1cccc(Cl)c1)C2 ZINC000364854505 525919949 /nfs/dbraw/zinc/91/99/49/525919949.db2.gz OAEPSJJTOIZXDU-MLGOLLRUSA-N 2 2 303.837 3.553 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H](c3cccnc3)C1)CCC2 ZINC000337341167 525938482 /nfs/dbraw/zinc/93/84/82/525938482.db2.gz QAJUWXRLRLWICW-NEWSRXKRSA-N 2 2 324.472 3.780 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367440087 526060051 /nfs/dbraw/zinc/06/00/51/526060051.db2.gz ZKZIYSUZSLTDMI-CYBMUJFWSA-N 2 2 301.459 3.792 20 0 DHADLP FC1(F)CCC(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000337321077 526275500 /nfs/dbraw/zinc/27/55/00/526275500.db2.gz ZEOSXTSZWSPXGF-UHFFFAOYSA-N 2 2 305.372 3.787 20 0 DHADLP Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000267024150 526366485 /nfs/dbraw/zinc/36/64/85/526366485.db2.gz CINIWDQLALDBTQ-GOSISDBHSA-N 2 2 322.387 3.744 20 0 DHADLP Fc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000267024150 526366487 /nfs/dbraw/zinc/36/64/87/526366487.db2.gz CINIWDQLALDBTQ-GOSISDBHSA-N 2 2 322.387 3.744 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCS2 ZINC000366429639 526373841 /nfs/dbraw/zinc/37/38/41/526373841.db2.gz GVHFKSZTPJLICS-VMBOVVBDSA-N 2 2 320.477 3.969 20 0 DHADLP c1c[nH]c([C@H]2CCC[N@H+]2CCC[NH+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000157594300 526409452 /nfs/dbraw/zinc/40/94/52/526409452.db2.gz VOBDHBDYXQOZBR-KDURUIRLSA-N 2 2 312.461 3.707 20 0 DHADLP c1c[nH]c([C@H]2CCC[N@@H+]2CCC[NH+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000157594300 526409456 /nfs/dbraw/zinc/40/94/56/526409456.db2.gz VOBDHBDYXQOZBR-KDURUIRLSA-N 2 2 312.461 3.707 20 0 DHADLP c1c[nH]c([C@H]2CCC[NH+]2CCC[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000157594300 526409462 /nfs/dbraw/zinc/40/94/62/526409462.db2.gz VOBDHBDYXQOZBR-KDURUIRLSA-N 2 2 312.461 3.707 20 0 DHADLP c1c[nH]c([C@H]2CCC[NH+]2CCC[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000157594300 526409467 /nfs/dbraw/zinc/40/94/67/526409467.db2.gz VOBDHBDYXQOZBR-KDURUIRLSA-N 2 2 312.461 3.707 20 0 DHADLP c1cn(CC[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)c[nH+]1 ZINC000129603601 526532971 /nfs/dbraw/zinc/53/29/71/526532971.db2.gz RGCDNLXISWDFPC-QGZVFWFLSA-N 2 2 311.429 3.699 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)c1 ZINC000337299750 526548807 /nfs/dbraw/zinc/54/88/07/526548807.db2.gz PGVBKQRLQPMNIF-KPFFTGBYSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)c1 ZINC000337299750 526548810 /nfs/dbraw/zinc/54/88/10/526548810.db2.gz PGVBKQRLQPMNIF-KPFFTGBYSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+]CC[NH+]3CCCCCC3)C2)c1 ZINC000337334592 526548915 /nfs/dbraw/zinc/54/89/15/526548915.db2.gz KSZXTDHUKSURFG-MJGOQNOKSA-N 2 2 301.478 3.573 20 0 DHADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC=CO3)CC2)cc1 ZINC000188577880 526944275 /nfs/dbraw/zinc/94/42/75/526944275.db2.gz VNIGLTWJEHVJHH-SFHVURJKSA-N 2 2 320.864 3.587 20 0 DHADLP O=C(C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)c1cccs1 ZINC000161908588 527119840 /nfs/dbraw/zinc/11/98/40/527119840.db2.gz WSTIGJBWDFDXRS-INIZCTEOSA-N 2 2 320.502 3.661 20 0 DHADLP O=C(C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1cccs1 ZINC000161908588 527119844 /nfs/dbraw/zinc/11/98/44/527119844.db2.gz WSTIGJBWDFDXRS-INIZCTEOSA-N 2 2 320.502 3.661 20 0 DHADLP [NH3+]CCCCCCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000238009250 527173961 /nfs/dbraw/zinc/17/39/61/527173961.db2.gz WWXKNYQBDXMXKZ-UHFFFAOYSA-N 2 2 313.401 3.722 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)cn1 ZINC000126439162 527374749 /nfs/dbraw/zinc/37/47/49/527374749.db2.gz ARWIKPWFAVLSPL-LJQANCHMSA-N 2 2 318.424 3.661 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3ccc(C)cc32)cn1 ZINC000126439403 527376330 /nfs/dbraw/zinc/37/63/30/527376330.db2.gz ARWIKPWFAVLSPL-IBGZPJMESA-N 2 2 318.424 3.661 20 0 DHADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156329171 527687176 /nfs/dbraw/zinc/68/71/76/527687176.db2.gz CLGJXJWKWNTJFR-HNNXBMFYSA-N 2 2 322.330 3.754 20 0 DHADLP FC(F)(F)c1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156329171 527687177 /nfs/dbraw/zinc/68/71/77/527687177.db2.gz CLGJXJWKWNTJFR-HNNXBMFYSA-N 2 2 322.330 3.754 20 0 DHADLP FC(F)(F)c1cscc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000356108976 527689943 /nfs/dbraw/zinc/68/99/43/527689943.db2.gz KENUCCJEEPBSEP-GFCCVEGCSA-N 2 2 318.408 3.685 20 0 DHADLP FC(F)(F)c1cscc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000356108976 527689945 /nfs/dbraw/zinc/68/99/45/527689945.db2.gz KENUCCJEEPBSEP-GFCCVEGCSA-N 2 2 318.408 3.685 20 0 DHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2nc3ccccc3s2)CC1 ZINC000299632202 535152653 /nfs/dbraw/zinc/15/26/53/535152653.db2.gz WOOQOEYZRLZBHV-UHFFFAOYSA-N 2 2 303.475 3.601 20 0 DHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2nc3ccccc3s2)CC1 ZINC000299632202 535152657 /nfs/dbraw/zinc/15/26/57/535152657.db2.gz WOOQOEYZRLZBHV-UHFFFAOYSA-N 2 2 303.475 3.601 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000040592916 536465344 /nfs/dbraw/zinc/46/53/44/536465344.db2.gz ZEPVGAFWWSAZKZ-VXGBXAGGSA-N 2 2 301.261 3.986 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000040592916 536465347 /nfs/dbraw/zinc/46/53/47/536465347.db2.gz ZEPVGAFWWSAZKZ-VXGBXAGGSA-N 2 2 301.261 3.986 20 0 DHADLP COc1ccc(C[C@H](C)C[NH2+]CCc2cc[nH+]cc2C)cc1F ZINC000273719913 536522074 /nfs/dbraw/zinc/52/20/74/536522074.db2.gz LPVZAGDPRSJGNC-AWEZNQCLSA-N 2 2 316.420 3.549 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)CC[NH+]1C ZINC000180437815 1013090259 /nfs/dbraw/zinc/09/02/59/1013090259.db2.gz UCTWOFIIRDMIPA-HOTGVXAUSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)CC[NH+]1C ZINC000180437815 1013090246 /nfs/dbraw/zinc/09/02/46/1013090246.db2.gz UCTWOFIIRDMIPA-HOTGVXAUSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)CC[N@@H+]1C ZINC000180437815 1013090220 /nfs/dbraw/zinc/09/02/20/1013090220.db2.gz UCTWOFIIRDMIPA-HOTGVXAUSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)CC[N@H+]1C ZINC000180437815 1013090235 /nfs/dbraw/zinc/09/02/35/1013090235.db2.gz UCTWOFIIRDMIPA-HOTGVXAUSA-N 2 2 314.429 3.986 20 0 DHADLP c1ccc([C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000294017800 1013120564 /nfs/dbraw/zinc/12/05/64/1013120564.db2.gz DQTFTXNYLJGQLU-FQEVSTJZSA-N 2 2 321.468 3.834 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000152613994 1033531278 /nfs/dbraw/zinc/53/12/78/1033531278.db2.gz FNFURSBYPKHDNU-STQMWFEESA-N 2 2 305.491 3.718 20 0 DHADLP Fc1cc(F)cc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC001209453039 1013296407 /nfs/dbraw/zinc/29/64/07/1013296407.db2.gz DLGZNFCXHRTHIZ-GOSISDBHSA-N 2 2 308.416 3.978 20 0 DHADLP Fc1cc(F)cc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC001209453039 1013296414 /nfs/dbraw/zinc/29/64/14/1013296414.db2.gz DLGZNFCXHRTHIZ-GOSISDBHSA-N 2 2 308.416 3.978 20 0 DHADLP CSc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000894582458 1013427505 /nfs/dbraw/zinc/42/75/05/1013427505.db2.gz TYOVBOYCLFQRTC-UHFFFAOYSA-N 2 2 318.442 3.748 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c2ccccc21 ZINC000340357483 1013516595 /nfs/dbraw/zinc/51/65/95/1013516595.db2.gz YCLWIXWDWBSGDB-KBPBESRZSA-N 2 2 309.388 3.841 20 0 DHADLP C[C@@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000237415195 1013516852 /nfs/dbraw/zinc/51/68/52/1013516852.db2.gz NGNORCWYMRBOTR-KRWDZBQOSA-N 2 2 305.425 3.825 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655721149 1013664879 /nfs/dbraw/zinc/66/48/79/1013664879.db2.gz LRUAYDATESWTAY-KSSFIOAISA-N 2 2 321.428 3.563 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655738677 1013676247 /nfs/dbraw/zinc/67/62/47/1013676247.db2.gz PCIIWNMZNPCGID-HOCLYGCPSA-N 2 2 322.880 3.634 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000317246145 1013759467 /nfs/dbraw/zinc/75/94/67/1013759467.db2.gz MXCBYKIZCLAUAI-XJKSGUPXSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000317246145 1013759473 /nfs/dbraw/zinc/75/94/73/1013759473.db2.gz MXCBYKIZCLAUAI-XJKSGUPXSA-N 2 2 302.393 3.658 20 0 DHADLP c1ccc(-c2cccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)c2)nc1 ZINC000655854960 1013785803 /nfs/dbraw/zinc/78/58/03/1013785803.db2.gz BLENRALPMLCBOB-SFTDATJTSA-N 2 2 321.468 3.855 20 0 DHADLP c1ccc(-c2cccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)c2)nc1 ZINC000655854960 1013785810 /nfs/dbraw/zinc/78/58/10/1013785810.db2.gz BLENRALPMLCBOB-SFTDATJTSA-N 2 2 321.468 3.855 20 0 DHADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000655858278 1013788132 /nfs/dbraw/zinc/78/81/32/1013788132.db2.gz XJSAGHWXPZIEPG-KPLAAQDZSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000655858278 1013788138 /nfs/dbraw/zinc/78/81/38/1013788138.db2.gz XJSAGHWXPZIEPG-KPLAAQDZSA-N 2 2 306.400 3.585 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc3cnccc3c2)c[nH+]1 ZINC000683766893 1013970918 /nfs/dbraw/zinc/97/09/18/1013970918.db2.gz UHCSOEFYZJBVSX-UHFFFAOYSA-N 2 2 314.392 3.710 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683940105 1014138448 /nfs/dbraw/zinc/13/84/48/1014138448.db2.gz DNDGSMMHOWPVBL-PMOUVXMZSA-N 2 2 324.921 3.967 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683940105 1014138450 /nfs/dbraw/zinc/13/84/50/1014138450.db2.gz DNDGSMMHOWPVBL-PMOUVXMZSA-N 2 2 324.921 3.967 20 0 DHADLP CCc1onc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001167424153 1014255646 /nfs/dbraw/zinc/25/56/46/1014255646.db2.gz CHIWBTFZMWTQFS-RDJZCZTQSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1onc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001167424153 1014255656 /nfs/dbraw/zinc/25/56/56/1014255656.db2.gz CHIWBTFZMWTQFS-RDJZCZTQSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1onc(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001167424153 1014255661 /nfs/dbraw/zinc/25/56/61/1014255661.db2.gz CHIWBTFZMWTQFS-RDJZCZTQSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1onc(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001167424153 1014255669 /nfs/dbraw/zinc/25/56/69/1014255669.db2.gz CHIWBTFZMWTQFS-RDJZCZTQSA-N 2 2 319.493 3.632 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261587446 1014314484 /nfs/dbraw/zinc/31/44/84/1014314484.db2.gz JKQMPFITILZOLX-CWRNSKLLSA-N 2 2 323.278 3.584 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261587446 1014314495 /nfs/dbraw/zinc/31/44/95/1014314495.db2.gz JKQMPFITILZOLX-CWRNSKLLSA-N 2 2 323.278 3.584 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262037119 1031089524 /nfs/dbraw/zinc/08/95/24/1031089524.db2.gz XWCJFMYTJSBAJD-KOLCDFICSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262037119 1031089542 /nfs/dbraw/zinc/08/95/42/1031089542.db2.gz XWCJFMYTJSBAJD-KOLCDFICSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000134166377 1014336035 /nfs/dbraw/zinc/33/60/35/1014336035.db2.gz YRSRROHKKWFIRP-ACJLOTCBSA-N 2 2 310.376 3.658 20 0 DHADLP CS[C@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895131196 1014505399 /nfs/dbraw/zinc/50/53/99/1014505399.db2.gz GTZWAODVWZZNBR-QAETUUGQSA-N 2 2 319.518 3.832 20 0 DHADLP CC(C)[C@@H](CSc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427845400 1014534503 /nfs/dbraw/zinc/53/45/03/1014534503.db2.gz PNLDBBNGDTUEOU-NVXWUHKLSA-N 2 2 315.486 3.604 20 0 DHADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427881324 1014542780 /nfs/dbraw/zinc/54/27/80/1014542780.db2.gz ICTKRSCWIHILRC-RYUDHWBXSA-N 2 2 324.255 3.726 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427871072 1014544621 /nfs/dbraw/zinc/54/46/21/1014544621.db2.gz HMLIOHFQJUDRTN-BXUZGUMPSA-N 2 2 309.335 3.568 20 0 DHADLP COc1ccc([C@@H]([NH2+]CC2([NH3+])CCCC2)c2ccccc2)cc1 ZINC000665248228 1014545052 /nfs/dbraw/zinc/54/50/52/1014545052.db2.gz SIHMSIBFARVLBL-IBGZPJMESA-N 2 2 310.441 3.646 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)sc1Cl ZINC000427868208 1014545337 /nfs/dbraw/zinc/54/53/37/1014545337.db2.gz QHATVXRJKSGLPV-IUCAKERBSA-N 2 2 316.257 3.917 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)ccc2c1 ZINC000427886254 1014547080 /nfs/dbraw/zinc/54/70/80/1014547080.db2.gz OPSQIUTXJQTTTK-KBXCAEBGSA-N 2 2 321.424 3.711 20 0 DHADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250410 1014560218 /nfs/dbraw/zinc/56/02/18/1014560218.db2.gz QADPPPKDRAVGHX-USXIJHARSA-N 2 2 300.471 3.853 20 0 DHADLP CC[NH+]1CCC([N@H+](C)C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000428215738 1014591065 /nfs/dbraw/zinc/59/10/65/1014591065.db2.gz CMTYKOJEVVWKEG-IBGZPJMESA-N 2 2 304.478 3.569 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000428215738 1014591072 /nfs/dbraw/zinc/59/10/72/1014591072.db2.gz CMTYKOJEVVWKEG-IBGZPJMESA-N 2 2 304.478 3.569 20 0 DHADLP COc1ccc([C@H]([NH2+]CC[C@@]2(C)CC2(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000665266994 1014604313 /nfs/dbraw/zinc/60/43/13/1014604313.db2.gz NQCHDPYGIJBDPI-IKGGRYGDSA-N 2 2 324.415 3.513 20 0 DHADLP CCc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000520892958 1014610735 /nfs/dbraw/zinc/61/07/35/1014610735.db2.gz LKRQVBZQEZHNGJ-UHFFFAOYSA-N 2 2 312.457 3.938 20 0 DHADLP CCc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000520892958 1014610741 /nfs/dbraw/zinc/61/07/41/1014610741.db2.gz LKRQVBZQEZHNGJ-UHFFFAOYSA-N 2 2 312.457 3.938 20 0 DHADLP c1ccc(C(C[N@@H+]2CC[NH+]3CCC2CC3)c2ccccc2)cc1 ZINC000581243641 1014644377 /nfs/dbraw/zinc/64/43/77/1014644377.db2.gz QIJLZUJAXBHQDF-UHFFFAOYSA-N 2 2 306.453 3.599 20 0 DHADLP c1ccc(C(C[N@H+]2CC[NH+]3CCC2CC3)c2ccccc2)cc1 ZINC000581243641 1014644384 /nfs/dbraw/zinc/64/43/84/1014644384.db2.gz QIJLZUJAXBHQDF-UHFFFAOYSA-N 2 2 306.453 3.599 20 0 DHADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(-c2ccccc2F)s1 ZINC000665277317 1014651616 /nfs/dbraw/zinc/65/16/16/1014651616.db2.gz ZBQATXDERWBGOG-ZVLZOBCMSA-N 2 2 316.445 3.957 20 0 DHADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000665282493 1014681174 /nfs/dbraw/zinc/68/11/74/1014681174.db2.gz ZENSFOCKAAUPAQ-YLJYHZDGSA-N 2 2 323.440 3.880 20 0 DHADLP Clc1ccc(CC[NH+]2CCC3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001226784827 1014819432 /nfs/dbraw/zinc/81/94/32/1014819432.db2.gz ONBVUDGLLKGPNI-UHFFFAOYSA-N 2 2 313.272 3.754 20 0 DHADLP Clc1csc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000093093572 1014824775 /nfs/dbraw/zinc/82/47/75/1014824775.db2.gz CQJHQMFZLSXOFA-UHFFFAOYSA-N 2 2 307.850 3.555 20 0 DHADLP Cc1cnccc1CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090193630 1015024829 /nfs/dbraw/zinc/02/48/29/1015024829.db2.gz HIFOONYZSZBOLI-HXUWFJFHSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cnccc1CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090193630 1015024841 /nfs/dbraw/zinc/02/48/41/1015024841.db2.gz HIFOONYZSZBOLI-HXUWFJFHSA-N 2 2 323.484 3.575 20 0 DHADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000895670974 1015254042 /nfs/dbraw/zinc/25/40/42/1015254042.db2.gz JWKFQTICRURCPQ-UHFFFAOYSA-N 2 2 314.473 3.536 20 0 DHADLP Clc1ccccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157475366 1015301690 /nfs/dbraw/zinc/30/16/90/1015301690.db2.gz XQBRYOGZDVPOEE-INIZCTEOSA-N 2 2 322.880 3.669 20 0 DHADLP Clc1ccccc1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157475366 1015301702 /nfs/dbraw/zinc/30/17/02/1015301702.db2.gz XQBRYOGZDVPOEE-INIZCTEOSA-N 2 2 322.880 3.669 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000895822630 1015317962 /nfs/dbraw/zinc/31/79/62/1015317962.db2.gz PDZJNTFJNLGMBG-UHFFFAOYSA-N 2 2 315.486 3.747 20 0 DHADLP Fc1ccc2c(cc[nH+]c2N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000581817245 1015341437 /nfs/dbraw/zinc/34/14/37/1015341437.db2.gz AOAMGVGMXHXSCT-UHFFFAOYSA-N 2 2 313.420 3.829 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000474488420 1015390107 /nfs/dbraw/zinc/39/01/07/1015390107.db2.gz MSRXOXWJJXRXAV-NUJGCVRESA-N 2 2 306.494 3.753 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H](C)O1 ZINC001168039551 1015496819 /nfs/dbraw/zinc/49/68/19/1015496819.db2.gz GLBCKCOFBCMNOO-KWXDATOUSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H](C)O1 ZINC001168039551 1015496827 /nfs/dbraw/zinc/49/68/27/1015496827.db2.gz GLBCKCOFBCMNOO-KWXDATOUSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H](Cc1ccsc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896195421 1015497188 /nfs/dbraw/zinc/49/71/88/1015497188.db2.gz JDKFKNKZBPOTSY-AWEZNQCLSA-N 2 2 301.459 3.651 20 0 DHADLP C[C@@H]1C[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC001168039552 1015497215 /nfs/dbraw/zinc/49/72/15/1015497215.db2.gz GLBCKCOFBCMNOO-TVFCKZIOSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC001168039552 1015497222 /nfs/dbraw/zinc/49/72/22/1015497222.db2.gz GLBCKCOFBCMNOO-TVFCKZIOSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccno1 ZINC001168041049 1015552538 /nfs/dbraw/zinc/55/25/38/1015552538.db2.gz QLPFXXBMBLIIFA-JYJNAYRXSA-N 2 2 313.445 3.767 20 0 DHADLP Fc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C(F)F ZINC000891726258 1015570011 /nfs/dbraw/zinc/57/00/11/1015570011.db2.gz YBQHIZPVNZVLHQ-GFCCVEGCSA-N 2 2 309.335 3.866 20 0 DHADLP Fc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C(F)F ZINC000891726258 1015570020 /nfs/dbraw/zinc/57/00/20/1015570020.db2.gz YBQHIZPVNZVLHQ-GFCCVEGCSA-N 2 2 309.335 3.866 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1csc(C(F)(F)F)c1 ZINC000926230593 1015618700 /nfs/dbraw/zinc/61/87/00/1015618700.db2.gz VZQJHUJAXDYUIB-MWLCHTKSSA-N 2 2 315.364 3.629 20 0 DHADLP COC1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361838668 1032121067 /nfs/dbraw/zinc/12/10/67/1032121067.db2.gz CXQAEDDTPBJTAU-UHFFFAOYSA-N 2 2 313.445 3.570 20 0 DHADLP COC1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361838668 1032121075 /nfs/dbraw/zinc/12/10/75/1032121075.db2.gz CXQAEDDTPBJTAU-UHFFFAOYSA-N 2 2 313.445 3.570 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000131187878 1015637694 /nfs/dbraw/zinc/63/76/94/1015637694.db2.gz CGNKHJWIWIDAKC-MRXNPFEDSA-N 2 2 301.478 3.919 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1F ZINC000150981680 1016002329 /nfs/dbraw/zinc/00/23/29/1016002329.db2.gz CPCQPXLMAPOVFT-GXTWGEPZSA-N 2 2 319.449 3.718 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](Cc1ccc(F)cc1)C(C)C)C2 ZINC000151001091 1016009592 /nfs/dbraw/zinc/00/95/92/1016009592.db2.gz IGSLLYVQYKUQNG-ROUUACIJSA-N 2 2 315.436 3.502 20 0 DHADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(Cl)ccc1OC ZINC000151116547 1016022075 /nfs/dbraw/zinc/02/20/75/1016022075.db2.gz JGFLNAQIFBWSPQ-OAHLLOKOSA-N 2 2 307.825 3.676 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1F ZINC000151302714 1016032683 /nfs/dbraw/zinc/03/26/83/1016032683.db2.gz LUTBJJJXJJPCSA-OAHLLOKOSA-N 2 2 309.388 3.921 20 0 DHADLP CCCC[C@@H](COC)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151698922 1016136347 /nfs/dbraw/zinc/13/63/47/1016136347.db2.gz GFIYNFDEGHKSKB-RDJZCZTQSA-N 2 2 301.434 3.728 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892144171 1016293913 /nfs/dbraw/zinc/29/39/13/1016293913.db2.gz LPTYXHIEZBSUMO-ZDUSSCGKSA-N 2 2 300.368 3.537 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892144171 1016293917 /nfs/dbraw/zinc/29/39/17/1016293917.db2.gz LPTYXHIEZBSUMO-ZDUSSCGKSA-N 2 2 300.368 3.537 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892144171 1016293922 /nfs/dbraw/zinc/29/39/22/1016293922.db2.gz LPTYXHIEZBSUMO-ZDUSSCGKSA-N 2 2 300.368 3.537 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892144171 1016293928 /nfs/dbraw/zinc/29/39/28/1016293928.db2.gz LPTYXHIEZBSUMO-ZDUSSCGKSA-N 2 2 300.368 3.537 20 0 DHADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152102491 1016343766 /nfs/dbraw/zinc/34/37/66/1016343766.db2.gz ZWQLSVUEGQYPEH-IERDGZPVSA-N 2 2 317.436 3.955 20 0 DHADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000342408403 1016355861 /nfs/dbraw/zinc/35/58/61/1016355861.db2.gz BYVCDJMUJHAHDM-PXAZEXFGSA-N 2 2 311.410 3.546 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043389702 1016405382 /nfs/dbraw/zinc/40/53/82/1016405382.db2.gz VQKZBUGXKMTAAN-HNNXBMFYSA-N 2 2 309.816 3.880 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000346669465 1016500005 /nfs/dbraw/zinc/50/00/05/1016500005.db2.gz GHSYZSZNAWYMHQ-LJQANCHMSA-N 2 2 315.436 3.693 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000346669465 1016500018 /nfs/dbraw/zinc/50/00/18/1016500018.db2.gz GHSYZSZNAWYMHQ-LJQANCHMSA-N 2 2 315.436 3.693 20 0 DHADLP CO[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(C)cc3)c2)[C@H](C[NH3+])C1 ZINC000346843996 1016601516 /nfs/dbraw/zinc/60/15/16/1016601516.db2.gz KMRPBQGPVFWEQM-LEWJYISDSA-N 2 2 324.468 3.600 20 0 DHADLP CO[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(C)cc3)c2)[C@H](C[NH3+])C1 ZINC000346843996 1016601548 /nfs/dbraw/zinc/60/15/48/1016601548.db2.gz KMRPBQGPVFWEQM-LEWJYISDSA-N 2 2 324.468 3.600 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3c3cccnc3)cc2)c[nH+]1 ZINC000347011643 1016687031 /nfs/dbraw/zinc/68/70/31/1016687031.db2.gz RPLXSRVBRWQSCO-IBGZPJMESA-N 2 2 304.397 3.604 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3c3cccnc3)cc2)c[nH+]1 ZINC000347011643 1016687037 /nfs/dbraw/zinc/68/70/37/1016687037.db2.gz RPLXSRVBRWQSCO-IBGZPJMESA-N 2 2 304.397 3.604 20 0 DHADLP COc1ccc([C@@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2C)cc1 ZINC000342574015 1016789871 /nfs/dbraw/zinc/78/98/71/1016789871.db2.gz HLCOZAGJJCBGET-IBGZPJMESA-N 2 2 313.445 3.817 20 0 DHADLP COc1ccc([C@@H]2CCCCC[N@H+]2CCn2cc[nH+]c2C)cc1 ZINC000342574015 1016789886 /nfs/dbraw/zinc/78/98/86/1016789886.db2.gz HLCOZAGJJCBGET-IBGZPJMESA-N 2 2 313.445 3.817 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339069618 1016790105 /nfs/dbraw/zinc/79/01/05/1016790105.db2.gz YHNDYKGCUINGMF-MISYRCLQSA-N 2 2 316.489 3.618 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000339069618 1016790124 /nfs/dbraw/zinc/79/01/24/1016790124.db2.gz YHNDYKGCUINGMF-MISYRCLQSA-N 2 2 316.489 3.618 20 0 DHADLP c1csc(-c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000657439763 1016809693 /nfs/dbraw/zinc/80/96/93/1016809693.db2.gz FWJKKHWHSONRMG-INIZCTEOSA-N 2 2 309.438 3.716 20 0 DHADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000475086539 1016944630 /nfs/dbraw/zinc/94/46/30/1016944630.db2.gz HJXDBKUKZKSNOT-FRRDWIJNSA-N 2 2 312.910 3.967 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(F)c(F)c(F)c1 ZINC000152773291 1017000900 /nfs/dbraw/zinc/00/09/00/1017000900.db2.gz WNMHXXSSPYPCMY-NSHDSACASA-N 2 2 323.362 3.530 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c(Cl)c1 ZINC000152786241 1017008081 /nfs/dbraw/zinc/00/80/81/1017008081.db2.gz OSWGOEGYVARAIN-GFCCVEGCSA-N 2 2 321.827 3.905 20 0 DHADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1F ZINC000152785503 1017009072 /nfs/dbraw/zinc/00/90/72/1017009072.db2.gz FYBZYDCUYMRFNS-KRWDZBQOSA-N 2 2 319.399 3.781 20 0 DHADLP Cc1cccc(C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)c1 ZINC000152823984 1017023663 /nfs/dbraw/zinc/02/36/63/1017023663.db2.gz RBEAZJOXTQHYQT-HXUWFJFHSA-N 2 2 323.484 3.681 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCC(C)CC2)CC1)c1nccn1C ZINC000362005437 1032189421 /nfs/dbraw/zinc/18/94/21/1032189421.db2.gz UEVCDXFPBVZGJQ-VMWRSERWSA-N 2 2 318.509 3.504 20 0 DHADLP C[NH2+]CC[C@H](C)[N@@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001246823711 1032206211 /nfs/dbraw/zinc/20/62/11/1032206211.db2.gz QKFQTKSPCYDEOC-RYUDHWBXSA-N 2 2 301.261 3.781 20 0 DHADLP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001246823711 1032206224 /nfs/dbraw/zinc/20/62/24/1032206224.db2.gz QKFQTKSPCYDEOC-RYUDHWBXSA-N 2 2 301.261 3.781 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000322732608 1032229463 /nfs/dbraw/zinc/22/94/63/1032229463.db2.gz VWNNROGUMXLWHQ-ZWKOTPCHSA-N 2 2 313.445 3.671 20 0 DHADLP C[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1cc(F)cc(F)c1 ZINC000294972564 1032231177 /nfs/dbraw/zinc/23/11/77/1032231177.db2.gz WXUVFSXSRUUEQN-CYBMUJFWSA-N 2 2 305.372 3.602 20 0 DHADLP COc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000057592998 1032303328 /nfs/dbraw/zinc/30/33/28/1032303328.db2.gz JWNCIBGBTKTPID-UHFFFAOYSA-N 2 2 307.397 3.513 20 0 DHADLP COc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000057592998 1032303337 /nfs/dbraw/zinc/30/33/37/1032303337.db2.gz JWNCIBGBTKTPID-UHFFFAOYSA-N 2 2 307.397 3.513 20 0 DHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172715305 1033350199 /nfs/dbraw/zinc/35/01/99/1033350199.db2.gz HFMTVMKVYUHTFJ-DLBZAZTESA-N 2 2 306.881 3.517 20 0 DHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172715305 1033350210 /nfs/dbraw/zinc/35/02/10/1033350210.db2.gz HFMTVMKVYUHTFJ-DLBZAZTESA-N 2 2 306.881 3.517 20 0 DHADLP C[C@]1(C[NH2+]C2CCSCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000121794432 1032478589 /nfs/dbraw/zinc/47/85/89/1032478589.db2.gz FIJPDMDZIVKJAQ-GOSISDBHSA-N 2 2 304.503 3.526 20 0 DHADLP C[C@]1(C[NH2+]C2CCSCC2)CCC[N@H+]1Cc1ccccc1 ZINC000121794432 1032478595 /nfs/dbraw/zinc/47/85/95/1032478595.db2.gz FIJPDMDZIVKJAQ-GOSISDBHSA-N 2 2 304.503 3.526 20 0 DHADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)Cc1ccsc1 ZINC000348189612 1032495286 /nfs/dbraw/zinc/49/52/86/1032495286.db2.gz XCTHHQGOWIJVOS-ZDUSSCGKSA-N 2 2 323.531 3.719 20 0 DHADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)Cc1ccsc1 ZINC000348189612 1032495290 /nfs/dbraw/zinc/49/52/90/1032495290.db2.gz XCTHHQGOWIJVOS-ZDUSSCGKSA-N 2 2 323.531 3.719 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563935 1032545207 /nfs/dbraw/zinc/54/52/07/1032545207.db2.gz ZCEQUOMYKKKCHF-SOLBZPMBSA-N 2 2 302.462 3.853 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563935 1032545216 /nfs/dbraw/zinc/54/52/16/1032545216.db2.gz ZCEQUOMYKKKCHF-SOLBZPMBSA-N 2 2 302.462 3.853 20 0 DHADLP CC(C)c1ncc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000093563669 1032545731 /nfs/dbraw/zinc/54/57/31/1032545731.db2.gz JSLPTAOWIIEKLY-OAHLLOKOSA-N 2 2 307.507 3.717 20 0 DHADLP CC(C)c1ncc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000093563669 1032545735 /nfs/dbraw/zinc/54/57/35/1032545735.db2.gz JSLPTAOWIIEKLY-OAHLLOKOSA-N 2 2 307.507 3.717 20 0 DHADLP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564127 1032546327 /nfs/dbraw/zinc/54/63/27/1032546327.db2.gz OLZCCSSEMJWUMA-MRXNPFEDSA-N 2 2 319.518 3.861 20 0 DHADLP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564127 1032546333 /nfs/dbraw/zinc/54/63/33/1032546333.db2.gz OLZCCSSEMJWUMA-MRXNPFEDSA-N 2 2 319.518 3.861 20 0 DHADLP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683915 1032550643 /nfs/dbraw/zinc/55/06/43/1032550643.db2.gz ALWFZYNWBFKJEH-INIZCTEOSA-N 2 2 321.534 3.649 20 0 DHADLP CC(C)Cc1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683915 1032550649 /nfs/dbraw/zinc/55/06/49/1032550649.db2.gz ALWFZYNWBFKJEH-INIZCTEOSA-N 2 2 321.534 3.649 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000684957453 1017100121 /nfs/dbraw/zinc/10/01/21/1017100121.db2.gz KJLJRTICMHISIX-BEFAXECRSA-N 2 2 318.424 3.996 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000035047357 1011980321 /nfs/dbraw/zinc/98/03/21/1011980321.db2.gz SPWRAIMRELVJOQ-HNNXBMFYSA-N 2 2 310.894 3.951 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1OC(F)(F)F ZINC000424370495 1012012003 /nfs/dbraw/zinc/01/20/03/1012012003.db2.gz DJRDVEOEMNCVKO-CYZMBNFOSA-N 2 2 302.340 3.506 20 0 DHADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1sccc1Br ZINC000514855216 1012468162 /nfs/dbraw/zinc/46/81/62/1012468162.db2.gz RSCVZFNXDFFYFK-JOYOIKCWSA-N 2 2 317.296 3.679 20 0 DHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Br ZINC000036945530 1012721449 /nfs/dbraw/zinc/72/14/49/1012721449.db2.gz PNVSCQBLUBOWSQ-RLAWYHOSSA-N 2 2 323.278 3.725 20 0 DHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Br ZINC000036945530 1012721472 /nfs/dbraw/zinc/72/14/72/1012721472.db2.gz PNVSCQBLUBOWSQ-RLAWYHOSSA-N 2 2 323.278 3.725 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000037249490 1012922956 /nfs/dbraw/zinc/92/29/56/1012922956.db2.gz LBDVKEYNCMYYPT-GFCCVEGCSA-N 2 2 306.479 3.686 20 0 DHADLP CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154669521 1012925552 /nfs/dbraw/zinc/92/55/52/1012925552.db2.gz OBHWBBPXYBGPFU-IRXDYDNUSA-N 2 2 315.461 3.568 20 0 DHADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000125079302 1032674997 /nfs/dbraw/zinc/67/49/97/1032674997.db2.gz OMCLRDUNTHZGJL-INIZCTEOSA-N 2 2 321.424 3.689 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CC1(C)C ZINC000475334871 1017150289 /nfs/dbraw/zinc/15/02/89/1017150289.db2.gz FHKKWVQMMFKARN-VYESFELBSA-N 2 2 318.427 3.816 20 0 DHADLP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000623849674 1017528452 /nfs/dbraw/zinc/52/84/52/1017528452.db2.gz LVIPCACIDZQTQB-CYBMUJFWSA-N 2 2 322.250 3.695 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1C(F)(F)F ZINC000623861078 1017537199 /nfs/dbraw/zinc/53/71/99/1017537199.db2.gz NXOFUCOBZBTQJM-WDEREUQCSA-N 2 2 315.314 3.780 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857900868 1032706954 /nfs/dbraw/zinc/70/69/54/1032706954.db2.gz FLLGQULSWCKEMS-UKRRQHHQSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857900868 1032706973 /nfs/dbraw/zinc/70/69/73/1032706973.db2.gz FLLGQULSWCKEMS-UKRRQHHQSA-N 2 2 307.869 3.576 20 0 DHADLP Cn1c[nH+]cc1-c1cccc(N2C(C)(C)CC([NH3+])CC2(C)C)c1 ZINC001167626277 1017730947 /nfs/dbraw/zinc/73/09/47/1017730947.db2.gz CPCPLHFDPSTREH-UHFFFAOYSA-N 2 2 312.461 3.572 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000182052730 1017854674 /nfs/dbraw/zinc/85/46/74/1017854674.db2.gz XMVBMTVYCHIGEO-SFHVURJKSA-N 2 2 319.452 3.900 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2csc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000628183710 1017912338 /nfs/dbraw/zinc/91/23/38/1017912338.db2.gz KXNGZMLYGBYRML-CMPLNLGQSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2csc(C(F)(F)F)c2)CC[N@H+]1C ZINC000628183710 1017912351 /nfs/dbraw/zinc/91/23/51/1017912351.db2.gz KXNGZMLYGBYRML-CMPLNLGQSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)CC[NH+]1C ZINC000628183710 1017912360 /nfs/dbraw/zinc/91/23/60/1017912360.db2.gz KXNGZMLYGBYRML-CMPLNLGQSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)CC[NH+]1C ZINC000628183710 1017912366 /nfs/dbraw/zinc/91/23/66/1017912366.db2.gz KXNGZMLYGBYRML-CMPLNLGQSA-N 2 2 306.397 3.681 20 0 DHADLP Fc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445811515 1017979385 /nfs/dbraw/zinc/97/93/85/1017979385.db2.gz SAGXTKMXBDVAPT-FZKQIMNGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(Cl)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445811515 1017979388 /nfs/dbraw/zinc/97/93/88/1017979388.db2.gz SAGXTKMXBDVAPT-FZKQIMNGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000445811515 1017979392 /nfs/dbraw/zinc/97/93/92/1017979392.db2.gz SAGXTKMXBDVAPT-FZKQIMNGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000445811515 1017979401 /nfs/dbraw/zinc/97/94/01/1017979401.db2.gz SAGXTKMXBDVAPT-FZKQIMNGSA-N 2 2 322.855 3.928 20 0 DHADLP c1cn(CCC[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000183166934 1017998786 /nfs/dbraw/zinc/99/87/86/1017998786.db2.gz GJJSOZWZPWSQCF-OAQYLSRUSA-N 2 2 317.436 3.921 20 0 DHADLP c1cn(CCC[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000183166934 1017998812 /nfs/dbraw/zinc/99/88/12/1017998812.db2.gz GJJSOZWZPWSQCF-OAQYLSRUSA-N 2 2 317.436 3.921 20 0 DHADLP Clc1ccccc1C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183166269 1018000434 /nfs/dbraw/zinc/00/04/34/1018000434.db2.gz IXIMQTIUJSOQJZ-MRXNPFEDSA-N 2 2 303.837 3.634 20 0 DHADLP Clc1ccccc1C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183166269 1018000447 /nfs/dbraw/zinc/00/04/47/1018000447.db2.gz IXIMQTIUJSOQJZ-MRXNPFEDSA-N 2 2 303.837 3.634 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)s1 ZINC000126300610 1032738048 /nfs/dbraw/zinc/73/80/48/1032738048.db2.gz FLICPXVMUGRLIR-ZDUSSCGKSA-N 2 2 312.442 3.796 20 0 DHADLP c1cn(-c2ccc(C[NH2+]Cc3coc4ccccc34)cc2)c[nH+]1 ZINC000114508916 1018065864 /nfs/dbraw/zinc/06/58/64/1018065864.db2.gz UPYRTQKRFAUTPZ-UHFFFAOYSA-N 2 2 303.365 3.908 20 0 DHADLP CCC[N@H+](Cc1csc(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000261619978 1018072798 /nfs/dbraw/zinc/07/27/98/1018072798.db2.gz GHKPRUJJHDBBDW-UHFFFAOYSA-N 2 2 315.486 3.774 20 0 DHADLP CCC[N@@H+](Cc1csc(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000261619978 1018072815 /nfs/dbraw/zinc/07/28/15/1018072815.db2.gz GHKPRUJJHDBBDW-UHFFFAOYSA-N 2 2 315.486 3.774 20 0 DHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1(C)CC1 ZINC000153979707 1018085863 /nfs/dbraw/zinc/08/58/63/1018085863.db2.gz OIEZMCQOVZKJDX-DLBZAZTESA-N 2 2 316.489 3.665 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)s1 ZINC000126300413 1032738843 /nfs/dbraw/zinc/73/88/43/1032738843.db2.gz FLICPXVMUGRLIR-CYBMUJFWSA-N 2 2 312.442 3.796 20 0 DHADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC001168530695 1018173948 /nfs/dbraw/zinc/17/39/48/1018173948.db2.gz PQDFTHOEXRFIFQ-FUHIMQAGSA-N 2 2 300.490 3.575 20 0 DHADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC001168530695 1018173952 /nfs/dbraw/zinc/17/39/52/1018173952.db2.gz PQDFTHOEXRFIFQ-FUHIMQAGSA-N 2 2 300.490 3.575 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCC(F)CC1 ZINC000657743404 1018206466 /nfs/dbraw/zinc/20/64/66/1018206466.db2.gz IEMKARWXBNXOCF-IYXRBSQSSA-N 2 2 307.438 3.940 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CC2CCC1CC2 ZINC000381581065 1018266200 /nfs/dbraw/zinc/26/62/00/1018266200.db2.gz BRILQABFSOHHMQ-RMFNQSEZSA-N 2 2 313.489 3.855 20 0 DHADLP Cc1ccc(F)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000343156965 1018291729 /nfs/dbraw/zinc/29/17/29/1018291729.db2.gz YSAJBECGWDRBTI-UHFFFAOYSA-N 2 2 309.388 3.669 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459764402 1018292397 /nfs/dbraw/zinc/29/23/97/1018292397.db2.gz ZMPYIWNHCJDEAY-IBGZPJMESA-N 2 2 309.457 3.970 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459764402 1018292407 /nfs/dbraw/zinc/29/24/07/1018292407.db2.gz ZMPYIWNHCJDEAY-IBGZPJMESA-N 2 2 309.457 3.970 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H](Cc1ccccc1)C1CCCCC1)CC2 ZINC000427849671 1018339314 /nfs/dbraw/zinc/33/93/14/1018339314.db2.gz FZCOKDLBDIMYOM-VQTJNVASSA-N 2 2 323.484 3.979 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000525708872 1018357944 /nfs/dbraw/zinc/35/79/44/1018357944.db2.gz NFMZEYVXJRMVBR-GDBMZVCRSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000525708872 1018357955 /nfs/dbraw/zinc/35/79/55/1018357955.db2.gz NFMZEYVXJRMVBR-GDBMZVCRSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000447316627 1018366616 /nfs/dbraw/zinc/36/66/16/1018366616.db2.gz ZLVMCRXWDITQBQ-MRXNPFEDSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000447316627 1018366624 /nfs/dbraw/zinc/36/66/24/1018366624.db2.gz ZLVMCRXWDITQBQ-MRXNPFEDSA-N 2 2 302.805 3.697 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000174307095 1018414808 /nfs/dbraw/zinc/41/48/08/1018414808.db2.gz NJJVALUFIOPHLB-GOSISDBHSA-N 2 2 310.441 3.546 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000174307095 1018414816 /nfs/dbraw/zinc/41/48/16/1018414816.db2.gz NJJVALUFIOPHLB-GOSISDBHSA-N 2 2 310.441 3.546 20 0 DHADLP C[C@@H](CSc1ccc(Cl)cc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001172874757 1033445948 /nfs/dbraw/zinc/44/59/48/1033445948.db2.gz DJLXDIHXXUXQQH-ZDUSSCGKSA-N 2 2 312.910 3.847 20 0 DHADLP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001172874757 1033445953 /nfs/dbraw/zinc/44/59/53/1033445953.db2.gz DJLXDIHXXUXQQH-ZDUSSCGKSA-N 2 2 312.910 3.847 20 0 DHADLP CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000300411973 1032764628 /nfs/dbraw/zinc/76/46/28/1032764628.db2.gz QUUXCUQRVJVOEG-FRFSOERESA-N 2 2 301.459 3.807 20 0 DHADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000536022649 1018454320 /nfs/dbraw/zinc/45/43/20/1018454320.db2.gz UEJRPMBICKHRPT-HNNXBMFYSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000536022649 1018454341 /nfs/dbraw/zinc/45/43/41/1018454341.db2.gz UEJRPMBICKHRPT-HNNXBMFYSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000447727844 1018461291 /nfs/dbraw/zinc/46/12/91/1018461291.db2.gz CHMXEXVGPKKRON-INIZCTEOSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000447727844 1018461298 /nfs/dbraw/zinc/46/12/98/1018461298.db2.gz CHMXEXVGPKKRON-INIZCTEOSA-N 2 2 302.805 3.697 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000447899097 1018500888 /nfs/dbraw/zinc/50/08/88/1018500888.db2.gz QJPOEFPPHGNJLH-IHRRRGAJSA-N 2 2 306.416 3.818 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000447899097 1018500894 /nfs/dbraw/zinc/50/08/94/1018500894.db2.gz QJPOEFPPHGNJLH-IHRRRGAJSA-N 2 2 306.416 3.818 20 0 DHADLP Fc1ccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1F ZINC000527286963 1018546529 /nfs/dbraw/zinc/54/65/29/1018546529.db2.gz VODZXWAABXULJS-UHFFFAOYSA-N 2 2 319.380 3.544 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000675917696 1018625692 /nfs/dbraw/zinc/62/56/92/1018625692.db2.gz BBAJENLAHWERTG-RDJZCZTQSA-N 2 2 309.413 3.956 20 0 DHADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1Br ZINC000151162336 1018702496 /nfs/dbraw/zinc/70/24/96/1018702496.db2.gz VJKVFCUNOAWGCP-HNNXBMFYSA-N 2 2 322.250 3.777 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccnc(Cl)c1 ZINC000765247597 1018728237 /nfs/dbraw/zinc/72/82/37/1018728237.db2.gz BAFFCOADEBANQQ-OCCSQVGLSA-N 2 2 306.841 3.697 20 0 DHADLP COCc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000765251990 1018729628 /nfs/dbraw/zinc/72/96/28/1018729628.db2.gz QWAXAJGBEFOOCY-UHFFFAOYSA-N 2 2 320.477 3.560 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccnc1Cl ZINC000765252106 1018731568 /nfs/dbraw/zinc/73/15/68/1018731568.db2.gz QNXIPRYWZOXGJG-TZMCWYRMSA-N 2 2 306.841 3.697 20 0 DHADLP Cc1c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000765257036 1018737445 /nfs/dbraw/zinc/73/74/45/1018737445.db2.gz GLIGGWCSMCMTTI-MRXNPFEDSA-N 2 2 323.444 3.508 20 0 DHADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000314658927 1018756818 /nfs/dbraw/zinc/75/68/18/1018756818.db2.gz FAYLJLPGLMTODK-ZBFHGGJFSA-N 2 2 312.379 3.669 20 0 DHADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000314658927 1018756830 /nfs/dbraw/zinc/75/68/30/1018756830.db2.gz FAYLJLPGLMTODK-ZBFHGGJFSA-N 2 2 312.379 3.669 20 0 DHADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccc(C)cc3)n2)CC[C@H]1[NH3+] ZINC000316840291 1018874302 /nfs/dbraw/zinc/87/43/02/1018874302.db2.gz MNPCSEURXUEDCL-WMLDXEAASA-N 2 2 315.486 3.678 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccc(C)cc3)n2)CC[C@H]1[NH3+] ZINC000316840291 1018874328 /nfs/dbraw/zinc/87/43/28/1018874328.db2.gz MNPCSEURXUEDCL-WMLDXEAASA-N 2 2 315.486 3.678 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2CCC=CCC2)CC1 ZINC000922966451 1018944389 /nfs/dbraw/zinc/94/43/89/1018944389.db2.gz UCIIFCNAXLVMGV-UHFFFAOYSA-N 2 2 304.400 3.739 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C(C)(C)C(F)F ZINC000657830532 1018971117 /nfs/dbraw/zinc/97/11/17/1018971117.db2.gz JYGXQAYYLVQBKC-CYBMUJFWSA-N 2 2 307.388 3.701 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1c(C)noc1C ZINC000584160186 1018995731 /nfs/dbraw/zinc/99/57/31/1018995731.db2.gz KXTBQKAUJKGLEA-SQNIBIBYSA-N 2 2 313.445 3.825 20 0 DHADLP COc1cccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1F ZINC000317456471 1019003953 /nfs/dbraw/zinc/00/39/53/1019003953.db2.gz WVFDZIXPFGOGNY-UHFFFAOYSA-N 2 2 308.441 3.579 20 0 DHADLP COc1cccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1F ZINC000317456471 1019003967 /nfs/dbraw/zinc/00/39/67/1019003967.db2.gz WVFDZIXPFGOGNY-UHFFFAOYSA-N 2 2 308.441 3.579 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC001172876579 1033448727 /nfs/dbraw/zinc/44/87/27/1033448727.db2.gz NHMDAPMORBAEEJ-CYBMUJFWSA-N 2 2 312.910 3.847 20 0 DHADLP FC(F)(F)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000278717291 1019082979 /nfs/dbraw/zinc/08/29/79/1019082979.db2.gz KLLBVWDVWKTLRQ-AWEZNQCLSA-N 2 2 309.335 3.647 20 0 DHADLP FC(F)(F)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000278717291 1019082987 /nfs/dbraw/zinc/08/29/87/1019082987.db2.gz KLLBVWDVWKTLRQ-AWEZNQCLSA-N 2 2 309.335 3.647 20 0 DHADLP CC(C)Oc1ccnc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171627383 1032811356 /nfs/dbraw/zinc/81/13/56/1032811356.db2.gz RSFXZCPEATXHCI-UHFFFAOYSA-N 2 2 319.493 3.610 20 0 DHADLP c1sc(-c2ccccc2)nc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998462 1032815294 /nfs/dbraw/zinc/81/52/94/1032815294.db2.gz VCZPAYNDFRGCLJ-OAHLLOKOSA-N 2 2 313.470 3.574 20 0 DHADLP c1ccc(C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000090053264 1019377841 /nfs/dbraw/zinc/37/78/41/1019377841.db2.gz QTCXNEYYGOOALX-FQEVSTJZSA-N 2 2 321.468 3.661 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccnc1 ZINC000091306991 1019456704 /nfs/dbraw/zinc/45/67/04/1019456704.db2.gz JKHQIJYVFQTZBF-IBGZPJMESA-N 2 2 306.413 3.754 20 0 DHADLP Cc1ccc(CC[C@H](C)N(c2cccc[nH+]2)C2CC[NH2+]CC2)cc1 ZINC001171681474 1032832056 /nfs/dbraw/zinc/83/20/56/1032832056.db2.gz JDSJOQGDGZTMFY-SFHVURJKSA-N 2 2 323.484 3.970 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312611167 1019463933 /nfs/dbraw/zinc/46/39/33/1019463933.db2.gz IGFUTTJRCJDCAW-SNVBAGLBSA-N 2 2 307.290 3.875 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312611167 1019463937 /nfs/dbraw/zinc/46/39/37/1019463937.db2.gz IGFUTTJRCJDCAW-SNVBAGLBSA-N 2 2 307.290 3.875 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc(C4CCC4)s3)C2)[nH]1 ZINC000092073718 1019503609 /nfs/dbraw/zinc/50/36/09/1019503609.db2.gz FDJYZRIDNTUIOK-CYBMUJFWSA-N 2 2 302.447 3.513 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc(C4CCC4)s3)C2)[nH]1 ZINC000092073718 1019503634 /nfs/dbraw/zinc/50/36/34/1019503634.db2.gz FDJYZRIDNTUIOK-CYBMUJFWSA-N 2 2 302.447 3.513 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470358 1019853932 /nfs/dbraw/zinc/85/39/32/1019853932.db2.gz HPOSNENCQVEFIY-GUYCJALGSA-N 2 2 317.864 3.660 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470358 1019853950 /nfs/dbraw/zinc/85/39/50/1019853950.db2.gz HPOSNENCQVEFIY-GUYCJALGSA-N 2 2 317.864 3.660 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470358 1019853969 /nfs/dbraw/zinc/85/39/69/1019853969.db2.gz HPOSNENCQVEFIY-GUYCJALGSA-N 2 2 317.864 3.660 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470358 1019853985 /nfs/dbraw/zinc/85/39/85/1019853985.db2.gz HPOSNENCQVEFIY-GUYCJALGSA-N 2 2 317.864 3.660 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cc2ccncc2s1 ZINC000657892585 1019873742 /nfs/dbraw/zinc/87/37/42/1019873742.db2.gz CSRNAGZQCCXKIO-JSGCOSHPSA-N 2 2 312.442 3.721 20 0 DHADLP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116385772 1019874731 /nfs/dbraw/zinc/87/47/31/1019874731.db2.gz UIPDIXBTYHKWBM-RXVVDRJESA-N 2 2 323.484 3.699 20 0 DHADLP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116385772 1019874741 /nfs/dbraw/zinc/87/47/41/1019874741.db2.gz UIPDIXBTYHKWBM-RXVVDRJESA-N 2 2 323.484 3.699 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000359601375 1020016902 /nfs/dbraw/zinc/01/69/02/1020016902.db2.gz UUYKBTPNSGCAGP-DOMZBBRYSA-N 2 2 310.894 3.951 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000359601375 1020016915 /nfs/dbraw/zinc/01/69/15/1020016915.db2.gz UUYKBTPNSGCAGP-DOMZBBRYSA-N 2 2 310.894 3.951 20 0 DHADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000922740135 1020242099 /nfs/dbraw/zinc/24/20/99/1020242099.db2.gz CONDNDGWFRAIMZ-AZUAARDMSA-N 2 2 323.484 3.841 20 0 DHADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1 ZINC000922740135 1020242104 /nfs/dbraw/zinc/24/21/04/1020242104.db2.gz CONDNDGWFRAIMZ-AZUAARDMSA-N 2 2 323.484 3.841 20 0 DHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCCCC2)CCOCC1 ZINC000922748180 1020246333 /nfs/dbraw/zinc/24/63/33/1020246333.db2.gz PNJSQXJNEKTMET-UHFFFAOYSA-N 2 2 316.489 3.590 20 0 DHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCCCC2)CCOCC1 ZINC000922748180 1020246343 /nfs/dbraw/zinc/24/63/43/1020246343.db2.gz PNJSQXJNEKTMET-UHFFFAOYSA-N 2 2 316.489 3.590 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCC(F)CC1 ZINC000658294033 1020286589 /nfs/dbraw/zinc/28/65/89/1020286589.db2.gz QTHBOOFIZNEOIH-FHERZECASA-N 2 2 305.441 3.557 20 0 DHADLP CC[N@H+](CCC[NH2+][C@H](C)c1c(C)noc1C)C1CCCCC1 ZINC000926653448 1020492740 /nfs/dbraw/zinc/49/27/40/1020492740.db2.gz ZLAMOJAYSJSNFM-CQSZACIVSA-N 2 2 307.482 3.987 20 0 DHADLP CC[N@@H+](CCC[NH2+][C@H](C)c1c(C)noc1C)C1CCCCC1 ZINC000926653448 1020492745 /nfs/dbraw/zinc/49/27/45/1020492745.db2.gz ZLAMOJAYSJSNFM-CQSZACIVSA-N 2 2 307.482 3.987 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(F)cn2)cc1 ZINC000348092399 1020502240 /nfs/dbraw/zinc/50/22/40/1020502240.db2.gz OYIVVSOEBJLYCX-ZDUSSCGKSA-N 2 2 310.376 3.566 20 0 DHADLP CC(C)[N@H+]([C@@H]1Cc2cccc(Cl)c2C1)C1CC[NH+](C)CC1 ZINC001168743634 1020517202 /nfs/dbraw/zinc/51/72/02/1020517202.db2.gz MHHOXDOAWIKICQ-MRXNPFEDSA-N 2 2 306.881 3.612 20 0 DHADLP CC(C)[N@@H+]([C@@H]1Cc2cccc(Cl)c2C1)C1CC[NH+](C)CC1 ZINC001168743634 1020517208 /nfs/dbraw/zinc/51/72/08/1020517208.db2.gz MHHOXDOAWIKICQ-MRXNPFEDSA-N 2 2 306.881 3.612 20 0 DHADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353623086 1020524887 /nfs/dbraw/zinc/52/48/87/1020524887.db2.gz NXBOWLMELWHULP-MFKMUULPSA-N 2 2 319.861 3.747 20 0 DHADLP c1cn(Cc2cccc(C[NH2+]C(C3CCC3)C3CCC3)c2)c[nH+]1 ZINC000338693772 1020533293 /nfs/dbraw/zinc/53/32/93/1020533293.db2.gz LKYBQHADAMPCMN-UHFFFAOYSA-N 2 2 309.457 3.990 20 0 DHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1ccccc1F ZINC001307585556 1020594723 /nfs/dbraw/zinc/59/47/23/1020594723.db2.gz JITPYGLINQJOMP-UHFFFAOYSA-N 2 2 314.448 3.868 20 0 DHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1ccccc1F ZINC001307585556 1020594728 /nfs/dbraw/zinc/59/47/28/1020594728.db2.gz JITPYGLINQJOMP-UHFFFAOYSA-N 2 2 314.448 3.868 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@@H]1[NH3+] ZINC000647497630 1020770846 /nfs/dbraw/zinc/77/08/46/1020770846.db2.gz OBZYOVZLENGARC-PBHICJAKSA-N 2 2 322.880 3.688 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@@H]1[NH3+] ZINC000647497630 1020770856 /nfs/dbraw/zinc/77/08/56/1020770856.db2.gz OBZYOVZLENGARC-PBHICJAKSA-N 2 2 322.880 3.688 20 0 DHADLP FC(F)(F)C1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000858532703 1032934901 /nfs/dbraw/zinc/93/49/01/1032934901.db2.gz NYSASAUKEJBZBS-PIMMBPRGSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)C1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000858532703 1032934910 /nfs/dbraw/zinc/93/49/10/1032934910.db2.gz NYSASAUKEJBZBS-PIMMBPRGSA-N 2 2 304.400 3.714 20 0 DHADLP Cc1oncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967113 1032937456 /nfs/dbraw/zinc/93/74/56/1032937456.db2.gz XHMZBQGRMZMJPV-SFHVURJKSA-N 2 2 313.445 3.516 20 0 DHADLP Cc1oncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967113 1032937467 /nfs/dbraw/zinc/93/74/67/1032937467.db2.gz XHMZBQGRMZMJPV-SFHVURJKSA-N 2 2 313.445 3.516 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000766248104 1020931484 /nfs/dbraw/zinc/93/14/84/1020931484.db2.gz OBNZKLJWGGONOO-CQSZACIVSA-N 2 2 301.821 3.618 20 0 DHADLP C[C@@H](c1ccccc1)[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000766248101 1020931692 /nfs/dbraw/zinc/93/16/92/1020931692.db2.gz OBNZKLJWGGONOO-AWEZNQCLSA-N 2 2 301.821 3.618 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1C ZINC000414167564 1020954747 /nfs/dbraw/zinc/95/47/47/1020954747.db2.gz PLVQOYQAISOCHI-LAUBAEHRSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1C ZINC000414167564 1020954754 /nfs/dbraw/zinc/95/47/54/1020954754.db2.gz PLVQOYQAISOCHI-LAUBAEHRSA-N 2 2 323.484 3.699 20 0 DHADLP CC(C)c1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000924575334 1020957157 /nfs/dbraw/zinc/95/71/57/1020957157.db2.gz LOMWABQOQFSTBS-OAQYLSRUSA-N 2 2 323.484 3.978 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)C[C@H]1C ZINC000740881597 1020959831 /nfs/dbraw/zinc/95/98/31/1020959831.db2.gz CBNCIMHXPBZOAB-DGCLKSJQSA-N 2 2 316.276 3.693 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)C[C@H]1C ZINC000740881597 1020959836 /nfs/dbraw/zinc/95/98/36/1020959836.db2.gz CBNCIMHXPBZOAB-DGCLKSJQSA-N 2 2 316.276 3.693 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)nc(Cl)c2)C[C@H]1C ZINC000740881597 1020959840 /nfs/dbraw/zinc/95/98/40/1020959840.db2.gz CBNCIMHXPBZOAB-DGCLKSJQSA-N 2 2 316.276 3.693 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)nc(Cl)c2)C[C@H]1C ZINC000740881597 1020959845 /nfs/dbraw/zinc/95/98/45/1020959845.db2.gz CBNCIMHXPBZOAB-DGCLKSJQSA-N 2 2 316.276 3.693 20 0 DHADLP Cc1ccc(C)c(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000613455310 1020968984 /nfs/dbraw/zinc/96/89/84/1020968984.db2.gz LALQOLIANUJKIN-UHFFFAOYSA-N 2 2 316.489 3.633 20 0 DHADLP CC(C)c1nc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cs1 ZINC000414189794 1020979781 /nfs/dbraw/zinc/97/97/81/1020979781.db2.gz RKDBVUAFQFGGSR-LBPRGKRZSA-N 2 2 300.431 3.765 20 0 DHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CCCO2 ZINC000766266793 1020992968 /nfs/dbraw/zinc/99/29/68/1020992968.db2.gz BQZHYBBXZODTKO-SJLPKXTDSA-N 2 2 302.462 3.591 20 0 DHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CCCO2 ZINC000766266793 1020992974 /nfs/dbraw/zinc/99/29/74/1020992974.db2.gz BQZHYBBXZODTKO-SJLPKXTDSA-N 2 2 302.462 3.591 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000134394991 1021148374 /nfs/dbraw/zinc/14/83/74/1021148374.db2.gz MKPLPVZNUXKSBA-MJGOQNOKSA-N 2 2 309.457 3.533 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000134394991 1021148378 /nfs/dbraw/zinc/14/83/78/1021148378.db2.gz MKPLPVZNUXKSBA-MJGOQNOKSA-N 2 2 309.457 3.533 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccno1 ZINC001171975996 1032960141 /nfs/dbraw/zinc/96/01/41/1032960141.db2.gz HIFYLOPSWOEKTL-WBVHZDCISA-N 2 2 313.445 3.768 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccno1 ZINC001171975996 1032960148 /nfs/dbraw/zinc/96/01/48/1032960148.db2.gz HIFYLOPSWOEKTL-WBVHZDCISA-N 2 2 313.445 3.768 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000090076973 1021207336 /nfs/dbraw/zinc/20/73/36/1021207336.db2.gz FXGQTKLIPZAWNQ-AEFFLSMTSA-N 2 2 303.494 3.708 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000090076973 1021207345 /nfs/dbraw/zinc/20/73/45/1021207345.db2.gz FXGQTKLIPZAWNQ-AEFFLSMTSA-N 2 2 303.494 3.708 20 0 DHADLP C[C@@H]1C[N@H+](CCSc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000251587665 1021239228 /nfs/dbraw/zinc/23/92/28/1021239228.db2.gz CQGWRBWMQYPVIN-ZWNOBZJWSA-N 2 2 319.301 3.755 20 0 DHADLP C[C@@H]1C[N@@H+](CCSc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000251587665 1021239237 /nfs/dbraw/zinc/23/92/37/1021239237.db2.gz CQGWRBWMQYPVIN-ZWNOBZJWSA-N 2 2 319.301 3.755 20 0 DHADLP C[N@H+](Cc1ccccn1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171978582 1032968591 /nfs/dbraw/zinc/96/85/91/1032968591.db2.gz ZVYNXYGMEKQRNH-HXUWFJFHSA-N 2 2 323.484 3.957 20 0 DHADLP C[N@@H+](Cc1ccccn1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171978582 1032968598 /nfs/dbraw/zinc/96/85/98/1032968598.db2.gz ZVYNXYGMEKQRNH-HXUWFJFHSA-N 2 2 323.484 3.957 20 0 DHADLP C[NH+](Cc1ccccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978582 1032968602 /nfs/dbraw/zinc/96/86/02/1032968602.db2.gz ZVYNXYGMEKQRNH-HXUWFJFHSA-N 2 2 323.484 3.957 20 0 DHADLP C[NH+](Cc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978582 1032968636 /nfs/dbraw/zinc/96/86/36/1032968636.db2.gz ZVYNXYGMEKQRNH-HXUWFJFHSA-N 2 2 323.484 3.957 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cnccn1 ZINC001171982674 1032967294 /nfs/dbraw/zinc/96/72/94/1032967294.db2.gz JNSHYIZRRRMUQE-SJLPKXTDSA-N 2 2 324.472 3.570 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cnccn1 ZINC001171982674 1032967299 /nfs/dbraw/zinc/96/72/99/1032967299.db2.gz JNSHYIZRRRMUQE-SJLPKXTDSA-N 2 2 324.472 3.570 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000537991448 1032964525 /nfs/dbraw/zinc/96/45/25/1032964525.db2.gz RDOKCMHIABTLAV-ABAIWWIYSA-N 2 2 313.272 3.608 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000537991448 1032964545 /nfs/dbraw/zinc/96/45/45/1032964545.db2.gz RDOKCMHIABTLAV-ABAIWWIYSA-N 2 2 313.272 3.608 20 0 DHADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccccc2n1C ZINC000091341545 1021277926 /nfs/dbraw/zinc/27/79/26/1021277926.db2.gz MHNGQNIPDJXULH-PBHICJAKSA-N 2 2 316.493 3.590 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000449349778 1021295617 /nfs/dbraw/zinc/29/56/17/1021295617.db2.gz HSYOFFIWJIWQDO-XJKSGUPXSA-N 2 2 301.821 3.804 20 0 DHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cnc2ccsc2c1 ZINC000068691846 1021364320 /nfs/dbraw/zinc/36/43/20/1021364320.db2.gz OAYJMDSBVHBONG-ZDUSSCGKSA-N 2 2 300.431 3.624 20 0 DHADLP FC(F)C1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090794 1032984418 /nfs/dbraw/zinc/98/44/18/1032984418.db2.gz XDOLEXAUMZZVKC-BCDXTJNWSA-N 2 2 320.427 3.769 20 0 DHADLP FC(F)C1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172090794 1032984430 /nfs/dbraw/zinc/98/44/30/1032984430.db2.gz XDOLEXAUMZZVKC-BCDXTJNWSA-N 2 2 320.427 3.769 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)CCCO2 ZINC000850439556 1021535649 /nfs/dbraw/zinc/53/56/49/1021535649.db2.gz LXFCUSLNXILDDE-OAHLLOKOSA-N 2 2 311.429 3.559 20 0 DHADLP CN(c1ccc([NH2+][C@@H]2CCCC23CC3)cc1)C1CC[NH+](C)CC1 ZINC000850451384 1021544221 /nfs/dbraw/zinc/54/42/21/1021544221.db2.gz ZMZMEDCKGZCRFE-LJQANCHMSA-N 2 2 313.489 3.962 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163762108 1021555427 /nfs/dbraw/zinc/55/54/27/1021555427.db2.gz LKSWPWKXYKQCJE-GFCCVEGCSA-N 2 2 304.331 3.548 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000163762108 1021555432 /nfs/dbraw/zinc/55/54/32/1021555432.db2.gz LKSWPWKXYKQCJE-GFCCVEGCSA-N 2 2 304.331 3.548 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc2c(c1)CCO2 ZINC000850494596 1021564597 /nfs/dbraw/zinc/56/45/97/1021564597.db2.gz QVDFQCYISSLUHH-DLBZAZTESA-N 2 2 302.462 3.535 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc2c(c1)CCO2 ZINC000850494596 1021564610 /nfs/dbraw/zinc/56/46/10/1021564610.db2.gz QVDFQCYISSLUHH-DLBZAZTESA-N 2 2 302.462 3.535 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)c1nc2c(s1)CCCC2)C[NH+]1CCCCC1 ZINC000093399624 1021580252 /nfs/dbraw/zinc/58/02/52/1021580252.db2.gz HJPSXQSJZYALBM-GJZGRUSLSA-N 2 2 321.534 3.795 20 0 DHADLP F[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068033 1032992295 /nfs/dbraw/zinc/99/22/95/1032992295.db2.gz GQLXUCPQTBQNFA-YRXWBPOGSA-N 2 2 302.437 3.616 20 0 DHADLP F[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068033 1032992310 /nfs/dbraw/zinc/99/23/10/1032992310.db2.gz GQLXUCPQTBQNFA-YRXWBPOGSA-N 2 2 302.437 3.616 20 0 DHADLP F[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068033 1032992326 /nfs/dbraw/zinc/99/23/26/1032992326.db2.gz GQLXUCPQTBQNFA-YRXWBPOGSA-N 2 2 302.437 3.616 20 0 DHADLP F[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068033 1032992335 /nfs/dbraw/zinc/99/23/35/1032992335.db2.gz GQLXUCPQTBQNFA-YRXWBPOGSA-N 2 2 302.437 3.616 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093770447 1021678091 /nfs/dbraw/zinc/67/80/91/1021678091.db2.gz UGAHCXDUKWNEGC-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093770447 1021678096 /nfs/dbraw/zinc/67/80/96/1021678096.db2.gz UGAHCXDUKWNEGC-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093770447 1021678102 /nfs/dbraw/zinc/67/81/02/1021678102.db2.gz UGAHCXDUKWNEGC-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093770447 1021678105 /nfs/dbraw/zinc/67/81/05/1021678105.db2.gz UGAHCXDUKWNEGC-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP ClC1(Cl)C[C@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783031119 1021734553 /nfs/dbraw/zinc/73/45/53/1021734553.db2.gz OQUHPIDBOWYZDV-AWEZNQCLSA-N 2 2 316.276 3.569 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)C2 ZINC001172106019 1033002788 /nfs/dbraw/zinc/00/27/88/1033002788.db2.gz MJMQUBMNNZYQAA-RCLSDMTESA-N 2 2 321.468 3.776 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)C2 ZINC001172106019 1033002806 /nfs/dbraw/zinc/00/28/06/1033002806.db2.gz MJMQUBMNNZYQAA-RCLSDMTESA-N 2 2 321.468 3.776 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1 ZINC000556871100 1021915397 /nfs/dbraw/zinc/91/53/97/1021915397.db2.gz JJUYBEQVKWYBTL-GJZGRUSLSA-N 2 2 312.461 3.550 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)[C@H](C)C1 ZINC000746469464 1022120261 /nfs/dbraw/zinc/12/02/61/1022120261.db2.gz CGJGPSGUSMUFFN-YPMHNXCESA-N 2 2 316.276 3.551 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)[C@H](C)C1 ZINC000746469464 1022120267 /nfs/dbraw/zinc/12/02/67/1022120267.db2.gz CGJGPSGUSMUFFN-YPMHNXCESA-N 2 2 316.276 3.551 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)nc(Cl)c2)[C@H](C)C1 ZINC000746469464 1022120276 /nfs/dbraw/zinc/12/02/76/1022120276.db2.gz CGJGPSGUSMUFFN-YPMHNXCESA-N 2 2 316.276 3.551 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)nc(Cl)c2)[C@H](C)C1 ZINC000746469464 1022120284 /nfs/dbraw/zinc/12/02/84/1022120284.db2.gz CGJGPSGUSMUFFN-YPMHNXCESA-N 2 2 316.276 3.551 20 0 DHADLP CC[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000397910177 1022206942 /nfs/dbraw/zinc/20/69/42/1022206942.db2.gz HOGYSVQNPPDMLH-AQNXPRMDSA-N 2 2 316.489 3.588 20 0 DHADLP CC[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000397910177 1022206956 /nfs/dbraw/zinc/20/69/56/1022206956.db2.gz HOGYSVQNPPDMLH-AQNXPRMDSA-N 2 2 316.489 3.588 20 0 DHADLP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000153590233 1022225774 /nfs/dbraw/zinc/22/57/74/1022225774.db2.gz SLWULEAXDLWHRR-SJLPKXTDSA-N 2 2 304.478 3.684 20 0 DHADLP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000153590233 1022225780 /nfs/dbraw/zinc/22/57/80/1022225780.db2.gz SLWULEAXDLWHRR-SJLPKXTDSA-N 2 2 304.478 3.684 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)oc1C ZINC000337503246 1033038296 /nfs/dbraw/zinc/03/82/96/1033038296.db2.gz CSTJUPLTJZYANB-OAHLLOKOSA-N 2 2 309.413 3.992 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001169083366 1022252862 /nfs/dbraw/zinc/25/28/62/1022252862.db2.gz DJXQLJSBIXBCJN-AQNXPRMDSA-N 2 2 300.490 3.670 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001169083366 1022252872 /nfs/dbraw/zinc/25/28/72/1022252872.db2.gz DJXQLJSBIXBCJN-AQNXPRMDSA-N 2 2 300.490 3.670 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001169083366 1022252875 /nfs/dbraw/zinc/25/28/75/1022252875.db2.gz DJXQLJSBIXBCJN-AQNXPRMDSA-N 2 2 300.490 3.670 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001169083366 1022252883 /nfs/dbraw/zinc/25/28/83/1022252883.db2.gz DJXQLJSBIXBCJN-AQNXPRMDSA-N 2 2 300.490 3.670 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000354393148 1022266923 /nfs/dbraw/zinc/26/69/23/1022266923.db2.gz DAGIPUQCUIWUHI-AWEZNQCLSA-N 2 2 310.526 3.536 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccc(F)cc1F)C2 ZINC001169155309 1022285119 /nfs/dbraw/zinc/28/51/19/1022285119.db2.gz MRRIZPPBPQJLFW-BORJPKMPSA-N 2 2 306.400 3.727 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1ccc(F)cc1F)C2 ZINC001169155309 1022285126 /nfs/dbraw/zinc/28/51/26/1022285126.db2.gz MRRIZPPBPQJLFW-BORJPKMPSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1ccc(F)cc1F)C2 ZINC001169155309 1022285132 /nfs/dbraw/zinc/28/51/32/1022285132.db2.gz MRRIZPPBPQJLFW-BORJPKMPSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1ccc(F)cc1F)C2 ZINC001169155309 1022285141 /nfs/dbraw/zinc/28/51/41/1022285141.db2.gz MRRIZPPBPQJLFW-BORJPKMPSA-N 2 2 306.400 3.727 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cccc(OC)c2)CC1 ZINC001169233368 1022316329 /nfs/dbraw/zinc/31/63/29/1022316329.db2.gz OHCLSGAXAROQSV-OAQYLSRUSA-N 2 2 324.468 3.859 20 0 DHADLP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000363847872 1022335223 /nfs/dbraw/zinc/33/52/23/1022335223.db2.gz ALXDXGINTJUFKK-GHTZIAJQSA-N 2 2 323.484 3.862 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC000268695308 1022372641 /nfs/dbraw/zinc/37/26/41/1022372641.db2.gz BEMIEVVCZODJMT-ZIFCJYIRSA-N 2 2 309.457 3.785 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC000268695308 1022372662 /nfs/dbraw/zinc/37/26/62/1022372662.db2.gz BEMIEVVCZODJMT-ZIFCJYIRSA-N 2 2 309.457 3.785 20 0 DHADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000155727869 1022417281 /nfs/dbraw/zinc/41/72/81/1022417281.db2.gz GJXRSOHZUUJOSU-KRWDZBQOSA-N 2 2 305.853 3.784 20 0 DHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[NH+]1CCCC1 ZINC000671098025 1022422570 /nfs/dbraw/zinc/42/25/70/1022422570.db2.gz HUVCPYWFDJHCIK-MRXNPFEDSA-N 2 2 313.489 3.910 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccco1 ZINC000178369172 1022445152 /nfs/dbraw/zinc/44/51/52/1022445152.db2.gz PRWAEJRGEYOOSI-HNNXBMFYSA-N 2 2 313.445 3.665 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccco1 ZINC000178369181 1022445826 /nfs/dbraw/zinc/44/58/26/1022445826.db2.gz PRWAEJRGEYOOSI-OAHLLOKOSA-N 2 2 313.445 3.665 20 0 DHADLP C[C@@H]([NH2+]CCCc1nccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271490915 1022474016 /nfs/dbraw/zinc/47/40/16/1022474016.db2.gz LSAISFMGJZQONN-CQSZACIVSA-N 2 2 312.442 3.612 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000179636385 1022500655 /nfs/dbraw/zinc/50/06/55/1022500655.db2.gz VBKUHNXAKHUYBC-ZDUSSCGKSA-N 2 2 318.408 3.682 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000179636385 1022500663 /nfs/dbraw/zinc/50/06/63/1022500663.db2.gz VBKUHNXAKHUYBC-ZDUSSCGKSA-N 2 2 318.408 3.682 20 0 DHADLP CC[NH+](CC)c1ccc(C)c(-n2cc(CC[NH3+])c3ncccc32)c1 ZINC001169709656 1022512546 /nfs/dbraw/zinc/51/25/46/1022512546.db2.gz QNCSWFIRVAYKDH-UHFFFAOYSA-N 2 2 322.456 3.681 20 0 DHADLP CO[C@@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)C1CCCCC1 ZINC000660148278 1022577841 /nfs/dbraw/zinc/57/78/41/1022577841.db2.gz OBUUEUNXNWAVIK-SFHVURJKSA-N 2 2 317.477 3.553 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000158583024 1022645328 /nfs/dbraw/zinc/64/53/28/1022645328.db2.gz CZSMDMKQYFICMM-HOCLYGCPSA-N 2 2 312.379 3.622 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000158583024 1022645333 /nfs/dbraw/zinc/64/53/33/1022645333.db2.gz CZSMDMKQYFICMM-HOCLYGCPSA-N 2 2 312.379 3.622 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000158583024 1022645340 /nfs/dbraw/zinc/64/53/40/1022645340.db2.gz CZSMDMKQYFICMM-HOCLYGCPSA-N 2 2 312.379 3.622 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000158583024 1022645348 /nfs/dbraw/zinc/64/53/48/1022645348.db2.gz CZSMDMKQYFICMM-HOCLYGCPSA-N 2 2 312.379 3.622 20 0 DHADLP FC(F)(F)c1ccc(C2([NH2+]CCn3cc[nH+]c3)CCC2)cc1 ZINC000621352036 1022709772 /nfs/dbraw/zinc/70/97/72/1022709772.db2.gz KQCRYMHIKPTCPW-UHFFFAOYSA-N 2 2 309.335 3.571 20 0 DHADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c(C)[nH+]1 ZINC000930868464 1022768412 /nfs/dbraw/zinc/76/84/12/1022768412.db2.gz VOKMYDOXWZVPMG-FHWLQOOXSA-N 2 2 311.429 3.521 20 0 DHADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c(C)[nH+]1 ZINC000930868464 1022768432 /nfs/dbraw/zinc/76/84/32/1022768432.db2.gz VOKMYDOXWZVPMG-FHWLQOOXSA-N 2 2 311.429 3.521 20 0 DHADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)CCCO2 ZINC000768097678 1022882826 /nfs/dbraw/zinc/88/28/26/1022882826.db2.gz OSRPEXJWDIURDS-SFHVURJKSA-N 2 2 313.445 3.729 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(SC(F)F)cc1)Cn1cc[nH+]c1 ZINC000180920938 1022884061 /nfs/dbraw/zinc/88/40/61/1022884061.db2.gz HYHNOPKXNCXBIW-LBPRGKRZSA-N 2 2 311.401 3.624 20 0 DHADLP CC(C)CC[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538586829 1033103553 /nfs/dbraw/zinc/10/35/53/1033103553.db2.gz GIOBDNFAMIYASS-MRXNPFEDSA-N 2 2 318.509 3.849 20 0 DHADLP Cc1ccc(SCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000109794654 1023246344 /nfs/dbraw/zinc/24/63/44/1023246344.db2.gz IHVZYFAJNZLAIE-UHFFFAOYSA-N 2 2 315.486 3.929 20 0 DHADLP c1ccc2c(c1)cncc2C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000770374385 1023300623 /nfs/dbraw/zinc/30/06/23/1023300623.db2.gz NCJBDGSIBREDAZ-LAUBAEHRSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(c1)cncc2C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000770374385 1023300626 /nfs/dbraw/zinc/30/06/26/1023300626.db2.gz NCJBDGSIBREDAZ-LAUBAEHRSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(c1)cncc2C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000770374385 1023300632 /nfs/dbraw/zinc/30/06/32/1023300632.db2.gz NCJBDGSIBREDAZ-LAUBAEHRSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(c1)cncc2C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000770374385 1023300640 /nfs/dbraw/zinc/30/06/40/1023300640.db2.gz NCJBDGSIBREDAZ-LAUBAEHRSA-N 2 2 321.468 3.684 20 0 DHADLP c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)co1 ZINC000770353433 1023304617 /nfs/dbraw/zinc/30/46/17/1023304617.db2.gz SHQPNQGFNORSLR-WOJBJXKFSA-N 2 2 310.441 3.766 20 0 DHADLP c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)co1 ZINC000770353433 1023304625 /nfs/dbraw/zinc/30/46/25/1023304625.db2.gz SHQPNQGFNORSLR-WOJBJXKFSA-N 2 2 310.441 3.766 20 0 DHADLP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)co1 ZINC000770353433 1023304630 /nfs/dbraw/zinc/30/46/30/1023304630.db2.gz SHQPNQGFNORSLR-WOJBJXKFSA-N 2 2 310.441 3.766 20 0 DHADLP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)co1 ZINC000770353433 1023304636 /nfs/dbraw/zinc/30/46/36/1023304636.db2.gz SHQPNQGFNORSLR-WOJBJXKFSA-N 2 2 310.441 3.766 20 0 DHADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1C(F)(F)F)C2 ZINC000660653966 1023365914 /nfs/dbraw/zinc/36/59/14/1023365914.db2.gz WPIJYNWYSIQERU-INIZCTEOSA-N 2 2 312.379 3.623 20 0 DHADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1C(F)(F)F)C2 ZINC000660653966 1023365923 /nfs/dbraw/zinc/36/59/23/1023365923.db2.gz WPIJYNWYSIQERU-INIZCTEOSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000660653966 1023365930 /nfs/dbraw/zinc/36/59/30/1023365930.db2.gz WPIJYNWYSIQERU-INIZCTEOSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000660653966 1023365936 /nfs/dbraw/zinc/36/59/36/1023365936.db2.gz WPIJYNWYSIQERU-INIZCTEOSA-N 2 2 312.379 3.623 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(-c2ccccc2)cn1 ZINC000651749912 1023514667 /nfs/dbraw/zinc/51/46/67/1023514667.db2.gz NNVFPFDTFLLQAL-QGZVFWFLSA-N 2 2 309.457 3.885 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C[C@H]1C ZINC001172371581 1033150990 /nfs/dbraw/zinc/15/09/90/1033150990.db2.gz VDVQQBXTGYTVGL-GPMSIDNRSA-N 2 2 316.489 3.771 20 0 DHADLP CC(C)CSCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787281359 1023779676 /nfs/dbraw/zinc/77/96/76/1023779676.db2.gz BNDYZWZDWCPAPK-HNNXBMFYSA-N 2 2 303.475 3.912 20 0 DHADLP CC(C)CCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001170079428 1023830662 /nfs/dbraw/zinc/83/06/62/1023830662.db2.gz DFLGAVOMVOSNGT-FHWLQOOXSA-N 2 2 315.505 3.660 20 0 DHADLP CCOC1CC([NH2+][C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC000709630654 1023836421 /nfs/dbraw/zinc/83/64/21/1023836421.db2.gz LHAYXFNTHXCVRI-XEVCZEQESA-N 2 2 316.489 3.588 20 0 DHADLP CCOC1CC([NH2+][C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000709630654 1023836430 /nfs/dbraw/zinc/83/64/30/1023836430.db2.gz LHAYXFNTHXCVRI-XEVCZEQESA-N 2 2 316.489 3.588 20 0 DHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCCCCCC3)C2)cc1 ZINC000788009642 1023836810 /nfs/dbraw/zinc/83/68/10/1023836810.db2.gz PBKXPHFPEGSSOZ-FQEVSTJZSA-N 2 2 316.489 3.544 20 0 DHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCCCCCC3)C2)cc1 ZINC000788009642 1023836812 /nfs/dbraw/zinc/83/68/12/1023836812.db2.gz PBKXPHFPEGSSOZ-FQEVSTJZSA-N 2 2 316.489 3.544 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788585773 1023910075 /nfs/dbraw/zinc/91/00/75/1023910075.db2.gz WZTNYIUCDAPRBA-ZOBORPQBSA-N 2 2 312.910 3.967 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788585773 1023910079 /nfs/dbraw/zinc/91/00/79/1023910079.db2.gz WZTNYIUCDAPRBA-ZOBORPQBSA-N 2 2 312.910 3.967 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccco3)s2)[C@H](C)C1 ZINC000194411858 1024000799 /nfs/dbraw/zinc/00/07/99/1024000799.db2.gz LEADFTUQNFNREU-UKRRQHHQSA-N 2 2 319.474 3.565 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccco3)s2)[C@H](C)C1 ZINC000194411858 1024000812 /nfs/dbraw/zinc/00/08/12/1024000812.db2.gz LEADFTUQNFNREU-UKRRQHHQSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)[C@H](C)C1 ZINC000194411858 1024000827 /nfs/dbraw/zinc/00/08/27/1024000827.db2.gz LEADFTUQNFNREU-UKRRQHHQSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)[C@H](C)C1 ZINC000194411858 1024000843 /nfs/dbraw/zinc/00/08/43/1024000843.db2.gz LEADFTUQNFNREU-UKRRQHHQSA-N 2 2 319.474 3.565 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000268838147 1024175050 /nfs/dbraw/zinc/17/50/50/1024175050.db2.gz YVSAYAXTNNBWQQ-JQWIXIFHSA-N 2 2 309.866 3.522 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)CC[N@H+]1C ZINC000268838147 1024175055 /nfs/dbraw/zinc/17/50/55/1024175055.db2.gz YVSAYAXTNNBWQQ-JQWIXIFHSA-N 2 2 309.866 3.522 20 0 DHADLP C[C@@H](C[NH2+]Cc1cc2nc(Cl)ccc2s1)Cn1cc[nH+]c1 ZINC000876984678 1033198020 /nfs/dbraw/zinc/19/80/20/1033198020.db2.gz LBVRCNXHPWNIEG-NSHDSACASA-N 2 2 320.849 3.572 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(CC3CC3)CC2)CC1 ZINC000883248854 1024319338 /nfs/dbraw/zinc/31/93/38/1024319338.db2.gz IOJVHRWTIVGGQB-UHFFFAOYSA-N 2 2 304.400 3.573 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H](C2CC2)C2CCC2)[nH+]1 ZINC000453087693 1024323541 /nfs/dbraw/zinc/32/35/41/1024323541.db2.gz PYHNANOAVMSTES-HXUWFJFHSA-N 2 2 309.457 3.642 20 0 DHADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000269900380 1024327571 /nfs/dbraw/zinc/32/75/71/1024327571.db2.gz YVYHEOTZDJTSCC-QGZVFWFLSA-N 2 2 306.400 3.559 20 0 DHADLP Cc1cc(NC2CC[NH+](CCC(F)(F)F)CC2)c[nH+]c1C ZINC000883342687 1024391604 /nfs/dbraw/zinc/39/16/04/1024391604.db2.gz IFEXRHMEUPNRLO-UHFFFAOYSA-N 2 2 301.356 3.527 20 0 DHADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453277751 1024437068 /nfs/dbraw/zinc/43/70/68/1024437068.db2.gz BQDQUKRUMLJZGE-SOAMZJECSA-N 2 2 315.505 3.708 20 0 DHADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453277751 1024437073 /nfs/dbraw/zinc/43/70/73/1024437073.db2.gz BQDQUKRUMLJZGE-SOAMZJECSA-N 2 2 315.505 3.708 20 0 DHADLP CC(C)COCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001172456758 1033211110 /nfs/dbraw/zinc/21/11/10/1033211110.db2.gz IHVWILFRZIYWNR-ICSRJNTNSA-N 2 2 318.505 3.864 20 0 DHADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453277754 1024437328 /nfs/dbraw/zinc/43/73/28/1024437328.db2.gz BQDQUKRUMLJZGE-XFKSJGNHSA-N 2 2 315.505 3.708 20 0 DHADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453277754 1024437330 /nfs/dbraw/zinc/43/73/30/1024437330.db2.gz BQDQUKRUMLJZGE-XFKSJGNHSA-N 2 2 315.505 3.708 20 0 DHADLP Cc1cccnc1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000453304390 1024452693 /nfs/dbraw/zinc/45/26/93/1024452693.db2.gz GBFYYJBGTCBIDZ-RXVVDRJESA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cccnc1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000453304390 1024452699 /nfs/dbraw/zinc/45/26/99/1024452699.db2.gz GBFYYJBGTCBIDZ-RXVVDRJESA-N 2 2 323.484 3.575 20 0 DHADLP CC(C)COC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101545198 1024513504 /nfs/dbraw/zinc/51/35/04/1024513504.db2.gz HUZYFZFXMYYQOO-UHFFFAOYSA-N 2 2 313.445 3.509 20 0 DHADLP CC(C)C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccs1 ZINC000925792314 1024556547 /nfs/dbraw/zinc/55/65/47/1024556547.db2.gz ATKSXYPDEFPGER-JKSUJKDBSA-N 2 2 322.518 3.584 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000315806936 1024563611 /nfs/dbraw/zinc/56/36/11/1024563611.db2.gz QPJXHBOYUDNZGD-OAHLLOKOSA-N 2 2 319.836 3.698 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000315806936 1024563616 /nfs/dbraw/zinc/56/36/16/1024563616.db2.gz QPJXHBOYUDNZGD-OAHLLOKOSA-N 2 2 319.836 3.698 20 0 DHADLP CCC[N@H+](CCc1cccs1)Cc1ncc(C[NH+](C)C)s1 ZINC000348253754 1024594824 /nfs/dbraw/zinc/59/48/24/1024594824.db2.gz LSUAWOBBDJOBAY-UHFFFAOYSA-N 2 2 323.531 3.721 20 0 DHADLP CCC[N@@H+](CCc1cccs1)Cc1ncc(C[NH+](C)C)s1 ZINC000348253754 1024594837 /nfs/dbraw/zinc/59/48/37/1024594837.db2.gz LSUAWOBBDJOBAY-UHFFFAOYSA-N 2 2 323.531 3.721 20 0 DHADLP C[C@@H]([NH2+]C1CC(C(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348679519 1024604800 /nfs/dbraw/zinc/60/48/00/1024604800.db2.gz INYBVFSBDIXEIJ-LMWSTFAQSA-N 2 2 309.335 3.864 20 0 DHADLP CC[C@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC001170181613 1024683597 /nfs/dbraw/zinc/68/35/97/1024683597.db2.gz JSYYNJRCZPQJFF-IVAOSVALSA-N 2 2 324.468 3.975 20 0 DHADLP CC[C@@H]1C[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001170207497 1024691216 /nfs/dbraw/zinc/69/12/16/1024691216.db2.gz LUILLYZELLRVIJ-WOJBJXKFSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1C[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001170207497 1024691220 /nfs/dbraw/zinc/69/12/20/1024691220.db2.gz LUILLYZELLRVIJ-WOJBJXKFSA-N 2 2 316.489 3.540 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(Cl)oc2ccccc21 ZINC000349387408 1024712144 /nfs/dbraw/zinc/71/21/44/1024712144.db2.gz VMAMILOSVAJZLB-UHFFFAOYSA-N 2 2 303.793 3.805 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(Cl)oc2ccccc21 ZINC000349387408 1024712152 /nfs/dbraw/zinc/71/21/52/1024712152.db2.gz VMAMILOSVAJZLB-UHFFFAOYSA-N 2 2 303.793 3.805 20 0 DHADLP Fc1ccccc1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349383893 1024712410 /nfs/dbraw/zinc/71/24/10/1024712410.db2.gz MUUJDOHTDKIDPU-UHFFFAOYSA-N 2 2 315.436 3.757 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(Cl)c1Cl ZINC000349404600 1024717322 /nfs/dbraw/zinc/71/73/22/1024717322.db2.gz FNHYQXIPRRSHPM-UHFFFAOYSA-N 2 2 304.246 3.774 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(Cl)c1Cl ZINC000349404600 1024717331 /nfs/dbraw/zinc/71/73/31/1024717331.db2.gz FNHYQXIPRRSHPM-UHFFFAOYSA-N 2 2 304.246 3.774 20 0 DHADLP CC[C@@H]1C[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCO1 ZINC000349422293 1024719497 /nfs/dbraw/zinc/71/94/97/1024719497.db2.gz USWBYMIMNMJKIN-RTBURBONSA-N 2 2 319.493 3.581 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001170286982 1024735546 /nfs/dbraw/zinc/73/55/46/1024735546.db2.gz GXDGXZSUGAZZQW-AWEZNQCLSA-N 2 2 306.881 3.830 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001170286982 1024735549 /nfs/dbraw/zinc/73/55/49/1024735549.db2.gz GXDGXZSUGAZZQW-AWEZNQCLSA-N 2 2 306.881 3.830 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001170286983 1024736989 /nfs/dbraw/zinc/73/69/89/1024736989.db2.gz GXDGXZSUGAZZQW-CQSZACIVSA-N 2 2 306.881 3.830 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001170286983 1024736998 /nfs/dbraw/zinc/73/69/98/1024736998.db2.gz GXDGXZSUGAZZQW-CQSZACIVSA-N 2 2 306.881 3.830 20 0 DHADLP Fc1cc(F)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1Cl ZINC001168359884 1033239155 /nfs/dbraw/zinc/23/91/55/1033239155.db2.gz GLBUUNNVRUBCGL-UHFFFAOYSA-N 2 2 314.807 3.582 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+]CC(C)(C)C)CCOCC1)c1ccccc1 ZINC000152383394 1024826481 /nfs/dbraw/zinc/82/64/81/1024826481.db2.gz UUBWBZDAJOGGJU-MRXNPFEDSA-N 2 2 304.478 3.522 20 0 DHADLP CCc1cccc(F)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000792921692 1024841425 /nfs/dbraw/zinc/84/14/25/1024841425.db2.gz JHGLZUDERRKDAG-UHFFFAOYSA-N 2 2 324.403 3.567 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001168187138 1025018427 /nfs/dbraw/zinc/01/84/27/1025018427.db2.gz FPCPFZITWJWSNL-UKRRQHHQSA-N 2 2 303.837 3.807 20 0 DHADLP COc1ccc(Cl)cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000096982400 1025028638 /nfs/dbraw/zinc/02/86/38/1025028638.db2.gz UPWZGDXLFNEWJA-INIZCTEOSA-N 2 2 310.869 3.655 20 0 DHADLP COc1ccc(Cl)cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000096982400 1025028694 /nfs/dbraw/zinc/02/86/94/1025028694.db2.gz UPWZGDXLFNEWJA-INIZCTEOSA-N 2 2 310.869 3.655 20 0 DHADLP COc1ccc(Cl)cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000096982400 1025028746 /nfs/dbraw/zinc/02/87/46/1025028746.db2.gz UPWZGDXLFNEWJA-INIZCTEOSA-N 2 2 310.869 3.655 20 0 DHADLP COc1ccc(Cl)cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000096982400 1025028830 /nfs/dbraw/zinc/02/88/30/1025028830.db2.gz UPWZGDXLFNEWJA-INIZCTEOSA-N 2 2 310.869 3.655 20 0 DHADLP C[N@H+](CCC[NH2+]Cc1ccccc1Cl)Cc1ccccc1 ZINC000021802622 1025100396 /nfs/dbraw/zinc/10/03/96/1025100396.db2.gz OJINFVSWVIOJIE-UHFFFAOYSA-N 2 2 302.849 3.952 20 0 DHADLP C[N@@H+](CCC[NH2+]Cc1ccccc1Cl)Cc1ccccc1 ZINC000021802622 1025100441 /nfs/dbraw/zinc/10/04/41/1025100441.db2.gz OJINFVSWVIOJIE-UHFFFAOYSA-N 2 2 302.849 3.952 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172566821 1033261260 /nfs/dbraw/zinc/26/12/60/1033261260.db2.gz ZOCKOPFXYQQKPD-GFCCVEGCSA-N 2 2 318.839 3.871 20 0 DHADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000436439142 1025139279 /nfs/dbraw/zinc/13/92/79/1025139279.db2.gz LRPQKVIPOFMOQA-WBVHZDCISA-N 2 2 316.836 3.604 20 0 DHADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000436439142 1025139286 /nfs/dbraw/zinc/13/92/86/1025139286.db2.gz LRPQKVIPOFMOQA-WBVHZDCISA-N 2 2 316.836 3.604 20 0 DHADLP CC1(C)CCc2ccccc2[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353625964 1025162078 /nfs/dbraw/zinc/16/20/78/1025162078.db2.gz SJOTWCRWGIUQSV-HNAYVOBHSA-N 2 2 309.457 3.960 20 0 DHADLP C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000112600185 1025249838 /nfs/dbraw/zinc/24/98/38/1025249838.db2.gz JOQJTRODGPCEQN-HNNXBMFYSA-N 2 2 307.397 3.771 20 0 DHADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000112600185 1025249852 /nfs/dbraw/zinc/24/98/52/1025249852.db2.gz JOQJTRODGPCEQN-HNNXBMFYSA-N 2 2 307.397 3.771 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C2 ZINC000112539977 1025249882 /nfs/dbraw/zinc/24/98/82/1025249882.db2.gz JYRQZMRBAUKXID-AAEUAGOBSA-N 2 2 307.800 3.650 20 0 DHADLP Cc1ccc2nc(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)ccc2c1 ZINC001137218644 1025336944 /nfs/dbraw/zinc/33/69/44/1025336944.db2.gz GWECUIUARQGZJZ-UHFFFAOYSA-N 2 2 311.473 3.848 20 0 DHADLP Cc1ccc2nc(C[N@H+](C(C)C)C3CC[NH+](C)CC3)ccc2c1 ZINC001137218644 1025336962 /nfs/dbraw/zinc/33/69/62/1025336962.db2.gz GWECUIUARQGZJZ-UHFFFAOYSA-N 2 2 311.473 3.848 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(Cl)ccc2cccnc21 ZINC000124367076 1025424699 /nfs/dbraw/zinc/42/46/99/1025424699.db2.gz BQPPZXHYQAILIS-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(Cl)ccc2cccnc21 ZINC000124367076 1025424710 /nfs/dbraw/zinc/42/47/10/1025424710.db2.gz BQPPZXHYQAILIS-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC[NH+](C)CC1)CCCO2 ZINC000126480680 1025512259 /nfs/dbraw/zinc/51/22/59/1025512259.db2.gz FXHNHTLSUGIGJQ-MRXNPFEDSA-N 2 2 308.853 3.546 20 0 DHADLP COc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001143533237 1025546165 /nfs/dbraw/zinc/54/61/65/1025546165.db2.gz UHBPRQPSYAHPND-QGZVFWFLSA-N 2 2 320.452 3.675 20 0 DHADLP COc1c(F)cccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001143533237 1025546179 /nfs/dbraw/zinc/54/61/79/1025546179.db2.gz UHBPRQPSYAHPND-QGZVFWFLSA-N 2 2 320.452 3.675 20 0 DHADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](c1ccccc1)c1ccccn1 ZINC000128387573 1025579079 /nfs/dbraw/zinc/57/90/79/1025579079.db2.gz CIXIHNKBPYVBLC-QUCCMNQESA-N 2 2 309.457 3.587 20 0 DHADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](c1ccccc1)c1ccccn1 ZINC000128387573 1025579088 /nfs/dbraw/zinc/57/90/88/1025579088.db2.gz CIXIHNKBPYVBLC-QUCCMNQESA-N 2 2 309.457 3.587 20 0 DHADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](c1ccccc1)c1ccccn1 ZINC000128387573 1025579097 /nfs/dbraw/zinc/57/90/97/1025579097.db2.gz CIXIHNKBPYVBLC-QUCCMNQESA-N 2 2 309.457 3.587 20 0 DHADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](c1ccccc1)c1ccccn1 ZINC000128387573 1025579107 /nfs/dbraw/zinc/57/91/07/1025579107.db2.gz CIXIHNKBPYVBLC-QUCCMNQESA-N 2 2 309.457 3.587 20 0 DHADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000886651631 1025763716 /nfs/dbraw/zinc/76/37/16/1025763716.db2.gz MGJFDHKPYDRMEW-GUDVDZBRSA-N 2 2 313.445 3.562 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)[nH+]c1C ZINC000886662777 1025768941 /nfs/dbraw/zinc/76/89/41/1025768941.db2.gz LWTDELQSSWCTFS-UHFFFAOYSA-N 2 2 305.372 3.684 20 0 DHADLP Clc1ccc2c(n1)CC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000806137946 1025780943 /nfs/dbraw/zinc/78/09/43/1025780943.db2.gz UXEYWOKJLIYSEW-AWEZNQCLSA-N 2 2 316.836 3.599 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]CC2(C)CCCCCC2)CC1 ZINC000355675719 1025810011 /nfs/dbraw/zinc/81/00/11/1025810011.db2.gz ARUDZSHRMIKMLY-UHFFFAOYSA-N 2 2 310.526 3.826 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000355701332 1025817533 /nfs/dbraw/zinc/81/75/33/1025817533.db2.gz INECIVSWMASSPA-KSSFIOAISA-N 2 2 307.397 3.879 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC000886717928 1025826771 /nfs/dbraw/zinc/82/67/71/1025826771.db2.gz MADPJQPCOLLCCH-UHFFFAOYSA-N 2 2 315.505 3.964 20 0 DHADLP [NH3+]C1CC[NH+](Cc2cc(Br)c3ccccc3c2)CC1 ZINC000886827204 1025948477 /nfs/dbraw/zinc/94/84/77/1025948477.db2.gz GVNWKXXNXITDMI-UHFFFAOYSA-N 2 2 319.246 3.525 20 0 DHADLP CSc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000356128674 1025958913 /nfs/dbraw/zinc/95/89/13/1025958913.db2.gz AENXUXBOPHUTOK-CQSZACIVSA-N 2 2 310.532 3.920 20 0 DHADLP CSc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000356128674 1025958926 /nfs/dbraw/zinc/95/89/26/1025958926.db2.gz AENXUXBOPHUTOK-CQSZACIVSA-N 2 2 310.532 3.920 20 0 DHADLP CCC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCC1 ZINC000513334729 1026481358 /nfs/dbraw/zinc/48/13/58/1026481358.db2.gz JKORJPSUAXLUDV-UHFFFAOYSA-N 2 2 306.416 3.963 20 0 DHADLP Cc1nc([C@@H](C)[N@H+](C)CCC[NH3+])oc1-c1ccc(Cl)cc1 ZINC000647847431 1026524843 /nfs/dbraw/zinc/52/48/43/1026524843.db2.gz QAHJAJOBRVEGKZ-GFCCVEGCSA-N 2 2 307.825 3.645 20 0 DHADLP Cc1nc([C@@H](C)[N@@H+](C)CCC[NH3+])oc1-c1ccc(Cl)cc1 ZINC000647847431 1026524852 /nfs/dbraw/zinc/52/48/52/1026524852.db2.gz QAHJAJOBRVEGKZ-GFCCVEGCSA-N 2 2 307.825 3.645 20 0 DHADLP CC[NH+]1CCN(c2ccc([NH2+]C[C@@H]3CC=CCC3)c(C)c2)CC1 ZINC000513563739 1026540950 /nfs/dbraw/zinc/54/09/50/1026540950.db2.gz VOCHZNAYYBRRMD-GOSISDBHSA-N 2 2 313.489 3.905 20 0 DHADLP CC(C)C[C@H](C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000809624560 1026575768 /nfs/dbraw/zinc/57/57/68/1026575768.db2.gz OARBLRDEXWFKQU-KRWDZBQOSA-N 2 2 317.521 3.993 20 0 DHADLP CCC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(C)ccn1 ZINC000631624613 1026736975 /nfs/dbraw/zinc/73/69/75/1026736975.db2.gz QAJDHJIQLNCOCB-DAWZGUTISA-N 2 2 301.478 3.838 20 0 DHADLP [NH3+]CCC[N@@H+](Cc1ncc(Cl)cc1Cl)CC1CCCC1 ZINC000420322314 1026802583 /nfs/dbraw/zinc/80/25/83/1026802583.db2.gz WPGAUQQQEZHWJX-UHFFFAOYSA-N 2 2 316.276 3.729 20 0 DHADLP [NH3+]CCC[N@H+](Cc1ncc(Cl)cc1Cl)CC1CCCC1 ZINC000420322314 1026802594 /nfs/dbraw/zinc/80/25/94/1026802594.db2.gz WPGAUQQQEZHWJX-UHFFFAOYSA-N 2 2 316.276 3.729 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)C)c(F)c1 ZINC000421828917 1027061231 /nfs/dbraw/zinc/06/12/31/1027061231.db2.gz FZPLVUUDJVJKIN-SUNYJGFJSA-N 2 2 308.441 3.604 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)C)c(F)c1 ZINC000421828917 1027061236 /nfs/dbraw/zinc/06/12/36/1027061236.db2.gz FZPLVUUDJVJKIN-SUNYJGFJSA-N 2 2 308.441 3.604 20 0 DHADLP COc1ccc2c(NCc3ccn4cc[nH+]c4c3)cc[nH+]c2c1 ZINC000811816484 1027101213 /nfs/dbraw/zinc/10/12/13/1027101213.db2.gz AOFNAUMLFVGCKC-UHFFFAOYSA-N 2 2 304.353 3.503 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC000362294011 1027131625 /nfs/dbraw/zinc/13/16/25/1027131625.db2.gz QKLKQSAHTGCNEJ-SJLPKXTDSA-N 2 2 315.848 3.901 20 0 DHADLP C[C@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000561951359 1027143045 /nfs/dbraw/zinc/14/30/45/1027143045.db2.gz PFYNWDJKZHUCLN-UONOGXRCSA-N 2 2 314.395 3.740 20 0 DHADLP C[C@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000561951359 1027143051 /nfs/dbraw/zinc/14/30/51/1027143051.db2.gz PFYNWDJKZHUCLN-UONOGXRCSA-N 2 2 314.395 3.740 20 0 DHADLP COC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(Cl)c1 ZINC000572768404 1027230360 /nfs/dbraw/zinc/23/03/60/1027230360.db2.gz JDHSEBZIOYYSLL-GOSISDBHSA-N 2 2 324.896 3.739 20 0 DHADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)c3ccc(F)nc3)CC2)[nH+]c1C ZINC000931748694 1027244364 /nfs/dbraw/zinc/24/43/64/1027244364.db2.gz MYFAILLJLWSTDY-ZDUSSCGKSA-N 2 2 302.397 3.501 20 0 DHADLP Cc1[nH]c(C2CC[NH+]([C@H](C)c3ccc(F)nc3)CC2)[nH+]c1C ZINC000931748688 1027245203 /nfs/dbraw/zinc/24/52/03/1027245203.db2.gz MYFAILLJLWSTDY-CYBMUJFWSA-N 2 2 302.397 3.501 20 0 DHADLP c1ccc(Oc2ccccc2C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422625076 1027292008 /nfs/dbraw/zinc/29/20/08/1027292008.db2.gz APKVNHBZYPZDEF-UHFFFAOYSA-N 2 2 308.425 3.807 20 0 DHADLP CC(C)Sc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422717041 1027301618 /nfs/dbraw/zinc/30/16/18/1027301618.db2.gz OBQUIHZMAFTEHD-HLLBOEOZSA-N 2 2 322.518 3.605 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC2CC2)c2ccccc21 ZINC000422755839 1027315447 /nfs/dbraw/zinc/31/54/47/1027315447.db2.gz BRLOXOQTEBJYMJ-RTBURBONSA-N 2 2 308.425 3.710 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)on1 ZINC000422780883 1027317713 /nfs/dbraw/zinc/31/77/13/1027317713.db2.gz HTSUHVZQJCNPOP-GVDBMIGSSA-N 2 2 305.466 3.589 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)cc2)cs1 ZINC000422808013 1027329951 /nfs/dbraw/zinc/32/99/51/1027329951.db2.gz PRINSDFRSUNLIG-AHIWAGSCSA-N 2 2 315.486 3.910 20 0 DHADLP CSc1ccc(F)cc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422814150 1027330511 /nfs/dbraw/zinc/33/05/11/1027330511.db2.gz ZTXWXOIMCJSODH-CVEARBPZSA-N 2 2 302.418 3.782 20 0 DHADLP Fc1cccc([C@H]([NH2+]C2CC[NH2+]CC2)c2cccc(Cl)c2)c1 ZINC000422872788 1027354284 /nfs/dbraw/zinc/35/42/84/1027354284.db2.gz IQDOYGJPZMMEMB-GOSISDBHSA-N 2 2 318.823 3.910 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](Cc2ccccn2)CC1 ZINC000362760526 1027376296 /nfs/dbraw/zinc/37/62/96/1027376296.db2.gz VTDFULOMWMVERU-FQEVSTJZSA-N 2 2 309.457 3.568 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](Cc2ccccn2)CC1 ZINC000362760526 1027376312 /nfs/dbraw/zinc/37/63/12/1027376312.db2.gz VTDFULOMWMVERU-FQEVSTJZSA-N 2 2 309.457 3.568 20 0 DHADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccn2)CC1 ZINC000362760526 1027376322 /nfs/dbraw/zinc/37/63/22/1027376322.db2.gz VTDFULOMWMVERU-FQEVSTJZSA-N 2 2 309.457 3.568 20 0 DHADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000362760526 1027376338 /nfs/dbraw/zinc/37/63/38/1027376338.db2.gz VTDFULOMWMVERU-FQEVSTJZSA-N 2 2 309.457 3.568 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000295703617 1027397582 /nfs/dbraw/zinc/39/75/82/1027397582.db2.gz MNNYTJLJFWGLGF-NVXWUHKLSA-N 2 2 311.429 3.625 20 0 DHADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423052158 1027407678 /nfs/dbraw/zinc/40/76/78/1027407678.db2.gz PWHYKFUXUWXWFS-UYHISHBKSA-N 2 2 312.461 3.742 20 0 DHADLP CCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1Cl ZINC000423099943 1027419277 /nfs/dbraw/zinc/41/92/77/1027419277.db2.gz FWASCELVSGKPLW-DLBZAZTESA-N 2 2 316.832 3.973 20 0 DHADLP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423190573 1027448848 /nfs/dbraw/zinc/44/88/48/1027448848.db2.gz SRMQDKOTYBGWPX-SNVBAGLBSA-N 2 2 305.274 3.774 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423238842 1027459189 /nfs/dbraw/zinc/45/91/89/1027459189.db2.gz JQDLANYILDMZMM-DYVFJYSZSA-N 2 2 322.374 3.926 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCCc2c(F)cccc2Cl)C[N@@H+]1C1CC1 ZINC000562505367 1027466685 /nfs/dbraw/zinc/46/66/85/1027466685.db2.gz GUIAFBIYNAYAOT-OLZOCXBDSA-N 2 2 310.844 3.627 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCCc2c(F)cccc2Cl)C[N@H+]1C1CC1 ZINC000562505367 1027466692 /nfs/dbraw/zinc/46/66/92/1027466692.db2.gz GUIAFBIYNAYAOT-OLZOCXBDSA-N 2 2 310.844 3.627 20 0 DHADLP CC(C)([NH3+])C[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423282184 1027483751 /nfs/dbraw/zinc/48/37/51/1027483751.db2.gz CHQYFXLGWHFJCF-LLVKDONJSA-N 2 2 303.233 3.534 20 0 DHADLP [NH3+][C@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C1CC1 ZINC000423322147 1027499652 /nfs/dbraw/zinc/49/96/52/1027499652.db2.gz NQUNPLOCXMDJMS-MSOLQXFVSA-N 2 2 318.823 3.895 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000423295239 1027503163 /nfs/dbraw/zinc/50/31/63/1027503163.db2.gz DSBHXLNNHAPKRA-CABCVRRESA-N 2 2 318.383 3.500 20 0 DHADLP [NH3+]C1(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CCC1 ZINC000423323990 1027507617 /nfs/dbraw/zinc/50/76/17/1027507617.db2.gz JVIYRWVGVMRETF-KRWDZBQOSA-N 2 2 300.833 3.900 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cccs1 ZINC000423361448 1027521597 /nfs/dbraw/zinc/52/15/97/1027521597.db2.gz GUVVVECNEQQYDL-DETPVDSQSA-N 2 2 322.424 3.823 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OCC ZINC000423368453 1027524650 /nfs/dbraw/zinc/52/46/50/1027524650.db2.gz RYERAJSNLMDGHW-PVAVHDDUSA-N 2 2 320.477 3.523 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000423509481 1027568010 /nfs/dbraw/zinc/56/80/10/1027568010.db2.gz RMLHPMVXXABVTD-CVEARBPZSA-N 2 2 315.486 3.681 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000319728289 1027589380 /nfs/dbraw/zinc/58/93/80/1027589380.db2.gz BRCIZPMETWDNOV-GUYCJALGSA-N 2 2 319.424 3.796 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]c2ccc(N(C)C3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000813862088 1027732639 /nfs/dbraw/zinc/73/26/39/1027732639.db2.gz BFAQCPXAQDNLCY-VCBZYWHSSA-N 2 2 301.478 3.673 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305266 1027743009 /nfs/dbraw/zinc/74/30/09/1027743009.db2.gz GJBHJVWAPSMSBM-DOMZBBRYSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305266 1027743025 /nfs/dbraw/zinc/74/30/25/1027743025.db2.gz GJBHJVWAPSMSBM-DOMZBBRYSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305266 1027743041 /nfs/dbraw/zinc/74/30/41/1027743041.db2.gz GJBHJVWAPSMSBM-DOMZBBRYSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305266 1027743054 /nfs/dbraw/zinc/74/30/54/1027743054.db2.gz GJBHJVWAPSMSBM-DOMZBBRYSA-N 2 2 313.272 3.910 20 0 DHADLP CC(C)c1nccn1[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000364579430 1027845388 /nfs/dbraw/zinc/84/53/88/1027845388.db2.gz MDWARLZZFFWINF-GOSISDBHSA-N 2 2 318.509 3.519 20 0 DHADLP CC(C)c1nccn1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000364579430 1027845409 /nfs/dbraw/zinc/84/54/09/1027845409.db2.gz MDWARLZZFFWINF-GOSISDBHSA-N 2 2 318.509 3.519 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)[C@@H]1c1cccc(Cl)c1 ZINC000364604314 1027851868 /nfs/dbraw/zinc/85/18/68/1027851868.db2.gz JOXNKFLDUKYCJQ-NJAFHUGGSA-N 2 2 320.864 3.615 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)[C@@H]1c1cccc(Cl)c1 ZINC000364604314 1027851887 /nfs/dbraw/zinc/85/18/87/1027851887.db2.gz JOXNKFLDUKYCJQ-NJAFHUGGSA-N 2 2 320.864 3.615 20 0 DHADLP C([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751344 1027875276 /nfs/dbraw/zinc/87/52/76/1027875276.db2.gz GQZALKCJGMGROE-SOAMZJECSA-N 2 2 320.521 3.578 20 0 DHADLP C([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527751344 1027875302 /nfs/dbraw/zinc/87/53/02/1027875302.db2.gz GQZALKCJGMGROE-SOAMZJECSA-N 2 2 320.521 3.578 20 0 DHADLP Cc1ccc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)ccc2n1 ZINC000527809751 1027893179 /nfs/dbraw/zinc/89/31/79/1027893179.db2.gz NAFYTWCUOCIWTE-LJQANCHMSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1ccc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)ccc2n1 ZINC000527809751 1027893198 /nfs/dbraw/zinc/89/31/98/1027893198.db2.gz NAFYTWCUOCIWTE-LJQANCHMSA-N 2 2 309.457 3.650 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527806863 1027893646 /nfs/dbraw/zinc/89/36/46/1027893646.db2.gz FXPNOXHJDLRLQL-NFAWXSAZSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527806863 1027893667 /nfs/dbraw/zinc/89/36/67/1027893667.db2.gz FXPNOXHJDLRLQL-NFAWXSAZSA-N 2 2 304.400 3.714 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000527805472 1027906856 /nfs/dbraw/zinc/90/68/56/1027906856.db2.gz AORYAMIZGOPSPF-CWIOURORSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000527805472 1027906875 /nfs/dbraw/zinc/90/68/75/1027906875.db2.gz AORYAMIZGOPSPF-CWIOURORSA-N 2 2 306.400 3.585 20 0 DHADLP CCC[N@H+](Cc1ccccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189803 1027922973 /nfs/dbraw/zinc/92/29/73/1027922973.db2.gz OXEBWFIWUZTJKF-UHFFFAOYSA-N 2 2 323.484 3.958 20 0 DHADLP CCC[N@@H+](Cc1ccccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189803 1027922982 /nfs/dbraw/zinc/92/29/82/1027922982.db2.gz OXEBWFIWUZTJKF-UHFFFAOYSA-N 2 2 323.484 3.958 20 0 DHADLP CCC[N@H+](CCC[C@H](C)O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934184500 1027923853 /nfs/dbraw/zinc/92/38/53/1027923853.db2.gz CQLNQVQVZQRSHH-SFHVURJKSA-N 2 2 318.505 3.524 20 0 DHADLP CCC[N@@H+](CCC[C@H](C)O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934184500 1027923866 /nfs/dbraw/zinc/92/38/66/1027923866.db2.gz CQLNQVQVZQRSHH-SFHVURJKSA-N 2 2 318.505 3.524 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc2c(c1)COC2 ZINC000527946577 1027978634 /nfs/dbraw/zinc/97/86/34/1027978634.db2.gz HQJPJRDGJVKRLN-FOIQADDNSA-N 2 2 314.473 3.774 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1ccc2c(c1)COC2 ZINC000527946577 1027978651 /nfs/dbraw/zinc/97/86/51/1027978651.db2.gz HQJPJRDGJVKRLN-FOIQADDNSA-N 2 2 314.473 3.774 20 0 DHADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccnc1 ZINC000527944334 1027978691 /nfs/dbraw/zinc/97/86/91/1027978691.db2.gz CQNDLPDQEBATMQ-OALUTQOASA-N 2 2 301.478 3.775 20 0 DHADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cccnc1 ZINC000527944334 1027978699 /nfs/dbraw/zinc/97/86/99/1027978699.db2.gz CQNDLPDQEBATMQ-OALUTQOASA-N 2 2 301.478 3.775 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000814290976 1027991279 /nfs/dbraw/zinc/99/12/79/1027991279.db2.gz VGPJIXQAKLQVQC-FDWYHIAWSA-N 2 2 316.489 3.700 20 0 DHADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1F ZINC000528014959 1028040863 /nfs/dbraw/zinc/04/08/63/1028040863.db2.gz WDYZQRLORCVQCR-BBRMVZONSA-N 2 2 306.425 3.502 20 0 DHADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1F ZINC000528014959 1028040880 /nfs/dbraw/zinc/04/08/80/1028040880.db2.gz WDYZQRLORCVQCR-BBRMVZONSA-N 2 2 306.425 3.502 20 0 DHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000366184234 1028056854 /nfs/dbraw/zinc/05/68/54/1028056854.db2.gz UHTNDTBMZHYHSP-INIZCTEOSA-N 2 2 320.502 3.517 20 0 DHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000366184234 1028056874 /nfs/dbraw/zinc/05/68/74/1028056874.db2.gz UHTNDTBMZHYHSP-INIZCTEOSA-N 2 2 320.502 3.517 20 0 DHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000366184236 1028059381 /nfs/dbraw/zinc/05/93/81/1028059381.db2.gz UHTNDTBMZHYHSP-MRXNPFEDSA-N 2 2 320.502 3.517 20 0 DHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000366184236 1028059400 /nfs/dbraw/zinc/05/94/00/1028059400.db2.gz UHTNDTBMZHYHSP-MRXNPFEDSA-N 2 2 320.502 3.517 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000366229956 1028063992 /nfs/dbraw/zinc/06/39/92/1028063992.db2.gz JZVWCCWWSVIDGA-NVXWUHKLSA-N 2 2 313.445 3.818 20 0 DHADLP CCc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000578472972 1028160617 /nfs/dbraw/zinc/16/06/17/1028160617.db2.gz XCNXJPQUKKMFNR-MRXNPFEDSA-N 2 2 321.424 3.879 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000367701384 1028229132 /nfs/dbraw/zinc/22/91/32/1028229132.db2.gz GIVRTTLGAZPRDS-HNNXBMFYSA-N 2 2 323.396 3.795 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000367701384 1028229143 /nfs/dbraw/zinc/22/91/43/1028229143.db2.gz GIVRTTLGAZPRDS-HNNXBMFYSA-N 2 2 323.396 3.795 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000449011209 1028260838 /nfs/dbraw/zinc/26/08/38/1028260838.db2.gz PHYUJRSMCSASEC-UHFFFAOYSA-N 2 2 324.468 3.909 20 0 DHADLP c1csc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)c1 ZINC000367994260 1028273438 /nfs/dbraw/zinc/27/34/38/1028273438.db2.gz KCFZSXJXOHRNMG-SUMWQHHRSA-N 2 2 301.459 3.850 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C(F)(F)F)c1 ZINC000368099491 1028296863 /nfs/dbraw/zinc/29/68/63/1028296863.db2.gz FQLBYJSXGVJFNB-ZWNOBZJWSA-N 2 2 309.335 3.637 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(F)c1 ZINC000368101516 1028299425 /nfs/dbraw/zinc/29/94/25/1028299425.db2.gz KXAUOFOOQMOVNV-PXAZEXFGSA-N 2 2 305.372 3.532 20 0 DHADLP CCCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000368098648 1028299644 /nfs/dbraw/zinc/29/96/44/1028299644.db2.gz CGYYUIREJWNXTA-JKSUJKDBSA-N 2 2 301.409 3.927 20 0 DHADLP Clc1ccc([C@H]2CC[C@@H]([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000449060657 1028300071 /nfs/dbraw/zinc/30/00/71/1028300071.db2.gz DMIQVQWGWVHAAK-DOTOQJQBSA-N 2 2 303.837 3.853 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102782 1028301018 /nfs/dbraw/zinc/30/10/18/1028301018.db2.gz PTJNQWQBXFTRCV-WCQYABFASA-N 2 2 323.362 3.507 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1OC(F)F ZINC000368101926 1028301467 /nfs/dbraw/zinc/30/14/67/1028301467.db2.gz LSQSUPAMMKEFNH-AAEUAGOBSA-N 2 2 321.371 3.609 20 0 DHADLP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)oc2cc1C ZINC000368105663 1028303298 /nfs/dbraw/zinc/30/32/98/1028303298.db2.gz VGSADKVQJUXJAX-DZGCQCFKSA-N 2 2 309.413 3.981 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)o1 ZINC000368105959 1028303749 /nfs/dbraw/zinc/30/37/49/1028303749.db2.gz YWWVDQRUZQSZCI-HIFRSBDPSA-N 2 2 307.397 3.878 20 0 DHADLP Cc1cc2cc([C@@H](C)[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)oc2cc1C ZINC000368105665 1028305216 /nfs/dbraw/zinc/30/52/16/1028305216.db2.gz VGSADKVQJUXJAX-UKRRQHHQSA-N 2 2 309.413 3.981 20 0 DHADLP C1CCC(OC2CCC([NH2+][C@H]3CC[N@@H+](C4CCCC4)C3)CC2)C1 ZINC000449130148 1028384205 /nfs/dbraw/zinc/38/42/05/1028384205.db2.gz XSBHLOHUYAXFTG-GNZRSQJKSA-N 2 2 320.521 3.863 20 0 DHADLP C1CCC(OC2CCC([NH2+][C@H]3CC[N@H+](C4CCCC4)C3)CC2)C1 ZINC000449130148 1028384218 /nfs/dbraw/zinc/38/42/18/1028384218.db2.gz XSBHLOHUYAXFTG-GNZRSQJKSA-N 2 2 320.521 3.863 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000369032558 1028437675 /nfs/dbraw/zinc/43/76/75/1028437675.db2.gz MKXXXZMKEMFONU-OAHLLOKOSA-N 2 2 324.428 3.985 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000369032558 1028437682 /nfs/dbraw/zinc/43/76/82/1028437682.db2.gz MKXXXZMKEMFONU-OAHLLOKOSA-N 2 2 324.428 3.985 20 0 DHADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000564431944 1028442917 /nfs/dbraw/zinc/44/29/17/1028442917.db2.gz MCNFHYKHGQZCHS-MAUKXSAKSA-N 2 2 324.896 3.882 20 0 DHADLP COC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000564431944 1028442927 /nfs/dbraw/zinc/44/29/27/1028442927.db2.gz MCNFHYKHGQZCHS-MAUKXSAKSA-N 2 2 324.896 3.882 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449216060 1028460202 /nfs/dbraw/zinc/46/02/02/1028460202.db2.gz ZURVWASVKDOTKM-LPHOPBHVSA-N 2 2 313.489 3.919 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449230356 1028468697 /nfs/dbraw/zinc/46/86/97/1028468697.db2.gz KANHTMLFPZTXCQ-HNNXBMFYSA-N 2 2 309.413 3.621 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449230356 1028468703 /nfs/dbraw/zinc/46/87/03/1028468703.db2.gz KANHTMLFPZTXCQ-HNNXBMFYSA-N 2 2 309.413 3.621 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccsc3)[C@H](C)C2)s1 ZINC000369590182 1028507349 /nfs/dbraw/zinc/50/73/49/1028507349.db2.gz DXSVBGXBOSLVFJ-MLGOLLRUSA-N 2 2 321.515 3.513 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccsc3)[C@H](C)C2)s1 ZINC000369590182 1028507367 /nfs/dbraw/zinc/50/73/67/1028507367.db2.gz DXSVBGXBOSLVFJ-MLGOLLRUSA-N 2 2 321.515 3.513 20 0 DHADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449300433 1028520175 /nfs/dbraw/zinc/52/01/75/1028520175.db2.gz DPZOJDGRUKXBNN-SFHVURJKSA-N 2 2 320.521 3.724 20 0 DHADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000565683913 1028620816 /nfs/dbraw/zinc/62/08/16/1028620816.db2.gz NTSIOUUUBJZORT-IIBYNOLFSA-N 2 2 322.452 3.763 20 0 DHADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1cccc(Cl)c1 ZINC000371133084 1028670552 /nfs/dbraw/zinc/67/05/52/1028670552.db2.gz IQKQMBNVXFSGKB-SJLPKXTDSA-N 2 2 317.864 3.841 20 0 DHADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1cccc(Cl)c1 ZINC000371133084 1028670559 /nfs/dbraw/zinc/67/05/59/1028670559.db2.gz IQKQMBNVXFSGKB-SJLPKXTDSA-N 2 2 317.864 3.841 20 0 DHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C/C=C/c2ccncc2)CCC1 ZINC000449473689 1028673902 /nfs/dbraw/zinc/67/39/02/1028673902.db2.gz IGSBPYVSABQHKF-WEVVVXLNSA-N 2 2 321.468 3.739 20 0 DHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C/C=C/c2ccncc2)CCC1 ZINC000449473689 1028673917 /nfs/dbraw/zinc/67/39/17/1028673917.db2.gz IGSBPYVSABQHKF-WEVVVXLNSA-N 2 2 321.468 3.739 20 0 DHADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1F ZINC000371311412 1028688835 /nfs/dbraw/zinc/68/88/35/1028688835.db2.gz WFYCIRULLQLVMX-DZGCQCFKSA-N 2 2 317.408 3.567 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C(C)(C)C ZINC000779197544 1028689879 /nfs/dbraw/zinc/68/98/79/1028689879.db2.gz CZLLGIRGSXHBTK-CYBMUJFWSA-N 2 2 311.539 3.897 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccnc2Cl)[C@H]1c1ccccc1 ZINC000371721625 1028750429 /nfs/dbraw/zinc/75/04/29/1028750429.db2.gz AMBUPMYZHFUUCT-NVXWUHKLSA-N 2 2 315.848 3.518 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]Cc2cccnc2Cl)[C@H]1c1ccccc1 ZINC000371721625 1028750444 /nfs/dbraw/zinc/75/04/44/1028750444.db2.gz AMBUPMYZHFUUCT-NVXWUHKLSA-N 2 2 315.848 3.518 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528745800 1028754395 /nfs/dbraw/zinc/75/43/95/1028754395.db2.gz RXTPLRLNKLFHHX-KRWDZBQOSA-N 2 2 301.409 3.599 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528745800 1028754411 /nfs/dbraw/zinc/75/44/11/1028754411.db2.gz RXTPLRLNKLFHHX-KRWDZBQOSA-N 2 2 301.409 3.599 20 0 DHADLP CCc1noc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000119213700 1028773142 /nfs/dbraw/zinc/77/31/42/1028773142.db2.gz OMNBCLLMGCZJBK-QGZVFWFLSA-N 2 2 319.493 3.633 20 0 DHADLP CCc1noc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000119213700 1028773154 /nfs/dbraw/zinc/77/31/54/1028773154.db2.gz OMNBCLLMGCZJBK-QGZVFWFLSA-N 2 2 319.493 3.633 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000373010380 1028935515 /nfs/dbraw/zinc/93/55/15/1028935515.db2.gz BUINPYJSDRPVDY-OAHLLOKOSA-N 2 2 307.507 3.717 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000373010380 1028935527 /nfs/dbraw/zinc/93/55/27/1028935527.db2.gz BUINPYJSDRPVDY-OAHLLOKOSA-N 2 2 307.507 3.717 20 0 DHADLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCCS1 ZINC000628205508 1028938779 /nfs/dbraw/zinc/93/87/79/1028938779.db2.gz RUEIZFNQUSQWAB-GOSISDBHSA-N 2 2 322.493 3.665 20 0 DHADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000373186129 1028970188 /nfs/dbraw/zinc/97/01/88/1028970188.db2.gz NFDQGOLSBPZSJV-NBMJBFSESA-N 2 2 320.525 3.607 20 0 DHADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000373186129 1028970192 /nfs/dbraw/zinc/97/01/92/1028970192.db2.gz NFDQGOLSBPZSJV-NBMJBFSESA-N 2 2 320.525 3.607 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281080 1028988638 /nfs/dbraw/zinc/98/86/38/1028988638.db2.gz ZPJZPQHBZQIPNT-CHWSQXEVSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281080 1028988653 /nfs/dbraw/zinc/98/86/53/1028988653.db2.gz ZPJZPQHBZQIPNT-CHWSQXEVSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281080 1028988665 /nfs/dbraw/zinc/98/86/65/1028988665.db2.gz ZPJZPQHBZQIPNT-CHWSQXEVSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281080 1028988678 /nfs/dbraw/zinc/98/86/78/1028988678.db2.gz ZPJZPQHBZQIPNT-CHWSQXEVSA-N 2 2 318.408 3.683 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccsc3)C2)CC1 ZINC000373491260 1029059440 /nfs/dbraw/zinc/05/94/40/1029059440.db2.gz UPKXESDAJXQGCM-UHFFFAOYSA-N 2 2 318.408 3.643 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000568699381 1029114691 /nfs/dbraw/zinc/11/46/91/1029114691.db2.gz SKBGECAKICRLPQ-UELRPHRMSA-N 2 2 324.415 3.764 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000568699381 1029114699 /nfs/dbraw/zinc/11/46/99/1029114699.db2.gz SKBGECAKICRLPQ-UELRPHRMSA-N 2 2 324.415 3.764 20 0 DHADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000374060432 1029197054 /nfs/dbraw/zinc/19/70/54/1029197054.db2.gz BGZHEFSAFWXLJY-YQVWRLOYSA-N 2 2 303.494 3.564 20 0 DHADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000374060432 1029197059 /nfs/dbraw/zinc/19/70/59/1029197059.db2.gz BGZHEFSAFWXLJY-YQVWRLOYSA-N 2 2 303.494 3.564 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC000374063622 1029197107 /nfs/dbraw/zinc/19/71/07/1029197107.db2.gz GEDJNQZLGLUFIP-OAQYLSRUSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC000374063622 1029197108 /nfs/dbraw/zinc/19/71/08/1029197108.db2.gz GEDJNQZLGLUFIP-OAQYLSRUSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC000374063622 1029197111 /nfs/dbraw/zinc/19/71/11/1029197111.db2.gz GEDJNQZLGLUFIP-OAQYLSRUSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC000374063622 1029197112 /nfs/dbraw/zinc/19/71/12/1029197112.db2.gz GEDJNQZLGLUFIP-OAQYLSRUSA-N 2 2 321.468 3.570 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000374273892 1029267935 /nfs/dbraw/zinc/26/79/35/1029267935.db2.gz WKCSEHSDCPVOED-QGZVFWFLSA-N 2 2 315.465 3.621 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000374273892 1029267946 /nfs/dbraw/zinc/26/79/46/1029267946.db2.gz WKCSEHSDCPVOED-QGZVFWFLSA-N 2 2 315.465 3.621 20 0 DHADLP CC[NH+]1CCC(Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450230130 1029284935 /nfs/dbraw/zinc/28/49/35/1029284935.db2.gz ZCZYZMAXCGKALT-UHFFFAOYSA-N 2 2 323.362 4.150 20 0 DHADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817954420 1029294343 /nfs/dbraw/zinc/29/43/43/1029294343.db2.gz COSJGQOEHORQHN-ZUZCIYMTSA-N 2 2 324.255 3.926 20 0 DHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(C(C)C)s2)CC1 ZINC000450269720 1029316368 /nfs/dbraw/zinc/31/63/68/1029316368.db2.gz NTQLQZKZXWYHRE-UHFFFAOYSA-N 2 2 324.538 3.605 20 0 DHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(C(C)C)s2)CC1 ZINC000450269720 1029316381 /nfs/dbraw/zinc/31/63/81/1029316381.db2.gz NTQLQZKZXWYHRE-UHFFFAOYSA-N 2 2 324.538 3.605 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCS2 ZINC000629517545 1029356227 /nfs/dbraw/zinc/35/62/27/1029356227.db2.gz UXLBWJCIKYDBCR-DOTOQJQBSA-N 2 2 302.487 3.715 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000629539357 1029362724 /nfs/dbraw/zinc/36/27/24/1029362724.db2.gz OGVWZAGKGYHDDS-YRGRVCCFSA-N 2 2 314.445 3.835 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC(F)(F)C1 ZINC000529533563 1029367559 /nfs/dbraw/zinc/36/75/59/1029367559.db2.gz RGHVHVGQFKEGNI-LLVKDONJSA-N 2 2 309.335 3.535 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000629654260 1029407178 /nfs/dbraw/zinc/40/71/78/1029407178.db2.gz GZEJEVDIACVZEQ-QWHCGFSZSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1Cl ZINC000629654260 1029407184 /nfs/dbraw/zinc/40/71/84/1029407184.db2.gz GZEJEVDIACVZEQ-QWHCGFSZSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000450632985 1029588731 /nfs/dbraw/zinc/58/87/31/1029588731.db2.gz VCFUUOOWDGCDHG-HNNXBMFYSA-N 2 2 317.864 3.837 20 0 DHADLP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000450632985 1029588739 /nfs/dbraw/zinc/58/87/39/1029588739.db2.gz VCFUUOOWDGCDHG-HNNXBMFYSA-N 2 2 317.864 3.837 20 0 DHADLP c1cn(Cc2ccc(Cn3cc[nH+]c3C3CC3)cc2)c(C2CC2)[nH+]1 ZINC000530134679 1029758682 /nfs/dbraw/zinc/75/86/82/1029758682.db2.gz LFJRLGLEPYDDQW-UHFFFAOYSA-N 2 2 318.424 3.931 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)(F)F)cc1 ZINC000530222779 1029782197 /nfs/dbraw/zinc/78/21/97/1029782197.db2.gz RQGFXSZBUZFHEM-BXUZGUMPSA-N 2 2 314.351 3.520 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000303632972 1029796048 /nfs/dbraw/zinc/79/60/48/1029796048.db2.gz YZLULADDCJQWOK-OAQYLSRUSA-N 2 2 317.436 3.862 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000303632972 1029796058 /nfs/dbraw/zinc/79/60/58/1029796058.db2.gz YZLULADDCJQWOK-OAQYLSRUSA-N 2 2 317.436 3.862 20 0 DHADLP CC(C)C[C@@H](C)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000290191948 1029941739 /nfs/dbraw/zinc/94/17/39/1029941739.db2.gz CHCMWFNBKSQPTM-SJORKVTESA-N 2 2 303.494 3.879 20 0 DHADLP CCC[C@H](CC)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001257246726 1029994776 /nfs/dbraw/zinc/99/47/76/1029994776.db2.gz MFIGWPKDKPETAE-ZDUSSCGKSA-N 2 2 315.552 3.606 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290496527 1030075815 /nfs/dbraw/zinc/07/58/15/1030075815.db2.gz YALUMIOZLUPHKE-FTRWYGJKSA-N 2 2 321.424 3.645 20 0 DHADLP C[NH+]1CCC2(CCN(c3[nH+]ccc4cc(F)ccc43)CC2)CC1 ZINC000866055216 1030119124 /nfs/dbraw/zinc/11/91/24/1030119124.db2.gz QGPFYFJSVZMFHW-UHFFFAOYSA-N 2 2 313.420 3.686 20 0 DHADLP CC(C)c1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000924551249 1030122290 /nfs/dbraw/zinc/12/22/90/1030122290.db2.gz IAAFXXFXYRLVIU-FQEVSTJZSA-N 2 2 320.440 3.781 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1nccc2ccccc21 ZINC000290606505 1030122562 /nfs/dbraw/zinc/12/25/62/1030122562.db2.gz HQDATPKRPKTKCM-OAHLLOKOSA-N 2 2 306.413 3.783 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924580420 1030129418 /nfs/dbraw/zinc/12/94/18/1030129418.db2.gz WWEASXQTFMGDSP-INIZCTEOSA-N 2 2 307.869 3.576 20 0 DHADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000924605493 1030136981 /nfs/dbraw/zinc/13/69/81/1030136981.db2.gz VTYSUYHADAFKFN-XVLXNVKGSA-N 2 2 316.514 3.840 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866273399 1030194702 /nfs/dbraw/zinc/19/47/02/1030194702.db2.gz LNIHXTMDECIOTK-GRYCIOLGSA-N 2 2 307.825 3.615 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866273399 1030194691 /nfs/dbraw/zinc/19/46/91/1030194691.db2.gz LNIHXTMDECIOTK-GRYCIOLGSA-N 2 2 307.825 3.615 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccns1 ZINC000924876060 1030213779 /nfs/dbraw/zinc/21/37/79/1030213779.db2.gz ZSUQRSONNTYVEP-KBPBESRZSA-N 2 2 321.515 3.767 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccns1 ZINC000924876060 1030213796 /nfs/dbraw/zinc/21/37/96/1030213796.db2.gz ZSUQRSONNTYVEP-KBPBESRZSA-N 2 2 321.515 3.767 20 0 DHADLP Clc1ccnc2c1CC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000924924490 1030227825 /nfs/dbraw/zinc/22/78/25/1030227825.db2.gz AAXALSHYPDACRV-OAHLLOKOSA-N 2 2 316.836 3.599 20 0 DHADLP CC(C)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000925057327 1030260191 /nfs/dbraw/zinc/26/01/91/1030260191.db2.gz FXGCATIEZRSJQH-UHOSZYNNSA-N 2 2 318.505 3.767 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000925142578 1030282876 /nfs/dbraw/zinc/28/28/76/1030282876.db2.gz OULSYYGEWCSGHR-NEWSRXKRSA-N 2 2 312.457 3.944 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000925142578 1030282890 /nfs/dbraw/zinc/28/28/90/1030282890.db2.gz OULSYYGEWCSGHR-NEWSRXKRSA-N 2 2 312.457 3.944 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1csc(C(F)(F)F)c1 ZINC000925144588 1030283747 /nfs/dbraw/zinc/28/37/47/1030283747.db2.gz VAQPZPUFMSXKBH-JBLDHEPKSA-N 2 2 306.397 3.900 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1csc(C(F)(F)F)c1 ZINC000925144588 1030283757 /nfs/dbraw/zinc/28/37/57/1030283757.db2.gz VAQPZPUFMSXKBH-JBLDHEPKSA-N 2 2 306.397 3.900 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(OC)n1 ZINC000925222211 1030307569 /nfs/dbraw/zinc/30/75/69/1030307569.db2.gz VFZREZDRYMVZCP-QGZVFWFLSA-N 2 2 317.477 3.538 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccns1 ZINC000925221384 1030308843 /nfs/dbraw/zinc/30/88/43/1030308843.db2.gz MOCUCKCZRWAPDZ-VYDXJSESSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccns1 ZINC000925221384 1030308859 /nfs/dbraw/zinc/30/88/59/1030308859.db2.gz MOCUCKCZRWAPDZ-VYDXJSESSA-N 2 2 315.486 3.704 20 0 DHADLP Fc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000557846120 1030322851 /nfs/dbraw/zinc/32/28/51/1030322851.db2.gz XHTXERIJWNHFLZ-UHFFFAOYSA-N 2 2 308.416 3.852 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000246178753 1030359363 /nfs/dbraw/zinc/35/93/63/1030359363.db2.gz NDJHCIVWQRKLKZ-RHSMWYFYSA-N 2 2 304.459 3.822 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000246178753 1030359383 /nfs/dbraw/zinc/35/93/83/1030359383.db2.gz NDJHCIVWQRKLKZ-RHSMWYFYSA-N 2 2 304.459 3.822 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866561991 1030372883 /nfs/dbraw/zinc/37/28/83/1030372883.db2.gz NEFXJZGHFOKJJH-OALUTQOASA-N 2 2 308.510 3.578 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866561991 1030372898 /nfs/dbraw/zinc/37/28/98/1030372898.db2.gz NEFXJZGHFOKJJH-OALUTQOASA-N 2 2 308.510 3.578 20 0 DHADLP CCC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCCCC1 ZINC000358218868 1030384614 /nfs/dbraw/zinc/38/46/14/1030384614.db2.gz BYJAHMXVTLKHIQ-UHFFFAOYSA-N 2 2 315.505 3.996 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC[N@@H+]1C ZINC000866576492 1030384560 /nfs/dbraw/zinc/38/45/60/1030384560.db2.gz GJBWDLRIGHTOFY-SKDRFNHKSA-N 2 2 305.224 3.705 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC[N@H+]1C ZINC000866576492 1030384571 /nfs/dbraw/zinc/38/45/71/1030384571.db2.gz GJBWDLRIGHTOFY-SKDRFNHKSA-N 2 2 305.224 3.705 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000925591938 1030414106 /nfs/dbraw/zinc/41/41/06/1030414106.db2.gz UNFBZQWMTJSQDI-LJQPEZLNSA-N 2 2 313.489 3.775 20 0 DHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000866706739 1030427769 /nfs/dbraw/zinc/42/77/69/1030427769.db2.gz QSVAYQWMIFDTDS-KRWDZBQOSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000866706739 1030427771 /nfs/dbraw/zinc/42/77/71/1030427771.db2.gz QSVAYQWMIFDTDS-KRWDZBQOSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000866706723 1030428214 /nfs/dbraw/zinc/42/82/14/1030428214.db2.gz QPTOCIAHFMDJES-GOSISDBHSA-N 2 2 321.534 3.998 20 0 DHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000866706723 1030428223 /nfs/dbraw/zinc/42/82/23/1030428223.db2.gz QPTOCIAHFMDJES-GOSISDBHSA-N 2 2 321.534 3.998 20 0 DHADLP FC(F)(F)Cc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925719852 1030462983 /nfs/dbraw/zinc/46/29/83/1030462983.db2.gz VDSRFNDCUSFVGB-HNNXBMFYSA-N 2 2 312.379 3.556 20 0 DHADLP COc1ccc(C2CC2)cc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925738154 1030471536 /nfs/dbraw/zinc/47/15/36/1030471536.db2.gz WAXTZPNNWYZJCY-MOPGFXCFSA-N 2 2 308.425 3.807 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(N)cc[nH+]1)[C@H](C)c1nc2ccccc2s1 ZINC000925771952 1030488871 /nfs/dbraw/zinc/48/88/71/1030488871.db2.gz PJHSQKRPJLVJAI-NWDGAFQWSA-N 2 2 312.442 3.555 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666769696 1030550691 /nfs/dbraw/zinc/55/06/91/1030550691.db2.gz CFBONIQATFNIOM-GOSISDBHSA-N 2 2 310.441 3.594 20 0 DHADLP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171055584 1030552779 /nfs/dbraw/zinc/55/27/79/1030552779.db2.gz IDZWGNGILZEWLU-INIZCTEOSA-N 2 2 306.881 3.613 20 0 DHADLP CC[N@@H+](C)C1CC[NH+]([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171055584 1030552783 /nfs/dbraw/zinc/55/27/83/1030552783.db2.gz IDZWGNGILZEWLU-INIZCTEOSA-N 2 2 306.881 3.613 20 0 DHADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926120071 1030626083 /nfs/dbraw/zinc/62/60/83/1030626083.db2.gz UDHXQXIYLKIMJP-KMFMINBZSA-N 2 2 317.477 3.603 20 0 DHADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926120071 1030626087 /nfs/dbraw/zinc/62/60/87/1030626087.db2.gz UDHXQXIYLKIMJP-KMFMINBZSA-N 2 2 317.477 3.603 20 0 DHADLP Cc1ncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000247068950 1030672725 /nfs/dbraw/zinc/67/27/25/1030672725.db2.gz URXWYTNSJNMMKG-GDBMZVCRSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000247068950 1030672732 /nfs/dbraw/zinc/67/27/32/1030672732.db2.gz URXWYTNSJNMMKG-GDBMZVCRSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)s1 ZINC000247068950 1030672736 /nfs/dbraw/zinc/67/27/36/1030672736.db2.gz URXWYTNSJNMMKG-GDBMZVCRSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)s1 ZINC000247068950 1030672743 /nfs/dbraw/zinc/67/27/43/1030672743.db2.gz URXWYTNSJNMMKG-GDBMZVCRSA-N 2 2 307.507 3.538 20 0 DHADLP CN(c1ccc([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1)C1CC[NH+](C)CC1 ZINC000824969050 1030688398 /nfs/dbraw/zinc/68/83/98/1030688398.db2.gz HRIIKTGIMPBMIG-UIAACRFSSA-N 2 2 313.489 3.818 20 0 DHADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247446637 1030691043 /nfs/dbraw/zinc/69/10/43/1030691043.db2.gz YHEVPTDGEQDXQE-CABCVRRESA-N 2 2 301.409 3.575 20 0 DHADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247446637 1030691048 /nfs/dbraw/zinc/69/10/48/1030691048.db2.gz YHEVPTDGEQDXQE-CABCVRRESA-N 2 2 301.409 3.575 20 0 DHADLP Cc1cc(C)cc([C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c2cccnc2)c1 ZINC000926475658 1030755741 /nfs/dbraw/zinc/75/57/41/1030755741.db2.gz VGXSJZYYZHRXLT-XLIONFOSSA-N 2 2 311.473 3.575 20 0 DHADLP c1csc([C@H]2C[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CCO2)c1 ZINC000926565505 1030801857 /nfs/dbraw/zinc/80/18/57/1030801857.db2.gz SWVPGGDGWAVTQD-QBPKDAKJSA-N 2 2 320.502 3.575 20 0 DHADLP c1csc([C@H]2C[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CCO2)c1 ZINC000926565505 1030801881 /nfs/dbraw/zinc/80/18/81/1030801881.db2.gz SWVPGGDGWAVTQD-QBPKDAKJSA-N 2 2 320.502 3.575 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000558788507 1030806569 /nfs/dbraw/zinc/80/65/69/1030806569.db2.gz NMAIMWPYCJSKLU-SUNKGSAMSA-N 2 2 301.261 3.812 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000558788507 1030806591 /nfs/dbraw/zinc/80/65/91/1030806591.db2.gz NMAIMWPYCJSKLU-SUNKGSAMSA-N 2 2 301.261 3.812 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccnc1 ZINC000359280147 1030879090 /nfs/dbraw/zinc/87/90/90/1030879090.db2.gz WLJNXAMBOBSAQG-FQEVSTJZSA-N 2 2 320.440 3.813 20 0 DHADLP CCOc1c(F)cc(C[N@H+](CC)CCC[NH+](C)C)cc1Cl ZINC001143745951 1030943255 /nfs/dbraw/zinc/94/32/55/1030943255.db2.gz IITQLRYPFWEXFV-UHFFFAOYSA-N 2 2 316.848 3.651 20 0 DHADLP CCOc1c(F)cc(C[N@@H+](CC)CCC[NH+](C)C)cc1Cl ZINC001143745951 1030943263 /nfs/dbraw/zinc/94/32/63/1030943263.db2.gz IITQLRYPFWEXFV-UHFFFAOYSA-N 2 2 316.848 3.651 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]C1CC2(C1)CCCCC2)c1cccnc1 ZINC000926898665 1030976098 /nfs/dbraw/zinc/97/60/98/1030976098.db2.gz NRMMZXFAFSIULW-SFHVURJKSA-N 2 2 301.478 3.777 20 0 DHADLP FC1(F)[C@@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@@H]1c1ccccc1 ZINC000926977682 1031024589 /nfs/dbraw/zinc/02/45/89/1031024589.db2.gz PCMDJOHPJVOAEE-MHORFTMASA-N 2 2 320.427 3.642 20 0 DHADLP FC1(F)[C@@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@@H]1c1ccccc1 ZINC000926977682 1031024604 /nfs/dbraw/zinc/02/46/04/1031024604.db2.gz PCMDJOHPJVOAEE-MHORFTMASA-N 2 2 320.427 3.642 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1C ZINC001143928938 1031071511 /nfs/dbraw/zinc/07/15/11/1031071511.db2.gz BAPMLEWILWXOJW-UHFFFAOYSA-N 2 2 311.351 3.732 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1C ZINC001143928938 1031071528 /nfs/dbraw/zinc/07/15/28/1031071528.db2.gz BAPMLEWILWXOJW-UHFFFAOYSA-N 2 2 311.351 3.732 20 0 DHADLP Cc1nc2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2s1 ZINC000261962539 1031083559 /nfs/dbraw/zinc/08/35/59/1031083559.db2.gz PJEIZDHVKAYVAW-UHFFFAOYSA-N 2 2 315.486 3.569 20 0 DHADLP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC[NH2+]C1 ZINC000261978964 1031085495 /nfs/dbraw/zinc/08/54/95/1031085495.db2.gz IYXLBHNEZASSNB-HZPDHXFCSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@]1(C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC[NH2+]C1 ZINC000261978964 1031085512 /nfs/dbraw/zinc/08/55/12/1031085512.db2.gz IYXLBHNEZASSNB-HZPDHXFCSA-N 2 2 323.278 3.586 20 0 DHADLP CCc1onc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000927137651 1031112987 /nfs/dbraw/zinc/11/29/87/1031112987.db2.gz AGCPNAPWOMAAOQ-KBXCAEBGSA-N 2 2 319.493 3.678 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171133707 1031214555 /nfs/dbraw/zinc/21/45/55/1031214555.db2.gz OKEPUEOBHSBQCB-AWEZNQCLSA-N 2 2 315.288 3.782 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000359958395 1031217266 /nfs/dbraw/zinc/21/72/66/1031217266.db2.gz MKTYHQYOZGVWQN-GFCCVEGCSA-N 2 2 317.339 3.600 20 0 DHADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139242 1031240649 /nfs/dbraw/zinc/24/06/49/1031240649.db2.gz KCONQPOVLIUVKE-ZIAGYGMSSA-N 2 2 313.272 3.535 20 0 DHADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139242 1031240656 /nfs/dbraw/zinc/24/06/56/1031240656.db2.gz KCONQPOVLIUVKE-ZIAGYGMSSA-N 2 2 313.272 3.535 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(F)cccc1Cl)CCC2 ZINC000360141223 1031291804 /nfs/dbraw/zinc/29/18/04/1031291804.db2.gz OWUWFEGJMFQBQS-LBPRGKRZSA-N 2 2 307.800 3.651 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000872029343 1031414147 /nfs/dbraw/zinc/41/41/47/1031414147.db2.gz WJEKQFZAQPUOFL-AEFFLSMTSA-N 2 2 313.445 3.556 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC000293301458 1031418052 /nfs/dbraw/zinc/41/80/52/1031418052.db2.gz DTQIEEJAJDLRHL-RTWAWAEBSA-N 2 2 324.468 3.535 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872061059 1031454804 /nfs/dbraw/zinc/45/48/04/1031454804.db2.gz VLKSHZWCNHDOCA-ILXRZTDVSA-N 2 2 320.452 3.835 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000872061059 1031454808 /nfs/dbraw/zinc/45/48/08/1031454808.db2.gz VLKSHZWCNHDOCA-ILXRZTDVSA-N 2 2 320.452 3.835 20 0 DHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(C(C)C)ns2)CC1 ZINC000929297737 1031486338 /nfs/dbraw/zinc/48/63/38/1031486338.db2.gz SGVYXQJLCVFYJB-UHFFFAOYSA-N 2 2 324.538 3.605 20 0 DHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(C(C)C)ns2)CC1 ZINC000929297737 1031486345 /nfs/dbraw/zinc/48/63/45/1031486345.db2.gz SGVYXQJLCVFYJB-UHFFFAOYSA-N 2 2 324.538 3.605 20 0 DHADLP Cc1nc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)sc1C ZINC001144377609 1031510829 /nfs/dbraw/zinc/51/08/29/1031510829.db2.gz AVGFFLAPCPAMEZ-UHFFFAOYSA-N 2 2 307.507 3.599 20 0 DHADLP Cc1nc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)sc1C ZINC001144377609 1031510839 /nfs/dbraw/zinc/51/08/39/1031510839.db2.gz AVGFFLAPCPAMEZ-UHFFFAOYSA-N 2 2 307.507 3.599 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1nccn1C ZINC000360791116 1031563925 /nfs/dbraw/zinc/56/39/25/1031563925.db2.gz DQRIMCQDUMQGBX-SFHVURJKSA-N 2 2 318.509 3.506 20 0 DHADLP c1cn(C2CC[NH+](C[C@@H]3CCC4(CCCCCC4)O3)CC2)c[nH+]1 ZINC000929803177 1031614393 /nfs/dbraw/zinc/61/43/93/1031614393.db2.gz CTXRJMWEKADRHE-SFHVURJKSA-N 2 2 317.477 3.792 20 0 DHADLP Cc1cccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000537457517 1031623078 /nfs/dbraw/zinc/62/30/78/1031623078.db2.gz HDVDHBZWFDWFIK-LPHOPBHVSA-N 2 2 324.472 3.703 20 0 DHADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CSc4ccccc43)cc2)c[nH+]1 ZINC001202535404 1031635623 /nfs/dbraw/zinc/63/56/23/1031635623.db2.gz BXJOURSSRSOPAX-INIZCTEOSA-N 2 2 321.449 3.851 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2cc[nH]c21 ZINC001144718297 1031870229 /nfs/dbraw/zinc/87/02/29/1031870229.db2.gz GDCNKCRWBVFWEJ-UHFFFAOYSA-N 2 2 316.408 3.986 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2cc[nH]c21 ZINC001144718297 1031870244 /nfs/dbraw/zinc/87/02/44/1031870244.db2.gz GDCNKCRWBVFWEJ-UHFFFAOYSA-N 2 2 316.408 3.986 20 0 DHADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000361383143 1031898591 /nfs/dbraw/zinc/89/85/91/1031898591.db2.gz ZLJCVMQNGKGVKJ-UWHLTILDSA-N 2 2 321.468 3.562 20 0 DHADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000361383143 1031898601 /nfs/dbraw/zinc/89/86/01/1031898601.db2.gz ZLJCVMQNGKGVKJ-UWHLTILDSA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000361383143 1031898609 /nfs/dbraw/zinc/89/86/09/1031898609.db2.gz ZLJCVMQNGKGVKJ-UWHLTILDSA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000361383143 1031898626 /nfs/dbraw/zinc/89/86/26/1031898626.db2.gz ZLJCVMQNGKGVKJ-UWHLTILDSA-N 2 2 321.468 3.562 20 0 DHADLP COc1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc2ccccc21 ZINC000897980958 1031911565 /nfs/dbraw/zinc/91/15/65/1031911565.db2.gz HJZXSUYGBQNCRL-UHFFFAOYSA-N 2 2 324.468 3.955 20 0 DHADLP COc1ccc2oc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc2c1 ZINC000897982252 1031911675 /nfs/dbraw/zinc/91/16/75/1031911675.db2.gz ZQGVLMFFFPWDGJ-UHFFFAOYSA-N 2 2 314.429 3.548 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172868586 1033408115 /nfs/dbraw/zinc/40/81/15/1033408115.db2.gz IRGLVCPKCXSLNU-TZMCWYRMSA-N 2 2 321.827 3.946 20 0 DHADLP Cc1cn2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)ccc2[nH+]1 ZINC001212695278 1033491664 /nfs/dbraw/zinc/49/16/64/1033491664.db2.gz WUKODYNZTHLKDU-UHFFFAOYSA-N 2 2 303.369 3.631 20 0 DHADLP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152152999 1033506211 /nfs/dbraw/zinc/50/62/11/1033506211.db2.gz NYQTUWBRNHQBNL-KBPBESRZSA-N 2 2 324.428 3.759 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000339023954 1033587711 /nfs/dbraw/zinc/58/77/11/1033587711.db2.gz VJNGXBIHLVXHKV-XLIONFOSSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000339023954 1033587719 /nfs/dbraw/zinc/58/77/19/1033587719.db2.gz VJNGXBIHLVXHKV-XLIONFOSSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000339023954 1033587725 /nfs/dbraw/zinc/58/77/25/1033587725.db2.gz VJNGXBIHLVXHKV-XLIONFOSSA-N 2 2 315.505 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000339023954 1033587738 /nfs/dbraw/zinc/58/77/38/1033587738.db2.gz VJNGXBIHLVXHKV-XLIONFOSSA-N 2 2 315.505 3.684 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC001173265361 1033635920 /nfs/dbraw/zinc/63/59/20/1033635920.db2.gz SRKYMXHHJOQUBX-LPHOPBHVSA-N 2 2 316.489 3.828 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000878345809 1033667000 /nfs/dbraw/zinc/66/70/00/1033667000.db2.gz XMZKEVNYGZYDLW-QAPCUYQASA-N 2 2 311.429 3.625 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)c2cccnc2)cc1 ZINC000924718534 1033699687 /nfs/dbraw/zinc/69/96/87/1033699687.db2.gz ZKAAZSMCMJKLEQ-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP c1csc([C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667482301 1033750437 /nfs/dbraw/zinc/75/04/37/1033750437.db2.gz ZROXGALXMQYDHW-MRXNPFEDSA-N 2 2 310.426 3.666 20 0 DHADLP c1csc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667482301 1033750451 /nfs/dbraw/zinc/75/04/51/1033750451.db2.gz ZROXGALXMQYDHW-MRXNPFEDSA-N 2 2 310.426 3.666 20 0 DHADLP CC(C)[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(F)cc1 ZINC000667503163 1033786059 /nfs/dbraw/zinc/78/60/59/1033786059.db2.gz BGRDMJFPBUTSAO-UHFFFAOYSA-N 2 2 324.403 3.817 20 0 DHADLP CC(C)[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccc(F)cc1 ZINC000667503163 1033786073 /nfs/dbraw/zinc/78/60/73/1033786073.db2.gz BGRDMJFPBUTSAO-UHFFFAOYSA-N 2 2 324.403 3.817 20 0 DHADLP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H](C)c1ccc(F)cc1 ZINC000667534082 1033856354 /nfs/dbraw/zinc/85/63/54/1033856354.db2.gz MFKWBZJJAIAFHV-OAHLLOKOSA-N 2 2 324.403 3.990 20 0 DHADLP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H](C)c1ccc(F)cc1 ZINC000667534082 1033856365 /nfs/dbraw/zinc/85/63/65/1033856365.db2.gz MFKWBZJJAIAFHV-OAHLLOKOSA-N 2 2 324.403 3.990 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924727387 1033891564 /nfs/dbraw/zinc/89/15/64/1033891564.db2.gz ADEIOHNSQKTBHT-CABCVRRESA-N 2 2 318.852 3.623 20 0 DHADLP Cc1cccc(C)c1[N@@H+]1C=C(N)C(=[NH2+])C(c2cccc(F)c2)=C1 ZINC001173874489 1033906854 /nfs/dbraw/zinc/90/68/54/1033906854.db2.gz SKVSVTZQBZQENM-UHFFFAOYSA-N 2 2 307.372 3.962 20 0 DHADLP Cc1cccc(C)c1[N@H+]1C=C(N)C(=[NH2+])C(c2cccc(F)c2)=C1 ZINC001173874489 1033906862 /nfs/dbraw/zinc/90/68/62/1033906862.db2.gz SKVSVTZQBZQENM-UHFFFAOYSA-N 2 2 307.372 3.962 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000480089561 1034055511 /nfs/dbraw/zinc/05/55/11/1034055511.db2.gz SYEYPROVFGQYFC-JSGCOSHPSA-N 2 2 316.367 3.720 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000480089561 1034055526 /nfs/dbraw/zinc/05/55/26/1034055526.db2.gz SYEYPROVFGQYFC-JSGCOSHPSA-N 2 2 316.367 3.720 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000480094595 1034058389 /nfs/dbraw/zinc/05/83/89/1034058389.db2.gz QEOIRTNKHVDFTG-KBPBESRZSA-N 2 2 312.404 3.731 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000480094595 1034058401 /nfs/dbraw/zinc/05/84/01/1034058401.db2.gz QEOIRTNKHVDFTG-KBPBESRZSA-N 2 2 312.404 3.731 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000176915115 1034119660 /nfs/dbraw/zinc/11/96/60/1034119660.db2.gz AOHMUHAPCJPVBQ-XLIONFOSSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000176915115 1034119669 /nfs/dbraw/zinc/11/96/69/1034119669.db2.gz AOHMUHAPCJPVBQ-XLIONFOSSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000176915115 1034119675 /nfs/dbraw/zinc/11/96/75/1034119675.db2.gz AOHMUHAPCJPVBQ-XLIONFOSSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000176915115 1034119686 /nfs/dbraw/zinc/11/96/86/1034119686.db2.gz AOHMUHAPCJPVBQ-XLIONFOSSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000863542349 1034123998 /nfs/dbraw/zinc/12/39/98/1034123998.db2.gz QBHZXICSVFMXMT-ZANVPECISA-N 2 2 314.260 3.511 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000863545568 1034126173 /nfs/dbraw/zinc/12/61/73/1034126173.db2.gz VNVXTPGLQYNESN-NTZNESFSSA-N 2 2 300.418 3.792 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000863545569 1034126706 /nfs/dbraw/zinc/12/67/06/1034126706.db2.gz VNVXTPGLQYNESN-WZRBSPASSA-N 2 2 300.418 3.792 20 0 DHADLP c1cn(Cc2cccc(-c3cccc(C[C@H]4CC[NH2+]C4)c3)c2)c[nH+]1 ZINC000863690089 1034176321 /nfs/dbraw/zinc/17/63/21/1034176321.db2.gz JVUYSEDEHIOZFP-GOSISDBHSA-N 2 2 317.436 3.750 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000880255972 1034267517 /nfs/dbraw/zinc/26/75/17/1034267517.db2.gz BFDWUPAAYRBLES-CQSZACIVSA-N 2 2 319.320 3.911 20 0 DHADLP C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000178552486 1034247346 /nfs/dbraw/zinc/24/73/46/1034247346.db2.gz BHXDXPIJOINXFL-HOTGVXAUSA-N 2 2 321.424 3.776 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000880254982 1034267395 /nfs/dbraw/zinc/26/73/95/1034267395.db2.gz VRFKITJGTYNGPT-UHFFFAOYSA-N 2 2 301.478 3.621 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1nc2c(s1)CCCC2 ZINC000179444539 1034308189 /nfs/dbraw/zinc/30/81/89/1034308189.db2.gz QMTYANHIMFPNMT-CYBMUJFWSA-N 2 2 316.474 3.570 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1nc2c(s1)CCCC2 ZINC000179444530 1034308853 /nfs/dbraw/zinc/30/88/53/1034308853.db2.gz QMTYANHIMFPNMT-ZDUSSCGKSA-N 2 2 316.474 3.570 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[N@@H+]1C ZINC000179590366 1034317324 /nfs/dbraw/zinc/31/73/24/1034317324.db2.gz LDQYJZZHPCKUFA-DFBGVHRSSA-N 2 2 318.358 3.892 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[N@H+]1C ZINC000179590366 1034317340 /nfs/dbraw/zinc/31/73/40/1034317340.db2.gz LDQYJZZHPCKUFA-DFBGVHRSSA-N 2 2 318.358 3.892 20 0 DHADLP CC(C)n1c[nH+]c2cc(Nc3cnc4c(c3)C[N@@H+](C)CC4)ccc21 ZINC001174381510 1034357090 /nfs/dbraw/zinc/35/70/90/1034357090.db2.gz JBUCJWMVWOYLMD-UHFFFAOYSA-N 2 2 321.428 3.744 20 0 DHADLP CC(C)n1c[nH+]c2cc(Nc3cnc4c(c3)C[N@H+](C)CC4)ccc21 ZINC001174381510 1034357104 /nfs/dbraw/zinc/35/71/04/1034357104.db2.gz JBUCJWMVWOYLMD-UHFFFAOYSA-N 2 2 321.428 3.744 20 0 DHADLP COc1cccc2c(NC3CC([NH+]4CCCCC4)C3)cc[nH+]c12 ZINC000480825892 1034467346 /nfs/dbraw/zinc/46/73/46/1034467346.db2.gz SNCIIDISTQSMTN-UHFFFAOYSA-N 2 2 311.429 3.672 20 0 DHADLP c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc(N2CCCC2)[nH+]1 ZINC001174522611 1034481121 /nfs/dbraw/zinc/48/11/21/1034481121.db2.gz OTNPMANBYXJHBC-UHFFFAOYSA-N 2 2 323.444 3.811 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924751742 1034485837 /nfs/dbraw/zinc/48/58/37/1034485837.db2.gz LBRXANLVTHHGOH-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924751742 1034485842 /nfs/dbraw/zinc/48/58/42/1034485842.db2.gz LBRXANLVTHHGOH-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924751749 1034489421 /nfs/dbraw/zinc/48/94/21/1034489421.db2.gz LBRXANLVTHHGOH-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924751749 1034489427 /nfs/dbraw/zinc/48/94/27/1034489427.db2.gz LBRXANLVTHHGOH-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP CCC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccnc1 ZINC000185125145 1034531628 /nfs/dbraw/zinc/53/16/28/1034531628.db2.gz JLNOGLXJBVOBAJ-GOSISDBHSA-N 2 2 306.413 3.898 20 0 DHADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCNc3ccccc32)c[nH+]1 ZINC000186406033 1034627143 /nfs/dbraw/zinc/62/71/43/1034627143.db2.gz HPHQZHNHDVXJBN-LJQANCHMSA-N 2 2 318.424 3.909 20 0 DHADLP Cc1cc(C)cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000065890044 1034877264 /nfs/dbraw/zinc/87/72/64/1034877264.db2.gz URTCWTHJJMTQEO-UHFFFAOYSA-N 2 2 305.425 3.838 20 0 DHADLP COc1cc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC001175504744 1035012816 /nfs/dbraw/zinc/01/28/16/1035012816.db2.gz IBGZACVYWDCSJB-UHFFFAOYSA-N 2 2 309.413 3.600 20 0 DHADLP COc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC001175504744 1035012827 /nfs/dbraw/zinc/01/28/27/1035012827.db2.gz IBGZACVYWDCSJB-UHFFFAOYSA-N 2 2 309.413 3.600 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)c2ccccc12 ZINC000482552021 1035132249 /nfs/dbraw/zinc/13/22/49/1035132249.db2.gz DVPOJGDOXFFTHA-GJZGRUSLSA-N 2 2 312.457 3.982 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)c2ccccc12 ZINC000482552021 1035132251 /nfs/dbraw/zinc/13/22/51/1035132251.db2.gz DVPOJGDOXFFTHA-GJZGRUSLSA-N 2 2 312.457 3.982 20 0 DHADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001204165081 1035173853 /nfs/dbraw/zinc/17/38/53/1035173853.db2.gz NEKQFVRDYXAXHY-UHFFFAOYSA-N 2 2 300.368 3.622 20 0 DHADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001204165081 1035173858 /nfs/dbraw/zinc/17/38/58/1035173858.db2.gz NEKQFVRDYXAXHY-UHFFFAOYSA-N 2 2 300.368 3.622 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176274257 1035232641 /nfs/dbraw/zinc/23/26/41/1035232641.db2.gz SPELNHLPRJHRDM-KGLIPLIRSA-N 2 2 317.383 3.632 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176274257 1035232644 /nfs/dbraw/zinc/23/26/44/1035232644.db2.gz SPELNHLPRJHRDM-KGLIPLIRSA-N 2 2 317.383 3.632 20 0 DHADLP CC[C@H](COC)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000484137038 1035322346 /nfs/dbraw/zinc/32/23/46/1035322346.db2.gz RRMGNOSIDIOLPB-SJLPKXTDSA-N 2 2 304.478 3.665 20 0 DHADLP Cc1[nH+]c2ccc(F)cn2c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749065 1035322628 /nfs/dbraw/zinc/32/26/28/1035322628.db2.gz RQVPLYHBBIQAMJ-UHFFFAOYSA-N 2 2 311.364 3.521 20 0 DHADLP CC[C@@H](COC)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000484137040 1035323109 /nfs/dbraw/zinc/32/31/09/1035323109.db2.gz RRMGNOSIDIOLPB-WMZOPIPTSA-N 2 2 304.478 3.665 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC001177065847 1035346412 /nfs/dbraw/zinc/34/64/12/1035346412.db2.gz GXOBYKRBVNOULH-AWEZNQCLSA-N 2 2 300.368 3.588 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC001177065847 1035346414 /nfs/dbraw/zinc/34/64/14/1035346414.db2.gz GXOBYKRBVNOULH-AWEZNQCLSA-N 2 2 300.368 3.588 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(OCCC(C)C)c1 ZINC000484643385 1035382737 /nfs/dbraw/zinc/38/27/37/1035382737.db2.gz SXIYCZMYGBNOLS-MJGOQNOKSA-N 2 2 318.505 3.992 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(OCCC(C)C)c1 ZINC000484643385 1035382740 /nfs/dbraw/zinc/38/27/40/1035382740.db2.gz SXIYCZMYGBNOLS-MJGOQNOKSA-N 2 2 318.505 3.992 20 0 DHADLP C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001178409447 1035428228 /nfs/dbraw/zinc/42/82/28/1035428228.db2.gz UEUUCAVRHYJQIJ-HNNXBMFYSA-N 2 2 321.428 3.645 20 0 DHADLP CCOc1cccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC001178774238 1035448753 /nfs/dbraw/zinc/44/87/53/1035448753.db2.gz HSKQDXNVEDLNFJ-SFHVURJKSA-N 2 2 304.478 3.685 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001179147701 1035466419 /nfs/dbraw/zinc/46/64/19/1035466419.db2.gz JEKWAGWXYUQORN-YSIASYRMSA-N 2 2 322.537 3.682 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CC(C)C)nc2)C[C@H]1C ZINC001179898516 1035522871 /nfs/dbraw/zinc/52/28/71/1035522871.db2.gz OYGURDTYUXMQSA-VQIMIIECSA-N 2 2 303.494 3.585 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(CC(C)C)nc2)C[C@H]1C ZINC001179898516 1035522860 /nfs/dbraw/zinc/52/28/60/1035522860.db2.gz OYGURDTYUXMQSA-VQIMIIECSA-N 2 2 303.494 3.585 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CC(C)C)nc2)C[C@H]1C ZINC001179898516 1035522879 /nfs/dbraw/zinc/52/28/79/1035522879.db2.gz OYGURDTYUXMQSA-VQIMIIECSA-N 2 2 303.494 3.585 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CC(C)C)nc2)C[C@H]1C ZINC001179898516 1035522889 /nfs/dbraw/zinc/52/28/89/1035522889.db2.gz OYGURDTYUXMQSA-VQIMIIECSA-N 2 2 303.494 3.585 20 0 DHADLP Cc1ccccc1-c1cnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000535265229 1035530390 /nfs/dbraw/zinc/53/03/90/1035530390.db2.gz QMUMZZHGVBHQTJ-UHFFFAOYSA-N 2 2 322.412 3.684 20 0 DHADLP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCOc3ccc(F)cc32)CC1 ZINC001180897839 1035792177 /nfs/dbraw/zinc/79/21/77/1035792177.db2.gz ZONQTCQQLRGAKH-GOSISDBHSA-N 2 2 320.452 3.749 20 0 DHADLP Cc1cc(N2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)cc[nH+]1 ZINC001204287141 1035808646 /nfs/dbraw/zinc/80/86/46/1035808646.db2.gz VSLWFIYPIJTXRJ-UHFFFAOYSA-N 2 2 319.811 3.505 20 0 DHADLP Fc1cccc([C@H]2C[C@H]2[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC001194525378 1035951538 /nfs/dbraw/zinc/95/15/38/1035951538.db2.gz NJYLCAAFWSPEPG-NHCUHLMSSA-N 2 2 324.443 3.936 20 0 DHADLP Clc1csc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000194435976 1036014615 /nfs/dbraw/zinc/01/46/15/1036014615.db2.gz PHXLSKZYVBCLLZ-MLGOLLRUSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000194435976 1036014635 /nfs/dbraw/zinc/01/46/35/1036014635.db2.gz PHXLSKZYVBCLLZ-MLGOLLRUSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000194435976 1036014654 /nfs/dbraw/zinc/01/46/54/1036014654.db2.gz PHXLSKZYVBCLLZ-MLGOLLRUSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000194435976 1036014670 /nfs/dbraw/zinc/01/46/70/1036014670.db2.gz PHXLSKZYVBCLLZ-MLGOLLRUSA-N 2 2 310.894 3.850 20 0 DHADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000494930752 1036122057 /nfs/dbraw/zinc/12/20/57/1036122057.db2.gz PIECUTXIMNHTDC-QGZVFWFLSA-N 2 2 320.452 3.675 20 0 DHADLP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000494930752 1036122060 /nfs/dbraw/zinc/12/20/60/1036122060.db2.gz PIECUTXIMNHTDC-QGZVFWFLSA-N 2 2 320.452 3.675 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000494985914 1036165909 /nfs/dbraw/zinc/16/59/09/1036165909.db2.gz OBXMOMORJFLHNI-RHSMWYFYSA-N 2 2 322.880 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000494985914 1036165923 /nfs/dbraw/zinc/16/59/23/1036165923.db2.gz OBXMOMORJFLHNI-RHSMWYFYSA-N 2 2 322.880 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000494985914 1036165932 /nfs/dbraw/zinc/16/59/32/1036165932.db2.gz OBXMOMORJFLHNI-RHSMWYFYSA-N 2 2 322.880 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000494985914 1036165939 /nfs/dbraw/zinc/16/59/39/1036165939.db2.gz OBXMOMORJFLHNI-RHSMWYFYSA-N 2 2 322.880 3.655 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C/C=C/c3ccncc3)C2)CC1 ZINC000495001023 1036174973 /nfs/dbraw/zinc/17/49/73/1036174973.db2.gz YYEVYDKPLSEFTB-ZFDYTMOGSA-N 2 2 313.489 3.539 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C/C=C/c3ccncc3)C2)CC1 ZINC000495001023 1036174981 /nfs/dbraw/zinc/17/49/81/1036174981.db2.gz YYEVYDKPLSEFTB-ZFDYTMOGSA-N 2 2 313.489 3.539 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CCOCC1)c1ccccc1 ZINC000495058159 1036208342 /nfs/dbraw/zinc/20/83/42/1036208342.db2.gz IFGVYDGBIBCPFA-VXIBKDFQSA-N 2 2 316.489 3.521 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000250387273 1036271354 /nfs/dbraw/zinc/27/13/54/1036271354.db2.gz XRLDKPLOLFVSPW-DOMZBBRYSA-N 2 2 311.267 3.584 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000250387273 1036271373 /nfs/dbraw/zinc/27/13/73/1036271373.db2.gz XRLDKPLOLFVSPW-DOMZBBRYSA-N 2 2 311.267 3.584 20 0 DHADLP [NH3+][C@@H]1CCC[N@H+](Cc2csc(-c3cccc(Cl)c3)n2)CC1 ZINC001205124577 1036379448 /nfs/dbraw/zinc/37/94/48/1036379448.db2.gz VTFJUKNTTYPEDX-CQSZACIVSA-N 2 2 321.877 3.777 20 0 DHADLP [NH3+][C@@H]1CCC[N@@H+](Cc2csc(-c3cccc(Cl)c3)n2)CC1 ZINC001205124577 1036379464 /nfs/dbraw/zinc/37/94/64/1036379464.db2.gz VTFJUKNTTYPEDX-CQSZACIVSA-N 2 2 321.877 3.777 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCO2 ZINC001168371623 1036391578 /nfs/dbraw/zinc/39/15/78/1036391578.db2.gz PMOZZZWQBUEQGR-QGZVFWFLSA-N 2 2 320.864 3.628 20 0 DHADLP C[C@@H]1CCCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000541774940 1036422035 /nfs/dbraw/zinc/42/20/35/1036422035.db2.gz AICSTWYTRDYVCJ-QAPCUYQASA-N 2 2 316.493 3.603 20 0 DHADLP CS[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001183145598 1036525439 /nfs/dbraw/zinc/52/54/39/1036525439.db2.gz KCECJYDCAHNJKY-DKIMLUQUSA-N 2 2 304.503 3.523 20 0 DHADLP CS[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001183145598 1036525453 /nfs/dbraw/zinc/52/54/53/1036525453.db2.gz KCECJYDCAHNJKY-DKIMLUQUSA-N 2 2 304.503 3.523 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC001183179257 1036534657 /nfs/dbraw/zinc/53/46/57/1036534657.db2.gz CVJRIQXIDGVLCU-RTBURBONSA-N 2 2 322.537 3.780 20 0 DHADLP C[C@]1([NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001205263967 1036568237 /nfs/dbraw/zinc/56/82/37/1036568237.db2.gz GOBXQMQHNVAQNF-AWEZNQCLSA-N 2 2 304.331 3.548 20 0 DHADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001205263967 1036568251 /nfs/dbraw/zinc/56/82/51/1036568251.db2.gz GOBXQMQHNVAQNF-AWEZNQCLSA-N 2 2 304.331 3.548 20 0 DHADLP COc1c(Cl)cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1Cl ZINC001205265187 1036581187 /nfs/dbraw/zinc/58/11/87/1036581187.db2.gz OBRQOWUJSFCIIG-OAHLLOKOSA-N 2 2 317.260 3.705 20 0 DHADLP COc1c(Cl)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1Cl ZINC001205265187 1036581202 /nfs/dbraw/zinc/58/12/02/1036581202.db2.gz OBRQOWUJSFCIIG-OAHLLOKOSA-N 2 2 317.260 3.705 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)sc1C ZINC001196936291 1036651833 /nfs/dbraw/zinc/65/18/33/1036651833.db2.gz RFPITHQEGIBYBX-QGZVFWFLSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)sc1C ZINC001196936291 1036651845 /nfs/dbraw/zinc/65/18/45/1036651845.db2.gz RFPITHQEGIBYBX-QGZVFWFLSA-N 2 2 321.534 3.846 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C/C=C/c1ccncc1)C1CC1 ZINC000487574314 1036685373 /nfs/dbraw/zinc/68/53/73/1036685373.db2.gz RTNXLFUBLVTJGN-WKOQKXSESA-N 2 2 321.468 3.595 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C/C=C/c1ccncc1)C1CC1 ZINC000487574314 1036685384 /nfs/dbraw/zinc/68/53/84/1036685384.db2.gz RTNXLFUBLVTJGN-WKOQKXSESA-N 2 2 321.468 3.595 20 0 DHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C/C=C\c1ccncc1 ZINC000487571888 1036686388 /nfs/dbraw/zinc/68/63/88/1036686388.db2.gz KHTTZZHEZOFDOV-YFHOEESVSA-N 2 2 309.457 3.595 20 0 DHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C/C=C\c1ccncc1 ZINC000487571888 1036686394 /nfs/dbraw/zinc/68/63/94/1036686394.db2.gz KHTTZZHEZOFDOV-YFHOEESVSA-N 2 2 309.457 3.595 20 0 DHADLP CC(C)CSCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197263741 1036721396 /nfs/dbraw/zinc/72/13/96/1036721396.db2.gz AJNGHFKPPUXXMY-SFHVURJKSA-N 2 2 317.502 3.993 20 0 DHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001184208259 1036769258 /nfs/dbraw/zinc/76/92/58/1036769258.db2.gz YYFGLRPUMHRNEV-ZCNNSNEGSA-N 2 2 302.506 3.964 20 0 DHADLP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477452 1036787351 /nfs/dbraw/zinc/78/73/51/1036787351.db2.gz YOBBSGITFHIWPI-AEFFLSMTSA-N 2 2 312.457 3.853 20 0 DHADLP C[C@H](Cc1ccco1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477452 1036787364 /nfs/dbraw/zinc/78/73/64/1036787364.db2.gz YOBBSGITFHIWPI-AEFFLSMTSA-N 2 2 312.457 3.853 20 0 DHADLP CSCC[C@@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477725 1036788124 /nfs/dbraw/zinc/78/81/24/1036788124.db2.gz WJPCXVLROVWLPI-NVXWUHKLSA-N 2 2 306.519 3.771 20 0 DHADLP CSCC[C@@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477725 1036788129 /nfs/dbraw/zinc/78/81/29/1036788129.db2.gz WJPCXVLROVWLPI-NVXWUHKLSA-N 2 2 306.519 3.771 20 0 DHADLP CC(C)c1cc(NC[C@@H](C)C[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC001184928110 1036975805 /nfs/dbraw/zinc/97/58/05/1036975805.db2.gz UJXUVMYCICWNJJ-OAHLLOKOSA-N 2 2 304.482 3.867 20 0 DHADLP c1ccc(N2CCC([NH2+]Cc3cccc4ccccc43)CC2)[nH+]c1 ZINC000236747728 1036977079 /nfs/dbraw/zinc/97/70/79/1036977079.db2.gz KZXJXLWCXJVXFZ-UHFFFAOYSA-N 2 2 317.436 3.993 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000237570808 1037017219 /nfs/dbraw/zinc/01/72/19/1037017219.db2.gz LJVSFQAWYOWMBC-QFBILLFUSA-N 2 2 312.432 3.968 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000237570808 1037017232 /nfs/dbraw/zinc/01/72/32/1037017232.db2.gz LJVSFQAWYOWMBC-QFBILLFUSA-N 2 2 312.432 3.968 20 0 DHADLP Cc1cc(F)ccc1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000237625943 1037021123 /nfs/dbraw/zinc/02/11/23/1037021123.db2.gz JBVWNIBQRVTSBD-UHFFFAOYSA-N 2 2 309.388 3.652 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CS1 ZINC000488452781 1037032022 /nfs/dbraw/zinc/03/20/22/1037032022.db2.gz BMJCECRSWLIMPI-RDJZCZTQSA-N 2 2 315.486 3.882 20 0 DHADLP CC(C)SCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790938 1037121815 /nfs/dbraw/zinc/12/18/15/1037121815.db2.gz QEBWGXAMPCDYIV-HNNXBMFYSA-N 2 2 309.523 3.959 20 0 DHADLP CC(C)SCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790938 1037121817 /nfs/dbraw/zinc/12/18/17/1037121817.db2.gz QEBWGXAMPCDYIV-HNNXBMFYSA-N 2 2 309.523 3.959 20 0 DHADLP Cc1ccc(C)c(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000570248998 1037137401 /nfs/dbraw/zinc/13/74/01/1037137401.db2.gz ZGSHLDHHTOMLPF-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP Cc1ccc(C)c(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000570248998 1037137407 /nfs/dbraw/zinc/13/74/07/1037137407.db2.gz ZGSHLDHHTOMLPF-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP CCc1cc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001185746874 1037226861 /nfs/dbraw/zinc/22/68/61/1037226861.db2.gz VZWLZIIYUWWMRN-CRAIPNDOSA-N 2 2 324.472 3.676 20 0 DHADLP CCc1cc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001185746874 1037226889 /nfs/dbraw/zinc/22/68/89/1037226889.db2.gz VZWLZIIYUWWMRN-CRAIPNDOSA-N 2 2 324.472 3.676 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924847321 1037471063 /nfs/dbraw/zinc/47/10/63/1037471063.db2.gz SUEVFKXHACJHBU-QGZVFWFLSA-N 2 2 321.896 3.967 20 0 DHADLP CCOc1cccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000152775968 1037577383 /nfs/dbraw/zinc/57/73/83/1037577383.db2.gz UUUOKEOVUOGRID-HNNXBMFYSA-N 2 2 313.445 3.511 20 0 DHADLP Nc1ccc(Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)c[nH+]1 ZINC001201299643 1037596891 /nfs/dbraw/zinc/59/68/91/1037596891.db2.gz HEYOCFBBTWRSGS-LJQANCHMSA-N 2 2 322.456 3.751 20 0 DHADLP c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)CCCC4)CC2)[nH+]c1 ZINC000490573443 1037739346 /nfs/dbraw/zinc/73/93/46/1037739346.db2.gz UZKKUEBMJSTGSW-UHFFFAOYSA-N 2 2 321.468 3.719 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000185559892 1037818499 /nfs/dbraw/zinc/81/84/99/1037818499.db2.gz MJGLWOOOTYAIKR-CYBMUJFWSA-N 2 2 311.360 3.568 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000125236272 1037925562 /nfs/dbraw/zinc/92/55/62/1037925562.db2.gz JJCAHBPSHUIWMJ-UHFFFAOYSA-N 2 2 318.358 3.761 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000125236272 1037925577 /nfs/dbraw/zinc/92/55/77/1037925577.db2.gz JJCAHBPSHUIWMJ-UHFFFAOYSA-N 2 2 318.358 3.761 20 0 DHADLP CCC(CC)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000154207589 1037991732 /nfs/dbraw/zinc/99/17/32/1037991732.db2.gz JEVBBZCVZKFVMF-UHFFFAOYSA-N 2 2 303.494 3.747 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+]C2CCc3ccccc3CC2)C1 ZINC001202176062 1038084976 /nfs/dbraw/zinc/08/49/76/1038084976.db2.gz JYYFYKLUDCCPLI-UHFFFAOYSA-N 2 2 300.490 3.646 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCc3ccccc3CC2)C1 ZINC001202176062 1038084997 /nfs/dbraw/zinc/08/49/97/1038084997.db2.gz JYYFYKLUDCCPLI-UHFFFAOYSA-N 2 2 300.490 3.646 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccc(-c3ccccc3)s1)CC2 ZINC000494407891 1038088849 /nfs/dbraw/zinc/08/88/49/1038088849.db2.gz BCAFVZSLVVSINV-HNNXBMFYSA-N 2 2 309.438 3.716 20 0 DHADLP c1coc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001203284054 1038160947 /nfs/dbraw/zinc/16/09/47/1038160947.db2.gz QJGGODPRKOLGBS-HXUWFJFHSA-N 2 2 310.441 3.768 20 0 DHADLP c1coc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001203284054 1038160957 /nfs/dbraw/zinc/16/09/57/1038160957.db2.gz QJGGODPRKOLGBS-HXUWFJFHSA-N 2 2 310.441 3.768 20 0 DHADLP c1coc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001203284054 1038160966 /nfs/dbraw/zinc/16/09/66/1038160966.db2.gz QJGGODPRKOLGBS-HXUWFJFHSA-N 2 2 310.441 3.768 20 0 DHADLP c1coc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001203284054 1038160973 /nfs/dbraw/zinc/16/09/73/1038160973.db2.gz QJGGODPRKOLGBS-HXUWFJFHSA-N 2 2 310.441 3.768 20 0 DHADLP C[C@@H](C[NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000127861829 1038216532 /nfs/dbraw/zinc/21/65/32/1038216532.db2.gz KQZCJQDPAPEAEG-HNNXBMFYSA-N 2 2 301.409 3.806 20 0 DHADLP CO[C@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)CC(C)C ZINC001205517953 1038317554 /nfs/dbraw/zinc/31/75/54/1038317554.db2.gz YZQXAMLOJNLFOI-SFHVURJKSA-N 2 2 310.526 3.683 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)n1C ZINC000572735670 1038497302 /nfs/dbraw/zinc/49/73/02/1038497302.db2.gz CTUXBRKPLNTKIJ-UHFFFAOYSA-N 2 2 303.837 3.593 20 0 DHADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000572961547 1038657728 /nfs/dbraw/zinc/65/77/28/1038657728.db2.gz IMPADNLLHZUFAJ-GOSISDBHSA-N 2 2 322.880 3.703 20 0 DHADLP CC(C)Oc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000572961547 1038657732 /nfs/dbraw/zinc/65/77/32/1038657732.db2.gz IMPADNLLHZUFAJ-GOSISDBHSA-N 2 2 322.880 3.703 20 0 DHADLP C[C@@H](c1ccncc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694838 1039134140 /nfs/dbraw/zinc/13/41/40/1039134140.db2.gz JUXCCVPGRSXTCU-RDJZCZTQSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@@H](c1ccncc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694838 1039134145 /nfs/dbraw/zinc/13/41/45/1039134145.db2.gz JUXCCVPGRSXTCU-RDJZCZTQSA-N 2 2 310.445 3.555 20 0 DHADLP C1CC([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCCCC2)C1 ZINC000655779362 1039820783 /nfs/dbraw/zinc/82/07/83/1039820783.db2.gz JOPHOUUBPOLAAX-VQTJNVASSA-N 2 2 320.521 3.578 20 0 DHADLP Oc1ccccc1/C=[NH+]/CC1CC[NH+](Cc2ccccc2)CC1 ZINC000063427698 1040277806 /nfs/dbraw/zinc/27/78/06/1040277806.db2.gz CXNFGAKGIGRPLC-RCCKNPSSSA-N 2 2 308.425 3.723 20 0 DHADLP COc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608069354 1040364101 /nfs/dbraw/zinc/36/41/01/1040364101.db2.gz BXJSYQWIGUGUGK-IBGZPJMESA-N 2 2 321.424 3.502 20 0 DHADLP Clc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608082577 1040367445 /nfs/dbraw/zinc/36/74/45/1040367445.db2.gz GHWZVOHNZQYJAC-CQSZACIVSA-N 2 2 312.804 3.926 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)o1 ZINC000090667221 185308570 /nfs/dbraw/zinc/30/85/70/185308570.db2.gz MNWBFZHFONMWAP-HZPDHXFCSA-N 2 2 313.445 3.859 20 0 DHADLP C[C@@H](c1ccccn1)[NH+](C)CCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091703394 193094048 /nfs/dbraw/zinc/09/40/48/193094048.db2.gz QTFKZTKRNVMQIP-IRXDYDNUSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@@H](c1ccccn1)[NH+](C)CCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091703394 193094049 /nfs/dbraw/zinc/09/40/49/193094049.db2.gz QTFKZTKRNVMQIP-IRXDYDNUSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1N(C)C ZINC000093943013 193331035 /nfs/dbraw/zinc/33/10/35/193331035.db2.gz IHRKRKCYOLIPAH-MRXNPFEDSA-N 2 2 320.440 3.789 20 0 DHADLP CC(C)[NH+]1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000019231095 182109570 /nfs/dbraw/zinc/10/95/70/182109570.db2.gz DOFCYYFXRWVBAY-UHFFFAOYSA-N 2 2 301.261 3.956 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000022935976 182342215 /nfs/dbraw/zinc/34/22/15/182342215.db2.gz UIAHIPSWVPNWIQ-HXUWFJFHSA-N 2 2 324.468 3.840 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000022935976 182342217 /nfs/dbraw/zinc/34/22/17/182342217.db2.gz UIAHIPSWVPNWIQ-HXUWFJFHSA-N 2 2 324.468 3.840 20 0 DHADLP CCc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000272678149 130052913 /nfs/dbraw/zinc/05/29/13/130052913.db2.gz MTZLDPKKDUYUMI-UHFFFAOYSA-N 2 2 320.424 3.817 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000274284096 130223802 /nfs/dbraw/zinc/22/38/02/130223802.db2.gz KNKJDOMNRQXHPN-GJZGRUSLSA-N 2 2 301.434 3.800 20 0 DHADLP Cc1ccc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2n1 ZINC000275739021 130375829 /nfs/dbraw/zinc/37/58/29/130375829.db2.gz QOZJPMABIKAHKB-KRWDZBQOSA-N 2 2 306.413 3.646 20 0 DHADLP Cc1ccc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2n1 ZINC000275739021 130375832 /nfs/dbraw/zinc/37/58/32/130375832.db2.gz QOZJPMABIKAHKB-KRWDZBQOSA-N 2 2 306.413 3.646 20 0 DHADLP COc1cccc2c(N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc[nH+]c12 ZINC000275777644 130384391 /nfs/dbraw/zinc/38/43/91/130384391.db2.gz HQYMAXDDPSLFRV-YOEHRIQHSA-N 2 2 322.412 3.527 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000284184862 131056895 /nfs/dbraw/zinc/05/68/95/131056895.db2.gz RFEUXBFZBSTFSJ-INIZCTEOSA-N 2 2 313.445 3.820 20 0 DHADLP COc1cc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)ccc1OC1CCCC1 ZINC000340196733 131138001 /nfs/dbraw/zinc/13/80/01/131138001.db2.gz HPIAUAKQGJJCJV-CYBMUJFWSA-N 2 2 315.417 3.591 20 0 DHADLP c1c[nH]c([C@H]([NH2+]CCCNc2cccc[nH+]2)C2CCCCC2)n1 ZINC000286036771 131217545 /nfs/dbraw/zinc/21/75/45/131217545.db2.gz KKGLABPODVHVEX-QGZVFWFLSA-N 2 2 313.449 3.518 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000286111694 131220133 /nfs/dbraw/zinc/22/01/33/131220133.db2.gz NQXRILNCISXREL-INIZCTEOSA-N 2 2 301.478 3.695 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc(C)ccn2)cc1F ZINC000286186069 131223870 /nfs/dbraw/zinc/22/38/70/131223870.db2.gz QZLLJUWUOYNNPP-AWEZNQCLSA-N 2 2 324.403 3.874 20 0 DHADLP C[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC000287469745 131282900 /nfs/dbraw/zinc/28/29/00/131282900.db2.gz WHHVXMVXPPOTMK-IUDNXUCKSA-N 2 2 314.395 3.970 20 0 DHADLP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(F)(F)F ZINC000287469745 131282901 /nfs/dbraw/zinc/28/29/01/131282901.db2.gz WHHVXMVXPPOTMK-IUDNXUCKSA-N 2 2 314.395 3.970 20 0 DHADLP C[C@H]1CSC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000287496113 131283100 /nfs/dbraw/zinc/28/31/00/131283100.db2.gz NNZMBLPWIOGDHV-SUMWQHHRSA-N 2 2 324.921 3.646 20 0 DHADLP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000288452848 131325971 /nfs/dbraw/zinc/32/59/71/131325971.db2.gz PMYSDTVTUFQICG-CYBMUJFWSA-N 2 2 303.837 3.666 20 0 DHADLP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000288452848 131325972 /nfs/dbraw/zinc/32/59/72/131325972.db2.gz PMYSDTVTUFQICG-CYBMUJFWSA-N 2 2 303.837 3.666 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@@H](C)c3ccccc32)cn1 ZINC000289244188 131368331 /nfs/dbraw/zinc/36/83/31/131368331.db2.gz NAFITWVOJHTJNC-KUHUBIRLSA-N 2 2 318.424 3.914 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]CCCCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000289452073 131387007 /nfs/dbraw/zinc/38/70/07/131387007.db2.gz UWWFYZFGZQOVCT-CABCVRRESA-N 2 2 300.368 3.754 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]CCCCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000289452073 131387009 /nfs/dbraw/zinc/38/70/09/131387009.db2.gz UWWFYZFGZQOVCT-CABCVRRESA-N 2 2 300.368 3.754 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000289485601 131389889 /nfs/dbraw/zinc/38/98/89/131389889.db2.gz BEJGCIFUIJWVGD-PMACEKPBSA-N 2 2 310.441 3.690 20 0 DHADLP C[C@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H]1c1ccccc1 ZINC000340445913 131782957 /nfs/dbraw/zinc/78/29/57/131782957.db2.gz VSAPVIJXGFQFKQ-TZIWHRDSSA-N 2 2 321.468 3.834 20 0 DHADLP Cc1cccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccn2)c1 ZINC000297289766 132007594 /nfs/dbraw/zinc/00/75/94/132007594.db2.gz AKOQKIQCRKEQBH-NRFANRHFSA-N 2 2 321.468 3.696 20 0 DHADLP c1ccc(Oc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cn2)cc1 ZINC000297312900 132009289 /nfs/dbraw/zinc/00/92/89/132009289.db2.gz BVLLGVZOYDCCFP-UHFFFAOYSA-N 2 2 323.440 3.590 20 0 DHADLP C[C@@H]([NH2+]C1(CN[C@@H]2CCn3cc[nH+]c32)CCCC1)c1ccccc1 ZINC000297769655 132032936 /nfs/dbraw/zinc/03/29/36/132032936.db2.gz PDUBGHVYXQQUOU-SJLPKXTDSA-N 2 2 324.472 3.581 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000340584375 132038081 /nfs/dbraw/zinc/03/80/81/132038081.db2.gz VOOGRAWKUOBERQ-MEBBXXQBSA-N 2 2 310.228 3.856 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000340584373 132038213 /nfs/dbraw/zinc/03/82/13/132038213.db2.gz VOOGRAWKUOBERQ-BMIGLBTASA-N 2 2 310.228 3.856 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000298578457 132068685 /nfs/dbraw/zinc/06/86/85/132068685.db2.gz XOLOVOQAUNVZIN-IBGZPJMESA-N 2 2 308.429 3.671 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000298578457 132068687 /nfs/dbraw/zinc/06/86/87/132068687.db2.gz XOLOVOQAUNVZIN-IBGZPJMESA-N 2 2 308.429 3.671 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccccc1OC(F)F ZINC000163815167 132124308 /nfs/dbraw/zinc/12/43/08/132124308.db2.gz KAWSJFDNZOEXCI-CYBMUJFWSA-N 2 2 321.371 3.836 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc2c(s1)CCC2 ZINC000163828640 132124882 /nfs/dbraw/zinc/12/48/82/132124882.db2.gz CIUPRKNOZMITDG-ZDUSSCGKSA-N 2 2 301.459 3.785 20 0 DHADLP Fc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000120956264 132147325 /nfs/dbraw/zinc/14/73/25/132147325.db2.gz XROJXOZKXGZLGC-MRXNPFEDSA-N 2 2 302.437 3.736 20 0 DHADLP Fc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000122551325 132165801 /nfs/dbraw/zinc/16/58/01/132165801.db2.gz XVBHNXYFMAAVHR-UHFFFAOYSA-N 2 2 319.811 3.633 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468549718 335071710 /nfs/dbraw/zinc/07/17/10/335071710.db2.gz WRGDBCBJAZLEFI-LNLFQRSKSA-N 2 2 318.505 3.690 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468549718 335071711 /nfs/dbraw/zinc/07/17/11/335071711.db2.gz WRGDBCBJAZLEFI-LNLFQRSKSA-N 2 2 318.505 3.690 20 0 DHADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000343321706 335079641 /nfs/dbraw/zinc/07/96/41/335079641.db2.gz OMBHYYQUQJREML-MSOLQXFVSA-N 2 2 319.493 3.723 20 0 DHADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000343321706 335079642 /nfs/dbraw/zinc/07/96/42/335079642.db2.gz OMBHYYQUQJREML-MSOLQXFVSA-N 2 2 319.493 3.723 20 0 DHADLP C[C@@H]1C[NH+](CCCCNc2[nH+]ccc3ccccc32)C[C@@H](C)O1 ZINC000527916610 429820092 /nfs/dbraw/zinc/82/00/92/429820092.db2.gz JCUNGYCSWJOAOF-HZPDHXFCSA-N 2 2 313.445 3.536 20 0 DHADLP Cc1cc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc(C)c1O ZINC000391745966 335087967 /nfs/dbraw/zinc/08/79/67/335087967.db2.gz VPZLFBNQHNZKIC-HXUWFJFHSA-N 2 2 324.468 3.936 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccsc1Cl ZINC000312550719 331642224 /nfs/dbraw/zinc/64/22/24/331642224.db2.gz DDTYUOGBJMDIOA-UHFFFAOYSA-N 2 2 305.834 3.849 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000222911441 331887944 /nfs/dbraw/zinc/88/79/44/331887944.db2.gz SFXRBYQGYOCIFB-GHMZBOCLSA-N 2 2 317.246 3.579 20 0 DHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000449217647 331959980 /nfs/dbraw/zinc/95/99/80/331959980.db2.gz ARUPMTZFQCQDFS-UHFFFAOYSA-N 3 2 323.569 3.741 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000090251134 331990564 /nfs/dbraw/zinc/99/05/64/331990564.db2.gz GFOSGHVAKHAWHO-JTQLQIEISA-N 2 2 319.674 3.532 20 0 DHADLP C([C@H]1CCC2(CCCCC2)O1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000409447909 332033092 /nfs/dbraw/zinc/03/30/92/332033092.db2.gz JQVIYIGKZJLXDJ-LJQANCHMSA-N 2 2 320.521 3.819 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000426298211 332037102 /nfs/dbraw/zinc/03/71/02/332037102.db2.gz JGKITAUAMFJRFI-LERXQTSPSA-N 2 2 310.894 3.851 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000426298211 332037104 /nfs/dbraw/zinc/03/71/04/332037104.db2.gz JGKITAUAMFJRFI-LERXQTSPSA-N 2 2 310.894 3.851 20 0 DHADLP COc1ccc(C[NH+](C)C)cc1NCCCc1c[nH+]ccc1C ZINC000569391248 332074207 /nfs/dbraw/zinc/07/42/07/332074207.db2.gz GVNYSQLJYQODSP-UHFFFAOYSA-N 2 2 313.445 3.505 20 0 DHADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000091670066 332109870 /nfs/dbraw/zinc/10/98/70/332109870.db2.gz FDDJCXBTZMCIHT-UHFFFAOYSA-N 2 2 320.383 3.751 20 0 DHADLP C[C@H]1CCC[C@H](C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000092560727 332133944 /nfs/dbraw/zinc/13/39/44/332133944.db2.gz HHISGRMQOFWPHG-HKUYNNGSSA-N 2 2 311.473 3.890 20 0 DHADLP Clc1cccc(Cl)c1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427100837 332167526 /nfs/dbraw/zinc/16/75/26/332167526.db2.gz OIQWGZAUHZYGIH-WBMJQRKESA-N 2 2 313.272 3.610 20 0 DHADLP Clc1cccc(Cl)c1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427100837 332167527 /nfs/dbraw/zinc/16/75/27/332167527.db2.gz OIQWGZAUHZYGIH-WBMJQRKESA-N 2 2 313.272 3.610 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427111660 332168734 /nfs/dbraw/zinc/16/87/34/332168734.db2.gz UGYDTERUNIVFTQ-QUCCMNQESA-N 2 2 322.452 3.546 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427111660 332168736 /nfs/dbraw/zinc/16/87/36/332168736.db2.gz UGYDTERUNIVFTQ-QUCCMNQESA-N 2 2 322.452 3.546 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@H](C)C1 ZINC000448026885 332195552 /nfs/dbraw/zinc/19/55/52/332195552.db2.gz KHKDMXCPKBGTFR-RDTXWAMCSA-N 2 2 316.420 3.906 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@H](C)C1 ZINC000448026885 332195553 /nfs/dbraw/zinc/19/55/53/332195553.db2.gz KHKDMXCPKBGTFR-RDTXWAMCSA-N 2 2 316.420 3.906 20 0 DHADLP Cc1ccc(C2CC[NH+]([C@H](C)c3nc(C(C)C)no3)CC2)c[nH+]1 ZINC000363671237 332216912 /nfs/dbraw/zinc/21/69/12/332216912.db2.gz JGWHHCSAUAXEKI-CQSZACIVSA-N 2 2 314.433 3.837 20 0 DHADLP Cc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(C)s1 ZINC000536371992 332233643 /nfs/dbraw/zinc/23/36/43/332233643.db2.gz YWUHYRQPIXYDHC-UHFFFAOYSA-N 2 2 301.459 3.836 20 0 DHADLP c1ccc(SCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536372760 332233770 /nfs/dbraw/zinc/23/37/70/332233770.db2.gz ZLFRILVWDABXTE-UHFFFAOYSA-N 2 2 313.470 3.750 20 0 DHADLP CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000363783097 332246929 /nfs/dbraw/zinc/24/69/29/332246929.db2.gz MLRPVSUGAJWEIM-SFHVURJKSA-N 2 2 310.445 3.576 20 0 DHADLP CCC(CC)(C[NH2+][C@@H](C)c1cn[nH]c1)[NH2+][C@H](C)c1ccccc1 ZINC000556233917 332267038 /nfs/dbraw/zinc/26/70/38/332267038.db2.gz LUCPUFJOFXKIMS-JKSUJKDBSA-N 2 2 314.477 3.970 20 0 DHADLP FC(F)(F)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000560070211 332308717 /nfs/dbraw/zinc/30/87/17/332308717.db2.gz FKVWTRHANYXEQT-UHFFFAOYSA-N 2 2 315.364 3.590 20 0 DHADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560266671 332325454 /nfs/dbraw/zinc/32/54/54/332325454.db2.gz ZUIUGEDFRGPDQS-SFHVURJKSA-N 2 2 315.436 3.715 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000560264993 332326312 /nfs/dbraw/zinc/32/63/12/332326312.db2.gz LNQXCEKLYCFOAZ-FOIQADDNSA-N 2 2 314.473 3.580 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000560264993 332326313 /nfs/dbraw/zinc/32/63/13/332326313.db2.gz LNQXCEKLYCFOAZ-FOIQADDNSA-N 2 2 314.473 3.580 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2cc(Cl)ccc2o1 ZINC000427875525 332552161 /nfs/dbraw/zinc/55/21/61/332552161.db2.gz KDGYGCVILRCORR-FZMZJTMJSA-N 2 2 315.804 3.948 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1c3ccccc3-c3ccccc31)CC2 ZINC000427875764 332552313 /nfs/dbraw/zinc/55/23/13/332552313.db2.gz UHNKBXAWJDVRPV-CQSZACIVSA-N 2 2 301.393 3.558 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1nc(-c2ccccc2)cs1 ZINC000427880241 332553205 /nfs/dbraw/zinc/55/32/05/332553205.db2.gz ZZACGOULOQQDSB-UKRRQHHQSA-N 2 2 324.453 3.672 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cccc(F)c1F ZINC000181995812 333036230 /nfs/dbraw/zinc/03/62/30/333036230.db2.gz LAPNAGYWHMJFJJ-GFCCVEGCSA-N 2 2 315.367 3.974 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(OC)CC1)c1ccccc1 ZINC000182487434 333040965 /nfs/dbraw/zinc/04/09/65/333040965.db2.gz LACWXGUXEHSFQM-CTWPCTMYSA-N 2 2 304.478 3.617 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000171976031 333056695 /nfs/dbraw/zinc/05/66/95/333056695.db2.gz MWNIVMHODVHZJY-INIZCTEOSA-N 2 2 309.457 3.569 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000171976031 333056696 /nfs/dbraw/zinc/05/66/96/333056696.db2.gz MWNIVMHODVHZJY-INIZCTEOSA-N 2 2 309.457 3.569 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+]Cc1ccccc1)c1cccc(OC)c1 ZINC000518771795 333081820 /nfs/dbraw/zinc/08/18/20/333081820.db2.gz DEWSWNYYMFJJPC-FQEVSTJZSA-N 2 2 312.457 3.868 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC[C@@H]([NH+]4CCCC4)C3)[nH+]c2c1 ZINC000460957896 333105385 /nfs/dbraw/zinc/10/53/85/333105385.db2.gz AOQLZNNPADTVFY-QGZVFWFLSA-N 2 2 309.457 3.916 20 0 DHADLP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000366822718 335122254 /nfs/dbraw/zinc/12/22/54/335122254.db2.gz JJCWAUDAYUPLQP-ZCNNSNEGSA-N 2 2 315.505 3.852 20 0 DHADLP CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000366822718 335122255 /nfs/dbraw/zinc/12/22/55/335122255.db2.gz JJCWAUDAYUPLQP-ZCNNSNEGSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccn2)c1 ZINC000179534239 333152148 /nfs/dbraw/zinc/15/21/48/333152148.db2.gz VPDBRDQZCZSRRZ-POAQFYNOSA-N 2 2 309.457 3.552 20 0 DHADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccn2)c1 ZINC000179534239 333152150 /nfs/dbraw/zinc/15/21/50/333152150.db2.gz VPDBRDQZCZSRRZ-POAQFYNOSA-N 2 2 309.457 3.552 20 0 DHADLP CC(C)(C)c1csc(C[N@H+](CCC[NH3+])Cc2ccccc2)n1 ZINC000309774449 333196073 /nfs/dbraw/zinc/19/60/73/333196073.db2.gz XGSYXOOUFCGMBW-UHFFFAOYSA-N 2 2 317.502 3.792 20 0 DHADLP CC(C)(C)c1csc(C[N@@H+](CCC[NH3+])Cc2ccccc2)n1 ZINC000309774449 333196075 /nfs/dbraw/zinc/19/60/75/333196075.db2.gz XGSYXOOUFCGMBW-UHFFFAOYSA-N 2 2 317.502 3.792 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CC[NH3+])cs2)cc1 ZINC000261926303 333200803 /nfs/dbraw/zinc/20/08/03/333200803.db2.gz IOZYXGLOFDWZRA-KRWDZBQOSA-N 2 2 315.486 3.822 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CC[NH3+])cs2)cc1 ZINC000261926303 333200806 /nfs/dbraw/zinc/20/08/06/333200806.db2.gz IOZYXGLOFDWZRA-KRWDZBQOSA-N 2 2 315.486 3.822 20 0 DHADLP CCCOc1cccc2c(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc[nH+]c12 ZINC000497260931 333229147 /nfs/dbraw/zinc/22/91/47/333229147.db2.gz KNOKMXRWIUOTTK-LSDHHAIUSA-N 2 2 313.445 3.918 20 0 DHADLP CCCOc1cccc2c(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc[nH+]c12 ZINC000497260931 333229149 /nfs/dbraw/zinc/22/91/49/333229149.db2.gz KNOKMXRWIUOTTK-LSDHHAIUSA-N 2 2 313.445 3.918 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000120493003 333285367 /nfs/dbraw/zinc/28/53/67/333285367.db2.gz FROPWGIHROGETB-LBPRGKRZSA-N 2 2 313.323 3.523 20 0 DHADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1OC(F)F ZINC000525783747 333309704 /nfs/dbraw/zinc/30/97/04/333309704.db2.gz FJGPMKSHGDEOLP-HNNXBMFYSA-N 2 2 312.404 3.594 20 0 DHADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1OC(F)F ZINC000525783747 333309705 /nfs/dbraw/zinc/30/97/05/333309705.db2.gz FJGPMKSHGDEOLP-HNNXBMFYSA-N 2 2 312.404 3.594 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1OC(F)F ZINC000525783747 333309706 /nfs/dbraw/zinc/30/97/06/333309706.db2.gz FJGPMKSHGDEOLP-HNNXBMFYSA-N 2 2 312.404 3.594 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1OC(F)F ZINC000525783747 333309707 /nfs/dbraw/zinc/30/97/07/333309707.db2.gz FJGPMKSHGDEOLP-HNNXBMFYSA-N 2 2 312.404 3.594 20 0 DHADLP C[C@H](C[NH2+]CC1=Cc2ccccc2OC1)[N@H+](C)Cc1ccccc1 ZINC000111389293 333329351 /nfs/dbraw/zinc/32/93/51/333329351.db2.gz QROYYHRBGGMHDH-QGZVFWFLSA-N 2 2 322.452 3.573 20 0 DHADLP C[C@H](C[NH2+]CC1=Cc2ccccc2OC1)[N@@H+](C)Cc1ccccc1 ZINC000111389293 333329352 /nfs/dbraw/zinc/32/93/52/333329352.db2.gz QROYYHRBGGMHDH-QGZVFWFLSA-N 2 2 322.452 3.573 20 0 DHADLP CCc1nc(C[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)cs1 ZINC000531430280 333351779 /nfs/dbraw/zinc/35/17/79/333351779.db2.gz XQFBDCHWYPHNCW-HOCLYGCPSA-N 2 2 309.523 3.696 20 0 DHADLP CSCCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000185165739 333369182 /nfs/dbraw/zinc/36/91/82/333369182.db2.gz OKHJAUZDDYKVJD-SJLPKXTDSA-N 2 2 306.519 3.772 20 0 DHADLP CSCCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000185165739 333369184 /nfs/dbraw/zinc/36/91/84/333369184.db2.gz OKHJAUZDDYKVJD-SJLPKXTDSA-N 2 2 306.519 3.772 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CS1 ZINC000488520447 333382172 /nfs/dbraw/zinc/38/21/72/333382172.db2.gz VRPWMTTZHJDZJY-LEUOFYLZSA-N 2 2 306.519 3.798 20 0 DHADLP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000121407871 333386378 /nfs/dbraw/zinc/38/63/78/333386378.db2.gz OPHFRAVQQXIIPA-HNAYVOBHSA-N 2 2 319.408 3.527 20 0 DHADLP C[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000366240827 333507065 /nfs/dbraw/zinc/50/70/65/333507065.db2.gz QPQLIXJVZJDYAG-ZDUSSCGKSA-N 2 2 312.804 3.772 20 0 DHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414124752 333898771 /nfs/dbraw/zinc/89/87/71/333898771.db2.gz LJTKXRUYDZXEQS-OAHLLOKOSA-N 2 2 324.472 3.790 20 0 DHADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc2cc(OC)ccc2c1 ZINC000414140056 333901881 /nfs/dbraw/zinc/90/18/81/333901881.db2.gz IQQZXIMNGSMFBM-HXUWFJFHSA-N 2 2 323.440 3.865 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2)c1 ZINC000414121651 333906814 /nfs/dbraw/zinc/90/68/14/333906814.db2.gz HNZMFOADYPNNBP-NRFANRHFSA-N 2 2 319.452 3.926 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414330984 333941451 /nfs/dbraw/zinc/94/14/51/333941451.db2.gz JSJYNDUPESFHMP-MRXNPFEDSA-N 2 2 320.440 3.896 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000271368606 334021726 /nfs/dbraw/zinc/02/17/26/334021726.db2.gz GOHWCEGJILDBCY-WBVHZDCISA-N 2 2 315.486 3.939 20 0 DHADLP CC[C@H](c1nc([C@@H]([NH3+])CC(C)C)no1)[N@H+](C)Cc1ccccc1 ZINC000414611761 334040751 /nfs/dbraw/zinc/04/07/51/334040751.db2.gz CSCDIPGQPTTZMU-JKSUJKDBSA-N 2 2 316.449 3.699 20 0 DHADLP CC[C@H](c1nc([C@@H]([NH3+])CC(C)C)no1)[N@@H+](C)Cc1ccccc1 ZINC000414611761 334040752 /nfs/dbraw/zinc/04/07/52/334040752.db2.gz CSCDIPGQPTTZMU-JKSUJKDBSA-N 2 2 316.449 3.699 20 0 DHADLP CC[C@@H](c1nc([C@H]([NH3+])CC(C)C)no1)[N@H+](C)Cc1ccccc1 ZINC000414611755 334040819 /nfs/dbraw/zinc/04/08/19/334040819.db2.gz CSCDIPGQPTTZMU-CVEARBPZSA-N 2 2 316.449 3.699 20 0 DHADLP CC[C@@H](c1nc([C@H]([NH3+])CC(C)C)no1)[N@@H+](C)Cc1ccccc1 ZINC000414611755 334040821 /nfs/dbraw/zinc/04/08/21/334040821.db2.gz CSCDIPGQPTTZMU-CVEARBPZSA-N 2 2 316.449 3.699 20 0 DHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc(Cl)cc21 ZINC000343534286 335175909 /nfs/dbraw/zinc/17/59/09/335175909.db2.gz IOHPDQBQOCZQNM-WMZOPIPTSA-N 2 2 315.848 3.997 20 0 DHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCc2ccc(Cl)cc21 ZINC000343534286 335175910 /nfs/dbraw/zinc/17/59/10/335175910.db2.gz IOHPDQBQOCZQNM-WMZOPIPTSA-N 2 2 315.848 3.997 20 0 DHADLP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000343553898 335171942 /nfs/dbraw/zinc/17/19/42/335171942.db2.gz DOBIKAGYHZORSN-AEFFLSMTSA-N 2 2 301.478 3.604 20 0 DHADLP CCC([NH3+])(CC)C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000414810899 334105586 /nfs/dbraw/zinc/10/55/86/334105586.db2.gz YEFMSDIRYPBELI-UHFFFAOYSA-N 2 2 307.438 3.556 20 0 DHADLP COCc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414820810 334108310 /nfs/dbraw/zinc/10/83/10/334108310.db2.gz BGPUFIWRTAUJEJ-HXUWFJFHSA-N 2 2 312.457 3.746 20 0 DHADLP [NH3+][C@H](C[NH2+]Cc1cnc(C2CCCC2)s1)c1ccccc1 ZINC000414827837 334109755 /nfs/dbraw/zinc/10/97/55/334109755.db2.gz HWQTZDJMGNQIHF-MRXNPFEDSA-N 2 2 301.459 3.590 20 0 DHADLP [NH3+]C[C@@H]([NH2+]Cc1sccc1Br)C1CCCCC1 ZINC000414841026 334112620 /nfs/dbraw/zinc/11/26/20/334112620.db2.gz MXEIWOORKMQPIY-GFCCVEGCSA-N 2 2 317.296 3.508 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC000414841235 334112942 /nfs/dbraw/zinc/11/29/42/334112942.db2.gz HMFWPWGEAFSIFH-IPMKNSEASA-N 2 2 304.478 3.603 20 0 DHADLP [NH3+]C1(C[NH2+]Cc2csc(-c3cccs3)n2)CCCCC1 ZINC000414846033 334117338 /nfs/dbraw/zinc/11/73/38/334117338.db2.gz RXYADLDDRTVALA-UHFFFAOYSA-N 2 2 307.488 3.623 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC000343608392 335177122 /nfs/dbraw/zinc/17/71/22/335177122.db2.gz KZMXSJSRDYYJJC-QGZVFWFLSA-N 2 2 301.821 3.861 20 0 DHADLP COCC(C)(C)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000286847349 334154734 /nfs/dbraw/zinc/15/47/34/334154734.db2.gz AEFOBYHUJWUNOT-MRXNPFEDSA-N 2 2 315.461 3.976 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000414932590 334195578 /nfs/dbraw/zinc/19/55/78/334195578.db2.gz CWGQVIHRNXCMEQ-ZCNNSNEGSA-N 2 2 312.457 3.633 20 0 DHADLP Clc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415082891 334272118 /nfs/dbraw/zinc/27/21/18/334272118.db2.gz PAELCMKYUCORLT-SJLPKXTDSA-N 2 2 300.833 3.923 20 0 DHADLP C[C@H](CCc1ccsc1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414952012 334206959 /nfs/dbraw/zinc/20/69/59/334206959.db2.gz HRCXGNJQVXLVIW-KDOFPFPSSA-N 2 2 300.471 3.546 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[NH2+]1 ZINC000414957717 334210074 /nfs/dbraw/zinc/21/00/74/334210074.db2.gz WIRYULFKXRUUSB-CABZTGNLSA-N 2 2 306.759 3.589 20 0 DHADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000414970142 334216572 /nfs/dbraw/zinc/21/65/72/334216572.db2.gz KANJQDISYYPDNZ-NSHDSACASA-N 2 2 305.224 3.610 20 0 DHADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415087246 334275715 /nfs/dbraw/zinc/27/57/15/334275715.db2.gz SQGLQMCYCGXRAM-KCPJHIHWSA-N 2 2 318.358 3.939 20 0 DHADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000415050056 334259104 /nfs/dbraw/zinc/25/91/04/334259104.db2.gz IEJPTMCXPMFZFM-AWEZNQCLSA-N 2 2 323.893 3.927 20 0 DHADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000415042630 334261020 /nfs/dbraw/zinc/26/10/20/334261020.db2.gz QSVCYEZVLAQLRN-LBPRGKRZSA-N 2 2 306.759 3.589 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cs2)cc1 ZINC000415056206 334261645 /nfs/dbraw/zinc/26/16/45/334261645.db2.gz PMOIOCZDRWBBKU-HNNXBMFYSA-N 2 2 303.475 3.582 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000415061325 334261893 /nfs/dbraw/zinc/26/18/93/334261893.db2.gz CJIFIIHUSLJNJL-WFASDCNBSA-N 2 2 302.384 3.960 20 0 DHADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415059897 334262152 /nfs/dbraw/zinc/26/21/52/334262152.db2.gz XUCVHYOFLORUHN-RBUKOAKNSA-N 2 2 306.409 3.586 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000415064123 334262385 /nfs/dbraw/zinc/26/23/85/334262385.db2.gz JVBYARWUDRRWRL-QGZVFWFLSA-N 2 2 318.848 3.701 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000415063246 334262459 /nfs/dbraw/zinc/26/24/59/334262459.db2.gz HKSGTNCOVAOGHV-OAQYLSRUSA-N 2 2 323.484 3.507 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415075800 334266994 /nfs/dbraw/zinc/26/69/94/334266994.db2.gz AHWWWLITJXTAIY-VDZJLULYSA-N 2 2 310.441 3.839 20 0 DHADLP CCCC[C@@H](CC)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415126927 334283674 /nfs/dbraw/zinc/28/36/74/334283674.db2.gz HIFLRTLHFOKKBM-LJQANCHMSA-N 3 2 317.521 3.538 20 0 DHADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1)[NH+](C)C ZINC000443007375 338441777 /nfs/dbraw/zinc/44/17/77/338441777.db2.gz NSLXNJHQXZPIHM-CUDHKJQZSA-N 2 2 318.505 3.779 20 0 DHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000531956534 334308154 /nfs/dbraw/zinc/30/81/54/334308154.db2.gz RWFAZIDZKPEMJY-SFHVURJKSA-N 2 2 313.445 3.784 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CCSC1 ZINC000534971761 334350974 /nfs/dbraw/zinc/35/09/74/334350974.db2.gz HQEJKFRMQOGBMZ-IRXDYDNUSA-N 2 2 324.921 3.744 20 0 DHADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CCSC1 ZINC000534971745 334351023 /nfs/dbraw/zinc/35/10/23/334351023.db2.gz HQEJKFRMQOGBMZ-DLBZAZTESA-N 2 2 324.921 3.744 20 0 DHADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CCSC1 ZINC000534971760 334351081 /nfs/dbraw/zinc/35/10/81/334351081.db2.gz HQEJKFRMQOGBMZ-IAGOWNOFSA-N 2 2 324.921 3.744 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000531984725 334358106 /nfs/dbraw/zinc/35/81/06/334358106.db2.gz UOABFVYSJOOMTL-RBSFLKMASA-N 2 2 317.502 3.720 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000531984725 334358107 /nfs/dbraw/zinc/35/81/07/334358107.db2.gz UOABFVYSJOOMTL-RBSFLKMASA-N 2 2 317.502 3.720 20 0 DHADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000531983711 334358309 /nfs/dbraw/zinc/35/83/09/334358309.db2.gz WVFAOGPVFUIPAZ-BBRMVZONSA-N 2 2 312.404 3.671 20 0 DHADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000531983711 334358311 /nfs/dbraw/zinc/35/83/11/334358311.db2.gz WVFAOGPVFUIPAZ-BBRMVZONSA-N 2 2 312.404 3.671 20 0 DHADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000531989842 334365405 /nfs/dbraw/zinc/36/54/05/334365405.db2.gz JANGOYIVASDXTP-VLIAUNLRSA-N 2 2 323.415 3.929 20 0 DHADLP C[C@@H](C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+](C)C ZINC000425945501 334787993 /nfs/dbraw/zinc/78/79/93/334787993.db2.gz RDEOQLZSUXHCCB-AWEZNQCLSA-N 2 2 318.411 3.842 20 0 DHADLP CS[C@@H]1CC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000425339735 334801862 /nfs/dbraw/zinc/80/18/62/334801862.db2.gz CWPKDAUZZRSFAH-KZNAEPCWSA-N 2 2 315.486 3.725 20 0 DHADLP Cc1[nH+]cc(C[NH2+]Cc2cc3ccccc3[nH]2)n1-c1ccccc1 ZINC000343852240 335197290 /nfs/dbraw/zinc/19/72/90/335197290.db2.gz MMQOVWHCVFTKGD-UHFFFAOYSA-N 2 2 316.408 3.952 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000343924003 335202407 /nfs/dbraw/zinc/20/24/07/335202407.db2.gz JTDDILFFYZWLSN-JYJNAYRXSA-N 2 2 322.518 3.558 20 0 DHADLP CCC1(CC)[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C[C@@H]1OC ZINC000344055325 335213804 /nfs/dbraw/zinc/21/38/04/335213804.db2.gz LDYAGWILDMRQMV-ROUUACIJSA-N 2 2 313.445 3.556 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000344166152 335226686 /nfs/dbraw/zinc/22/66/86/335226686.db2.gz JTORJQYJGLCUMQ-JCGIZDLHSA-N 2 2 313.445 3.727 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000344309359 335239542 /nfs/dbraw/zinc/23/95/42/335239542.db2.gz UGUYLLYKLXDLIW-BBRMVZONSA-N 2 2 319.474 3.617 20 0 DHADLP Cc1ccoc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000344522841 335255081 /nfs/dbraw/zinc/25/50/81/335255081.db2.gz ICQWCTHPCSPSOI-YOEHRIQHSA-N 2 2 304.459 3.822 20 0 DHADLP Cc1ccoc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000344522841 335255082 /nfs/dbraw/zinc/25/50/82/335255082.db2.gz ICQWCTHPCSPSOI-YOEHRIQHSA-N 2 2 304.459 3.822 20 0 DHADLP CC[C@@]1(C)CC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346192131 335388507 /nfs/dbraw/zinc/38/85/07/335388507.db2.gz DCTBKPBZZVMUSM-KRWDZBQOSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@@]1(C)CC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346192131 335388508 /nfs/dbraw/zinc/38/85/08/335388508.db2.gz DCTBKPBZZVMUSM-KRWDZBQOSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@@]1(C)CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000346192131 335388509 /nfs/dbraw/zinc/38/85/09/335388509.db2.gz DCTBKPBZZVMUSM-KRWDZBQOSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@@]1(C)CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000346192131 335388510 /nfs/dbraw/zinc/38/85/10/335388510.db2.gz DCTBKPBZZVMUSM-KRWDZBQOSA-N 2 2 307.507 3.532 20 0 DHADLP Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCn2cc[nH+]c2C)CC1 ZINC000346273735 335391407 /nfs/dbraw/zinc/39/14/07/335391407.db2.gz HUGQLVQSUBWYHT-UHFFFAOYSA-N 2 2 320.440 3.771 20 0 DHADLP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCn2cc[nH+]c2C)CC1 ZINC000346273735 335391408 /nfs/dbraw/zinc/39/14/08/335391408.db2.gz HUGQLVQSUBWYHT-UHFFFAOYSA-N 2 2 320.440 3.771 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000346281272 335392128 /nfs/dbraw/zinc/39/21/28/335392128.db2.gz STWFSJUEPTVUEL-UHFFFAOYSA-N 2 2 310.228 3.557 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000346281272 335392129 /nfs/dbraw/zinc/39/21/29/335392129.db2.gz STWFSJUEPTVUEL-UHFFFAOYSA-N 2 2 310.228 3.557 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000346305407 335398210 /nfs/dbraw/zinc/39/82/10/335398210.db2.gz HZYKTNHAPHAYFO-UHFFFAOYSA-N 2 2 320.440 3.597 20 0 DHADLP Cc1ccccc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346306586 335398375 /nfs/dbraw/zinc/39/83/75/335398375.db2.gz JDHGGUAZAGZORO-UHFFFAOYSA-N 2 2 305.425 3.894 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000346623659 335424530 /nfs/dbraw/zinc/42/45/30/335424530.db2.gz ALNBUKFGIXHYJY-FQEVSTJZSA-N 2 2 321.399 3.846 20 0 DHADLP c1cn(-c2cccc(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)c2)c[nH+]1 ZINC000348264214 335569169 /nfs/dbraw/zinc/56/91/69/335569169.db2.gz MYKDNMALXILKQB-QUCCMNQESA-N 2 2 303.409 3.766 20 0 DHADLP C[NH+](C)Cc1cnc(CNc2ccc(-c3ccccc3)c[nH+]2)s1 ZINC000351550221 336042835 /nfs/dbraw/zinc/04/28/35/336042835.db2.gz IXWHAPHNDDEFIQ-UHFFFAOYSA-N 2 2 324.453 3.879 20 0 DHADLP CCc1cc(OC)ccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351569111 336045577 /nfs/dbraw/zinc/04/55/77/336045577.db2.gz RCOCLRUCTBTDNN-UHFFFAOYSA-N 2 2 322.412 3.510 20 0 DHADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(OC(C)(C)C)n1 ZINC000351684112 336058032 /nfs/dbraw/zinc/05/80/32/336058032.db2.gz FIYXMRJFRFNKIX-KRWDZBQOSA-N 2 2 319.493 3.565 20 0 DHADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(OC(C)(C)C)n1 ZINC000351684112 336058034 /nfs/dbraw/zinc/05/80/34/336058034.db2.gz FIYXMRJFRFNKIX-KRWDZBQOSA-N 2 2 319.493 3.565 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(OC(C)(C)C)n1 ZINC000351684112 336058036 /nfs/dbraw/zinc/05/80/36/336058036.db2.gz FIYXMRJFRFNKIX-KRWDZBQOSA-N 2 2 319.493 3.565 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(OC(C)(C)C)n1 ZINC000351684112 336058038 /nfs/dbraw/zinc/05/80/38/336058038.db2.gz FIYXMRJFRFNKIX-KRWDZBQOSA-N 2 2 319.493 3.565 20 0 DHADLP Cc1ccc(-c2csc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)n2)cc1 ZINC000351754910 336065146 /nfs/dbraw/zinc/06/51/46/336065146.db2.gz GJPQQPKTXMNOLE-HNNXBMFYSA-N 2 2 315.486 3.502 20 0 DHADLP Cc1ccc(-c2csc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)n2)cc1 ZINC000351754910 336065148 /nfs/dbraw/zinc/06/51/48/336065148.db2.gz GJPQQPKTXMNOLE-HNNXBMFYSA-N 2 2 315.486 3.502 20 0 DHADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(Cl)c1 ZINC000352245324 336206441 /nfs/dbraw/zinc/20/64/41/336206441.db2.gz GVEPAWRDKWXXQN-NSHDSACASA-N 2 2 309.866 3.709 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000352364825 336214426 /nfs/dbraw/zinc/21/44/26/336214426.db2.gz JDEBFDPIPYSJLT-UHFFFAOYSA-N 2 2 318.367 3.712 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000352454513 336220155 /nfs/dbraw/zinc/22/01/55/336220155.db2.gz UULPPDWFYIVYIO-GFCCVEGCSA-N 2 2 307.850 3.640 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352701686 336231172 /nfs/dbraw/zinc/23/11/72/336231172.db2.gz MNFLKXCXWVXIPS-UHFFFAOYSA-N 2 2 315.461 3.671 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC(C)(C)c3ccccc32)s1 ZINC000352760501 336233427 /nfs/dbraw/zinc/23/34/27/336233427.db2.gz PTEIMJFQTXDCDU-INIZCTEOSA-N 2 2 315.486 3.717 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)s1 ZINC000352760502 336233438 /nfs/dbraw/zinc/23/34/38/336233438.db2.gz PTEIMJFQTXDCDU-MRXNPFEDSA-N 2 2 315.486 3.717 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@]2(C)CCCc3ccccc32)s1 ZINC000352762340 336233546 /nfs/dbraw/zinc/23/35/46/336233546.db2.gz FJUZNLABEGCEEX-SFHVURJKSA-N 2 2 315.486 3.546 20 0 DHADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352743058 336234263 /nfs/dbraw/zinc/23/42/63/336234263.db2.gz SSBKHLBZUMCYJP-ACJLOTCBSA-N 2 2 315.486 3.618 20 0 DHADLP Cc1ccc([C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C2CC2)cc1 ZINC000352779955 336236046 /nfs/dbraw/zinc/23/60/46/336236046.db2.gz MXCFQHRACSVVRS-GOSISDBHSA-N 2 2 315.486 3.754 20 0 DHADLP CCc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)s1 ZINC000352798544 336237908 /nfs/dbraw/zinc/23/79/08/336237908.db2.gz KTTNDFZHZJBEJG-HZPDHXFCSA-N 2 2 321.534 3.792 20 0 DHADLP CCc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)s1 ZINC000352798544 336237909 /nfs/dbraw/zinc/23/79/09/336237909.db2.gz KTTNDFZHZJBEJG-HZPDHXFCSA-N 2 2 321.534 3.792 20 0 DHADLP CCc1ncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000352798544 336237910 /nfs/dbraw/zinc/23/79/10/336237910.db2.gz KTTNDFZHZJBEJG-HZPDHXFCSA-N 2 2 321.534 3.792 20 0 DHADLP CCc1ncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000352798544 336237911 /nfs/dbraw/zinc/23/79/11/336237911.db2.gz KTTNDFZHZJBEJG-HZPDHXFCSA-N 2 2 321.534 3.792 20 0 DHADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352807073 336242762 /nfs/dbraw/zinc/24/27/62/336242762.db2.gz TZKRUYYEJYTELV-SNRMKQJTSA-N 2 2 316.489 3.855 20 0 DHADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352807073 336242763 /nfs/dbraw/zinc/24/27/63/336242763.db2.gz TZKRUYYEJYTELV-SNRMKQJTSA-N 2 2 316.489 3.855 20 0 DHADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352807072 336242820 /nfs/dbraw/zinc/24/28/20/336242820.db2.gz TZKRUYYEJYTELV-MNEFBYGVSA-N 2 2 316.489 3.855 20 0 DHADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352807072 336242821 /nfs/dbraw/zinc/24/28/21/336242821.db2.gz TZKRUYYEJYTELV-MNEFBYGVSA-N 2 2 316.489 3.855 20 0 DHADLP Cc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000580355209 336259995 /nfs/dbraw/zinc/25/99/95/336259995.db2.gz HSYCJIQXBVCBMR-NRFANRHFSA-N 2 2 321.468 3.632 20 0 DHADLP FC(F)(F)c1cscc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000352843666 336275868 /nfs/dbraw/zinc/27/58/68/336275868.db2.gz BNYMWPZAIIIVLI-UHFFFAOYSA-N 2 2 318.408 3.873 20 0 DHADLP COc1cccc2c(NC[C@H]3CC[N@@H+](C(C)C)C3)c(C)c[nH+]c12 ZINC000527044931 336280501 /nfs/dbraw/zinc/28/05/01/336280501.db2.gz PSKAANKYBOPJIJ-OAHLLOKOSA-N 2 2 313.445 3.694 20 0 DHADLP COc1cccc2c(NC[C@H]3CC[N@H+](C(C)C)C3)c(C)c[nH+]c12 ZINC000527044931 336280502 /nfs/dbraw/zinc/28/05/02/336280502.db2.gz PSKAANKYBOPJIJ-OAHLLOKOSA-N 2 2 313.445 3.694 20 0 DHADLP C[C@H]1C[C@H](C)C[NH+](CCCCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000301286842 336298897 /nfs/dbraw/zinc/29/88/97/336298897.db2.gz ZPBWMYOOEOSYIG-GJZGRUSLSA-N 2 2 302.466 3.524 20 0 DHADLP CC(C)(C)c1nc(NC2CCC([NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000301508416 336311377 /nfs/dbraw/zinc/31/13/77/336311377.db2.gz ANOJNUNNYNXEMY-UHFFFAOYSA-N 2 2 316.493 3.983 20 0 DHADLP C[NH+](C)C1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)CC1 ZINC000301706255 336324728 /nfs/dbraw/zinc/32/47/28/336324728.db2.gz BOPJMFKISAOLLA-UHFFFAOYSA-N 2 2 318.509 3.602 20 0 DHADLP CC[NH+]1CCC(N(C)c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000301840334 336333442 /nfs/dbraw/zinc/33/34/42/336333442.db2.gz ANBQRGQZIBRTFA-UHFFFAOYSA-N 2 2 304.482 3.644 20 0 DHADLP CCc1cc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)nc(C)[nH+]1 ZINC000302059674 336346273 /nfs/dbraw/zinc/34/62/73/336346273.db2.gz BGEDESMSLMAVJF-UHFFFAOYSA-N 2 2 307.401 3.855 20 0 DHADLP Cc1[nH+]c2ccccc2c(N2CCC[N@H+](CC(F)F)CC2)c1C ZINC000302126668 336349850 /nfs/dbraw/zinc/34/98/50/336349850.db2.gz FURHGKNYPYBKBS-UHFFFAOYSA-N 2 2 319.399 3.629 20 0 DHADLP Cc1[nH+]c2ccccc2c(N2CCC[N@@H+](CC(F)F)CC2)c1C ZINC000302126668 336349851 /nfs/dbraw/zinc/34/98/51/336349851.db2.gz FURHGKNYPYBKBS-UHFFFAOYSA-N 2 2 319.399 3.629 20 0 DHADLP CC(C)c1nc(NCCCn2cc[nH+]c2)cc(C(C)(C)C)[nH+]1 ZINC000302656265 336363605 /nfs/dbraw/zinc/36/36/05/336363605.db2.gz AAINUJKGJSYWGZ-UHFFFAOYSA-N 2 2 301.438 3.596 20 0 DHADLP Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2cccc(F)c2[nH+]1 ZINC000302731983 336366941 /nfs/dbraw/zinc/36/69/41/336366941.db2.gz MTRKCTBBBQDHHN-YOEHRIQHSA-N 2 2 313.420 3.603 20 0 DHADLP Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2cccc(F)c2[nH+]1 ZINC000302731983 336366942 /nfs/dbraw/zinc/36/69/42/336366942.db2.gz MTRKCTBBBQDHHN-YOEHRIQHSA-N 2 2 313.420 3.603 20 0 DHADLP C[N@@H+]1CC[C@@H](Nc2cc[nH+]cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000302802383 336369853 /nfs/dbraw/zinc/36/98/53/336369853.db2.gz DACPTYZTCCQVGM-CVEARBPZSA-N 2 2 323.774 3.871 20 0 DHADLP C[N@H+]1CC[C@@H](Nc2cc[nH+]cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000302802383 336369854 /nfs/dbraw/zinc/36/98/54/336369854.db2.gz DACPTYZTCCQVGM-CVEARBPZSA-N 2 2 323.774 3.871 20 0 DHADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000563985814 336389627 /nfs/dbraw/zinc/38/96/27/336389627.db2.gz IBLXCCKGNWJUKO-MBOZVWFJSA-N 2 2 324.468 3.748 20 0 DHADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000563985814 336389628 /nfs/dbraw/zinc/38/96/28/336389628.db2.gz IBLXCCKGNWJUKO-MBOZVWFJSA-N 2 2 324.468 3.748 20 0 DHADLP Cc1cc2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)ccc2[nH]1 ZINC000353135294 336404103 /nfs/dbraw/zinc/40/41/03/336404103.db2.gz IZAUKMIUROESFF-UHFFFAOYSA-N 2 2 316.408 3.952 20 0 DHADLP Cc1ccc([C@H]2OCCC[C@H]2[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000354280118 336465459 /nfs/dbraw/zinc/46/54/59/336465459.db2.gz DPXWXUORQQRNMM-UYAOXDASSA-N 2 2 321.424 3.653 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H](C)c2ccc(F)cc2F)c[nH+]1 ZINC000354507733 336473147 /nfs/dbraw/zinc/47/31/47/336473147.db2.gz JDKOPARJSWDQPQ-CYBMUJFWSA-N 2 2 304.384 3.994 20 0 DHADLP C[C@@H](CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)OCc1ccccc1 ZINC000354834109 336484202 /nfs/dbraw/zinc/48/42/02/336484202.db2.gz KDERRISWYNSORR-INIZCTEOSA-N 2 2 313.445 3.585 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000360055056 336699545 /nfs/dbraw/zinc/69/95/45/336699545.db2.gz OJVBYNWDEUVPEO-HZMBPMFUSA-N 2 2 310.228 3.856 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000360417682 336710982 /nfs/dbraw/zinc/71/09/82/336710982.db2.gz UGAMJARGZJKFND-MRXNPFEDSA-N 2 2 301.478 3.604 20 0 DHADLP COCCCCc1ccc[nH+]c1NCCCc1ccc(C)[nH+]c1 ZINC000361009279 336732828 /nfs/dbraw/zinc/73/28/28/336732828.db2.gz JIZWNTDWBYQDCL-UHFFFAOYSA-N 2 2 313.445 3.799 20 0 DHADLP Cc1ccc(C)c(OCCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000361383772 336754663 /nfs/dbraw/zinc/75/46/63/336754663.db2.gz GLBYTIFJAVXNET-UHFFFAOYSA-N 2 2 313.445 3.606 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(Cl)cc1 ZINC000363319039 336821937 /nfs/dbraw/zinc/82/19/37/336821937.db2.gz ZYNGPNVOLRSJBB-ZDUSSCGKSA-N 2 2 312.804 3.772 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000367438374 336822720 /nfs/dbraw/zinc/82/27/20/336822720.db2.gz MPJAKGJKQLBRBA-FQEVSTJZSA-N 2 2 323.484 3.681 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435136 336822739 /nfs/dbraw/zinc/82/27/39/336822739.db2.gz AWAOUCFXXCFFJN-INIZCTEOSA-N 2 2 301.821 3.650 20 0 DHADLP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccs3)CC2)CS1 ZINC000368460219 336845160 /nfs/dbraw/zinc/84/51/60/336845160.db2.gz AKOBCOKJWXMWSW-DOTOQJQBSA-N 2 2 324.559 3.832 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccs3)CC2)CS1 ZINC000368460222 336845170 /nfs/dbraw/zinc/84/51/70/336845170.db2.gz AKOBCOKJWXMWSW-WBVHZDCISA-N 2 2 324.559 3.832 20 0 DHADLP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000370422849 336884660 /nfs/dbraw/zinc/88/46/60/336884660.db2.gz SRLMOSNZNZPOKY-OAHLLOKOSA-N 2 2 315.486 3.767 20 0 DHADLP Cc1cc(C[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)ccc1F ZINC000371387981 336902110 /nfs/dbraw/zinc/90/21/10/336902110.db2.gz LDZBYKJPCCUAQB-UHFFFAOYSA-N 2 2 309.388 3.824 20 0 DHADLP Clc1cccc2c1CC[C@H]2[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372132511 336922866 /nfs/dbraw/zinc/92/28/66/336922866.db2.gz UJNAOWFTFXIYIW-QGZVFWFLSA-N 2 2 301.821 3.930 20 0 DHADLP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(C)C ZINC000373487571 336962070 /nfs/dbraw/zinc/96/20/70/336962070.db2.gz WLNFGSALBVTGNX-NRXISQOPSA-N 2 2 306.416 3.816 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@H]3CC=CCC3)C2)CC1 ZINC000373487446 336962134 /nfs/dbraw/zinc/96/21/34/336962134.db2.gz VXUVANQROIAOIT-JEYLPNPQSA-N 2 2 316.411 3.738 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC(C)(C)Cc3occc31)CCC2 ZINC000374573857 336992634 /nfs/dbraw/zinc/99/26/34/336992634.db2.gz DTHYZLYOSNWZHN-HOCLYGCPSA-N 2 2 313.445 3.965 20 0 DHADLP CC(C)c1nc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cs1 ZINC000375074562 337002672 /nfs/dbraw/zinc/00/26/72/337002672.db2.gz NSTVZWYPANVUPZ-CYBMUJFWSA-N 2 2 318.490 3.693 20 0 DHADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375095035 337003265 /nfs/dbraw/zinc/00/32/65/337003265.db2.gz UMLAROFAEUKQAT-HKUYNNGSSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375095035 337003266 /nfs/dbraw/zinc/00/32/66/337003266.db2.gz UMLAROFAEUKQAT-HKUYNNGSSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@@H](c1cnccn1)[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000375095035 337003267 /nfs/dbraw/zinc/00/32/67/337003267.db2.gz UMLAROFAEUKQAT-HKUYNNGSSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@@H](c1cnccn1)[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000375095035 337003268 /nfs/dbraw/zinc/00/32/68/337003268.db2.gz UMLAROFAEUKQAT-HKUYNNGSSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000376535484 337036074 /nfs/dbraw/zinc/03/60/74/337036074.db2.gz VQFPSZYTHHIXOR-SLTXQBBLSA-N 2 2 318.427 3.914 20 0 DHADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000376535484 337036075 /nfs/dbraw/zinc/03/60/75/337036075.db2.gz VQFPSZYTHHIXOR-SLTXQBBLSA-N 2 2 318.427 3.914 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376595793 337037590 /nfs/dbraw/zinc/03/75/90/337037590.db2.gz QWNUWBPVTILSIQ-NVXWUHKLSA-N 2 2 315.436 3.760 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376595793 337037591 /nfs/dbraw/zinc/03/75/91/337037591.db2.gz QWNUWBPVTILSIQ-NVXWUHKLSA-N 2 2 315.436 3.760 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1nccs1 ZINC000376806355 337041699 /nfs/dbraw/zinc/04/16/99/337041699.db2.gz JLRBYQDOSJSIEI-SGMGOOAPSA-N 2 2 307.488 3.548 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1nccs1 ZINC000376806355 337041700 /nfs/dbraw/zinc/04/17/00/337041700.db2.gz JLRBYQDOSJSIEI-SGMGOOAPSA-N 2 2 307.488 3.548 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCC2(C)C)[C@@H]1c1cccnc1 ZINC000377257375 337049535 /nfs/dbraw/zinc/04/95/35/337049535.db2.gz OJEHRKIWMUQMKD-KSZLIROESA-N 2 2 301.478 3.633 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCC2(C)C)[C@@H]1c1cccnc1 ZINC000377257375 337049536 /nfs/dbraw/zinc/04/95/36/337049536.db2.gz OJEHRKIWMUQMKD-KSZLIROESA-N 2 2 301.478 3.633 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000377632898 337056969 /nfs/dbraw/zinc/05/69/69/337056969.db2.gz WEPCKYJJWYMREK-UHFFFAOYSA-N 2 2 313.420 3.678 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1nccc3ccccc31)CCC2 ZINC000377817155 337061816 /nfs/dbraw/zinc/06/18/16/337061816.db2.gz PTCPEHNFDYJVPK-DOTOQJQBSA-N 2 2 320.440 3.968 20 0 DHADLP CSC1(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000378128753 337066807 /nfs/dbraw/zinc/06/68/07/337066807.db2.gz JRACYOJMHVXLAI-UHFFFAOYSA-N 2 2 322.493 3.665 20 0 DHADLP C[N@H+](CCCCC(F)(F)F)C1CCN(c2cccc[nH+]2)CC1 ZINC000378254515 337068810 /nfs/dbraw/zinc/06/88/10/337068810.db2.gz UKXQFUUMBTWDQQ-UHFFFAOYSA-N 2 2 315.383 3.715 20 0 DHADLP C[N@@H+](CCCCC(F)(F)F)C1CCN(c2cccc[nH+]2)CC1 ZINC000378254515 337068811 /nfs/dbraw/zinc/06/88/11/337068811.db2.gz UKXQFUUMBTWDQQ-UHFFFAOYSA-N 2 2 315.383 3.715 20 0 DHADLP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000378474288 337073756 /nfs/dbraw/zinc/07/37/56/337073756.db2.gz MQZAXKJDINPRQW-RTBURBONSA-N 2 2 313.445 3.596 20 0 DHADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1F ZINC000378495733 337074334 /nfs/dbraw/zinc/07/43/34/337074334.db2.gz MIYASGOXKCXATF-KRWDZBQOSA-N 2 2 301.409 3.642 20 0 DHADLP CCOc1ccccc1C[NH2+]Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000360059408 337084675 /nfs/dbraw/zinc/08/46/75/337084675.db2.gz NYSNWYPTNFAWSY-UHFFFAOYSA-N 2 2 321.424 3.776 20 0 DHADLP CCOc1cccc(C[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000360060727 337084722 /nfs/dbraw/zinc/08/47/22/337084722.db2.gz RDALKDLTPXJRGN-UHFFFAOYSA-N 2 2 321.424 3.776 20 0 DHADLP C[C@H]1Oc2c(cccc2F)[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000360063479 337084835 /nfs/dbraw/zinc/08/48/35/337084835.db2.gz ZLUPRRGYUQIUMK-WBMJQRKESA-N 2 2 306.425 3.500 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582551101 337104024 /nfs/dbraw/zinc/10/40/24/337104024.db2.gz MKTODEDBFLHBBM-CYBMUJFWSA-N 2 2 316.395 3.804 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582551101 337104025 /nfs/dbraw/zinc/10/40/25/337104025.db2.gz MKTODEDBFLHBBM-CYBMUJFWSA-N 2 2 316.395 3.804 20 0 DHADLP Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000175140146 337144703 /nfs/dbraw/zinc/14/47/03/337144703.db2.gz MFYHBXBRGCLPII-FQEVSTJZSA-N 2 2 320.440 3.938 20 0 DHADLP Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000175140146 337144704 /nfs/dbraw/zinc/14/47/04/337144704.db2.gz MFYHBXBRGCLPII-FQEVSTJZSA-N 2 2 320.440 3.938 20 0 DHADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000178186104 337161224 /nfs/dbraw/zinc/16/12/24/337161224.db2.gz ZLPHXTGJHDVQKT-LSDHHAIUSA-N 2 2 315.486 3.803 20 0 DHADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000178186104 337161225 /nfs/dbraw/zinc/16/12/25/337161225.db2.gz ZLPHXTGJHDVQKT-LSDHHAIUSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1nc2c(s1)CCCC2 ZINC000179401099 337167723 /nfs/dbraw/zinc/16/77/23/337167723.db2.gz FEHIBZXRKVDSHB-ZDUSSCGKSA-N 2 2 319.518 3.547 20 0 DHADLP Clc1ccc2[nH]cc(CC[NH2+]Cc3cccc4[nH+]ccn43)c2c1 ZINC000179428355 337169379 /nfs/dbraw/zinc/16/93/79/337169379.db2.gz IYXFKPYRNZVLAN-UHFFFAOYSA-N 2 2 324.815 3.801 20 0 DHADLP C[NH+](Cc1cccnc1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000182031217 337185877 /nfs/dbraw/zinc/18/58/77/337185877.db2.gz GQDCJMLKZCNRJJ-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP C[NH+](Cc1cccnc1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000182031217 337185878 /nfs/dbraw/zinc/18/58/78/337185878.db2.gz GQDCJMLKZCNRJJ-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)Cc1cccnc1 ZINC000182031217 337185879 /nfs/dbraw/zinc/18/58/79/337185879.db2.gz GQDCJMLKZCNRJJ-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)Cc1cccnc1 ZINC000182031217 337185880 /nfs/dbraw/zinc/18/58/80/337185880.db2.gz GQDCJMLKZCNRJJ-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000184529986 337198464 /nfs/dbraw/zinc/19/84/64/337198464.db2.gz ACMGXZSZSQVMJI-LLVKDONJSA-N 2 2 324.683 3.843 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(Cl)(Cl)Cl)C1 ZINC000184529986 337198465 /nfs/dbraw/zinc/19/84/65/337198465.db2.gz ACMGXZSZSQVMJI-LLVKDONJSA-N 2 2 324.683 3.843 20 0 DHADLP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000185196759 337202619 /nfs/dbraw/zinc/20/26/19/337202619.db2.gz RWINDGJXHGPPTK-RBUKOAKNSA-N 2 2 313.445 3.556 20 0 DHADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1OC(F)F ZINC000582857380 337211532 /nfs/dbraw/zinc/21/15/32/337211532.db2.gz NAACAHRRLJSEEN-CQSZACIVSA-N 2 2 309.360 3.571 20 0 DHADLP CC(C)CSCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000582978627 337222405 /nfs/dbraw/zinc/22/24/05/337222405.db2.gz OAYIDMQMVZJPPV-QZTJIDSGSA-N 2 2 306.519 3.801 20 0 DHADLP CC(C)CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000582978627 337222406 /nfs/dbraw/zinc/22/24/06/337222406.db2.gz OAYIDMQMVZJPPV-QZTJIDSGSA-N 2 2 306.519 3.801 20 0 DHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)ccc3Cl)C2)C1 ZINC000583097595 337240521 /nfs/dbraw/zinc/24/05/21/337240521.db2.gz PMOKAPCKVQEFTK-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)ccc3Cl)C2)C1 ZINC000583097595 337240522 /nfs/dbraw/zinc/24/05/22/337240522.db2.gz PMOKAPCKVQEFTK-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3Cl)C2)C1 ZINC000583097595 337240523 /nfs/dbraw/zinc/24/05/23/337240523.db2.gz PMOKAPCKVQEFTK-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)C1 ZINC000583097595 337240524 /nfs/dbraw/zinc/24/05/24/337240524.db2.gz PMOKAPCKVQEFTK-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP COc1ccsc1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000186124048 337253817 /nfs/dbraw/zinc/25/38/17/337253817.db2.gz ZRTXNWLAOIBRFS-ZDUSSCGKSA-N 2 2 313.426 3.793 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000392552325 337262412 /nfs/dbraw/zinc/26/24/12/337262412.db2.gz YLETZIQURIAKJC-LKUPVBHCSA-N 2 2 324.468 3.857 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000392552325 337262413 /nfs/dbraw/zinc/26/24/13/337262413.db2.gz YLETZIQURIAKJC-LKUPVBHCSA-N 2 2 324.468 3.857 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[N@H+](C)Cc1ccccc1 ZINC000187191043 337263692 /nfs/dbraw/zinc/26/36/92/337263692.db2.gz AGLZUJPHLTXZCK-HOTGVXAUSA-N 2 2 306.519 3.628 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000187191043 337263693 /nfs/dbraw/zinc/26/36/93/337263693.db2.gz AGLZUJPHLTXZCK-HOTGVXAUSA-N 2 2 306.519 3.628 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCCc3occc32)[nH+]1 ZINC000190932404 337291386 /nfs/dbraw/zinc/29/13/86/337291386.db2.gz DDTZXZQYFBICRX-GOSISDBHSA-N 2 2 321.424 3.734 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)CCO1 ZINC000193432129 337326550 /nfs/dbraw/zinc/32/65/50/337326550.db2.gz IPWLDMKPRSHUBI-QGZVFWFLSA-N 2 2 324.468 3.525 20 0 DHADLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)CCO1 ZINC000193432129 337326551 /nfs/dbraw/zinc/32/65/51/337326551.db2.gz IPWLDMKPRSHUBI-QGZVFWFLSA-N 2 2 324.468 3.525 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccnc1 ZINC000112532264 337390587 /nfs/dbraw/zinc/39/05/87/337390587.db2.gz VWMNSPAPCTZCFW-OAHLLOKOSA-N 2 2 313.420 3.536 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000262331272 337447192 /nfs/dbraw/zinc/44/71/92/337447192.db2.gz SMHOJXNHBLPLDV-JECHBYEQSA-N 2 2 300.377 3.630 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000262331274 337447196 /nfs/dbraw/zinc/44/71/96/337447196.db2.gz SMHOJXNHBLPLDV-MZPVMMEZSA-N 2 2 300.377 3.630 20 0 DHADLP C[C@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000419689770 337491366 /nfs/dbraw/zinc/49/13/66/337491366.db2.gz UHZCSPVVBWILRK-GOSISDBHSA-N 3 2 321.553 3.638 20 0 DHADLP Clc1ccc(/C=C\C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000255154743 337601616 /nfs/dbraw/zinc/60/16/16/337601616.db2.gz MHKSSEJBEHBYRU-UPHRSURJSA-N 2 2 301.821 3.887 20 0 DHADLP CCCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162251682 337610551 /nfs/dbraw/zinc/61/05/51/337610551.db2.gz OGOQCIAMQAQKBO-YLJYHZDGSA-N 2 2 315.505 3.995 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)on1 ZINC000422794181 337686975 /nfs/dbraw/zinc/68/69/75/337686975.db2.gz YKGTYLWHJUIGFB-FGTMMUONSA-N 2 2 319.493 3.979 20 0 DHADLP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1Cl ZINC000422925714 337691796 /nfs/dbraw/zinc/69/17/96/337691796.db2.gz BLVVQEVZUULCFW-JKSUJKDBSA-N 2 2 302.805 3.583 20 0 DHADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422939441 337692492 /nfs/dbraw/zinc/69/24/92/337692492.db2.gz FPPBYMQHIGVDDT-FHWLQOOXSA-N 2 2 308.425 3.807 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccc1OCC(C)C ZINC000422941145 337692625 /nfs/dbraw/zinc/69/26/25/337692625.db2.gz NWXFGHSPSDEDQZ-BFYDXBDKSA-N 2 2 320.477 3.521 20 0 DHADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423052157 337697438 /nfs/dbraw/zinc/69/74/38/337697438.db2.gz PWHYKFUXUWXWFS-RZAIGCCYSA-N 2 2 312.461 3.742 20 0 DHADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000423113594 337700165 /nfs/dbraw/zinc/70/01/65/337700165.db2.gz UPCCAVCUDUFCQU-RISCZKNCSA-N 2 2 302.796 3.539 20 0 DHADLP C[NH2+]CCC[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423200533 337703762 /nfs/dbraw/zinc/70/37/62/337703762.db2.gz MJBUFKMOAWUUEN-HXUWFJFHSA-N 2 2 323.415 3.662 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423242278 337706856 /nfs/dbraw/zinc/70/68/56/337706856.db2.gz VJZNAOYFZJLFFA-SWLSCSKDSA-N 2 2 301.459 3.521 20 0 DHADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1nc2c(s1)CCCC2 ZINC000423264025 337707985 /nfs/dbraw/zinc/70/79/85/337707985.db2.gz PNFAFVZRZSPPCK-SWLSCSKDSA-N 2 2 307.507 3.580 20 0 DHADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000423281683 337709312 /nfs/dbraw/zinc/70/93/12/337709312.db2.gz UJNAXYDXKPSLKN-HNNXBMFYSA-N 2 2 317.477 3.608 20 0 DHADLP CCC[NH2+]CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423307943 337711312 /nfs/dbraw/zinc/71/13/12/337711312.db2.gz IHQYYXVINDVNBL-OAHLLOKOSA-N 2 2 300.368 3.746 20 0 DHADLP CCC[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000423309983 337711405 /nfs/dbraw/zinc/71/14/05/337711405.db2.gz MUTGTLYRTKCRRC-LBPRGKRZSA-N 2 2 321.465 3.908 20 0 DHADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423319625 337711849 /nfs/dbraw/zinc/71/18/49/337711849.db2.gz LTVTYGKQMFRWGN-RNCFNFMXSA-N 2 2 323.234 3.583 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC[NH2+]1 ZINC000423396394 337715434 /nfs/dbraw/zinc/71/54/34/337715434.db2.gz UCAMRJKPRVLCNX-WIBUTAKZSA-N 2 2 321.424 3.647 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000423402106 337715688 /nfs/dbraw/zinc/71/56/88/337715688.db2.gz RGHWQGWUIGKDBJ-FZNYLWTLSA-N 2 2 305.224 3.781 20 0 DHADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423454729 337720305 /nfs/dbraw/zinc/72/03/05/337720305.db2.gz ZLBWLWXNKYEIEH-PRXAMGSTSA-N 2 2 306.812 3.894 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(Cl)c1 ZINC000423507285 337723759 /nfs/dbraw/zinc/72/37/59/337723759.db2.gz IFSLIKPJLASRHS-DOPJRALCSA-N 2 2 300.833 3.746 20 0 DHADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1csc(-c2ccccc2)n1 ZINC000423509592 337723921 /nfs/dbraw/zinc/72/39/21/337723921.db2.gz RQMKTLBKWVRMRU-BBRMVZONSA-N 2 2 315.486 3.978 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCCC[NH2+]C3)oc21 ZINC000423545814 337725337 /nfs/dbraw/zinc/72/53/37/337725337.db2.gz DSZSMFBXWKLYEL-ZFWWWQNUSA-N 2 2 302.418 3.624 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1Br ZINC000424371300 337827803 /nfs/dbraw/zinc/82/78/03/337827803.db2.gz FPOCXQKZAGXYML-CUOATXAZSA-N 2 2 315.230 3.509 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000425968413 338019283 /nfs/dbraw/zinc/01/92/83/338019283.db2.gz SATRWXIJVWQQHC-HNNXBMFYSA-N 2 2 310.869 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000425968413 338019284 /nfs/dbraw/zinc/01/92/84/338019284.db2.gz SATRWXIJVWQQHC-HNNXBMFYSA-N 2 2 310.869 3.655 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](OC(C)C)c1ccccc1 ZINC000428243307 338044156 /nfs/dbraw/zinc/04/41/56/338044156.db2.gz WSJRQIRURFWIPO-AABGKKOBSA-N 2 2 316.489 3.711 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](OC(C)C)c1ccccc1 ZINC000428243307 338044157 /nfs/dbraw/zinc/04/41/57/338044157.db2.gz WSJRQIRURFWIPO-AABGKKOBSA-N 2 2 316.489 3.711 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](OC(C)C)c1ccccc1 ZINC000428243307 338044158 /nfs/dbraw/zinc/04/41/58/338044158.db2.gz WSJRQIRURFWIPO-AABGKKOBSA-N 2 2 316.489 3.711 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](OC(C)C)c1ccccc1 ZINC000428243307 338044159 /nfs/dbraw/zinc/04/41/59/338044159.db2.gz WSJRQIRURFWIPO-AABGKKOBSA-N 2 2 316.489 3.711 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000428327343 338047599 /nfs/dbraw/zinc/04/75/99/338047599.db2.gz SPLSAICQYKLDEL-GOEBONIOSA-N 2 2 319.493 3.678 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000428327343 338047600 /nfs/dbraw/zinc/04/76/00/338047600.db2.gz SPLSAICQYKLDEL-GOEBONIOSA-N 2 2 319.493 3.678 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000428378908 338049590 /nfs/dbraw/zinc/04/95/90/338049590.db2.gz JHGGACXBNPQJKT-DOTOQJQBSA-N 2 2 317.477 3.555 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000428378908 338049591 /nfs/dbraw/zinc/04/95/91/338049591.db2.gz JHGGACXBNPQJKT-DOTOQJQBSA-N 2 2 317.477 3.555 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000428378908 338049592 /nfs/dbraw/zinc/04/95/92/338049592.db2.gz JHGGACXBNPQJKT-DOTOQJQBSA-N 2 2 317.477 3.555 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000428378908 338049593 /nfs/dbraw/zinc/04/95/93/338049593.db2.gz JHGGACXBNPQJKT-DOTOQJQBSA-N 2 2 317.477 3.555 20 0 DHADLP Clc1cccc(S[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000429168390 338072462 /nfs/dbraw/zinc/07/24/62/338072462.db2.gz CGDSJFFDCHQADT-INIZCTEOSA-N 2 2 321.877 3.793 20 0 DHADLP Clc1cccc(S[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000429168390 338072463 /nfs/dbraw/zinc/07/24/63/338072463.db2.gz CGDSJFFDCHQADT-INIZCTEOSA-N 2 2 321.877 3.793 20 0 DHADLP COC1(C[C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CCC1 ZINC000429368481 338078722 /nfs/dbraw/zinc/07/87/22/338078722.db2.gz WRSPISAPDFNYDM-HKUYNNGSSA-N 2 2 316.489 3.761 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000429709563 338087947 /nfs/dbraw/zinc/08/79/47/338087947.db2.gz QLKJCMRZMDGYSV-VMPITWQZSA-N 2 2 308.425 3.947 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000430040762 338094376 /nfs/dbraw/zinc/09/43/76/338094376.db2.gz JZGFMGRFZGXMLP-BFYDXBDKSA-N 2 2 308.416 3.847 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000430040762 338094377 /nfs/dbraw/zinc/09/43/77/338094377.db2.gz JZGFMGRFZGXMLP-BFYDXBDKSA-N 2 2 308.416 3.847 20 0 DHADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000430146874 338099195 /nfs/dbraw/zinc/09/91/95/338099195.db2.gz NBCPSKCPGBYPHJ-KRWDZBQOSA-N 2 2 304.821 3.614 20 0 DHADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000430146874 338099196 /nfs/dbraw/zinc/09/91/96/338099196.db2.gz NBCPSKCPGBYPHJ-KRWDZBQOSA-N 2 2 304.821 3.614 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000430146874 338099197 /nfs/dbraw/zinc/09/91/97/338099197.db2.gz NBCPSKCPGBYPHJ-KRWDZBQOSA-N 2 2 304.821 3.614 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000430146874 338099198 /nfs/dbraw/zinc/09/91/98/338099198.db2.gz NBCPSKCPGBYPHJ-KRWDZBQOSA-N 2 2 304.821 3.614 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000430225082 338102249 /nfs/dbraw/zinc/10/22/49/338102249.db2.gz IUVFTEUWTRMJCW-UZLBHIALSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000430225082 338102250 /nfs/dbraw/zinc/10/22/50/338102250.db2.gz IUVFTEUWTRMJCW-UZLBHIALSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000430642215 338110223 /nfs/dbraw/zinc/11/02/23/338110223.db2.gz ODTCFXTYNDJHAI-QAPCUYQASA-N 2 2 311.429 3.576 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000430642215 338110224 /nfs/dbraw/zinc/11/02/24/338110224.db2.gz ODTCFXTYNDJHAI-QAPCUYQASA-N 2 2 311.429 3.576 20 0 DHADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431174613 338124861 /nfs/dbraw/zinc/12/48/61/338124861.db2.gz FDMOHZMPNCKHMD-QZTJIDSGSA-N 2 2 300.377 3.825 20 0 DHADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431174613 338124862 /nfs/dbraw/zinc/12/48/62/338124862.db2.gz FDMOHZMPNCKHMD-QZTJIDSGSA-N 2 2 300.377 3.825 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3s2)[C@@H](C)C1 ZINC000432753575 338166575 /nfs/dbraw/zinc/16/65/75/338166575.db2.gz VGYCATMMDSQIEV-WFASDCNBSA-N 2 2 321.465 3.598 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3s2)[C@@H](C)C1 ZINC000432753575 338166576 /nfs/dbraw/zinc/16/65/76/338166576.db2.gz VGYCATMMDSQIEV-WFASDCNBSA-N 2 2 321.465 3.598 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(F)cc3s2)[C@@H](C)C1 ZINC000432753575 338166577 /nfs/dbraw/zinc/16/65/77/338166577.db2.gz VGYCATMMDSQIEV-WFASDCNBSA-N 2 2 321.465 3.598 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(F)cc3s2)[C@@H](C)C1 ZINC000432753575 338166578 /nfs/dbraw/zinc/16/65/78/338166578.db2.gz VGYCATMMDSQIEV-WFASDCNBSA-N 2 2 321.465 3.598 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000432754719 338166755 /nfs/dbraw/zinc/16/67/55/338166755.db2.gz NHJGZXWKBFXKAV-MNOVXSKESA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)CC[N@H+]1C ZINC000432754719 338166756 /nfs/dbraw/zinc/16/67/56/338166756.db2.gz NHJGZXWKBFXKAV-MNOVXSKESA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)CC[NH+]1C ZINC000432754719 338166757 /nfs/dbraw/zinc/16/67/57/338166757.db2.gz NHJGZXWKBFXKAV-MNOVXSKESA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)CC[NH+]1C ZINC000432754719 338166758 /nfs/dbraw/zinc/16/67/58/338166758.db2.gz NHJGZXWKBFXKAV-MNOVXSKESA-N 2 2 306.397 3.681 20 0 DHADLP Cc1cccc2c1C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000433049634 338178554 /nfs/dbraw/zinc/17/85/54/338178554.db2.gz WSAMPAHHYCFBKG-UHFFFAOYSA-N 2 2 309.438 3.801 20 0 DHADLP Cc1cccc2c1C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000433049634 338178555 /nfs/dbraw/zinc/17/85/55/338178555.db2.gz WSAMPAHHYCFBKG-UHFFFAOYSA-N 2 2 309.438 3.801 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3cc(F)c(Cl)cc3F)n2c1 ZINC000433188898 338184985 /nfs/dbraw/zinc/18/49/85/338184985.db2.gz DKTJUEZPDQIFRW-UHFFFAOYSA-N 2 2 321.758 3.864 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](CCc2cccc(Cl)c2Cl)CC1 ZINC000434490571 338218108 /nfs/dbraw/zinc/21/81/08/338218108.db2.gz DMDMYBQVYNFCQD-CQSZACIVSA-N 2 2 315.288 3.952 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2cccc(Cl)c2Cl)CC1 ZINC000434490571 338218109 /nfs/dbraw/zinc/21/81/09/338218109.db2.gz DMDMYBQVYNFCQD-CQSZACIVSA-N 2 2 315.288 3.952 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434981995 338228587 /nfs/dbraw/zinc/22/85/87/338228587.db2.gz MZTZPACUEAIKLZ-LBPRGKRZSA-N 2 2 321.371 3.952 20 0 DHADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]CCCNc3cccc[nH+]3)C2)cc1 ZINC000436306946 338268084 /nfs/dbraw/zinc/26/80/84/338268084.db2.gz QDFVTMRBKNLMLD-OALUTQOASA-N 2 2 309.457 3.885 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438193719 338336068 /nfs/dbraw/zinc/33/60/68/338336068.db2.gz VWQWVIUTNJXPMQ-LJISPDSOSA-N 2 2 306.416 3.960 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438193719 338336069 /nfs/dbraw/zinc/33/60/69/338336069.db2.gz VWQWVIUTNJXPMQ-LJISPDSOSA-N 2 2 306.416 3.960 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H](C)c2cccc(O)c2)[NH+](C)C)cc1 ZINC000442651915 338426760 /nfs/dbraw/zinc/42/67/60/338426760.db2.gz QQYURGJEYCHRKC-QRWLVFNGSA-N 2 2 312.457 3.908 20 0 DHADLP c1ccc(NCCCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[nH+]c1 ZINC000442796114 338432183 /nfs/dbraw/zinc/43/21/83/338432183.db2.gz SRDRQNCRJVYZNV-OAHLLOKOSA-N 2 2 320.440 3.512 20 0 DHADLP CCc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000447092578 338545114 /nfs/dbraw/zinc/54/51/14/338545114.db2.gz ZZMRTDTZFOEQAW-UHFFFAOYSA-N 2 2 300.402 3.589 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(C)(C)C ZINC000447938268 338572139 /nfs/dbraw/zinc/57/21/39/338572139.db2.gz FSWGEQKABQEJNY-ZDUSSCGKSA-N 2 2 311.539 3.897 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CSC[C@@H]2C)c(C)c1 ZINC000449193939 338601329 /nfs/dbraw/zinc/60/13/29/338601329.db2.gz RWICOGICZJXISK-SZMVWBNQSA-N 2 2 315.486 3.582 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449205341 338602276 /nfs/dbraw/zinc/60/22/76/338602276.db2.gz JYPHCNGZXFGJNU-UHFFFAOYSA-N 2 2 323.209 3.624 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3C[C@H](C)O[C@@H]3C)ccc2n1C1CC1 ZINC000449315030 338612104 /nfs/dbraw/zinc/61/21/04/338612104.db2.gz SSHQYLNWOPZADZ-WOSRLPQWSA-N 2 2 313.445 3.589 20 0 DHADLP c1ccc(N2CCC([NH2+]CC[C@H]3CCc4ccccc43)CC2)[nH+]c1 ZINC000449374828 338618959 /nfs/dbraw/zinc/61/89/59/338618959.db2.gz GPOTWABLEZFTFO-GOSISDBHSA-N 2 2 321.468 3.760 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC000449374037 338619057 /nfs/dbraw/zinc/61/90/57/338619057.db2.gz WAKUDMACKOEGME-OAHLLOKOSA-N 2 2 313.420 3.849 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1 ZINC000449572694 338638885 /nfs/dbraw/zinc/63/88/85/338638885.db2.gz NYJQKFYGKDKEOP-DEYYWGMASA-N 2 2 321.428 3.734 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453166104 338801720 /nfs/dbraw/zinc/80/17/20/338801720.db2.gz HGPVTAMPTKLAJI-YWZLYKJASA-N 2 2 313.489 3.775 20 0 DHADLP CC1(CC(F)(F)F)C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000459630255 339039262 /nfs/dbraw/zinc/03/92/62/339039262.db2.gz ARMUUMCMBQKRNG-UHFFFAOYSA-N 2 2 309.335 3.647 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000459665572 339041640 /nfs/dbraw/zinc/04/16/40/339041640.db2.gz QNLGGLPSIHWLSC-WBVHZDCISA-N 2 2 303.837 3.542 20 0 DHADLP Cc1ncc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)o1 ZINC000459698195 339043483 /nfs/dbraw/zinc/04/34/83/339043483.db2.gz MXJZSHXNHFUZTK-UHFFFAOYSA-N 2 2 307.482 3.752 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000167404404 339053448 /nfs/dbraw/zinc/05/34/48/339053448.db2.gz DRPDWRDCKOOYPF-CYBMUJFWSA-N 2 2 304.331 3.548 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000167404404 339053449 /nfs/dbraw/zinc/05/34/49/339053449.db2.gz DRPDWRDCKOOYPF-CYBMUJFWSA-N 2 2 304.331 3.548 20 0 DHADLP Clc1ccc2[nH+]cc(CNc3cc4c(c[nH+]3)CCCC4)n2c1 ZINC000461184338 339059979 /nfs/dbraw/zinc/05/99/79/339059979.db2.gz DVMGSOPQRJNPBK-UHFFFAOYSA-N 2 2 312.804 3.874 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)c1cccc(OC)c1 ZINC000462679370 339083942 /nfs/dbraw/zinc/08/39/42/339083942.db2.gz ILMIPUXALUDPJK-HHXXYDBFSA-N 2 2 304.478 3.856 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)[NH+](C)C)cc1 ZINC000462884771 339096118 /nfs/dbraw/zinc/09/61/18/339096118.db2.gz ACGFJXFGLWKCCV-VQTJNVASSA-N 2 2 324.468 3.971 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467380862 339235699 /nfs/dbraw/zinc/23/56/99/339235699.db2.gz IFJQWOPHQCNEIY-IPMKNSEASA-N 2 2 315.505 3.880 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467380862 339235700 /nfs/dbraw/zinc/23/57/00/339235700.db2.gz IFJQWOPHQCNEIY-IPMKNSEASA-N 2 2 315.505 3.880 20 0 DHADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000468602388 339266868 /nfs/dbraw/zinc/26/68/68/339266868.db2.gz YMNKOSBUXQZMOI-SWLSCSKDSA-N 2 2 314.395 3.523 20 0 DHADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000468602388 339266869 /nfs/dbraw/zinc/26/68/69/339266869.db2.gz YMNKOSBUXQZMOI-SWLSCSKDSA-N 2 2 314.395 3.523 20 0 DHADLP C[N@@H+]1CCCC12CC[NH+](C/C=C\c1ccc(Cl)cc1)CC2 ZINC000469768140 339298338 /nfs/dbraw/zinc/29/83/38/339298338.db2.gz HVYCKXVNDDVXTB-RQOWECAXSA-N 2 2 304.865 3.913 20 0 DHADLP C[N@H+]1CCCC12CC[NH+](C/C=C\c1ccc(Cl)cc1)CC2 ZINC000469768140 339298339 /nfs/dbraw/zinc/29/83/39/339298339.db2.gz HVYCKXVNDDVXTB-RQOWECAXSA-N 2 2 304.865 3.913 20 0 DHADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000469849241 339302584 /nfs/dbraw/zinc/30/25/84/339302584.db2.gz QVGOQALTSJJYAA-VXGBXAGGSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000469849241 339302585 /nfs/dbraw/zinc/30/25/85/339302585.db2.gz QVGOQALTSJJYAA-VXGBXAGGSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@H]1[NH3+] ZINC000469998326 339307629 /nfs/dbraw/zinc/30/76/29/339307629.db2.gz DBFKVQKFLACCIH-SUMWQHHRSA-N 2 2 322.880 3.831 20 0 DHADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@H]1[NH3+] ZINC000469998326 339307630 /nfs/dbraw/zinc/30/76/30/339307630.db2.gz DBFKVQKFLACCIH-SUMWQHHRSA-N 2 2 322.880 3.831 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000471593492 339348510 /nfs/dbraw/zinc/34/85/10/339348510.db2.gz KRKSLXRHEXNJOJ-JYJNAYRXSA-N 2 2 304.503 3.690 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000471593492 339348511 /nfs/dbraw/zinc/34/85/11/339348511.db2.gz KRKSLXRHEXNJOJ-JYJNAYRXSA-N 2 2 304.503 3.690 20 0 DHADLP CCOc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000472068641 339362272 /nfs/dbraw/zinc/36/22/72/339362272.db2.gz FVVNHHXVDMHUNT-OXJNMPFZSA-N 2 2 312.457 3.866 20 0 DHADLP Cc1cc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1F ZINC000472074766 339362742 /nfs/dbraw/zinc/36/27/42/339362742.db2.gz OYHPRCAOXRTIRX-DNVCBOLYSA-N 2 2 300.421 3.915 20 0 DHADLP CCOc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000472080327 339363025 /nfs/dbraw/zinc/36/30/25/339363025.db2.gz NNNLAKBYOZJILN-UZLBHIALSA-N 2 2 312.457 3.866 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000474025744 339397533 /nfs/dbraw/zinc/39/75/33/339397533.db2.gz WLMMWJJQUOBXBS-LPMFXHHGSA-N 2 2 314.473 3.632 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000474025744 339397534 /nfs/dbraw/zinc/39/75/34/339397534.db2.gz WLMMWJJQUOBXBS-LPMFXHHGSA-N 2 2 314.473 3.632 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCc1cc[nH+]cc1C ZINC000474045021 339398795 /nfs/dbraw/zinc/39/87/95/339398795.db2.gz NLUWIFDBVXHWRE-LJQANCHMSA-N 2 2 310.441 3.953 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[NH+]1CCC(C)CC1 ZINC000474048045 339399103 /nfs/dbraw/zinc/39/91/03/339399103.db2.gz VKZBWVABDFYKGA-GJZGRUSLSA-N 2 2 302.453 3.910 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000474055796 339399618 /nfs/dbraw/zinc/39/96/18/339399618.db2.gz SUBCJSGMKPBJNI-CEXWTWQISA-N 2 2 314.473 3.634 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000474055796 339399619 /nfs/dbraw/zinc/39/96/19/339399619.db2.gz SUBCJSGMKPBJNI-CEXWTWQISA-N 2 2 314.473 3.634 20 0 DHADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000474483588 339417223 /nfs/dbraw/zinc/41/72/23/339417223.db2.gz XHLGFGPJEVADAX-SLFFLAALSA-N 2 2 316.489 3.618 20 0 DHADLP CCOc1c(Cl)cccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475553557 339454738 /nfs/dbraw/zinc/45/47/38/339454738.db2.gz YMNIODOAEAEEMO-UHFFFAOYSA-N 2 2 322.880 3.845 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000479779819 339548570 /nfs/dbraw/zinc/54/85/70/339548570.db2.gz RXRRDFUMAJXKJX-LBPRGKRZSA-N 2 2 318.383 3.810 20 0 DHADLP c1cn(-c2ccccc2C[NH2+][C@H](Cc2ccccc2)C2CC2)c[nH+]1 ZINC000481550032 339606471 /nfs/dbraw/zinc/60/64/71/339606471.db2.gz ZHYUWPMYKNAHOW-HXUWFJFHSA-N 2 2 317.436 3.983 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)CC2 ZINC000481947939 339617684 /nfs/dbraw/zinc/61/76/84/339617684.db2.gz NXZFMINVAUAVCV-NHCUHLMSSA-N 2 2 324.468 3.883 20 0 DHADLP COc1cccc2c1CC[C@H]2[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000481950078 339617692 /nfs/dbraw/zinc/61/76/92/339617692.db2.gz CRHIQIJNXCBIRY-WOJBJXKFSA-N 2 2 324.468 3.883 20 0 DHADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000484466308 339686538 /nfs/dbraw/zinc/68/65/38/339686538.db2.gz JYWJDGTVJAZAPL-CRAIPNDOSA-N 2 2 322.518 3.563 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H]2CCSC2)c(C)c1 ZINC000487573864 339758065 /nfs/dbraw/zinc/75/80/65/339758065.db2.gz MAJKNCXZSMECOQ-WMZOPIPTSA-N 2 2 315.486 3.584 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000488458041 339783727 /nfs/dbraw/zinc/78/37/27/339783727.db2.gz JUGUORJOTFUTAR-MAUKXSAKSA-N 2 2 317.502 3.855 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(OC(C)(C)C)c1 ZINC000499682413 340042649 /nfs/dbraw/zinc/04/26/49/340042649.db2.gz SRGWJPXTFSCMPT-RDJZCZTQSA-N 2 2 316.489 3.887 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]C(C)(C)COCc3ccccc3)n2c1 ZINC000500464481 340059820 /nfs/dbraw/zinc/05/98/20/340059820.db2.gz SOLMWOSTEWXBEL-UHFFFAOYSA-N 2 2 323.440 3.728 20 0 DHADLP C[C@H](C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)[NH+](C)C ZINC000501478104 340081884 /nfs/dbraw/zinc/08/18/84/340081884.db2.gz MQSHMFZGCPKEKF-CQSZACIVSA-N 2 2 318.411 3.636 20 0 DHADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000502293263 340099041 /nfs/dbraw/zinc/09/90/41/340099041.db2.gz ZQQQCRNVOWMFLA-UXPWSPDFSA-N 2 2 316.464 3.958 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2CCOC)[NH+](C)C)cc1 ZINC000502699545 340111293 /nfs/dbraw/zinc/11/12/93/340111293.db2.gz LGTKFTOMCKETGU-HOJAQTOUSA-N 2 2 318.505 3.647 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000503546650 340130196 /nfs/dbraw/zinc/13/01/96/340130196.db2.gz LSELEWJUEPAITM-MGPUTAFESA-N 2 2 312.432 3.923 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000503546650 340130197 /nfs/dbraw/zinc/13/01/97/340130197.db2.gz LSELEWJUEPAITM-MGPUTAFESA-N 2 2 312.432 3.923 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000503586453 340131654 /nfs/dbraw/zinc/13/16/54/340131654.db2.gz KVWWJXFUTPATAG-UHFFFAOYSA-N 2 2 302.418 3.892 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000503586453 340131655 /nfs/dbraw/zinc/13/16/55/340131655.db2.gz KVWWJXFUTPATAG-UHFFFAOYSA-N 2 2 302.418 3.892 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000503912435 340136597 /nfs/dbraw/zinc/13/65/97/340136597.db2.gz SBRMIHKXSMCXIG-MWQQHZPXSA-N 2 2 324.415 3.572 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000503912435 340136598 /nfs/dbraw/zinc/13/65/98/340136598.db2.gz SBRMIHKXSMCXIG-MWQQHZPXSA-N 2 2 324.415 3.572 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)o1 ZINC000506329365 340192389 /nfs/dbraw/zinc/19/23/89/340192389.db2.gz ZEPSXIJUNAVWEV-CRAIPNDOSA-N 2 2 302.462 3.853 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)o1 ZINC000506329368 340192493 /nfs/dbraw/zinc/19/24/93/340192493.db2.gz ZEPSXIJUNAVWEV-YJBOKZPZSA-N 2 2 302.462 3.853 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000507506212 340223135 /nfs/dbraw/zinc/22/31/35/340223135.db2.gz FPNDYOPVXLITLO-IJEWVQPXSA-N 2 2 318.427 3.962 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000507519548 340223313 /nfs/dbraw/zinc/22/33/13/340223313.db2.gz IPNLAIKHUAHDSU-ZDUSSCGKSA-N 2 2 306.416 3.962 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000507995822 340236977 /nfs/dbraw/zinc/23/69/77/340236977.db2.gz ZNMVXXAZAHNWCL-UHFFFAOYSA-N 2 2 324.468 3.888 20 0 DHADLP C[N@@H+](Cc1csc(-c2ccccc2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000508560260 340246463 /nfs/dbraw/zinc/24/64/63/340246463.db2.gz JDDWAPPNMCKFKF-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP C[N@H+](Cc1csc(-c2ccccc2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000508560260 340246464 /nfs/dbraw/zinc/24/64/64/340246464.db2.gz JDDWAPPNMCKFKF-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](Cc1csc(-c2ccccc2)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000508560260 340246465 /nfs/dbraw/zinc/24/64/65/340246465.db2.gz JDDWAPPNMCKFKF-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](Cc1csc(-c2ccccc2)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508560260 340246466 /nfs/dbraw/zinc/24/64/66/340246466.db2.gz JDDWAPPNMCKFKF-OAHLLOKOSA-N 2 2 315.486 3.584 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000509644338 340275269 /nfs/dbraw/zinc/27/52/69/340275269.db2.gz RVQOSZXWEUUBAH-AWEZNQCLSA-N 2 2 314.395 3.869 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000509644338 340275270 /nfs/dbraw/zinc/27/52/70/340275270.db2.gz RVQOSZXWEUUBAH-AWEZNQCLSA-N 2 2 314.395 3.869 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000509963664 340284092 /nfs/dbraw/zinc/28/40/92/340284092.db2.gz NKPZDOFHCKYTJN-UHOSZYNNSA-N 2 2 318.505 3.690 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000509963664 340284093 /nfs/dbraw/zinc/28/40/93/340284093.db2.gz NKPZDOFHCKYTJN-UHOSZYNNSA-N 2 2 318.505 3.690 20 0 DHADLP Cc1cc(F)ccc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000302972673 340291526 /nfs/dbraw/zinc/29/15/26/340291526.db2.gz IODCIALOTWWBQG-FQEVSTJZSA-N 2 2 312.432 3.888 20 0 DHADLP Cc1cc(F)ccc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000302972673 340291527 /nfs/dbraw/zinc/29/15/27/340291527.db2.gz IODCIALOTWWBQG-FQEVSTJZSA-N 2 2 312.432 3.888 20 0 DHADLP CC[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510648517 340305055 /nfs/dbraw/zinc/30/50/55/340305055.db2.gz FTGNYIMGFKOHEG-ZDUSSCGKSA-N 2 2 302.384 3.568 20 0 DHADLP CC[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510648517 340305056 /nfs/dbraw/zinc/30/50/56/340305056.db2.gz FTGNYIMGFKOHEG-ZDUSSCGKSA-N 2 2 302.384 3.568 20 0 DHADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2CCCF)Cc2ccccc2C1 ZINC000510719365 340307918 /nfs/dbraw/zinc/30/79/18/340307918.db2.gz JNRXSKQZRWULPQ-LPHOPBHVSA-N 2 2 318.480 3.594 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C/C(C)=C/c1ccccc1COC ZINC000511048065 340319283 /nfs/dbraw/zinc/31/92/83/340319283.db2.gz WSIDOIAQNPEAPV-XMJIKXADSA-N 2 2 316.489 3.700 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C/C(C)=C/c1ccccc1COC ZINC000511048065 340319284 /nfs/dbraw/zinc/31/92/84/340319284.db2.gz WSIDOIAQNPEAPV-XMJIKXADSA-N 2 2 316.489 3.700 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)CC1 ZINC000512180079 340351018 /nfs/dbraw/zinc/35/10/18/340351018.db2.gz NRLNHLQJNZFVPA-INIZCTEOSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)CC1 ZINC000512180079 340351019 /nfs/dbraw/zinc/35/10/19/340351019.db2.gz NRLNHLQJNZFVPA-INIZCTEOSA-N 2 2 322.443 3.909 20 0 DHADLP CCC[N@H+](C)[C@@H](C[NH2+]Cc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000512576071 340367627 /nfs/dbraw/zinc/36/76/27/340367627.db2.gz AVUBDVIURMOMDC-KRWDZBQOSA-N 2 2 305.853 3.841 20 0 DHADLP CCC[N@@H+](C)[C@@H](C[NH2+]Cc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000512576071 340367628 /nfs/dbraw/zinc/36/76/28/340367628.db2.gz AVUBDVIURMOMDC-KRWDZBQOSA-N 2 2 305.853 3.841 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000173788462 340374190 /nfs/dbraw/zinc/37/41/90/340374190.db2.gz YGJYXLYHBCFBCD-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000173788462 340374191 /nfs/dbraw/zinc/37/41/91/340374191.db2.gz YGJYXLYHBCFBCD-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513238221 340398924 /nfs/dbraw/zinc/39/89/24/340398924.db2.gz KFCKGSCNXUCHDI-HIFRSBDPSA-N 2 2 306.416 3.962 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000523738105 340636828 /nfs/dbraw/zinc/63/68/28/340636828.db2.gz AJDGMUVPVDABCH-UHFFFAOYSA-N 2 2 316.420 3.970 20 0 DHADLP COc1c(C)cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530217377 340782712 /nfs/dbraw/zinc/78/27/12/340782712.db2.gz SRPZERGJZDPGFM-DOMZBBRYSA-N 2 2 308.853 3.592 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216274 340782830 /nfs/dbraw/zinc/78/28/30/340782830.db2.gz ABVUKPPPAAIZSA-YPMHNXCESA-N 2 2 307.507 3.684 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)(F)F)cc1 ZINC000530222786 340783056 /nfs/dbraw/zinc/78/30/56/340783056.db2.gz RQGFXSZBUZFHEM-SMDDNHRTSA-N 2 2 314.351 3.520 20 0 DHADLP Cc1ccccc1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000539659986 340895061 /nfs/dbraw/zinc/89/50/61/340895061.db2.gz RMGBFRQPPTUKDW-SJLPKXTDSA-N 2 2 324.472 3.703 20 0 DHADLP Clc1ccccc1CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000541278428 340965023 /nfs/dbraw/zinc/96/50/23/340965023.db2.gz JOCDYVJUZGPGHS-UHFFFAOYSA-N 2 2 303.837 3.875 20 0 DHADLP C[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000542915121 341026106 /nfs/dbraw/zinc/02/61/06/341026106.db2.gz JFWKJHLSUNOKGM-FUHIMQAGSA-N 2 2 309.457 3.571 20 0 DHADLP C[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000542915121 341026107 /nfs/dbraw/zinc/02/61/07/341026107.db2.gz JFWKJHLSUNOKGM-FUHIMQAGSA-N 2 2 309.457 3.571 20 0 DHADLP CC(C)[C@@H](C[NH2+][C@@H]1CCCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000543065922 341030236 /nfs/dbraw/zinc/03/02/36/341030236.db2.gz CWVPWJNNMFXMIO-RTBURBONSA-N 2 2 318.530 3.555 20 0 DHADLP CC(C)[C@@H](C[NH2+][C@@H]1CCCSC1)[N@H+]1CCc2ccccc2C1 ZINC000543065922 341030237 /nfs/dbraw/zinc/03/02/37/341030237.db2.gz CWVPWJNNMFXMIO-RTBURBONSA-N 2 2 318.530 3.555 20 0 DHADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130708025 341039862 /nfs/dbraw/zinc/03/98/62/341039862.db2.gz MAMGUVMCEPRQBG-YJYMSZOUSA-N 2 2 309.388 3.539 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)CCC2 ZINC000130875049 341051288 /nfs/dbraw/zinc/05/12/88/341051288.db2.gz NQJTZJPNCIMEFR-LJQANCHMSA-N 2 2 302.437 3.763 20 0 DHADLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000544351231 341077685 /nfs/dbraw/zinc/07/76/85/341077685.db2.gz QTVKCTNPVCDBCR-GOSISDBHSA-N 2 2 324.453 3.974 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000544461540 341083236 /nfs/dbraw/zinc/08/32/36/341083236.db2.gz MEMRBTKARYCXFQ-NVXWUHKLSA-N 2 2 313.445 3.867 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ncc(-c2ccccc2)o1 ZINC000544461540 341083237 /nfs/dbraw/zinc/08/32/37/341083237.db2.gz MEMRBTKARYCXFQ-NVXWUHKLSA-N 2 2 313.445 3.867 20 0 DHADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000544577540 341086847 /nfs/dbraw/zinc/08/68/47/341086847.db2.gz HYONRQQHKVVJOK-LJQANCHMSA-N 2 2 320.477 3.520 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCc3ccccc32)[nH+]1 ZINC000132148651 341117232 /nfs/dbraw/zinc/11/72/32/341117232.db2.gz VCUVNTQOYKWXCL-HXUWFJFHSA-N 2 2 317.436 3.751 20 0 DHADLP CCCC1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000075809222 341183431 /nfs/dbraw/zinc/18/34/31/341183431.db2.gz WRCLOEMGGSWMAX-UHFFFAOYSA-N 2 2 315.505 3.995 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000076000813 341195441 /nfs/dbraw/zinc/19/54/41/341195441.db2.gz AFXNABMIKKIILE-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000076000813 341195442 /nfs/dbraw/zinc/19/54/42/341195442.db2.gz AFXNABMIKKIILE-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000077249467 341221575 /nfs/dbraw/zinc/22/15/75/341221575.db2.gz WULNCOHSKSFQEQ-UHFFFAOYSA-N 2 2 301.261 3.910 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000077249467 341221576 /nfs/dbraw/zinc/22/15/76/341221576.db2.gz WULNCOHSKSFQEQ-UHFFFAOYSA-N 2 2 301.261 3.910 20 0 DHADLP CCCCOc1ccccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000136159969 341254180 /nfs/dbraw/zinc/25/41/80/341254180.db2.gz QUPBKDHPDMULMZ-KRWDZBQOSA-N 2 2 304.478 3.639 20 0 DHADLP CCCCOc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000136159969 341254181 /nfs/dbraw/zinc/25/41/81/341254181.db2.gz QUPBKDHPDMULMZ-KRWDZBQOSA-N 2 2 304.478 3.639 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000136159969 341254182 /nfs/dbraw/zinc/25/41/82/341254182.db2.gz QUPBKDHPDMULMZ-KRWDZBQOSA-N 2 2 304.478 3.639 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000136159969 341254183 /nfs/dbraw/zinc/25/41/83/341254183.db2.gz QUPBKDHPDMULMZ-KRWDZBQOSA-N 2 2 304.478 3.639 20 0 DHADLP CC[N@H+](CCSC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000549139558 341286892 /nfs/dbraw/zinc/28/68/92/341286892.db2.gz ZMNIYDYIUGFYKE-UHFFFAOYSA-N 2 2 321.534 3.762 20 0 DHADLP CC[N@@H+](CCSC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000549139558 341286893 /nfs/dbraw/zinc/28/68/93/341286893.db2.gz ZMNIYDYIUGFYKE-UHFFFAOYSA-N 2 2 321.534 3.762 20 0 DHADLP CCOC1(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCCC1 ZINC000549864035 341305435 /nfs/dbraw/zinc/30/54/35/341305435.db2.gz QASSIGNUWSGFRO-PKOBYXMFSA-N 2 2 316.489 3.761 20 0 DHADLP CCOC1(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCCC1 ZINC000549864035 341305436 /nfs/dbraw/zinc/30/54/36/341305436.db2.gz QASSIGNUWSGFRO-PKOBYXMFSA-N 2 2 316.489 3.761 20 0 DHADLP COc1cc2c(cc1Cl)C[N@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000550113321 341310283 /nfs/dbraw/zinc/31/02/83/341310283.db2.gz SJKLYUCORLYMAD-MRXNPFEDSA-N 2 2 322.880 3.581 20 0 DHADLP COc1cc2c(cc1Cl)C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000550113321 341310284 /nfs/dbraw/zinc/31/02/84/341310284.db2.gz SJKLYUCORLYMAD-MRXNPFEDSA-N 2 2 322.880 3.581 20 0 DHADLP COc1cc2c(cc1Cl)C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC2 ZINC000550113321 341310285 /nfs/dbraw/zinc/31/02/85/341310285.db2.gz SJKLYUCORLYMAD-MRXNPFEDSA-N 2 2 322.880 3.581 20 0 DHADLP COc1cc2c(cc1Cl)C[NH+](CC[C@H]1CCCC[N@H+]1C)CC2 ZINC000550113321 341310286 /nfs/dbraw/zinc/31/02/86/341310286.db2.gz SJKLYUCORLYMAD-MRXNPFEDSA-N 2 2 322.880 3.581 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cn2ccccc2n1 ZINC000550885617 341325425 /nfs/dbraw/zinc/32/54/25/341325425.db2.gz ITJRPQLNFFCTMC-INIZCTEOSA-N 2 2 314.477 3.640 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cn2ccccc2n1 ZINC000550885617 341325426 /nfs/dbraw/zinc/32/54/26/341325426.db2.gz ITJRPQLNFFCTMC-INIZCTEOSA-N 2 2 314.477 3.640 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@]2(C)CCCO2)[NH+]2CCCC2)cc1 ZINC000551030650 341329616 /nfs/dbraw/zinc/32/96/16/341329616.db2.gz YGXCRUZKVXRPBJ-IHPCNDPISA-N 2 2 316.489 3.679 20 0 DHADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000551534938 341344465 /nfs/dbraw/zinc/34/44/65/341344465.db2.gz SFSQEEIDJYMMNB-DZGCQCFKSA-N 2 2 310.869 3.872 20 0 DHADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1Cl ZINC000551534938 341344466 /nfs/dbraw/zinc/34/44/66/341344466.db2.gz SFSQEEIDJYMMNB-DZGCQCFKSA-N 2 2 310.869 3.872 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000551537558 341344865 /nfs/dbraw/zinc/34/48/65/341344865.db2.gz URMLNCKEUVAWPI-JQERWDHBSA-N 2 2 318.505 3.753 20 0 DHADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246487262 341350559 /nfs/dbraw/zinc/35/05/59/341350559.db2.gz AJNJZVMHUVZKCF-ROUUACIJSA-N 2 2 324.468 3.555 20 0 DHADLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246487262 341350560 /nfs/dbraw/zinc/35/05/60/341350560.db2.gz AJNJZVMHUVZKCF-ROUUACIJSA-N 2 2 324.468 3.555 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000551791316 341351852 /nfs/dbraw/zinc/35/18/52/341351852.db2.gz KPDTZPLIBGKLJF-NSISKUIASA-N 2 2 316.489 3.653 20 0 DHADLP CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246970952 341359277 /nfs/dbraw/zinc/35/92/77/341359277.db2.gz JKBXTHDLZAIYCP-JKSUJKDBSA-N 2 2 314.477 3.562 20 0 DHADLP CC[C@H](C)[N@H+](C)CCN[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246970952 341359278 /nfs/dbraw/zinc/35/92/78/341359278.db2.gz JKBXTHDLZAIYCP-JKSUJKDBSA-N 2 2 314.477 3.562 20 0 DHADLP CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246970952 341359279 /nfs/dbraw/zinc/35/92/79/341359279.db2.gz JKBXTHDLZAIYCP-JKSUJKDBSA-N 2 2 314.477 3.562 20 0 DHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000552062135 341366246 /nfs/dbraw/zinc/36/62/46/341366246.db2.gz NJNHZQOTWDZFFN-PKOBYXMFSA-N 2 2 301.478 3.593 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H]3C[C@H](c4ccc(F)cc4)C3)c[nH+]c12 ZINC000552071832 341367622 /nfs/dbraw/zinc/36/76/22/341367622.db2.gz FLISHOMGFVVYSV-JCNLHEQBSA-N 2 2 309.388 3.818 20 0 DHADLP C[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000248033514 341372432 /nfs/dbraw/zinc/37/24/32/341372432.db2.gz QXRSGYJXWPQXMU-YESZJQIVSA-N 2 2 322.518 3.536 20 0 DHADLP Cc1ccc(C)c([C@@H]2C[N@H+](CC[C@H]3CCC[NH+]3C)[C@@H](C)CO2)c1 ZINC000248059682 341372911 /nfs/dbraw/zinc/37/29/11/341372911.db2.gz OXFRHPROYSIJMQ-NSHGMRRFSA-N 2 2 316.489 3.550 20 0 DHADLP Cc1ccc(C)c([C@@H]2C[N@@H+](CC[C@H]3CCC[NH+]3C)[C@@H](C)CO2)c1 ZINC000248059682 341372912 /nfs/dbraw/zinc/37/29/12/341372912.db2.gz OXFRHPROYSIJMQ-NSHGMRRFSA-N 2 2 316.489 3.550 20 0 DHADLP Cc1ccc(C)c([C@@H]2C[NH+](CC[C@H]3CCC[N@@H+]3C)[C@@H](C)CO2)c1 ZINC000248059682 341372913 /nfs/dbraw/zinc/37/29/13/341372913.db2.gz OXFRHPROYSIJMQ-NSHGMRRFSA-N 2 2 316.489 3.550 20 0 DHADLP Cc1ccc(C)c([C@@H]2C[NH+](CC[C@H]3CCC[N@H+]3C)[C@@H](C)CO2)c1 ZINC000248059682 341372914 /nfs/dbraw/zinc/37/29/14/341372914.db2.gz OXFRHPROYSIJMQ-NSHGMRRFSA-N 2 2 316.489 3.550 20 0 DHADLP CSCCCCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248567312 341380165 /nfs/dbraw/zinc/38/01/65/341380165.db2.gz PEYKFVXFVVEMRM-SJLPKXTDSA-N 2 2 306.519 3.945 20 0 DHADLP CSCCCCC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000248567312 341380166 /nfs/dbraw/zinc/38/01/66/341380166.db2.gz PEYKFVXFVVEMRM-SJLPKXTDSA-N 2 2 306.519 3.945 20 0 DHADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248698368 341384548 /nfs/dbraw/zinc/38/45/48/341384548.db2.gz FBVQLEVNESNDOD-DYVFJYSZSA-N 2 2 303.837 3.928 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000552304791 341385443 /nfs/dbraw/zinc/38/54/43/341385443.db2.gz BWEVFCIEYAZAKQ-OAHLLOKOSA-N 2 2 315.486 3.630 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000552304791 341385444 /nfs/dbraw/zinc/38/54/44/341385444.db2.gz BWEVFCIEYAZAKQ-OAHLLOKOSA-N 2 2 315.486 3.630 20 0 DHADLP Cc1ccccc1[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)[C@@H](C)CO1 ZINC000249345921 341396553 /nfs/dbraw/zinc/39/65/53/341396553.db2.gz JSGPGFJECCLPBJ-ICSRJNTNSA-N 2 2 316.489 3.633 20 0 DHADLP Cc1ccccc1[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@@H](C)CO1 ZINC000249345921 341396554 /nfs/dbraw/zinc/39/65/54/341396554.db2.gz JSGPGFJECCLPBJ-ICSRJNTNSA-N 2 2 316.489 3.633 20 0 DHADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)[NH+]2CCCC2)cc1 ZINC000554050625 341441785 /nfs/dbraw/zinc/44/17/85/341441785.db2.gz QAKRCIOQPVISKG-ZCNNSNEGSA-N 2 2 314.473 3.610 20 0 DHADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554050382 341441788 /nfs/dbraw/zinc/44/17/88/341441788.db2.gz LCDIVZBKJSRWQK-RBUKOAKNSA-N 2 2 302.437 3.568 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000554890826 341468642 /nfs/dbraw/zinc/46/86/42/341468642.db2.gz YEALTYUCSSIUFL-FZKQIMNGSA-N 2 2 300.377 3.574 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C[C@H]1C ZINC000554934677 341469737 /nfs/dbraw/zinc/46/97/37/341469737.db2.gz AJYZNMJDOHICRI-NFAWXSAZSA-N 2 2 306.416 3.818 20 0 DHADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1COc2ccccc2C1)[NH+](C)C ZINC000556178702 341496431 /nfs/dbraw/zinc/49/64/31/341496431.db2.gz HRJCBDMGKDGVNL-MDKPJZGXSA-N 2 2 324.468 3.580 20 0 DHADLP COCC[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000153427468 341539516 /nfs/dbraw/zinc/53/95/16/341539516.db2.gz ADLNRZWSWQOANE-HOTGVXAUSA-N 2 2 310.507 3.536 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)n1C ZINC000566498714 341560026 /nfs/dbraw/zinc/56/00/26/341560026.db2.gz GXTCZUSYWNQBBC-FQEVSTJZSA-N 2 2 305.425 3.802 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+]Cc3c[nH+]c(C)n3C)c(C)c2c1 ZINC000567063191 341577651 /nfs/dbraw/zinc/57/76/51/341577651.db2.gz RGTHVCRHGKBZLA-LBPRGKRZSA-N 2 2 313.401 3.643 20 0 DHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000315526180 341659714 /nfs/dbraw/zinc/65/97/14/341659714.db2.gz FPXXPYVATAXSSA-ZDUSSCGKSA-N 2 2 309.360 3.616 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)n1C ZINC000573459481 341728952 /nfs/dbraw/zinc/72/89/52/341728952.db2.gz GRFVAMSGPAHALR-LLVKDONJSA-N 2 2 311.351 3.641 20 0 DHADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000573513759 341730620 /nfs/dbraw/zinc/73/06/20/341730620.db2.gz CUPNHHGINSNFTL-HOCLYGCPSA-N 2 2 301.409 3.926 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1nc2c(s1)CCCC2 ZINC000575914161 341814324 /nfs/dbraw/zinc/81/43/24/341814324.db2.gz KRTRGAHKLYBWHV-CYBMUJFWSA-N 2 2 307.507 3.724 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)n1C ZINC000577531052 341916186 /nfs/dbraw/zinc/91/61/86/341916186.db2.gz SNZUQIPRDUPEFB-FQEVSTJZSA-N 2 2 321.424 3.638 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367599290 518707939 /nfs/dbraw/zinc/70/79/39/518707939.db2.gz HIGAIOPDSQVXOX-QGZVFWFLSA-N 2 2 318.509 3.884 20 0 DHADLP CC(C)C[C@@H]([NH3+])c1noc(-c2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000339396924 519227327 /nfs/dbraw/zinc/22/73/27/519227327.db2.gz PSIASHCZFROQIG-MRXNPFEDSA-N 2 2 324.384 3.970 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccsc3)CC2)CS1 ZINC000364857074 519805041 /nfs/dbraw/zinc/80/50/41/519805041.db2.gz JPDPJSXEFDULFM-SJORKVTESA-N 2 2 324.559 3.832 20 0 DHADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000182593221 520860167 /nfs/dbraw/zinc/86/01/67/520860167.db2.gz QYFOPVIETKZPLV-XLIONFOSSA-N 2 2 313.489 3.628 20 0 DHADLP CCCc1nc(C[N@@H+](C)CCCc2[nH+]ccn2CCC)cs1 ZINC000191472157 521502294 /nfs/dbraw/zinc/50/22/94/521502294.db2.gz CJHRGTKBGFFTGK-UHFFFAOYSA-N 2 2 320.506 3.767 20 0 DHADLP CCCc1nc(C[N@H+](C)CCCc2[nH+]ccn2CCC)cs1 ZINC000191472157 521502299 /nfs/dbraw/zinc/50/22/99/521502299.db2.gz CJHRGTKBGFFTGK-UHFFFAOYSA-N 2 2 320.506 3.767 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000157481297 521564573 /nfs/dbraw/zinc/56/45/73/521564573.db2.gz ZSWMARJDZKXNIT-UHFFFAOYSA-N 2 2 300.368 3.622 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000157481297 521564580 /nfs/dbraw/zinc/56/45/80/521564580.db2.gz ZSWMARJDZKXNIT-UHFFFAOYSA-N 2 2 300.368 3.622 20 0 DHADLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1SC ZINC000266722982 522368998 /nfs/dbraw/zinc/36/89/98/522368998.db2.gz HZILWNOVTANYTO-UHFFFAOYSA-N 2 2 317.458 3.520 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+]CC(C)(C)COC)ccc2n1C1CC1 ZINC000338463599 522483435 /nfs/dbraw/zinc/48/34/35/522483435.db2.gz YZVRNQBVQLYULL-UHFFFAOYSA-N 2 2 315.461 3.696 20 0 DHADLP CC[C@@H](Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)c1[nH+]ccn1C ZINC000180061511 522960568 /nfs/dbraw/zinc/96/05/68/522960568.db2.gz GVCGWTBVEPWYOA-CQSZACIVSA-N 2 2 309.417 3.747 20 0 DHADLP C[N@H+](Cc1ccsc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000359110341 523484992 /nfs/dbraw/zinc/48/49/92/523484992.db2.gz WEYJQIAWRKNEHT-UHFFFAOYSA-N 2 2 306.397 3.597 20 0 DHADLP C[N@@H+](Cc1ccsc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000359110341 523485001 /nfs/dbraw/zinc/48/50/01/523485001.db2.gz WEYJQIAWRKNEHT-UHFFFAOYSA-N 2 2 306.397 3.597 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337306280 523788683 /nfs/dbraw/zinc/78/86/83/523788683.db2.gz RVCBJCXSLICHRH-UHOSZYNNSA-N 2 2 315.505 3.818 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337306280 523788690 /nfs/dbraw/zinc/78/86/90/523788690.db2.gz RVCBJCXSLICHRH-UHOSZYNNSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)[NH+]1CCC(C)CC1 ZINC000337344846 524498648 /nfs/dbraw/zinc/49/86/48/524498648.db2.gz UNCAZVMBOVLCAS-WSTZPKSXSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156427120 524508834 /nfs/dbraw/zinc/50/88/34/524508834.db2.gz VOGPBRPQKAHXCZ-CJNGLKHVSA-N 2 2 321.371 3.568 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156427120 524508842 /nfs/dbraw/zinc/50/88/42/524508842.db2.gz VOGPBRPQKAHXCZ-CJNGLKHVSA-N 2 2 321.371 3.568 20 0 DHADLP C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337318191 524757647 /nfs/dbraw/zinc/75/76/47/524757647.db2.gz MGOVJZKDDTZIFL-CVEARBPZSA-N 2 2 306.413 3.549 20 0 DHADLP Cc1cc(Cl)cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000339398320 524874564 /nfs/dbraw/zinc/87/45/64/524874564.db2.gz CGVCUINKLRAPFB-UHFFFAOYSA-N 2 2 312.804 3.900 20 0 DHADLP Cc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267423865 525349387 /nfs/dbraw/zinc/34/93/87/525349387.db2.gz VCCVUTUOBOWJCE-MRXNPFEDSA-N 2 2 306.413 3.769 20 0 DHADLP Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267423865 525349397 /nfs/dbraw/zinc/34/93/97/525349397.db2.gz VCCVUTUOBOWJCE-MRXNPFEDSA-N 2 2 306.413 3.769 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156374829 525479902 /nfs/dbraw/zinc/47/99/02/525479902.db2.gz HMIRCEMIHPPKFW-PBHICJAKSA-N 2 2 301.459 3.809 20 0 DHADLP C[C@H]([NH2+][C@@H](C)c1ccncc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338031464 525538370 /nfs/dbraw/zinc/53/83/70/525538370.db2.gz UMRHVXBXFUNFEZ-KBPBESRZSA-N 2 2 310.376 3.818 20 0 DHADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1Cl ZINC000339559962 525561960 /nfs/dbraw/zinc/56/19/60/525561960.db2.gz YGLUTNYEPXEECM-LLVKDONJSA-N 2 2 309.866 3.709 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000130156825 525683290 /nfs/dbraw/zinc/68/32/90/525683290.db2.gz STAAGUMGELCJTA-HZSPNIEDSA-N 2 2 323.278 3.727 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000130156825 525683299 /nfs/dbraw/zinc/68/32/99/525683299.db2.gz STAAGUMGELCJTA-HZSPNIEDSA-N 2 2 323.278 3.727 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1C ZINC000363832118 525733731 /nfs/dbraw/zinc/73/37/31/525733731.db2.gz UOCZFOAIHXWDRI-MRXNPFEDSA-N 2 2 306.413 3.735 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)COC(C)C)c(C)c1 ZINC000337257178 525765536 /nfs/dbraw/zinc/76/55/36/525765536.db2.gz NUATZRYDGNFNHN-PKOBYXMFSA-N 2 2 315.461 3.644 20 0 DHADLP Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000189890262 525977385 /nfs/dbraw/zinc/97/73/85/525977385.db2.gz KWWNCUPOMSBMHC-OXJNMPFZSA-N 2 2 321.424 3.565 20 0 DHADLP CSc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365666439 525991097 /nfs/dbraw/zinc/99/10/97/525991097.db2.gz QTPNJMHGFDAMTD-OAHLLOKOSA-N 2 2 301.459 3.522 20 0 DHADLP CSc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365666439 525991109 /nfs/dbraw/zinc/99/11/09/525991109.db2.gz QTPNJMHGFDAMTD-OAHLLOKOSA-N 2 2 301.459 3.522 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266891598 526067209 /nfs/dbraw/zinc/06/72/09/526067209.db2.gz DCCUCIKAILTJKD-TZMCWYRMSA-N 2 2 321.371 3.952 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266891598 526067223 /nfs/dbraw/zinc/06/72/23/526067223.db2.gz DCCUCIKAILTJKD-TZMCWYRMSA-N 2 2 321.371 3.952 20 0 DHADLP C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000265084329 526135352 /nfs/dbraw/zinc/13/53/52/526135352.db2.gz SFSUPAIQMGFNBA-KZNAEPCWSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1cccnc1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000265084329 526135358 /nfs/dbraw/zinc/13/53/58/526135358.db2.gz SFSUPAIQMGFNBA-KZNAEPCWSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1cccnc1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000265084329 526135366 /nfs/dbraw/zinc/13/53/66/526135366.db2.gz SFSUPAIQMGFNBA-KZNAEPCWSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1cccnc1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000265084329 526135371 /nfs/dbraw/zinc/13/53/71/526135371.db2.gz SFSUPAIQMGFNBA-KZNAEPCWSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000266990328 526180530 /nfs/dbraw/zinc/18/05/30/526180530.db2.gz ANYAJHSATIXVQN-ZDUSSCGKSA-N 2 2 302.422 3.567 20 0 DHADLP FC1(c2ccc(Cl)cc2)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000337227725 526279893 /nfs/dbraw/zinc/27/98/93/526279893.db2.gz SFCIOUHYFULVML-UHFFFAOYSA-N 2 2 321.827 3.887 20 0 DHADLP FCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000338005749 526285386 /nfs/dbraw/zinc/28/53/86/526285386.db2.gz YORMDKQUYWRUJB-RTBURBONSA-N 2 2 315.436 3.939 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000337348403 526548590 /nfs/dbraw/zinc/54/85/90/526548590.db2.gz YYVSZYOXKGDFJN-QRQLOZEOSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@H]3CC[N@H+](C4CCCC4)C3)C2)c1 ZINC000337348403 526548596 /nfs/dbraw/zinc/54/85/96/526548596.db2.gz YYVSZYOXKGDFJN-QRQLOZEOSA-N 2 2 313.489 3.714 20 0 DHADLP c1coc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cs2)c1 ZINC000267386629 526562568 /nfs/dbraw/zinc/56/25/68/526562568.db2.gz BVJCQUUNTIULDC-GFCCVEGCSA-N 2 2 314.414 3.506 20 0 DHADLP c1coc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cs2)c1 ZINC000267386629 526562570 /nfs/dbraw/zinc/56/25/70/526562570.db2.gz BVJCQUUNTIULDC-GFCCVEGCSA-N 2 2 314.414 3.506 20 0 DHADLP Cc1sccc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000339180113 526913736 /nfs/dbraw/zinc/91/37/36/526913736.db2.gz ADECZFMIZGHFCR-UHFFFAOYSA-N 2 2 311.454 3.634 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000363822813 526965797 /nfs/dbraw/zinc/96/57/97/526965797.db2.gz LXSFUXMAUROWFO-QGZVFWFLSA-N 2 2 324.815 3.698 20 0 DHADLP Clc1ccc2[nH+]ccc(N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000265093524 526970583 /nfs/dbraw/zinc/97/05/83/526970583.db2.gz BHPRNJBHWRFWBC-UHFFFAOYSA-N 2 2 312.804 3.995 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338281442 527441513 /nfs/dbraw/zinc/44/15/13/527441513.db2.gz DOTUTNJUMNPBCM-GJZGRUSLSA-N 2 2 311.420 3.500 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338281442 527441520 /nfs/dbraw/zinc/44/15/20/527441520.db2.gz DOTUTNJUMNPBCM-GJZGRUSLSA-N 2 2 311.420 3.500 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338281446 527444419 /nfs/dbraw/zinc/44/44/19/527444419.db2.gz DOTUTNJUMNPBCM-HUUCEWRRSA-N 2 2 311.420 3.500 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338281446 527444424 /nfs/dbraw/zinc/44/44/24/527444424.db2.gz DOTUTNJUMNPBCM-HUUCEWRRSA-N 2 2 311.420 3.500 20 0 DHADLP CCc1ccccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272913789 535939682 /nfs/dbraw/zinc/93/96/82/535939682.db2.gz QVUBZNQFEOEUIE-UHFFFAOYSA-N 2 2 314.395 3.755 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000277112034 536138076 /nfs/dbraw/zinc/13/80/76/536138076.db2.gz HEHCHUUDCHYTSW-HNNXBMFYSA-N 2 2 300.368 3.622 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000277112034 536138084 /nfs/dbraw/zinc/13/80/84/536138084.db2.gz HEHCHUUDCHYTSW-HNNXBMFYSA-N 2 2 300.368 3.622 20 0 DHADLP Cc1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1C ZINC001164622633 719072391 /nfs/dbraw/zinc/07/23/91/719072391.db2.gz INWNYYQGXMMDAO-UXHICEINSA-N 2 2 321.468 3.799 20 0 DHADLP Cc1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1C ZINC001164622633 719072395 /nfs/dbraw/zinc/07/23/95/719072395.db2.gz INWNYYQGXMMDAO-UXHICEINSA-N 2 2 321.468 3.799 20 0 DHADLP Cc1c[nH+]c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1C ZINC001164629308 719101942 /nfs/dbraw/zinc/10/19/42/719101942.db2.gz RTCMDSMAOQOODG-WOJBJXKFSA-N 2 2 321.468 3.799 20 0 DHADLP Cc1c[nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1C ZINC001164629308 719101949 /nfs/dbraw/zinc/10/19/49/719101949.db2.gz RTCMDSMAOQOODG-WOJBJXKFSA-N 2 2 321.468 3.799 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000339905792 1013053089 /nfs/dbraw/zinc/05/30/89/1013053089.db2.gz DDBYGJMKWMELOY-NSHDSACASA-N 2 2 310.228 3.716 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000339905792 1013053106 /nfs/dbraw/zinc/05/31/06/1013053106.db2.gz DDBYGJMKWMELOY-NSHDSACASA-N 2 2 310.228 3.716 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)CC[N@@H+]1C ZINC000180437747 1013089374 /nfs/dbraw/zinc/08/93/74/1013089374.db2.gz UCTWOFIIRDMIPA-HZPDHXFCSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)CC[N@H+]1C ZINC000180437747 1013089388 /nfs/dbraw/zinc/08/93/88/1013089388.db2.gz UCTWOFIIRDMIPA-HZPDHXFCSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)CC[NH+]1C ZINC000180437747 1013089401 /nfs/dbraw/zinc/08/94/01/1013089401.db2.gz UCTWOFIIRDMIPA-HZPDHXFCSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)CC[NH+]1C ZINC000180437747 1013089417 /nfs/dbraw/zinc/08/94/17/1013089417.db2.gz UCTWOFIIRDMIPA-HZPDHXFCSA-N 2 2 314.429 3.986 20 0 DHADLP Fc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1Cl ZINC001167965654 1013270562 /nfs/dbraw/zinc/27/05/62/1013270562.db2.gz JLFWZTYDVAUKQJ-MQVJKMGUSA-N 2 2 322.855 3.974 20 0 DHADLP Fc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1Cl ZINC001167965654 1013270569 /nfs/dbraw/zinc/27/05/69/1013270569.db2.gz JLFWZTYDVAUKQJ-MQVJKMGUSA-N 2 2 322.855 3.974 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]Cc2scnc2C2CC2)c[nH+]1 ZINC000348188960 1013299294 /nfs/dbraw/zinc/29/92/94/1013299294.db2.gz VMCHQLJTVPIUDJ-UHFFFAOYSA-N 2 2 324.453 3.555 20 0 DHADLP C[C@H]([NH2+]CC1CCSCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000638689594 1013309289 /nfs/dbraw/zinc/30/92/89/1013309289.db2.gz MJAWCWVQEQPZEH-AWEZNQCLSA-N 2 2 301.459 3.666 20 0 DHADLP CC(C)c1ccc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)[nH+]c1 ZINC001167161137 1013342142 /nfs/dbraw/zinc/34/21/42/1013342142.db2.gz XDIBRILLMFOAJJ-UHFFFAOYSA-N 2 2 321.468 3.846 20 0 DHADLP C[C@@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000237340122 1013502440 /nfs/dbraw/zinc/50/24/40/1013502440.db2.gz DBBXCGKSNLUQNB-SFHVURJKSA-N 2 2 319.452 3.867 20 0 DHADLP C[C@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000237519239 1013532559 /nfs/dbraw/zinc/53/25/59/1013532559.db2.gz DBBXCGKSNLUQNB-GOSISDBHSA-N 2 2 319.452 3.867 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000519867353 1013617226 /nfs/dbraw/zinc/61/72/26/1013617226.db2.gz RYJDHJHSEQQCHI-FQEVSTJZSA-N 2 2 318.424 3.913 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000519867353 1013617231 /nfs/dbraw/zinc/61/72/31/1013617231.db2.gz RYJDHJHSEQQCHI-FQEVSTJZSA-N 2 2 318.424 3.913 20 0 DHADLP Cc1ccc(-c2ccc(C[NH2+]CC(C)(C)C[NH+](C)C)o2)cc1 ZINC000520190212 1013672423 /nfs/dbraw/zinc/67/24/23/1013672423.db2.gz NHIZFDZIGUNKMA-UHFFFAOYSA-N 2 2 300.446 3.932 20 0 DHADLP c1cc2cc(CC[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)ccc2[nH]1 ZINC000441198080 1013684709 /nfs/dbraw/zinc/68/47/09/1013684709.db2.gz BRIWJJCXWYJBBY-UHFFFAOYSA-N 2 2 322.437 3.747 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655759592 1013690533 /nfs/dbraw/zinc/69/05/33/1013690533.db2.gz PCIIWNMZNPCGID-ZBFHGGJFSA-N 2 2 322.880 3.634 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000441349524 1013723519 /nfs/dbraw/zinc/72/35/19/1013723519.db2.gz FYADFFSFMAOGCQ-OALUTQOASA-N 2 2 322.537 3.826 20 0 DHADLP CC(C)[C@H]1C[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000441349528 1013724310 /nfs/dbraw/zinc/72/43/10/1013724310.db2.gz FYADFFSFMAOGCQ-RTBURBONSA-N 2 2 322.537 3.826 20 0 DHADLP CO[C@H]1CC[N@H+](Cc2ccc(C3CCCCC3)cc2)[C@H](C[NH3+])C1 ZINC000520407572 1013731761 /nfs/dbraw/zinc/73/17/61/1013731761.db2.gz IOMWAHIORWKGKA-PMACEKPBSA-N 2 2 316.489 3.672 20 0 DHADLP CO[C@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)[C@H](C[NH3+])C1 ZINC000520407572 1013731766 /nfs/dbraw/zinc/73/17/66/1013731766.db2.gz IOMWAHIORWKGKA-PMACEKPBSA-N 2 2 316.489 3.672 20 0 DHADLP C[C@@H](Cc1ccccn1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000655832430 1013748199 /nfs/dbraw/zinc/74/81/99/1013748199.db2.gz XAZAWNXEJNUDJG-FXAWDEMLSA-N 2 2 323.484 3.655 20 0 DHADLP C[C@@H](Cc1ccccn1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000655832430 1013748203 /nfs/dbraw/zinc/74/82/03/1013748203.db2.gz XAZAWNXEJNUDJG-FXAWDEMLSA-N 2 2 323.484 3.655 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1OC(F)F ZINC000655848345 1013773896 /nfs/dbraw/zinc/77/38/96/1013773896.db2.gz HUEGTAFZNJAAPR-IMJJTQAJSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1OC(F)F ZINC000655848345 1013773901 /nfs/dbraw/zinc/77/39/01/1013773901.db2.gz HUEGTAFZNJAAPR-IMJJTQAJSA-N 2 2 324.415 3.956 20 0 DHADLP CCc1noc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000340441399 1013795575 /nfs/dbraw/zinc/79/55/75/1013795575.db2.gz WLHGNNPBKMRMSX-WMLDXEAASA-N 2 2 319.493 3.678 20 0 DHADLP C[C@H]1C[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000683693756 1013865061 /nfs/dbraw/zinc/86/50/61/1013865061.db2.gz CQEZBMOZHLJESZ-YJBOKZPZSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@H]1C[C@@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000683693756 1013865065 /nfs/dbraw/zinc/86/50/65/1013865065.db2.gz CQEZBMOZHLJESZ-YJBOKZPZSA-N 2 2 324.472 3.781 20 0 DHADLP Cc1csc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000316113281 1013877971 /nfs/dbraw/zinc/87/79/71/1013877971.db2.gz OOQODXUADPJGOE-AWEZNQCLSA-N 2 2 312.442 3.531 20 0 DHADLP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)oc1C ZINC001204532274 1014083389 /nfs/dbraw/zinc/08/33/89/1014083389.db2.gz CNYFXBGJFUTWOO-LJQANCHMSA-N 2 2 312.457 3.850 20 0 DHADLP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)oc1C ZINC001204532274 1014083392 /nfs/dbraw/zinc/08/33/92/1014083392.db2.gz CNYFXBGJFUTWOO-LJQANCHMSA-N 2 2 312.457 3.850 20 0 DHADLP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)oc1C ZINC001204532274 1014083394 /nfs/dbraw/zinc/08/33/94/1014083394.db2.gz CNYFXBGJFUTWOO-LJQANCHMSA-N 2 2 312.457 3.850 20 0 DHADLP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)oc1C ZINC001204532274 1014083398 /nfs/dbraw/zinc/08/33/98/1014083398.db2.gz CNYFXBGJFUTWOO-LJQANCHMSA-N 2 2 312.457 3.850 20 0 DHADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1c1ccccc1 ZINC000262002202 1014224129 /nfs/dbraw/zinc/22/41/29/1014224129.db2.gz UDQACSDWTFKPIG-DLBZAZTESA-N 2 2 302.368 3.551 20 0 DHADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1c1ccccc1 ZINC000262002202 1014224136 /nfs/dbraw/zinc/22/41/36/1014224136.db2.gz UDQACSDWTFKPIG-DLBZAZTESA-N 2 2 302.368 3.551 20 0 DHADLP Cc1cccc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)[nH+]1 ZINC000077316704 1014240211 /nfs/dbraw/zinc/24/02/11/1014240211.db2.gz OTRCBSWABKVVSX-UHFFFAOYSA-N 2 2 317.383 3.745 20 0 DHADLP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177806435 1014331948 /nfs/dbraw/zinc/33/19/48/1014331948.db2.gz CTXLGFOHHYGWKJ-AWEZNQCLSA-N 2 2 303.475 3.882 20 0 DHADLP Cc1nocc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006999 1014425704 /nfs/dbraw/zinc/42/57/04/1014425704.db2.gz QEEGFFKRVHINBQ-CCWDJLKJSA-N 2 2 313.445 3.514 20 0 DHADLP Cc1nocc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168006999 1014425706 /nfs/dbraw/zinc/42/57/06/1014425706.db2.gz QEEGFFKRVHINBQ-CCWDJLKJSA-N 2 2 313.445 3.514 20 0 DHADLP Cc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC000895111122 1014438174 /nfs/dbraw/zinc/43/81/74/1014438174.db2.gz MSVFOJPJKKPNJU-SHTZXODSSA-N 2 2 301.459 3.728 20 0 DHADLP COC1(C[C@H](C)N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCC1 ZINC000895112780 1014445570 /nfs/dbraw/zinc/44/55/70/1014445570.db2.gz RXPMNQZXWLBOGG-ULQDDVLXSA-N 2 2 317.477 3.506 20 0 DHADLP C[C@@H](CCc1cccnc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895116788 1014449667 /nfs/dbraw/zinc/44/96/67/1014449667.db2.gz UALGDHUXXIMLKH-WDSOQIARSA-N 2 2 324.472 3.574 20 0 DHADLP Cc1oncc1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009128 1014483906 /nfs/dbraw/zinc/48/39/06/1014483906.db2.gz YRCQDSHFTFTEPV-GJZGRUSLSA-N 2 2 313.445 3.514 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427839560 1014536624 /nfs/dbraw/zinc/53/66/24/1014536624.db2.gz FAHHPTNCYIKZIJ-OCCSQVGLSA-N 2 2 319.836 3.601 20 0 DHADLP Fc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCCC2)cc1 ZINC000427850857 1014538563 /nfs/dbraw/zinc/53/85/63/1014538563.db2.gz QKENWKKEAROXSW-HKUYNNGSSA-N 2 2 313.420 3.858 20 0 DHADLP C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427887404 1014547104 /nfs/dbraw/zinc/54/71/04/1014547104.db2.gz AWYPUXUVSSMKLK-MVJVIOSPSA-N 2 2 313.489 3.783 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000427891060 1014549906 /nfs/dbraw/zinc/54/99/06/1014549906.db2.gz KYHNRAFPDZELRT-HOCLYGCPSA-N 2 2 313.470 3.641 20 0 DHADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cs1 ZINC000665252618 1014568043 /nfs/dbraw/zinc/56/80/43/1014568043.db2.gz USDKJQVMPUWMKL-BMGDILEWSA-N 2 2 300.471 3.853 20 0 DHADLP CC(C)OC1CC([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000428098186 1014576638 /nfs/dbraw/zinc/57/66/38/1014576638.db2.gz UDCCAQWXANJPJW-ZLPCBKJTSA-N 2 2 304.478 3.661 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116547 1014649184 /nfs/dbraw/zinc/64/91/84/1014649184.db2.gz PJDDYLPOHOFYBJ-CZUORRHYSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116547 1014649192 /nfs/dbraw/zinc/64/91/92/1014649192.db2.gz PJDDYLPOHOFYBJ-CZUORRHYSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116547 1014649201 /nfs/dbraw/zinc/64/92/01/1014649201.db2.gz PJDDYLPOHOFYBJ-CZUORRHYSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(C2CCCC2)s1 ZINC000521116547 1014649206 /nfs/dbraw/zinc/64/92/06/1014649206.db2.gz PJDDYLPOHOFYBJ-CZUORRHYSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@@H]1[C@H]([NH2+]CC[C@H]2CC2(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000621768755 1014653526 /nfs/dbraw/zinc/65/35/26/1014653526.db2.gz UNYNOVGGGCGTBA-HYVNUMGLSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1[C@H]([NH2+]CC[C@H]2CC2(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000621768755 1014653531 /nfs/dbraw/zinc/65/35/31/1014653531.db2.gz UNYNOVGGGCGTBA-HYVNUMGLSA-N 2 2 308.416 3.674 20 0 DHADLP Clc1ccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CC2)cc1Cl ZINC000665279164 1014658234 /nfs/dbraw/zinc/65/82/34/1014658234.db2.gz YFQVBPXRCAOTSS-KRSWERPXSA-N 2 2 311.256 3.786 20 0 DHADLP COc1cccc2c1[nH+]cc(C)c2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000276142694 1014720298 /nfs/dbraw/zinc/72/02/98/1014720298.db2.gz CQPCRVIQLVLDDE-UHFFFAOYSA-N 2 2 322.412 3.659 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000442785358 1014730833 /nfs/dbraw/zinc/73/08/33/1014730833.db2.gz UAAQHJFNNKPOQG-HIFRSBDPSA-N 2 2 315.486 3.542 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000442785358 1014730843 /nfs/dbraw/zinc/73/08/43/1014730843.db2.gz UAAQHJFNNKPOQG-HIFRSBDPSA-N 2 2 315.486 3.542 20 0 DHADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000665295398 1014743048 /nfs/dbraw/zinc/74/30/48/1014743048.db2.gz DAFOSHDQEVBKRO-UKRRQHHQSA-N 2 2 315.486 3.693 20 0 DHADLP C[C@@H](CC[NH2+][C@H]1CCc2c1nccc2Cl)[NH+]1CCCCC1 ZINC000926144422 1014782183 /nfs/dbraw/zinc/78/21/83/1014782183.db2.gz PULILXSJOOCDBH-BBRMVZONSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000581554671 1014991315 /nfs/dbraw/zinc/99/13/15/1014991315.db2.gz TUUVKUIBVJUDEL-ZFWWWQNUSA-N 2 2 315.848 3.951 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)c1ccccc1 ZINC000581598396 1015034530 /nfs/dbraw/zinc/03/45/30/1015034530.db2.gz GFYSKMUNRPFPBB-QXAKKESOSA-N 2 2 304.478 3.617 20 0 DHADLP CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000313403411 1015074751 /nfs/dbraw/zinc/07/47/51/1015074751.db2.gz WYQRFNBRSWZYTN-SFHVURJKSA-N 2 2 301.478 3.999 20 0 DHADLP Fc1ccc2c(c1)[nH+]ccc2N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895352087 1015087442 /nfs/dbraw/zinc/08/74/42/1015087442.db2.gz JRUFDWZBRCXCRF-UHFFFAOYSA-N 2 2 322.387 3.850 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)CCC2 ZINC000581701015 1015244335 /nfs/dbraw/zinc/24/43/35/1015244335.db2.gz FNQGRRBXVWJQLV-HNNXBMFYSA-N 2 2 305.372 3.796 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000895707319 1015266677 /nfs/dbraw/zinc/26/66/77/1015266677.db2.gz QIJMLBOLJPLEQF-FQEVSTJZSA-N 2 2 320.440 3.550 20 0 DHADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000581726482 1015276671 /nfs/dbraw/zinc/27/66/71/1015276671.db2.gz OUTMAQKUDPVNGT-YOEHRIQHSA-N 2 2 313.470 3.587 20 0 DHADLP Cc1ccccc1C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccn1 ZINC000581827439 1015351439 /nfs/dbraw/zinc/35/14/39/1015351439.db2.gz RIRPDPXQHXJHLM-OAQYLSRUSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1ccccc1C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccn1 ZINC000581827439 1015351451 /nfs/dbraw/zinc/35/14/51/1015351451.db2.gz RIRPDPXQHXJHLM-OAQYLSRUSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1ccccc1C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccn1 ZINC000581827439 1015351461 /nfs/dbraw/zinc/35/14/61/1015351461.db2.gz RIRPDPXQHXJHLM-OAQYLSRUSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1ccccc1C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccn1 ZINC000581827439 1015351463 /nfs/dbraw/zinc/35/14/63/1015351463.db2.gz RIRPDPXQHXJHLM-OAQYLSRUSA-N 2 2 323.484 3.877 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000474458000 1015376285 /nfs/dbraw/zinc/37/62/85/1015376285.db2.gz HDADMKUSYPBZQM-BBWFWOEESA-N 2 2 304.478 3.651 20 0 DHADLP c1ccc([C@@H]2C[C@@H]2C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000896195751 1015497019 /nfs/dbraw/zinc/49/70/19/1015497019.db2.gz QAZKACQAJBYAIE-MJGOQNOKSA-N 2 2 307.441 3.762 20 0 DHADLP CSc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000896194552 1015503872 /nfs/dbraw/zinc/50/38/72/1015503872.db2.gz CRDHIWKQZZETQU-UHFFFAOYSA-N 2 2 319.499 3.942 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1cccnc1 ZINC000896723747 1015714066 /nfs/dbraw/zinc/71/40/66/1015714066.db2.gz UBFFVNWDNSYGST-GOSISDBHSA-N 2 2 317.864 3.560 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000443856157 1015773084 /nfs/dbraw/zinc/77/30/84/1015773084.db2.gz RKLUXFRJUWTSCG-CJNGLKHVSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000443856157 1015773090 /nfs/dbraw/zinc/77/30/90/1015773090.db2.gz RKLUXFRJUWTSCG-CJNGLKHVSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000443856157 1015773092 /nfs/dbraw/zinc/77/30/92/1015773092.db2.gz RKLUXFRJUWTSCG-CJNGLKHVSA-N 2 2 312.379 3.540 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000443856157 1015773095 /nfs/dbraw/zinc/77/30/95/1015773095.db2.gz RKLUXFRJUWTSCG-CJNGLKHVSA-N 2 2 312.379 3.540 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000133157605 1015775115 /nfs/dbraw/zinc/77/51/15/1015775115.db2.gz LOEVXGWQZHOQMD-GFCCVEGCSA-N 2 2 304.821 3.660 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000133157605 1015775119 /nfs/dbraw/zinc/77/51/19/1015775119.db2.gz LOEVXGWQZHOQMD-GFCCVEGCSA-N 2 2 304.821 3.660 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341869820 1015781819 /nfs/dbraw/zinc/78/18/19/1015781819.db2.gz AKVGNDAZHOQIOY-NSHGMRRFSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341869820 1015781824 /nfs/dbraw/zinc/78/18/24/1015781824.db2.gz AKVGNDAZHOQIOY-NSHGMRRFSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1CCC[C@H](C)[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341869820 1015781830 /nfs/dbraw/zinc/78/18/30/1015781830.db2.gz AKVGNDAZHOQIOY-NSHGMRRFSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1CCC[C@H](C)[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341869820 1015781834 /nfs/dbraw/zinc/78/18/34/1015781834.db2.gz AKVGNDAZHOQIOY-NSHGMRRFSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341869813 1015782329 /nfs/dbraw/zinc/78/23/29/1015782329.db2.gz AKVGNDAZHOQIOY-GGPKGHCWSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341869813 1015782332 /nfs/dbraw/zinc/78/23/32/1015782332.db2.gz AKVGNDAZHOQIOY-GGPKGHCWSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccnc(-c2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000629551058 1015811013 /nfs/dbraw/zinc/81/10/13/1015811013.db2.gz RFDPHADHYRQEJG-MOPGFXCFSA-N 2 2 309.457 3.759 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(F)cccc1F ZINC000277068024 1015862029 /nfs/dbraw/zinc/86/20/29/1015862029.db2.gz DMVQLAYOSMAYQT-UHFFFAOYSA-N 2 2 307.388 3.636 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(F)cccc1F ZINC000277068024 1015862038 /nfs/dbraw/zinc/86/20/38/1015862038.db2.gz DMVQLAYOSMAYQT-UHFFFAOYSA-N 2 2 307.388 3.636 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCn1cc[nH+]c1 ZINC000342083429 1015954433 /nfs/dbraw/zinc/95/44/33/1015954433.db2.gz LZSZLBJBBTZDIV-UKTHLTGXSA-N 2 2 309.335 3.595 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1sc(C(C)C)nc1C)C2 ZINC000150967166 1016002300 /nfs/dbraw/zinc/00/23/00/1016002300.db2.gz KBHFSOGBSHLJDS-TZMCWYRMSA-N 2 2 318.490 3.745 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](Cc1ccc(F)cc1)C(C)C)C2 ZINC000151001235 1016010436 /nfs/dbraw/zinc/01/04/36/1016010436.db2.gz IGSLLYVQYKUQNG-QZTJIDSGSA-N 2 2 315.436 3.502 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)C2 ZINC000151017018 1016011820 /nfs/dbraw/zinc/01/18/20/1016011820.db2.gz BUHGVZGYWASTSF-SWLSCSKDSA-N 2 2 323.362 3.876 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000151012950 1016011892 /nfs/dbraw/zinc/01/18/92/1016011892.db2.gz YPBWYUBHTFSZHE-WBVHZDCISA-N 2 2 323.440 3.542 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(Cl)sc1Cl ZINC000151128084 1016022135 /nfs/dbraw/zinc/02/21/35/1016022135.db2.gz PEHYIBMRORBIJS-VIFPVBQESA-N 2 2 304.246 3.992 20 0 DHADLP CC[C@@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)c1ccc(OC)c(OC)c1 ZINC000151678399 1016125795 /nfs/dbraw/zinc/12/57/95/1016125795.db2.gz APRNPEUDSKUNTE-DLBZAZTESA-N 2 2 320.477 3.619 20 0 DHADLP Fc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1C(F)F ZINC000892098470 1016218192 /nfs/dbraw/zinc/21/81/92/1016218192.db2.gz DTLKUYUGQNITCQ-CQSZACIVSA-N 2 2 312.379 3.681 20 0 DHADLP Fc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1C(F)F ZINC000892098470 1016218196 /nfs/dbraw/zinc/21/81/96/1016218196.db2.gz DTLKUYUGQNITCQ-CQSZACIVSA-N 2 2 312.379 3.681 20 0 DHADLP C[C@@H]([NH2+]CCOC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336864820 1016727697 /nfs/dbraw/zinc/72/76/97/1016727697.db2.gz AYBXHTNBKMIKFC-MRXNPFEDSA-N 2 2 313.445 3.872 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243844 1016746645 /nfs/dbraw/zinc/74/66/45/1016746645.db2.gz OXAAHFXVUSAUPN-CYBMUJFWSA-N 2 2 321.371 3.883 20 0 DHADLP c1csc(-c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cc2)c1 ZINC000657470328 1016943369 /nfs/dbraw/zinc/94/33/69/1016943369.db2.gz PZBXOVRVACQOMQ-OAHLLOKOSA-N 2 2 309.438 3.785 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1Cl ZINC000152757567 1016990960 /nfs/dbraw/zinc/99/09/60/1016990960.db2.gz UGQZRHBJTYBPIN-GFCCVEGCSA-N 2 2 321.827 3.905 20 0 DHADLP c1ccc(NCCCC[NH2+][C@H]2CCCNc3ccccc32)[nH+]c1 ZINC000192812447 1017009439 /nfs/dbraw/zinc/00/94/39/1017009439.db2.gz BPAAVNXLWGEMDK-SFHVURJKSA-N 2 2 310.445 3.810 20 0 DHADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cs1 ZINC000623381116 1017012583 /nfs/dbraw/zinc/01/25/83/1017012583.db2.gz BKXCJEMIFZFHEY-UHFFFAOYSA-N 2 2 318.408 3.873 20 0 DHADLP Clc1ccccc1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000623434885 1017045280 /nfs/dbraw/zinc/04/52/80/1017045280.db2.gz HGNZHNMUWNPCIE-UHFFFAOYSA-N 2 2 306.881 3.833 20 0 DHADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000361931787 1032161181 /nfs/dbraw/zinc/16/11/81/1032161181.db2.gz YVGXWTHDAJCBOY-MRXNPFEDSA-N 2 2 305.372 3.903 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623470806 1032216280 /nfs/dbraw/zinc/21/62/80/1032216280.db2.gz CJEMZMUOYLGPMF-HNNXBMFYSA-N 2 2 310.869 3.701 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623470806 1032216297 /nfs/dbraw/zinc/21/62/97/1032216297.db2.gz CJEMZMUOYLGPMF-HNNXBMFYSA-N 2 2 310.869 3.701 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000362158508 1032253028 /nfs/dbraw/zinc/25/30/28/1032253028.db2.gz YEMSEQCIFKUMBC-NQIIRXRSSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000362158508 1032253037 /nfs/dbraw/zinc/25/30/37/1032253037.db2.gz YEMSEQCIFKUMBC-NQIIRXRSSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ccncc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000362158508 1032253043 /nfs/dbraw/zinc/25/30/43/1032253043.db2.gz YEMSEQCIFKUMBC-NQIIRXRSSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ccncc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000362158508 1032253050 /nfs/dbraw/zinc/25/30/50/1032253050.db2.gz YEMSEQCIFKUMBC-NQIIRXRSSA-N 2 2 323.484 3.732 20 0 DHADLP COc1cccc2cc([C@@H](C)[NH2+]C3CC[NH+](C4CC4)CC3)oc21 ZINC000192838014 1017073077 /nfs/dbraw/zinc/07/30/77/1017073077.db2.gz JQSJYUHQVKROPT-CYBMUJFWSA-N 2 2 314.429 3.719 20 0 DHADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090762846 1032417379 /nfs/dbraw/zinc/41/73/79/1032417379.db2.gz DTFIRGKSUQRZSL-KGLIPLIRSA-N 2 2 324.428 3.931 20 0 DHADLP c1[nH+]c2cc(NC[C@@H]3CCCC[NH2+]3)ccc2n1-c1ccccc1 ZINC001171335321 1032423183 /nfs/dbraw/zinc/42/31/83/1032423183.db2.gz VUKVKDCNUFOCES-INIZCTEOSA-N 2 2 306.413 3.580 20 0 DHADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000477927536 1033369923 /nfs/dbraw/zinc/36/99/23/1033369923.db2.gz OMQCZJNYEKUDKZ-SLEUVZQESA-N 2 2 316.367 3.576 20 0 DHADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000477927536 1033369940 /nfs/dbraw/zinc/36/99/40/1033369940.db2.gz OMQCZJNYEKUDKZ-SLEUVZQESA-N 2 2 316.367 3.576 20 0 DHADLP COc1cccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121619248 1032456396 /nfs/dbraw/zinc/45/63/96/1032456396.db2.gz BNENNVFRQZANED-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP COc1cccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121619248 1032456406 /nfs/dbraw/zinc/45/64/06/1032456406.db2.gz BNENNVFRQZANED-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP Cc1ncsc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000092588049 1032503124 /nfs/dbraw/zinc/50/31/24/1032503124.db2.gz YQHLJMABMKDSJL-HOCLYGCPSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncsc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000092588049 1032503134 /nfs/dbraw/zinc/50/31/34/1032503134.db2.gz YQHLJMABMKDSJL-HOCLYGCPSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncsc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000092588049 1032503141 /nfs/dbraw/zinc/50/31/41/1032503141.db2.gz YQHLJMABMKDSJL-HOCLYGCPSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncsc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000092588049 1032503151 /nfs/dbraw/zinc/50/31/51/1032503151.db2.gz YQHLJMABMKDSJL-HOCLYGCPSA-N 2 2 307.507 3.538 20 0 DHADLP CCc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000093016530 1032521155 /nfs/dbraw/zinc/52/11/55/1032521155.db2.gz FFFZRHDXNGOROM-MRXNPFEDSA-N 2 2 321.534 3.794 20 0 DHADLP CCc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000093016530 1032521164 /nfs/dbraw/zinc/52/11/64/1032521164.db2.gz FFFZRHDXNGOROM-MRXNPFEDSA-N 2 2 321.534 3.794 20 0 DHADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000093564216 1032546220 /nfs/dbraw/zinc/54/62/20/1032546220.db2.gz UEESZWJNOPXGMJ-MRXNPFEDSA-N 2 2 321.534 3.792 20 0 DHADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000093564216 1032546225 /nfs/dbraw/zinc/54/62/25/1032546225.db2.gz UEESZWJNOPXGMJ-MRXNPFEDSA-N 2 2 321.534 3.792 20 0 DHADLP C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000125079496 1032673954 /nfs/dbraw/zinc/67/39/54/1032673954.db2.gz OMCLRDUNTHZGJL-MRXNPFEDSA-N 2 2 321.424 3.689 20 0 DHADLP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)cc1Cl ZINC001206809545 1012992446 /nfs/dbraw/zinc/99/24/46/1012992446.db2.gz LTFYEZAQFZUUEZ-VXGBXAGGSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)cc1Cl ZINC001206809545 1012992454 /nfs/dbraw/zinc/99/24/54/1012992454.db2.gz LTFYEZAQFZUUEZ-VXGBXAGGSA-N 2 2 301.261 3.861 20 0 DHADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000037320291 1013003389 /nfs/dbraw/zinc/00/33/89/1013003389.db2.gz PFJUTLHPTWVMID-SWLSCSKDSA-N 2 2 322.250 3.775 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037320439 1013007600 /nfs/dbraw/zinc/00/76/00/1013007600.db2.gz AJMNYFAPLTXMKM-NEPJUHHUSA-N 2 2 306.479 3.685 20 0 DHADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000623655712 1017155972 /nfs/dbraw/zinc/15/59/72/1017155972.db2.gz CFPREOJBLKCVAO-OAHLLOKOSA-N 2 2 315.486 3.632 20 0 DHADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000623655712 1017155980 /nfs/dbraw/zinc/15/59/80/1017155980.db2.gz CFPREOJBLKCVAO-OAHLLOKOSA-N 2 2 315.486 3.632 20 0 DHADLP C[C@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475359107 1017168918 /nfs/dbraw/zinc/16/89/18/1017168918.db2.gz UQNSXCABCBGOHE-VYESFELBSA-N 2 2 304.400 3.570 20 0 DHADLP Clc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000342759906 1017179457 /nfs/dbraw/zinc/17/94/57/1017179457.db2.gz YMKHGIVCMIBTQB-CZUORRHYSA-N 2 2 301.821 3.930 20 0 DHADLP Clc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000342759906 1017179462 /nfs/dbraw/zinc/17/94/62/1017179462.db2.gz YMKHGIVCMIBTQB-CZUORRHYSA-N 2 2 301.821 3.930 20 0 DHADLP CC[C@H](CCc1ccccc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000623860653 1017535178 /nfs/dbraw/zinc/53/51/78/1017535178.db2.gz AMZBATCFTNCLCT-GOSISDBHSA-N 2 2 311.473 3.763 20 0 DHADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNc1cccc[nH+]1 ZINC000078335916 1017599109 /nfs/dbraw/zinc/59/91/09/1017599109.db2.gz PSHKCANAVXQZPQ-UHFFFAOYSA-N 2 2 307.397 3.919 20 0 DHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1cccc[nH+]1 ZINC000078335916 1017599121 /nfs/dbraw/zinc/59/91/21/1017599121.db2.gz PSHKCANAVXQZPQ-UHFFFAOYSA-N 2 2 307.397 3.919 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)c1 ZINC000624014563 1017637509 /nfs/dbraw/zinc/63/75/09/1017637509.db2.gz AUIKAJDYAPWTHY-PMACEKPBSA-N 2 2 316.489 3.535 20 0 DHADLP COc1ccccc1C[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000195632407 1017686616 /nfs/dbraw/zinc/68/66/16/1017686616.db2.gz NUSKMMSTTYMVMB-UHFFFAOYSA-N 2 2 302.462 3.536 20 0 DHADLP COc1ccccc1C[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000195632407 1017686620 /nfs/dbraw/zinc/68/66/20/1017686620.db2.gz NUSKMMSTTYMVMB-UHFFFAOYSA-N 2 2 302.462 3.536 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658060036 1018004729 /nfs/dbraw/zinc/00/47/29/1018004729.db2.gz CNMUEUALLHGEAS-JKSUJKDBSA-N 2 2 306.413 3.722 20 0 DHADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000390210986 1018053385 /nfs/dbraw/zinc/05/33/85/1018053385.db2.gz DQNGIVYNWPUZDV-GOSISDBHSA-N 2 2 308.469 3.892 20 0 DHADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000153885996 1018060128 /nfs/dbraw/zinc/06/01/28/1018060128.db2.gz UUJPPUOMRNOZNF-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000153885996 1018060139 /nfs/dbraw/zinc/06/01/39/1018060139.db2.gz UUJPPUOMRNOZNF-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000153885996 1018060154 /nfs/dbraw/zinc/06/01/54/1018060154.db2.gz UUJPPUOMRNOZNF-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000153885996 1018060170 /nfs/dbraw/zinc/06/01/70/1018060170.db2.gz UUJPPUOMRNOZNF-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C2(C)CC2)CCOCC1)c1ccccc1 ZINC000153979823 1018085670 /nfs/dbraw/zinc/08/56/70/1018085670.db2.gz OIEZMCQOVZKJDX-IAGOWNOFSA-N 2 2 316.489 3.665 20 0 DHADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150781671 1018109555 /nfs/dbraw/zinc/10/95/55/1018109555.db2.gz KBWKECUGAROMOV-CQSZACIVSA-N 2 2 312.379 3.623 20 0 DHADLP FC(F)(F)c1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150781671 1018109580 /nfs/dbraw/zinc/10/95/80/1018109580.db2.gz KBWKECUGAROMOV-CQSZACIVSA-N 2 2 312.379 3.623 20 0 DHADLP CC(C)C(C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000193340444 1018138723 /nfs/dbraw/zinc/13/87/23/1018138723.db2.gz UTCUOZQQPOBIQB-XLIONFOSSA-N 2 2 317.521 3.810 20 0 DHADLP CC(C)C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000193340444 1018138728 /nfs/dbraw/zinc/13/87/28/1018138728.db2.gz UTCUOZQQPOBIQB-XLIONFOSSA-N 2 2 317.521 3.810 20 0 DHADLP C[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172873108 1033445102 /nfs/dbraw/zinc/44/51/02/1033445102.db2.gz GBECKGAQNRECHR-KBPBESRZSA-N 2 2 312.910 3.895 20 0 DHADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000525196236 1018199472 /nfs/dbraw/zinc/19/94/72/1018199472.db2.gz RHGAZHLGILENGA-GWCFXTLKSA-N 2 2 317.260 3.574 20 0 DHADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000525196236 1018199478 /nfs/dbraw/zinc/19/94/78/1018199478.db2.gz RHGAZHLGILENGA-GWCFXTLKSA-N 2 2 317.260 3.574 20 0 DHADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000525196238 1018200253 /nfs/dbraw/zinc/20/02/53/1018200253.db2.gz RHGAZHLGILENGA-MFKMUULPSA-N 2 2 317.260 3.574 20 0 DHADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000525196238 1018200260 /nfs/dbraw/zinc/20/02/60/1018200260.db2.gz RHGAZHLGILENGA-MFKMUULPSA-N 2 2 317.260 3.574 20 0 DHADLP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000381232415 1018239900 /nfs/dbraw/zinc/23/99/00/1018239900.db2.gz SUEKLMXPNUDCDP-UHFFFAOYSA-N 2 2 314.498 3.853 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cncc(F)c1 ZINC000155140771 1018250983 /nfs/dbraw/zinc/25/09/83/1018250983.db2.gz KSDTVNICLXXQMA-UONOGXRCSA-N 2 2 310.376 3.818 20 0 DHADLP Cc1ccsc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000447095528 1018333750 /nfs/dbraw/zinc/33/37/50/1018333750.db2.gz YGYXHMRWAWRVQF-UHFFFAOYSA-N 2 2 302.443 3.803 20 0 DHADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427844592 1018337818 /nfs/dbraw/zinc/33/78/18/1018337818.db2.gz OGHLUOUIWBDTTC-FZMZJTMJSA-N 2 2 319.861 3.678 20 0 DHADLP c1c[nH+]c(-c2ccc(Nc3c[nH+]ccc3N3CCCC3)cc2)[nH]1 ZINC001213087952 1018365150 /nfs/dbraw/zinc/36/51/50/1018365150.db2.gz IPLIWYZRGFCRJT-UHFFFAOYSA-N 2 2 305.385 3.816 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447578897 1018437058 /nfs/dbraw/zinc/43/70/58/1018437058.db2.gz LTHMLEQDABYBAX-BEFAXECRSA-N 2 2 324.472 3.639 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447578897 1018437064 /nfs/dbraw/zinc/43/70/64/1018437064.db2.gz LTHMLEQDABYBAX-BEFAXECRSA-N 2 2 324.472 3.639 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000447899099 1018500146 /nfs/dbraw/zinc/50/01/46/1018500146.db2.gz QJPOEFPPHGNJLH-MJBXVCDLSA-N 2 2 306.416 3.818 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000447899099 1018500158 /nfs/dbraw/zinc/50/01/58/1018500158.db2.gz QJPOEFPPHGNJLH-MJBXVCDLSA-N 2 2 306.416 3.818 20 0 DHADLP COc1ccc([C@@H](C)C[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000447899550 1018500511 /nfs/dbraw/zinc/50/05/11/1018500511.db2.gz UIYHZDIDAYGKRD-MAUKXSAKSA-N 2 2 304.478 3.509 20 0 DHADLP COc1ccc([C@@H](C)C[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000447899550 1018500523 /nfs/dbraw/zinc/50/05/23/1018500523.db2.gz UIYHZDIDAYGKRD-MAUKXSAKSA-N 2 2 304.478 3.509 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]Cc2cnc(C3CC3)s2)c[nH+]1 ZINC000675551803 1018524058 /nfs/dbraw/zinc/52/40/58/1018524058.db2.gz VHZZQICDFUIPGF-UHFFFAOYSA-N 2 2 324.453 3.555 20 0 DHADLP C[NH+]1CCC(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000892340796 1018524037 /nfs/dbraw/zinc/52/40/37/1018524037.db2.gz XVPBTCAZXSCTRY-UHFFFAOYSA-N 2 2 324.472 3.640 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCc3occc32)c[nH+]1 ZINC000278356182 1018604227 /nfs/dbraw/zinc/60/42/27/1018604227.db2.gz ZZYDZTFFBJETQN-GOSISDBHSA-N 2 2 307.397 3.692 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc12 ZINC000675834506 1018607473 /nfs/dbraw/zinc/60/74/73/1018607473.db2.gz VBIWRXWXYAHGIB-NVXWUHKLSA-N 2 2 324.468 3.983 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc12 ZINC000675834506 1018607477 /nfs/dbraw/zinc/60/74/77/1018607477.db2.gz VBIWRXWXYAHGIB-NVXWUHKLSA-N 2 2 324.468 3.983 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)cc1 ZINC000765255081 1018737054 /nfs/dbraw/zinc/73/70/54/1018737054.db2.gz PDJKSEFAAHSQLQ-GVDBMIGSSA-N 2 2 304.478 3.651 20 0 DHADLP c1cn(C2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)c[nH+]1 ZINC000171942707 1018847034 /nfs/dbraw/zinc/84/70/34/1018847034.db2.gz AAHJYWNRDVEQTD-UHFFFAOYSA-N 2 2 324.453 3.844 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+](CC)CC)CCO1 ZINC000315895787 1018859118 /nfs/dbraw/zinc/85/91/18/1018859118.db2.gz BYGKAYVRDPZIPK-IPMKNSEASA-N 2 2 304.478 3.617 20 0 DHADLP CC[C@H]1C[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000316803313 1018869318 /nfs/dbraw/zinc/86/93/18/1018869318.db2.gz JBYJHJHZXVUOHN-LRDDRELGSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@@H]1[NH3+] ZINC000316803313 1018869335 /nfs/dbraw/zinc/86/93/35/1018869335.db2.gz JBYJHJHZXVUOHN-LRDDRELGSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@H]1C[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@H]1[NH3+] ZINC000316780387 1018871338 /nfs/dbraw/zinc/87/13/38/1018871338.db2.gz GGGOUAWFAXPCRP-SWLSCSKDSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC[C@H]1[NH3+] ZINC000316780387 1018871356 /nfs/dbraw/zinc/87/13/56/1018871356.db2.gz GGGOUAWFAXPCRP-SWLSCSKDSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000151543439 1018900262 /nfs/dbraw/zinc/90/02/62/1018900262.db2.gz OCEVEMLAOGGFRG-JRPNMDOOSA-N 2 2 301.261 3.812 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000151543439 1018900269 /nfs/dbraw/zinc/90/02/69/1018900269.db2.gz OCEVEMLAOGGFRG-JRPNMDOOSA-N 2 2 301.261 3.812 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccccn2)cc1F ZINC000158793900 1018917255 /nfs/dbraw/zinc/91/72/55/1018917255.db2.gz ASXFVQAULZRQRD-CYBMUJFWSA-N 2 2 310.376 3.566 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccccn2)cc1F ZINC000158793742 1018918945 /nfs/dbraw/zinc/91/89/45/1018918945.db2.gz ASXFVQAULZRQRD-ZDUSSCGKSA-N 2 2 310.376 3.566 20 0 DHADLP CC1(C)C[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C(C)(C)O1 ZINC000922949006 1018932381 /nfs/dbraw/zinc/93/23/81/1018932381.db2.gz OWFFTXACGNXENH-ZDUSSCGKSA-N 2 2 319.474 3.617 20 0 DHADLP Clc1scc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1Cl ZINC000666993927 1032798409 /nfs/dbraw/zinc/79/84/09/1032798409.db2.gz ULCNXMRWRGEVDV-JTQLQIEISA-N 2 2 305.274 3.819 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccn1 ZINC000159215868 1019027322 /nfs/dbraw/zinc/02/73/22/1019027322.db2.gz IQWICDNRGVDTLU-MPGHIAIKSA-N 2 2 315.486 3.877 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccn1 ZINC000159215868 1019027346 /nfs/dbraw/zinc/02/73/46/1019027346.db2.gz IQWICDNRGVDTLU-MPGHIAIKSA-N 2 2 315.486 3.877 20 0 DHADLP Fc1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCCC3)o2)cc1 ZINC000386951301 1019034156 /nfs/dbraw/zinc/03/41/56/1019034156.db2.gz RZNIZVALCLGLIR-UHFFFAOYSA-N 2 2 302.393 3.661 20 0 DHADLP C[C@H](CSC(C)(C)C)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000766163179 1019058703 /nfs/dbraw/zinc/05/87/03/1019058703.db2.gz PKMWAVPWCBGLEY-OAHLLOKOSA-N 2 2 320.546 3.595 20 0 DHADLP C[NH+]1C(C)(C)CC([NH2+][C@H]2COc3ccc(F)cc32)CC1(C)C ZINC001171624845 1032804961 /nfs/dbraw/zinc/80/49/61/1032804961.db2.gz ZPKBOWPPXLYUMY-HNNXBMFYSA-N 2 2 306.425 3.500 20 0 DHADLP c1ccc2sc([C@@H]3CCC[N@H+]3CCC[NH2+]C3CC3)nc2c1 ZINC000923319862 1019125211 /nfs/dbraw/zinc/12/52/11/1019125211.db2.gz QWXWNKOYIUNNRA-HNNXBMFYSA-N 2 2 301.459 3.575 20 0 DHADLP c1ccc2sc([C@@H]3CCC[N@@H+]3CCC[NH2+]C3CC3)nc2c1 ZINC000923319862 1019125223 /nfs/dbraw/zinc/12/52/23/1019125223.db2.gz QWXWNKOYIUNNRA-HNNXBMFYSA-N 2 2 301.459 3.575 20 0 DHADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCCCn1cc[nH+]c1 ZINC000657845111 1019140181 /nfs/dbraw/zinc/14/01/81/1019140181.db2.gz PXFFWWRLHLELMN-KRWDZBQOSA-N 2 2 311.473 3.763 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984998 1019141739 /nfs/dbraw/zinc/14/17/39/1019141739.db2.gz DCCUCIKAILTJKD-JSGCOSHPSA-N 2 2 321.371 3.952 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984998 1019141746 /nfs/dbraw/zinc/14/17/46/1019141746.db2.gz DCCUCIKAILTJKD-JSGCOSHPSA-N 2 2 321.371 3.952 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C(C)(C)C(F)F ZINC000657849828 1019155532 /nfs/dbraw/zinc/15/55/32/1019155532.db2.gz CMWTUDNFHAHOSG-LLVKDONJSA-N 2 2 311.351 3.781 20 0 DHADLP Cc1csc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000086279162 1019314863 /nfs/dbraw/zinc/31/48/63/1019314863.db2.gz KWESTPNFGJZYIR-ZDUSSCGKSA-N 2 2 312.442 3.796 20 0 DHADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000090668064 1019412169 /nfs/dbraw/zinc/41/21/69/1019412169.db2.gz WLRSNPKGVVEATC-BEFAXECRSA-N 2 2 301.478 3.631 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000092195055 1019483248 /nfs/dbraw/zinc/48/32/48/1019483248.db2.gz XGPXKEZWWWPTJH-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@@H](c3ccccc3)C2)CC1(C)C ZINC001171636948 1032834854 /nfs/dbraw/zinc/83/48/54/1032834854.db2.gz KUAFHVFFQZQSEX-GOSISDBHSA-N 2 2 316.489 3.711 20 0 DHADLP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@@H](c3ccccc3)C2)CC1(C)C ZINC001171636948 1032834862 /nfs/dbraw/zinc/83/48/62/1032834862.db2.gz KUAFHVFFQZQSEX-GOSISDBHSA-N 2 2 316.489 3.711 20 0 DHADLP CCc1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000092587627 1019540215 /nfs/dbraw/zinc/54/02/15/1019540215.db2.gz JWJDHLJWUNZTJO-MRXNPFEDSA-N 2 2 321.534 3.649 20 0 DHADLP CCc1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000092587627 1019540226 /nfs/dbraw/zinc/54/02/26/1019540226.db2.gz JWJDHLJWUNZTJO-MRXNPFEDSA-N 2 2 321.534 3.649 20 0 DHADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000517599900 1019631635 /nfs/dbraw/zinc/63/16/35/1019631635.db2.gz PPOKYLRNXHBFKB-MNEFBYGVSA-N 2 2 301.478 3.631 20 0 DHADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000517599899 1019631767 /nfs/dbraw/zinc/63/17/67/1019631767.db2.gz PPOKYLRNXHBFKB-AYOQOUSVSA-N 2 2 301.478 3.631 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccns1 ZINC000858316798 1032844295 /nfs/dbraw/zinc/84/42/95/1032844295.db2.gz MPSBBYLGYOYMJI-HNNXBMFYSA-N 2 2 315.486 3.501 20 0 DHADLP CCCC[NH+]1CCC([NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657334663 1019726413 /nfs/dbraw/zinc/72/64/13/1019726413.db2.gz AZMFNFLLOLWIQM-UHFFFAOYSA-N 2 2 320.452 3.721 20 0 DHADLP CCOC1CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000657880446 1019730354 /nfs/dbraw/zinc/73/03/54/1019730354.db2.gz BWUBXIBPEMXIAP-IOJLRTSASA-N 2 2 316.489 3.588 20 0 DHADLP CCOC1CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000657880446 1019730366 /nfs/dbraw/zinc/73/03/66/1019730366.db2.gz BWUBXIBPEMXIAP-IOJLRTSASA-N 2 2 316.489 3.588 20 0 DHADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000061012131 1019732946 /nfs/dbraw/zinc/73/29/46/1019732946.db2.gz DUMGZGBGTDFDLG-UHFFFAOYSA-N 2 2 304.409 3.763 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CC(CF)(CF)C1)c1ccccc1 ZINC000657881384 1019733134 /nfs/dbraw/zinc/73/31/34/1019733134.db2.gz NPAZIQNXUHBPAX-CQSZACIVSA-N 2 2 310.432 3.793 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657882164 1019737753 /nfs/dbraw/zinc/73/77/53/1019737753.db2.gz JOMLNOOWPRPNBL-QZTJIDSGSA-N 2 2 304.503 3.526 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000657882164 1019737770 /nfs/dbraw/zinc/73/77/70/1019737770.db2.gz JOMLNOOWPRPNBL-QZTJIDSGSA-N 2 2 304.503 3.526 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc2ccccc2c1 ZINC000727645544 1019747300 /nfs/dbraw/zinc/74/73/00/1019747300.db2.gz QARBULULLUNKRR-SFHVURJKSA-N 2 2 308.429 3.636 20 0 DHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC000727839009 1019818667 /nfs/dbraw/zinc/81/86/67/1019818667.db2.gz YERWXCVHGMALRV-FQEVSTJZSA-N 2 2 324.468 3.554 20 0 DHADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1ccccc1 ZINC000727839009 1019818685 /nfs/dbraw/zinc/81/86/85/1019818685.db2.gz YERWXCVHGMALRV-FQEVSTJZSA-N 2 2 324.468 3.554 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470359 1019851123 /nfs/dbraw/zinc/85/11/23/1019851123.db2.gz HPOSNENCQVEFIY-SUMWQHHRSA-N 2 2 317.864 3.660 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470359 1019851131 /nfs/dbraw/zinc/85/11/31/1019851131.db2.gz HPOSNENCQVEFIY-SUMWQHHRSA-N 2 2 317.864 3.660 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470359 1019851142 /nfs/dbraw/zinc/85/11/42/1019851142.db2.gz HPOSNENCQVEFIY-SUMWQHHRSA-N 2 2 317.864 3.660 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470359 1019851160 /nfs/dbraw/zinc/85/11/60/1019851160.db2.gz HPOSNENCQVEFIY-SUMWQHHRSA-N 2 2 317.864 3.660 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cc2ccncc2s1 ZINC000657892589 1019872852 /nfs/dbraw/zinc/87/28/52/1019872852.db2.gz CSRNAGZQCCXKIO-OCCSQVGLSA-N 2 2 312.442 3.721 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc2ccncc2s1 ZINC000657901212 1019901030 /nfs/dbraw/zinc/90/10/30/1019901030.db2.gz PFEBURVQBDBOQU-ZDUSSCGKSA-N 2 2 312.442 3.844 20 0 DHADLP CC(C)(C)[NH+]1CCC(Nc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000858358327 1032861265 /nfs/dbraw/zinc/86/12/65/1032861265.db2.gz CUCYWZLJNHFTLW-UHFFFAOYSA-N 2 2 323.444 3.557 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000685662125 1020018735 /nfs/dbraw/zinc/01/87/35/1020018735.db2.gz GEDUALBUAJOFKF-ZANVPECISA-N 2 2 322.239 3.851 20 0 DHADLP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001168601546 1020043681 /nfs/dbraw/zinc/04/36/81/1020043681.db2.gz UCOCTRJZHXZMQR-OALUTQOASA-N 2 2 313.489 3.670 20 0 DHADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020866 1020093982 /nfs/dbraw/zinc/09/39/82/1020093982.db2.gz ZXYDVMYJMJXGCA-GJZGRUSLSA-N 2 2 303.837 3.531 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2ccccc21 ZINC000073715227 1020121403 /nfs/dbraw/zinc/12/14/03/1020121403.db2.gz YJWQDCFYDPBIKQ-FQEVSTJZSA-N 2 2 303.409 3.992 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2ccccc21 ZINC000073715227 1020121405 /nfs/dbraw/zinc/12/14/05/1020121405.db2.gz YJWQDCFYDPBIKQ-FQEVSTJZSA-N 2 2 303.409 3.992 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)CCC2 ZINC000658092847 1020137353 /nfs/dbraw/zinc/13/73/53/1020137353.db2.gz RSWLXWMZQRZUSQ-QAPCUYQASA-N 2 2 302.462 3.535 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)CCC2 ZINC000658092847 1020137357 /nfs/dbraw/zinc/13/73/57/1020137357.db2.gz RSWLXWMZQRZUSQ-QAPCUYQASA-N 2 2 302.462 3.535 20 0 DHADLP Cc1cc(F)ccc1C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390580864 1020210058 /nfs/dbraw/zinc/21/00/58/1020210058.db2.gz ZNUDIUBRIYNBIF-HXUWFJFHSA-N 2 2 312.432 3.888 20 0 DHADLP Cc1cc(F)ccc1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390580864 1020210066 /nfs/dbraw/zinc/21/00/66/1020210066.db2.gz ZNUDIUBRIYNBIF-HXUWFJFHSA-N 2 2 312.432 3.888 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657897817 1020349694 /nfs/dbraw/zinc/34/96/94/1020349694.db2.gz WQJLQCPTVOSCQB-IAGOWNOFSA-N 2 2 315.486 3.579 20 0 DHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccns1 ZINC000404435441 1020419506 /nfs/dbraw/zinc/41/95/06/1020419506.db2.gz BXBXWHIHWJINNX-KRWDZBQOSA-N 2 2 315.486 3.533 20 0 DHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccns1 ZINC000404435441 1020419510 /nfs/dbraw/zinc/41/95/10/1020419510.db2.gz BXBXWHIHWJINNX-KRWDZBQOSA-N 2 2 315.486 3.533 20 0 DHADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353623083 1020527513 /nfs/dbraw/zinc/52/75/13/1020527513.db2.gz NXBOWLMELWHULP-GWCFXTLKSA-N 2 2 319.861 3.747 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc2ccccc2o1 ZINC000278795803 1020549386 /nfs/dbraw/zinc/54/93/86/1020549386.db2.gz YXXQQMJSBUSZQJ-CVEARBPZSA-N 2 2 316.445 3.584 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc2ccccc2o1 ZINC000278795803 1020549390 /nfs/dbraw/zinc/54/93/90/1020549390.db2.gz YXXQQMJSBUSZQJ-CVEARBPZSA-N 2 2 316.445 3.584 20 0 DHADLP Fc1ccc(/C=C\C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000347841958 1020565470 /nfs/dbraw/zinc/56/54/70/1020565470.db2.gz FGPVWRRXLSAHPE-UPHRSURJSA-N 2 2 303.356 3.581 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000347843161 1020568882 /nfs/dbraw/zinc/56/88/82/1020568882.db2.gz JEABLHRBLZEYNG-LJQANCHMSA-N 2 2 315.505 3.588 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000347843161 1020568888 /nfs/dbraw/zinc/56/88/88/1020568888.db2.gz JEABLHRBLZEYNG-LJQANCHMSA-N 2 2 315.505 3.588 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCC(C(F)(F)F)CC1 ZINC000353919214 1020576784 /nfs/dbraw/zinc/57/67/84/1020576784.db2.gz XKLJMPUMSLFMHP-IYXRBSQSSA-N 2 2 303.372 3.620 20 0 DHADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2cccnc12 ZINC000647488731 1020651683 /nfs/dbraw/zinc/65/16/83/1020651683.db2.gz PGTBIPRIMHERDM-RBUKOAKNSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc2cccnc12 ZINC000647488731 1020651687 /nfs/dbraw/zinc/65/16/87/1020651687.db2.gz PGTBIPRIMHERDM-RBUKOAKNSA-N 2 2 309.457 3.650 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC001171958427 1032925583 /nfs/dbraw/zinc/92/55/83/1032925583.db2.gz YRALEMUGNGOKHY-ZDUSSCGKSA-N 2 2 311.351 3.513 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958502 1032926244 /nfs/dbraw/zinc/92/62/44/1032926244.db2.gz AIQYYPPBTFKCLE-AWEZNQCLSA-N 2 2 316.411 3.958 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958502 1032926257 /nfs/dbraw/zinc/92/62/57/1032926257.db2.gz AIQYYPPBTFKCLE-AWEZNQCLSA-N 2 2 316.411 3.958 20 0 DHADLP CN(c1ccc([NH2+]CC2(C)CCC2)cc1)C1CC[NH+](C)CC1 ZINC000766214225 1020779727 /nfs/dbraw/zinc/77/97/27/1020779727.db2.gz LSMVSNCGLHPCHU-UHFFFAOYSA-N 2 2 301.478 3.819 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOc1cc[nH+]cc1 ZINC001171963596 1032931679 /nfs/dbraw/zinc/93/16/79/1032931679.db2.gz JFQGRTHLBQWRNL-CYBMUJFWSA-N 2 2 324.346 3.700 20 0 DHADLP Cc1ccnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962112 1032933492 /nfs/dbraw/zinc/93/34/92/1032933492.db2.gz CCNOAPRHVRGCRU-LJQANCHMSA-N 2 2 323.484 3.923 20 0 DHADLP Cc1ccnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962112 1032933526 /nfs/dbraw/zinc/93/35/26/1032933526.db2.gz CCNOAPRHVRGCRU-LJQANCHMSA-N 2 2 323.484 3.923 20 0 DHADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171962333 1032934963 /nfs/dbraw/zinc/93/49/63/1032934963.db2.gz CJPNHRBBFBMAGG-LJQANCHMSA-N 2 2 323.484 3.923 20 0 DHADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171962333 1032934968 /nfs/dbraw/zinc/93/49/68/1032934968.db2.gz CJPNHRBBFBMAGG-LJQANCHMSA-N 2 2 323.484 3.923 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccns1 ZINC000858576787 1032951087 /nfs/dbraw/zinc/95/10/87/1032951087.db2.gz NAKWNERKPVOYHL-IIAWOOMASA-N 2 2 307.507 3.837 20 0 DHADLP CC1(C)C[C@@H]([NH+]2CC(C(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171989245 1032951848 /nfs/dbraw/zinc/95/18/48/1032951848.db2.gz BINLJQYQFBLFIW-INIZCTEOSA-N 2 2 308.416 3.627 20 0 DHADLP CC1(C)C[C@@H]([NH+]2CC(C(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171989245 1032951854 /nfs/dbraw/zinc/95/18/54/1032951854.db2.gz BINLJQYQFBLFIW-INIZCTEOSA-N 2 2 308.416 3.627 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccno1 ZINC001171975989 1032962138 /nfs/dbraw/zinc/96/21/38/1032962138.db2.gz HIFYLOPSWOEKTL-DOTOQJQBSA-N 2 2 313.445 3.768 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccno1 ZINC001171975989 1032962148 /nfs/dbraw/zinc/96/21/48/1032962148.db2.gz HIFYLOPSWOEKTL-DOTOQJQBSA-N 2 2 313.445 3.768 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](COc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000537967725 1032964360 /nfs/dbraw/zinc/96/43/60/1032964360.db2.gz XPKIYHISFMQDBV-LMNJBCLMSA-N 2 2 324.468 3.879 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](COc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000537967725 1032964376 /nfs/dbraw/zinc/96/43/76/1032964376.db2.gz XPKIYHISFMQDBV-LMNJBCLMSA-N 2 2 324.468 3.879 20 0 DHADLP Clc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CC2)cc1Cl ZINC000091264054 1021274681 /nfs/dbraw/zinc/27/46/81/1021274681.db2.gz DRUBCIWBMFANLW-HNNXBMFYSA-N 2 2 310.228 3.931 20 0 DHADLP Cc1cccc2[nH]c(C[NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)cc21 ZINC000850058283 1021405224 /nfs/dbraw/zinc/40/52/24/1021405224.db2.gz AIVGVSOCKOCFDY-SFHVURJKSA-N 2 2 310.445 3.877 20 0 DHADLP C(=C/c1ccncc1)\C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337415426 1032981626 /nfs/dbraw/zinc/98/16/26/1032981626.db2.gz ZDPBBPOSPZLDIR-YWPBOTNQSA-N 2 2 322.456 3.507 20 0 DHADLP C(=C/c1ccncc1)\C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337415426 1032981635 /nfs/dbraw/zinc/98/16/35/1032981635.db2.gz ZDPBBPOSPZLDIR-YWPBOTNQSA-N 2 2 322.456 3.507 20 0 DHADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccccc1 ZINC000605594051 1021479491 /nfs/dbraw/zinc/47/94/91/1021479491.db2.gz JLYTYYVJEWVKAI-INIZCTEOSA-N 2 2 304.503 3.699 20 0 DHADLP Clc1cnc2oc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc2c1 ZINC000648366892 1021482952 /nfs/dbraw/zinc/48/29/52/1021482952.db2.gz FKZZZAMRDVYXJT-AWEZNQCLSA-N 2 2 316.792 3.515 20 0 DHADLP Clc1cnc2oc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc2c1 ZINC000648366892 1021482965 /nfs/dbraw/zinc/48/29/65/1021482965.db2.gz FKZZZAMRDVYXJT-AWEZNQCLSA-N 2 2 316.792 3.515 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)oc1C ZINC000337419321 1032983715 /nfs/dbraw/zinc/98/37/15/1032983715.db2.gz QJAJERZACKJFEF-OAHLLOKOSA-N 2 2 309.413 3.992 20 0 DHADLP C[NH+](C)CCC[N@H+](C)Cc1cccn1-c1ccc(Cl)cc1 ZINC001140939696 1021540824 /nfs/dbraw/zinc/54/08/24/1021540824.db2.gz RFGWLMMJYAEPDJ-UHFFFAOYSA-N 2 2 305.853 3.514 20 0 DHADLP C[NH+](C)CCC[N@@H+](C)Cc1cccn1-c1ccc(Cl)cc1 ZINC001140939696 1021540836 /nfs/dbraw/zinc/54/08/36/1021540836.db2.gz RFGWLMMJYAEPDJ-UHFFFAOYSA-N 2 2 305.853 3.514 20 0 DHADLP C[NH+](C)C1CCN(c2ccc([NH2+][C@@H]3CCCC34CC4)cc2)CC1 ZINC000850453978 1021545305 /nfs/dbraw/zinc/54/53/05/1021545305.db2.gz RFKOYIXEIBZIGF-LJQANCHMSA-N 2 2 313.489 3.962 20 0 DHADLP C[C@H]([NH2+]CCC1SCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850569505 1021613204 /nfs/dbraw/zinc/61/32/04/1021613204.db2.gz GRHKTJWFZJEZEY-ZDUSSCGKSA-N 2 2 319.499 3.719 20 0 DHADLP FCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172069782 1032997113 /nfs/dbraw/zinc/99/71/13/1032997113.db2.gz XFRVDYYFIFYBAK-NNZMDNLPSA-N 2 2 302.437 3.664 20 0 DHADLP FCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069782 1032997127 /nfs/dbraw/zinc/99/71/27/1032997127.db2.gz XFRVDYYFIFYBAK-NNZMDNLPSA-N 2 2 302.437 3.664 20 0 DHADLP Clc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccn1 ZINC000783031542 1021729031 /nfs/dbraw/zinc/72/90/31/1021729031.db2.gz PTAJCFJPTDUIFS-UHFFFAOYSA-N 2 2 318.852 3.624 20 0 DHADLP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000556583424 1021782754 /nfs/dbraw/zinc/78/27/54/1021782754.db2.gz IPVMFKAZDGVNTB-HOTGVXAUSA-N 2 2 314.395 3.883 20 0 DHADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000556583424 1021782765 /nfs/dbraw/zinc/78/27/65/1021782765.db2.gz IPVMFKAZDGVNTB-HOTGVXAUSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000193445341 1022026590 /nfs/dbraw/zinc/02/65/90/1022026590.db2.gz KTLKNNRXIDVNOT-MAUKXSAKSA-N 2 2 303.409 3.863 20 0 DHADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000153354767 1022042000 /nfs/dbraw/zinc/04/20/00/1022042000.db2.gz WINODELNMZPUCN-IEBWSBKVSA-N 2 2 311.473 3.553 20 0 DHADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000153354767 1022042015 /nfs/dbraw/zinc/04/20/15/1022042015.db2.gz WINODELNMZPUCN-IEBWSBKVSA-N 2 2 311.473 3.553 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(Cl)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670408 1022155731 /nfs/dbraw/zinc/15/57/31/1022155731.db2.gz KUGDFNXYCVWSSI-CYBMUJFWSA-N 2 2 312.804 3.772 20 0 DHADLP CCCSC[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000893203135 1022231384 /nfs/dbraw/zinc/23/13/84/1022231384.db2.gz VNMUAFMWWRZUJW-CVEARBPZSA-N 2 2 321.534 3.728 20 0 DHADLP CCCSC[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000893203136 1022231998 /nfs/dbraw/zinc/23/19/98/1022231998.db2.gz VNMUAFMWWRZUJW-HOTGVXAUSA-N 2 2 321.534 3.728 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccnc1Cl ZINC000853239688 1022243144 /nfs/dbraw/zinc/24/31/44/1022243144.db2.gz JFHSUPSSFCUWFG-ZFWWWQNUSA-N 2 2 307.869 3.508 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccnc1Cl ZINC000853239688 1022243157 /nfs/dbraw/zinc/24/31/57/1022243157.db2.gz JFHSUPSSFCUWFG-ZFWWWQNUSA-N 2 2 307.869 3.508 20 0 DHADLP Clc1ccc(CC[N@H+](CCCn2cc[nH+]c2)CC2CC2)cc1 ZINC000538351712 1033040836 /nfs/dbraw/zinc/04/08/36/1033040836.db2.gz HFLCRDKLLPGOCP-UHFFFAOYSA-N 2 2 317.864 3.881 20 0 DHADLP Clc1ccc(CC[N@@H+](CCCn2cc[nH+]c2)CC2CC2)cc1 ZINC000538351712 1033040842 /nfs/dbraw/zinc/04/08/42/1033040842.db2.gz HFLCRDKLLPGOCP-UHFFFAOYSA-N 2 2 317.864 3.881 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3Cl)CCC1)C2 ZINC001169116272 1022258051 /nfs/dbraw/zinc/25/80/51/1022258051.db2.gz PMHJTZCXMOLIQG-QDMKHBRRSA-N 2 2 304.865 3.934 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccccc3Cl)CCC1)C2 ZINC001169116272 1022258061 /nfs/dbraw/zinc/25/80/61/1022258061.db2.gz PMHJTZCXMOLIQG-QDMKHBRRSA-N 2 2 304.865 3.934 20 0 DHADLP c1cn(CCC[NH2+]Cc2cccc(COc3ccccc3)c2)c[nH+]1 ZINC000921472970 1022264304 /nfs/dbraw/zinc/26/43/04/1022264304.db2.gz YVVOTNHQURMINU-UHFFFAOYSA-N 2 2 321.424 3.642 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C(C)(C)C)CCOCC1)c1ccccc1 ZINC000153978981 1022266824 /nfs/dbraw/zinc/26/68/24/1022266824.db2.gz VVZHMIXPNZCMKI-IAGOWNOFSA-N 2 2 318.505 3.911 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC001169113959 1022270531 /nfs/dbraw/zinc/27/05/31/1022270531.db2.gz VLAMXGDGRZUAAU-RCLSDMTESA-N 2 2 322.452 3.696 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC001169113959 1022270536 /nfs/dbraw/zinc/27/05/36/1022270536.db2.gz VLAMXGDGRZUAAU-RCLSDMTESA-N 2 2 322.452 3.696 20 0 DHADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169145629 1022277073 /nfs/dbraw/zinc/27/70/73/1022277073.db2.gz NBPMZVIMMFSPDM-ZSXDVEMLSA-N 2 2 308.510 3.875 20 0 DHADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169145629 1022277082 /nfs/dbraw/zinc/27/70/82/1022277082.db2.gz NBPMZVIMMFSPDM-ZSXDVEMLSA-N 2 2 308.510 3.875 20 0 DHADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169145629 1022277089 /nfs/dbraw/zinc/27/70/89/1022277089.db2.gz NBPMZVIMMFSPDM-ZSXDVEMLSA-N 2 2 308.510 3.875 20 0 DHADLP CC[C@@H]1CO[C@](C)(CCC(C)C)[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169145629 1022277097 /nfs/dbraw/zinc/27/70/97/1022277097.db2.gz NBPMZVIMMFSPDM-ZSXDVEMLSA-N 2 2 308.510 3.875 20 0 DHADLP Cc1cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c2cc[nH]c21 ZINC001169151440 1022283067 /nfs/dbraw/zinc/28/30/67/1022283067.db2.gz JSGQINJVZZBDKC-FZKQIMNGSA-N 2 2 300.450 3.827 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccc(F)cc1F)C2 ZINC001169155310 1022285385 /nfs/dbraw/zinc/28/53/85/1022285385.db2.gz MRRIZPPBPQJLFW-KRXQYRFLSA-N 2 2 306.400 3.727 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1ccc(F)cc1F)C2 ZINC001169155310 1022285392 /nfs/dbraw/zinc/28/53/92/1022285392.db2.gz MRRIZPPBPQJLFW-KRXQYRFLSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1ccc(F)cc1F)C2 ZINC001169155310 1022285401 /nfs/dbraw/zinc/28/54/01/1022285401.db2.gz MRRIZPPBPQJLFW-KRXQYRFLSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1ccc(F)cc1F)C2 ZINC001169155310 1022285406 /nfs/dbraw/zinc/28/54/06/1022285406.db2.gz MRRIZPPBPQJLFW-KRXQYRFLSA-N 2 2 306.400 3.727 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(OC(F)F)c1 ZINC000268799234 1022379172 /nfs/dbraw/zinc/37/91/72/1022379172.db2.gz XXQJXSQFXVNFQS-APHBMKBZSA-N 2 2 310.388 3.565 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(OC(F)F)c1 ZINC000268799234 1022379183 /nfs/dbraw/zinc/37/91/83/1022379183.db2.gz XXQJXSQFXVNFQS-APHBMKBZSA-N 2 2 310.388 3.565 20 0 DHADLP c1cn(CC[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC000155727304 1022417677 /nfs/dbraw/zinc/41/76/77/1022417677.db2.gz RCWDUPXSWDCXDE-NRFANRHFSA-N 2 2 319.452 3.717 20 0 DHADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000854233263 1022436181 /nfs/dbraw/zinc/43/61/81/1022436181.db2.gz YKNVAEQYYTWSMQ-YGRLFVJLSA-N 2 2 300.418 3.576 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1sccc1Br ZINC000156568955 1022473428 /nfs/dbraw/zinc/47/34/28/1022473428.db2.gz XSNOWLMIFHUKJR-OUAUKWLOSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1sccc1Br ZINC000156568955 1022473436 /nfs/dbraw/zinc/47/34/36/1022473436.db2.gz XSNOWLMIFHUKJR-OUAUKWLOSA-N 2 2 317.296 3.644 20 0 DHADLP C[NH+](C)CCC(C)(C)Nc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001169717564 1022517212 /nfs/dbraw/zinc/51/72/12/1022517212.db2.gz CHVPCHCDJOTDHI-UHFFFAOYSA-N 2 2 301.478 3.528 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1cccs1)CCC2 ZINC000367438713 1022639383 /nfs/dbraw/zinc/63/93/83/1022639383.db2.gz OTJYFMQJECTDOJ-JONQDZQNSA-N 2 2 315.486 3.912 20 0 DHADLP Fc1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1F ZINC000781886222 1022649111 /nfs/dbraw/zinc/64/91/11/1022649111.db2.gz KWUDHUGKYAWUFW-GOSISDBHSA-N 2 2 308.416 3.978 20 0 DHADLP Fc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc1F ZINC000781886222 1022649122 /nfs/dbraw/zinc/64/91/22/1022649122.db2.gz KWUDHUGKYAWUFW-GOSISDBHSA-N 2 2 308.416 3.978 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334841 1022692105 /nfs/dbraw/zinc/69/21/05/1022692105.db2.gz RURYCOWXPYXXAN-BSWAZPDLSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334841 1022692109 /nfs/dbraw/zinc/69/21/09/1022692109.db2.gz RURYCOWXPYXXAN-BSWAZPDLSA-N 2 2 304.503 3.847 20 0 DHADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000159152551 1022696809 /nfs/dbraw/zinc/69/68/09/1022696809.db2.gz FBOOKCPCLBDTJN-INIZCTEOSA-N 2 2 322.880 3.799 20 0 DHADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000159152551 1022696816 /nfs/dbraw/zinc/69/68/16/1022696816.db2.gz FBOOKCPCLBDTJN-INIZCTEOSA-N 2 2 322.880 3.799 20 0 DHADLP Cc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000641770756 1022700045 /nfs/dbraw/zinc/70/00/45/1022700045.db2.gz DQCDZHNTGFUAIS-OLZOCXBDSA-N 2 2 322.250 3.693 20 0 DHADLP CCn1c[nH+]cc1CNc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000417817413 1022863042 /nfs/dbraw/zinc/86/30/42/1022863042.db2.gz VNZSLACIBZSLIO-UHFFFAOYSA-N 2 2 312.461 3.544 20 0 DHADLP C[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000768087555 1022875932 /nfs/dbraw/zinc/87/59/32/1022875932.db2.gz UAXZFASKVPBLCD-KGLIPLIRSA-N 2 2 314.395 3.883 20 0 DHADLP FC1(F)CCCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000295091547 1022989926 /nfs/dbraw/zinc/98/99/26/1022989926.db2.gz JJNJUDGDHQQYSK-HNNXBMFYSA-N 2 2 305.372 3.787 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000364310531 1023007573 /nfs/dbraw/zinc/00/75/73/1023007573.db2.gz IBDGUPGIXOLHEV-HZPDHXFCSA-N 2 2 305.466 3.601 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000364310531 1023007586 /nfs/dbraw/zinc/00/75/86/1023007586.db2.gz IBDGUPGIXOLHEV-HZPDHXFCSA-N 2 2 305.466 3.601 20 0 DHADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000876619578 1033109183 /nfs/dbraw/zinc/10/91/83/1033109183.db2.gz BTUJLAFJZXPTPU-MRXNPFEDSA-N 2 2 313.445 3.967 20 0 DHADLP CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000876619578 1033109193 /nfs/dbraw/zinc/10/91/93/1033109193.db2.gz BTUJLAFJZXPTPU-MRXNPFEDSA-N 2 2 313.445 3.967 20 0 DHADLP COc1ccsc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000769964083 1023246861 /nfs/dbraw/zinc/24/68/61/1023246861.db2.gz WVPOPPLVOCKGRQ-JSGCOSHPSA-N 2 2 307.463 3.719 20 0 DHADLP COc1ccsc1C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001141320886 1023368449 /nfs/dbraw/zinc/36/84/49/1023368449.db2.gz LPLLDHMQOFOQIA-UHFFFAOYSA-N 2 2 320.502 3.597 20 0 DHADLP COc1ccsc1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001141320886 1023368455 /nfs/dbraw/zinc/36/84/55/1023368455.db2.gz LPLLDHMQOFOQIA-UHFFFAOYSA-N 2 2 320.502 3.597 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2ccccc2)cn1 ZINC000651667028 1023439031 /nfs/dbraw/zinc/43/90/31/1023439031.db2.gz VVEHTXWPXOGLPL-MRXNPFEDSA-N 2 2 306.413 3.686 20 0 DHADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000651680806 1023455404 /nfs/dbraw/zinc/45/54/04/1023455404.db2.gz RKTJXVRBMPUZAE-UMVBOHGHSA-N 2 2 308.828 3.683 20 0 DHADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000651680806 1023455406 /nfs/dbraw/zinc/45/54/06/1023455406.db2.gz RKTJXVRBMPUZAE-UMVBOHGHSA-N 2 2 308.828 3.683 20 0 DHADLP c1coc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000661162519 1023503579 /nfs/dbraw/zinc/50/35/79/1023503579.db2.gz RUIFSTWPRJIJMC-UHFFFAOYSA-N 2 2 307.397 3.845 20 0 DHADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cc(F)ccc2O1 ZINC000651949095 1023672321 /nfs/dbraw/zinc/67/23/21/1023672321.db2.gz CROFESCYZHBKTA-QGZVFWFLSA-N 2 2 318.436 3.644 20 0 DHADLP CC(C)C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000652199739 1023701847 /nfs/dbraw/zinc/70/18/47/1023701847.db2.gz AUMJGTOAGBPAGS-WBVHZDCISA-N 2 2 301.409 3.783 20 0 DHADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000786795511 1023727374 /nfs/dbraw/zinc/72/73/74/1023727374.db2.gz FOQPWKXUXQIDNY-NXHRZFHOSA-N 2 2 315.461 3.664 20 0 DHADLP CC(C)CCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001170080586 1023837779 /nfs/dbraw/zinc/83/77/79/1023837779.db2.gz KWNGCVARVGJPSR-KRWDZBQOSA-N 2 2 320.525 3.754 20 0 DHADLP CC(C)CCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001170080586 1023837782 /nfs/dbraw/zinc/83/77/82/1023837782.db2.gz KWNGCVARVGJPSR-KRWDZBQOSA-N 2 2 320.525 3.754 20 0 DHADLP CC(C)CCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001170080586 1023837792 /nfs/dbraw/zinc/83/77/92/1023837792.db2.gz KWNGCVARVGJPSR-KRWDZBQOSA-N 2 2 320.525 3.754 20 0 DHADLP COc1c(C)c[nH+]c(CNc2ccc(C)cc2C[NH+](C)C)c1C ZINC000876865070 1033171308 /nfs/dbraw/zinc/17/13/08/1033171308.db2.gz YTRKEOUOHFXJGI-UHFFFAOYSA-N 2 2 313.445 3.689 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1COCc2cccc(Cl)c21)C(C)(C)C ZINC000788602140 1023911208 /nfs/dbraw/zinc/91/12/08/1023911208.db2.gz AFPZHOQRBCINDA-CVEARBPZSA-N 2 2 324.896 3.867 20 0 DHADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268760858 1024153850 /nfs/dbraw/zinc/15/38/50/1024153850.db2.gz LLXNOMBTSZJYBB-HXUWFJFHSA-N 2 2 321.399 3.848 20 0 DHADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268762296 1024155597 /nfs/dbraw/zinc/15/55/97/1024155597.db2.gz IAGMNCZLLLFQNJ-OKZBNKHCSA-N 2 2 312.457 3.649 20 0 DHADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000268762296 1024155601 /nfs/dbraw/zinc/15/56/01/1024155601.db2.gz IAGMNCZLLLFQNJ-OKZBNKHCSA-N 2 2 312.457 3.649 20 0 DHADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268762294 1024155756 /nfs/dbraw/zinc/15/57/56/1024155756.db2.gz IAGMNCZLLLFQNJ-BZSNNMDCSA-N 2 2 312.457 3.649 20 0 DHADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000268762294 1024155763 /nfs/dbraw/zinc/15/57/63/1024155763.db2.gz IAGMNCZLLLFQNJ-BZSNNMDCSA-N 2 2 312.457 3.649 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000268802831 1024166370 /nfs/dbraw/zinc/16/63/70/1024166370.db2.gz IBOFCMOWSGCZJZ-QWHCGFSZSA-N 2 2 307.825 3.675 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000268821997 1024170841 /nfs/dbraw/zinc/17/08/41/1024170841.db2.gz ODVLFBZTHOBBRW-VXGBXAGGSA-N 2 2 313.323 3.521 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccnc1Cl ZINC000269068160 1024234716 /nfs/dbraw/zinc/23/47/16/1024234716.db2.gz MCHXJFBHJVCHFW-ZDUSSCGKSA-N 2 2 307.869 3.793 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1sccc1Cl ZINC000883178518 1024269957 /nfs/dbraw/zinc/26/99/57/1024269957.db2.gz YMXPNAACQDEGOJ-AWEZNQCLSA-N 2 2 316.898 3.553 20 0 DHADLP Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269766652 1024313782 /nfs/dbraw/zinc/31/37/82/1024313782.db2.gz MTARMCVNPMECDU-WBMJQRKESA-N 2 2 301.821 3.930 20 0 DHADLP Clc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269766652 1024313795 /nfs/dbraw/zinc/31/37/95/1024313795.db2.gz MTARMCVNPMECDU-WBMJQRKESA-N 2 2 301.821 3.930 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000453100967 1024330710 /nfs/dbraw/zinc/33/07/10/1024330710.db2.gz SXARXGHOIBAZCC-QGZVFWFLSA-N 2 2 320.440 3.768 20 0 DHADLP FC1(F)CCC[C@H]1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000883266658 1024340380 /nfs/dbraw/zinc/34/03/80/1024340380.db2.gz GNVQAEWFHJJUGN-HNNXBMFYSA-N 2 2 305.372 3.787 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000883386656 1024419667 /nfs/dbraw/zinc/41/96/67/1024419667.db2.gz KQEXFCMACZCNOO-PXNSSMCTSA-N 2 2 320.440 3.987 20 0 DHADLP C[C@H](Cc1cccs1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387520 1024420777 /nfs/dbraw/zinc/42/07/77/1024420777.db2.gz YYXPSPGOULSYCW-CRAIPNDOSA-N 2 2 311.454 3.907 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883387598 1024420905 /nfs/dbraw/zinc/42/09/05/1024420905.db2.gz ABQGBNJIJNHDNZ-LPHOPBHVSA-N 2 2 306.413 3.679 20 0 DHADLP COC1(C[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000883388382 1024422251 /nfs/dbraw/zinc/42/22/51/1024422251.db2.gz UDQKEYKIOVQXIX-AEFFLSMTSA-N 2 2 313.445 3.562 20 0 DHADLP C[C@@H](CCc1cccnc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388833 1024422312 /nfs/dbraw/zinc/42/23/12/1024422312.db2.gz DUFOMCWIELTJRV-PXNSSMCTSA-N 2 2 320.440 3.630 20 0 DHADLP CC(C)(C)OC1CC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883388084 1024423378 /nfs/dbraw/zinc/42/33/78/1024423378.db2.gz LWPPFXQZENIFEL-DAWZGUTISA-N 2 2 313.445 3.560 20 0 DHADLP c1cn(C[C@@H]([NH2+]Cc2cccc3c2CCC3)c2ccccc2)c[nH+]1 ZINC000883397015 1024427097 /nfs/dbraw/zinc/42/70/97/1024427097.db2.gz BQDTYAUGMLTPEP-OAQYLSRUSA-N 2 2 317.436 3.903 20 0 DHADLP Cc1cccc([C@@H]2CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)c1 ZINC000348226752 1024451712 /nfs/dbraw/zinc/45/17/12/1024451712.db2.gz DDOVLVPYKQDHML-MRXNPFEDSA-N 2 2 315.486 3.503 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000453307493 1024454184 /nfs/dbraw/zinc/45/41/84/1024454184.db2.gz LNKDFAAAUYRGHE-XLIONFOSSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000453307493 1024454186 /nfs/dbraw/zinc/45/41/86/1024454186.db2.gz LNKDFAAAUYRGHE-XLIONFOSSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cscn1 ZINC000271127256 1024459285 /nfs/dbraw/zinc/45/92/85/1024459285.db2.gz KSWJEDIWBRIUHX-CQSZACIVSA-N 2 2 301.459 3.590 20 0 DHADLP C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000132211620 1024463451 /nfs/dbraw/zinc/46/34/51/1024463451.db2.gz JMZMRASTFJUZNH-OXJNMPFZSA-N 2 2 315.505 3.890 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000271497477 1024522122 /nfs/dbraw/zinc/52/21/22/1024522122.db2.gz LLIFCFGDHMPBFS-FZKQIMNGSA-N 2 2 321.428 3.632 20 0 DHADLP C[C@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001170157380 1024537803 /nfs/dbraw/zinc/53/78/03/1024537803.db2.gz KNAMNUUVUNZKLH-YJBOKZPZSA-N 2 2 304.453 3.911 20 0 DHADLP C[C@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001170157380 1024537806 /nfs/dbraw/zinc/53/78/06/1024537806.db2.gz KNAMNUUVUNZKLH-YJBOKZPZSA-N 2 2 304.453 3.911 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(SC(F)F)cc1 ZINC000271689460 1024561959 /nfs/dbraw/zinc/56/19/59/1024561959.db2.gz LMEITGNFXYYUAV-UHFFFAOYSA-N 2 2 311.401 3.720 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(SC(F)F)cc1 ZINC000271689460 1024561966 /nfs/dbraw/zinc/56/19/66/1024561966.db2.gz LMEITGNFXYYUAV-UHFFFAOYSA-N 2 2 311.401 3.720 20 0 DHADLP c1cn(-c2cccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)c2)c[nH+]1 ZINC000348264213 1024618197 /nfs/dbraw/zinc/61/81/97/1024618197.db2.gz MYKDNMALXILKQB-ICSRJNTNSA-N 2 2 303.409 3.766 20 0 DHADLP FC(F)(F)c1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792485 1024698383 /nfs/dbraw/zinc/69/83/83/1024698383.db2.gz VVXXIWQKNROSRM-UHFFFAOYSA-N 2 2 309.335 3.739 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001168157229 1024709729 /nfs/dbraw/zinc/70/97/29/1024709729.db2.gz YQVMRHCISZHBOC-HZPDHXFCSA-N 2 2 308.897 3.981 20 0 DHADLP CC(C)CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000349412293 1024714807 /nfs/dbraw/zinc/71/48/07/1024714807.db2.gz YXIBJYONBMHNPC-UHFFFAOYSA-N 2 2 315.461 3.830 20 0 DHADLP CC(C)CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000349412293 1024714816 /nfs/dbraw/zinc/71/48/16/1024714816.db2.gz YXIBJYONBMHNPC-UHFFFAOYSA-N 2 2 315.461 3.830 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000340353634 1024717433 /nfs/dbraw/zinc/71/74/33/1024717433.db2.gz ZTZQIUBTIYOYEB-ZOCIIQOWSA-N 2 2 313.420 3.707 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000340353634 1024717453 /nfs/dbraw/zinc/71/74/53/1024717453.db2.gz ZTZQIUBTIYOYEB-ZOCIIQOWSA-N 2 2 313.420 3.707 20 0 DHADLP Clc1cccc2c1SCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151153031 1024762495 /nfs/dbraw/zinc/76/24/95/1024762495.db2.gz QSDYZKDMDDCKDL-CQSZACIVSA-N 2 2 307.850 3.753 20 0 DHADLP C[NH+](C)CCc1ccc(-c2cc(F)cc(Cn3cc[nH+]c3)c2)cc1 ZINC000653511959 1024775158 /nfs/dbraw/zinc/77/51/58/1024775158.db2.gz YFMCOKLXVRLSIX-UHFFFAOYSA-N 2 2 323.415 3.842 20 0 DHADLP Fc1ccc(/C=C\C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000349975573 1024774928 /nfs/dbraw/zinc/77/49/28/1024774928.db2.gz YCCFTMUEASBBRW-UPHRSURJSA-N 2 2 303.356 3.581 20 0 DHADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000643462571 1024803582 /nfs/dbraw/zinc/80/35/82/1024803582.db2.gz VBRPCEZWJMNQEW-NVXWUHKLSA-N 2 2 313.445 3.742 20 0 DHADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115545741 1024839627 /nfs/dbraw/zinc/83/96/27/1024839627.db2.gz KLSIEODQPXAECV-GOSISDBHSA-N 2 2 324.896 3.570 20 0 DHADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115545741 1024839646 /nfs/dbraw/zinc/83/96/46/1024839646.db2.gz KLSIEODQPXAECV-GOSISDBHSA-N 2 2 324.896 3.570 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000877115336 1033244332 /nfs/dbraw/zinc/24/43/32/1033244332.db2.gz MPJZQHNUFUEFQY-INIZCTEOSA-N 2 2 301.478 3.777 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CS1 ZINC000877130834 1033248502 /nfs/dbraw/zinc/24/85/02/1033248502.db2.gz OPTNEJUPVXNVJI-GOEBONIOSA-N 2 2 319.518 3.523 20 0 DHADLP CC(C)[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cn1 ZINC000353539676 1025116066 /nfs/dbraw/zinc/11/60/66/1025116066.db2.gz ZJULSYMGAGTHPI-SFHVURJKSA-N 2 2 316.424 3.795 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C(C)C)cc1 ZINC000353562949 1025131166 /nfs/dbraw/zinc/13/11/66/1025131166.db2.gz CQWVBAZHZSVLPO-HZPDHXFCSA-N 2 2 314.477 3.560 20 0 DHADLP CC1(C)CCc2ccccc2[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353625963 1025162179 /nfs/dbraw/zinc/16/21/79/1025162179.db2.gz SJOTWCRWGIUQSV-DNVCBOLYSA-N 2 2 309.457 3.960 20 0 DHADLP C[NH+]1C(C)(C)CC(Nc2ccc(N3CCCC3)[nH+]c2)CC1(C)C ZINC001170450064 1025288858 /nfs/dbraw/zinc/28/88/58/1025288858.db2.gz FMLGOXYNAXDKBC-UHFFFAOYSA-N 2 2 316.493 3.745 20 0 DHADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000353970089 1025308435 /nfs/dbraw/zinc/30/84/35/1025308435.db2.gz BPPAUBBWKCZWDV-VQIMIIECSA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000353970089 1025308448 /nfs/dbraw/zinc/30/84/48/1025308448.db2.gz BPPAUBBWKCZWDV-VQIMIIECSA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000353977519 1025310526 /nfs/dbraw/zinc/31/05/26/1025310526.db2.gz ZVENUKPBIMPHGX-IRXDYDNUSA-N 2 2 320.477 3.619 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000353977519 1025310533 /nfs/dbraw/zinc/31/05/33/1025310533.db2.gz ZVENUKPBIMPHGX-IRXDYDNUSA-N 2 2 320.477 3.619 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccc(F)cn1)C(C)C)CCC2 ZINC000354089710 1025346904 /nfs/dbraw/zinc/34/69/04/1025346904.db2.gz FPLHQKWJWUWQHB-RHSMWYFYSA-N 2 2 316.424 3.590 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000123723062 1025393982 /nfs/dbraw/zinc/39/39/82/1025393982.db2.gz VHSWCXOULFUHJK-AWEZNQCLSA-N 2 2 303.837 3.528 20 0 DHADLP CCc1cccc(F)c1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000354482276 1025443005 /nfs/dbraw/zinc/44/30/05/1025443005.db2.gz UDIUZMSBMGJGQP-OAHLLOKOSA-N 2 2 301.409 3.560 20 0 DHADLP c1csc(C[N@H+](CCC[NH+]2CCCCC2)C[C@@H]2CCCO2)c1 ZINC000124734428 1025443305 /nfs/dbraw/zinc/44/33/05/1025443305.db2.gz GAUYEQJVMZBIIF-KRWDZBQOSA-N 2 2 322.518 3.605 20 0 DHADLP c1csc(C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]2CCCO2)c1 ZINC000124734428 1025443311 /nfs/dbraw/zinc/44/33/11/1025443311.db2.gz GAUYEQJVMZBIIF-KRWDZBQOSA-N 2 2 322.518 3.605 20 0 DHADLP C[C@H](CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)OCc1ccccc1 ZINC000354834111 1025519955 /nfs/dbraw/zinc/51/99/55/1025519955.db2.gz KDERRISWYNSORR-MRXNPFEDSA-N 2 2 313.445 3.585 20 0 DHADLP CC(C)C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCc2cccnc21 ZINC000127012188 1025528734 /nfs/dbraw/zinc/52/87/34/1025528734.db2.gz HGNRQYCUDMBCDU-SFHVURJKSA-N 2 2 312.461 3.704 20 0 DHADLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCc2cccnc21 ZINC000127012188 1025528746 /nfs/dbraw/zinc/52/87/46/1025528746.db2.gz HGNRQYCUDMBCDU-SFHVURJKSA-N 2 2 312.461 3.704 20 0 DHADLP COC1CCC(C)(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000355132186 1025612226 /nfs/dbraw/zinc/61/22/26/1025612226.db2.gz MCLHLEUCIZSOLJ-UHFFFAOYSA-N 2 2 313.445 3.557 20 0 DHADLP C[C@H](C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)[N@H+](C)C1CC1 ZINC000130976938 1025676526 /nfs/dbraw/zinc/67/65/26/1025676526.db2.gz FMTIHIUIOHSCMA-MGPQQGTHSA-N 2 2 317.502 3.861 20 0 DHADLP C[C@H](C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)[N@@H+](C)C1CC1 ZINC000130976938 1025676532 /nfs/dbraw/zinc/67/65/32/1025676532.db2.gz FMTIHIUIOHSCMA-MGPQQGTHSA-N 2 2 317.502 3.861 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000575305121 1025712382 /nfs/dbraw/zinc/71/23/82/1025712382.db2.gz XEDNNBRWYUTBCD-BEFAXECRSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000575305121 1025712397 /nfs/dbraw/zinc/71/23/97/1025712397.db2.gz XEDNNBRWYUTBCD-BEFAXECRSA-N 2 2 304.453 3.753 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)c2ccccc21 ZINC000262332474 1025801635 /nfs/dbraw/zinc/80/16/35/1025801635.db2.gz SOHHUVQNZMPULP-JKSUJKDBSA-N 2 2 306.331 3.940 20 0 DHADLP CN(c1ccc([NH2+][C@@H]2CC[C@@H]2C2CC2)cc1)C1CC[NH+](C)CC1 ZINC000806151068 1025812587 /nfs/dbraw/zinc/81/25/87/1025812587.db2.gz HUZAICJNKBJUAA-WOJBJXKFSA-N 2 2 313.489 3.818 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000886718247 1025829586 /nfs/dbraw/zinc/82/95/86/1025829586.db2.gz UUIRRUCTNQSWCW-ZDUSSCGKSA-N 2 2 305.293 3.521 20 0 DHADLP C[N@H+](Cc1cscc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000356352956 1026029592 /nfs/dbraw/zinc/02/95/92/1026029592.db2.gz VQCOBUDGLGCIFU-FUNVUKJBSA-N 2 2 318.408 3.824 20 0 DHADLP C[N@@H+](Cc1cscc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000356352956 1026029609 /nfs/dbraw/zinc/02/96/09/1026029609.db2.gz VQCOBUDGLGCIFU-FUNVUKJBSA-N 2 2 318.408 3.824 20 0 DHADLP C[NH+](Cc1cscc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000356352956 1026029625 /nfs/dbraw/zinc/02/96/25/1026029625.db2.gz VQCOBUDGLGCIFU-FUNVUKJBSA-N 2 2 318.408 3.824 20 0 DHADLP C[NH+](Cc1cscc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000356352956 1026029654 /nfs/dbraw/zinc/02/96/54/1026029654.db2.gz VQCOBUDGLGCIFU-FUNVUKJBSA-N 2 2 318.408 3.824 20 0 DHADLP c1ccc(COCCCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000924875119 1026046543 /nfs/dbraw/zinc/04/65/43/1026046543.db2.gz AEZOCWCWVZOYSU-UXHICEINSA-N 2 2 316.489 3.590 20 0 DHADLP c1ccc(COCCCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000924875119 1026046553 /nfs/dbraw/zinc/04/65/53/1026046553.db2.gz AEZOCWCWVZOYSU-UXHICEINSA-N 2 2 316.489 3.590 20 0 DHADLP c1ccc(COCCCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000924875117 1026047623 /nfs/dbraw/zinc/04/76/23/1026047623.db2.gz AEZOCWCWVZOYSU-PMACEKPBSA-N 2 2 316.489 3.590 20 0 DHADLP c1ccc(COCCCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000924875117 1026047631 /nfs/dbraw/zinc/04/76/31/1026047631.db2.gz AEZOCWCWVZOYSU-PMACEKPBSA-N 2 2 316.489 3.590 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccns1 ZINC000924876062 1026085555 /nfs/dbraw/zinc/08/55/55/1026085555.db2.gz ZSUQRSONNTYVEP-UONOGXRCSA-N 2 2 321.515 3.767 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccns1 ZINC000924876062 1026085573 /nfs/dbraw/zinc/08/55/73/1026085573.db2.gz ZSUQRSONNTYVEP-UONOGXRCSA-N 2 2 321.515 3.767 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000093644576 1026120197 /nfs/dbraw/zinc/12/01/97/1026120197.db2.gz RTDLZNJBDLLZJA-XHDPSFHLSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644576 1026120193 /nfs/dbraw/zinc/12/01/93/1026120193.db2.gz RTDLZNJBDLLZJA-XHDPSFHLSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000093644576 1026120200 /nfs/dbraw/zinc/12/02/00/1026120200.db2.gz RTDLZNJBDLLZJA-XHDPSFHLSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000093644576 1026120205 /nfs/dbraw/zinc/12/02/05/1026120205.db2.gz RTDLZNJBDLLZJA-XHDPSFHLSA-N 2 2 318.358 3.759 20 0 DHADLP CCC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000290039613 1026295995 /nfs/dbraw/zinc/29/59/95/1026295995.db2.gz NYFQGMXEXNOTRY-PKOBYXMFSA-N 2 2 316.489 3.731 20 0 DHADLP CCC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000290039613 1026296006 /nfs/dbraw/zinc/29/60/06/1026296006.db2.gz NYFQGMXEXNOTRY-PKOBYXMFSA-N 2 2 316.489 3.731 20 0 DHADLP CCC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000290039613 1026296013 /nfs/dbraw/zinc/29/60/13/1026296013.db2.gz NYFQGMXEXNOTRY-PKOBYXMFSA-N 2 2 316.489 3.731 20 0 DHADLP CCC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000290039613 1026296022 /nfs/dbraw/zinc/29/60/22/1026296022.db2.gz NYFQGMXEXNOTRY-PKOBYXMFSA-N 2 2 316.489 3.731 20 0 DHADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000808762635 1026379917 /nfs/dbraw/zinc/37/99/17/1026379917.db2.gz DUSWDXRIRWGZID-INIZCTEOSA-N 2 2 311.429 3.620 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1C ZINC000513527263 1026536348 /nfs/dbraw/zinc/53/63/48/1026536348.db2.gz RNKGXZSISXOAII-MFKMUULPSA-N 2 2 320.786 3.931 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[N@H+]1C ZINC000513527263 1026536357 /nfs/dbraw/zinc/53/63/57/1026536357.db2.gz RNKGXZSISXOAII-MFKMUULPSA-N 2 2 320.786 3.931 20 0 DHADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000809633497 1026579570 /nfs/dbraw/zinc/57/95/70/1026579570.db2.gz OZXRGKIBFZLBTI-UONOGXRCSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000809633497 1026579576 /nfs/dbraw/zinc/57/95/76/1026579576.db2.gz OZXRGKIBFZLBTI-UONOGXRCSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420308803 1026800274 /nfs/dbraw/zinc/80/02/74/1026800274.db2.gz OFFLBWDFJSGQEH-NEPJUHHUSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420308803 1026800283 /nfs/dbraw/zinc/80/02/83/1026800283.db2.gz OFFLBWDFJSGQEH-NEPJUHHUSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@H]1c2ccccc2C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420904196 1026875587 /nfs/dbraw/zinc/87/55/87/1026875587.db2.gz BWIWVIRXCJHUPF-KRWDZBQOSA-N 2 2 322.452 3.596 20 0 DHADLP C[C@H]1c2ccccc2C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420904196 1026875589 /nfs/dbraw/zinc/87/55/89/1026875589.db2.gz BWIWVIRXCJHUPF-KRWDZBQOSA-N 2 2 322.452 3.596 20 0 DHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C4CCCCC4)n3)C[C@@H]2C1 ZINC000931432800 1027123160 /nfs/dbraw/zinc/12/31/60/1027123160.db2.gz FMHVZYPTXCYZDR-CVEARBPZSA-N 2 2 319.518 3.574 20 0 DHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C4CCCCC4)n3)C[C@@H]2C1 ZINC000931432800 1027123168 /nfs/dbraw/zinc/12/31/68/1027123168.db2.gz FMHVZYPTXCYZDR-CVEARBPZSA-N 2 2 319.518 3.574 20 0 DHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C4CCCCC4)n3)C[C@@H]2C1 ZINC000931432800 1027123172 /nfs/dbraw/zinc/12/31/72/1027123172.db2.gz FMHVZYPTXCYZDR-CVEARBPZSA-N 2 2 319.518 3.574 20 0 DHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C4CCCCC4)n3)C[C@@H]2C1 ZINC000931432800 1027123178 /nfs/dbraw/zinc/12/31/78/1027123178.db2.gz FMHVZYPTXCYZDR-CVEARBPZSA-N 2 2 319.518 3.574 20 0 DHADLP CCC1([NH+]2CCCC2)CC[NH+](CCSc2ccncc2)CC1 ZINC000931466425 1027133191 /nfs/dbraw/zinc/13/31/91/1027133191.db2.gz VSTFIWLEYKUFCX-UHFFFAOYSA-N 2 2 319.518 3.514 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCC[C@@H]2C2CC2)c[nH+]1 ZINC000561987460 1027163118 /nfs/dbraw/zinc/16/31/18/1027163118.db2.gz IOMPQKTXWWLUEN-UXHICEINSA-N 2 2 309.457 3.990 20 0 DHADLP FC1(F)[C@@H]2C[C@@H](C[NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)C[C@@H]21 ZINC000931706935 1027224296 /nfs/dbraw/zinc/22/42/96/1027224296.db2.gz KOKXAJZIJCWVSQ-MXASKKJJSA-N 2 2 317.383 3.505 20 0 DHADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1coc(C(C)(C)C)n1 ZINC000931704664 1027226398 /nfs/dbraw/zinc/22/63/98/1027226398.db2.gz YNMINZNKBXKBEY-UHFFFAOYSA-N 2 2 307.482 3.670 20 0 DHADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1coc(C(C)(C)C)n1 ZINC000931704664 1027226406 /nfs/dbraw/zinc/22/64/06/1027226406.db2.gz YNMINZNKBXKBEY-UHFFFAOYSA-N 2 2 307.482 3.670 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(F)cc(Cl)c1)CCC2 ZINC000362510592 1027255704 /nfs/dbraw/zinc/25/57/04/1027255704.db2.gz LQLHKIDHZRQTJV-CYBMUJFWSA-N 2 2 307.800 3.651 20 0 DHADLP CC(C)Oc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422711282 1027300113 /nfs/dbraw/zinc/30/01/13/1027300113.db2.gz GVKCXOZZPWXQIL-VQIMIIECSA-N 2 2 312.457 3.522 20 0 DHADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000573513760 1027300749 /nfs/dbraw/zinc/30/07/49/1027300749.db2.gz CUPNHHGINSNFTL-ZBFHGGJFSA-N 2 2 301.409 3.926 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000573657054 1027315310 /nfs/dbraw/zinc/31/53/10/1027315310.db2.gz WBCFJYGZZOVNTF-KBPBESRZSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000573657054 1027315329 /nfs/dbraw/zinc/31/53/29/1027315329.db2.gz WBCFJYGZZOVNTF-KBPBESRZSA-N 2 2 314.395 3.568 20 0 DHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422863316 1027343093 /nfs/dbraw/zinc/34/30/93/1027343093.db2.gz OOFACWVSVQUTGT-SFTDATJTSA-N 3 2 323.484 3.761 20 0 DHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422863316 1027343114 /nfs/dbraw/zinc/34/31/14/1027343114.db2.gz OOFACWVSVQUTGT-SFTDATJTSA-N 3 2 323.484 3.761 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1F)C1C[NH2+]C1 ZINC000422924897 1027362518 /nfs/dbraw/zinc/36/25/18/1027362518.db2.gz ALMIDTCZOHYKBH-GFCCVEGCSA-N 2 2 318.823 3.844 20 0 DHADLP Cc1csc(C2([NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CCC2)n1 ZINC000422934864 1027365141 /nfs/dbraw/zinc/36/51/41/1027365141.db2.gz GNEBZWICNNNDIW-DZGCQCFKSA-N 2 2 307.507 3.731 20 0 DHADLP C[C@H]([NH2+][C@H](c1cc2ccccc2o1)c1ccccc1)C1C[NH2+]C1 ZINC000422930883 1027365542 /nfs/dbraw/zinc/36/55/42/1027365542.db2.gz WJKVHEJMMRVYON-XOBRGWDASA-N 2 2 306.409 3.720 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)ccc1OCC(C)C ZINC000422941151 1027368491 /nfs/dbraw/zinc/36/84/91/1027368491.db2.gz NWXFGHSPSDEDQZ-ZMSDIMECSA-N 2 2 320.477 3.521 20 0 DHADLP COC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000423131181 1027425880 /nfs/dbraw/zinc/42/58/80/1027425880.db2.gz ZNDBBKIAUYDXQW-BZSNNMDCSA-N 2 2 316.832 3.762 20 0 DHADLP [NH3+]CC[NH2+][C@@H](CCSc1ccccc1)c1ccc(F)cc1 ZINC000423175471 1027442328 /nfs/dbraw/zinc/44/23/28/1027442328.db2.gz APRTTZHHVJIZRK-KRWDZBQOSA-N 2 2 304.434 3.598 20 0 DHADLP [NH3+]CC[NH2+][C@H](CCSc1ccccc1)c1ccc(F)cc1 ZINC000423175472 1027442911 /nfs/dbraw/zinc/44/29/11/1027442911.db2.gz APRTTZHHVJIZRK-QGZVFWFLSA-N 2 2 304.434 3.598 20 0 DHADLP Cc1cccnc1CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000295835118 1027450646 /nfs/dbraw/zinc/45/06/46/1027450646.db2.gz AFBRSJJZYUJQIM-QGZVFWFLSA-N 2 2 320.440 3.859 20 0 DHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423234859 1027456818 /nfs/dbraw/zinc/45/68/18/1027456818.db2.gz MJDBJVZEJPENMM-CJNGLKHVSA-N 2 2 315.486 3.830 20 0 DHADLP CCC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccsc1 ZINC000423223554 1027464195 /nfs/dbraw/zinc/46/41/95/1027464195.db2.gz ALISECKGPVNEDY-INIZCTEOSA-N 2 2 316.474 3.506 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000295903176 1027485125 /nfs/dbraw/zinc/48/51/25/1027485125.db2.gz ZAZDZYIDJFZURF-YJBOKZPZSA-N 2 2 301.478 3.775 20 0 DHADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2ccccc2c1OC(F)F ZINC000423275627 1027492909 /nfs/dbraw/zinc/49/29/09/1027492909.db2.gz MACAQEPFUPHWJQ-MEDUHNTESA-N 2 2 320.383 3.829 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423370809 1027522835 /nfs/dbraw/zinc/52/28/35/1027522835.db2.gz UOHNLHMXZFINSM-XEZPLFJOSA-N 2 2 315.486 3.767 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423369805 1027523242 /nfs/dbraw/zinc/52/32/42/1027523242.db2.gz OSPNJTLOCFOXCI-JGVFFNPUSA-N 2 2 314.273 3.722 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423381614 1027528532 /nfs/dbraw/zinc/52/85/32/1027528532.db2.gz IDPYCXROXYUSSK-KDOFPFPSSA-N 2 2 317.864 3.606 20 0 DHADLP FC(F)(F)c1ccc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000575973561 1027536181 /nfs/dbraw/zinc/53/61/81/1027536181.db2.gz PVTBVBXAUYWONR-UHFFFAOYSA-N 2 2 303.353 3.533 20 0 DHADLP CC[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423463129 1027555863 /nfs/dbraw/zinc/55/58/63/1027555863.db2.gz LCWQIJSJTOPGMC-DOTOQJQBSA-N 2 2 320.383 3.704 20 0 DHADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(F)cc1OC(F)F ZINC000423494217 1027575462 /nfs/dbraw/zinc/57/54/62/1027575462.db2.gz ACUASMDBKJCKJR-IINYFYTJSA-N 2 2 316.367 3.595 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363543656 1027669545 /nfs/dbraw/zinc/66/95/45/1027669545.db2.gz FVDZTABFATUSOD-CFVMTHIKSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363543656 1027669551 /nfs/dbraw/zinc/66/95/51/1027669551.db2.gz FVDZTABFATUSOD-CFVMTHIKSA-N 2 2 308.853 3.626 20 0 DHADLP CCc1ccc([C@@H](C[NH2+][C@H]2CCCOCC2)[NH+](CC)CC)cc1 ZINC000577128997 1027711982 /nfs/dbraw/zinc/71/19/82/1027711982.db2.gz QVIMLJQXTMHUQD-VQTJNVASSA-N 2 2 318.505 3.791 20 0 DHADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170715150 1027779845 /nfs/dbraw/zinc/77/98/45/1027779845.db2.gz KZEDUGIJHVDNKB-KRWDZBQOSA-N 2 2 322.443 3.627 20 0 DHADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170715150 1027779865 /nfs/dbraw/zinc/77/98/65/1027779865.db2.gz KZEDUGIJHVDNKB-KRWDZBQOSA-N 2 2 322.443 3.627 20 0 DHADLP Cc1cc(NCc2cccc(C[NH+]3CCCC3)c2)nc(C2CC2)[nH+]1 ZINC000116259995 1027787037 /nfs/dbraw/zinc/78/70/37/1027787037.db2.gz PKZGGMALENDWKD-UHFFFAOYSA-N 2 2 322.456 3.870 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c(C)n1 ZINC000364348093 1027812528 /nfs/dbraw/zinc/81/25/28/1027812528.db2.gz QGXBYJMQJIOUCS-GOSISDBHSA-N 2 2 312.461 3.855 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c(C)n1 ZINC000364348093 1027812548 /nfs/dbraw/zinc/81/25/48/1027812548.db2.gz QGXBYJMQJIOUCS-GOSISDBHSA-N 2 2 312.461 3.855 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527681887 1027841108 /nfs/dbraw/zinc/84/11/08/1027841108.db2.gz KQJQQENRQDWNJS-IPZZXCBHSA-N 2 2 313.489 3.631 20 0 DHADLP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527810939 1027898107 /nfs/dbraw/zinc/89/81/07/1027898107.db2.gz WGFYYWUANUBGRD-SFHVURJKSA-N 2 2 302.462 3.580 20 0 DHADLP CC(C)Oc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810939 1027898131 /nfs/dbraw/zinc/89/81/31/1027898131.db2.gz WGFYYWUANUBGRD-SFHVURJKSA-N 2 2 302.462 3.580 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C2)c1 ZINC000527806046 1027905872 /nfs/dbraw/zinc/90/58/72/1027905872.db2.gz COBFBIOYFQFGFS-KPFFTGBYSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C2)c1 ZINC000527806046 1027905888 /nfs/dbraw/zinc/90/58/88/1027905888.db2.gz COBFBIOYFQFGFS-KPFFTGBYSA-N 2 2 313.489 3.714 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CCS2 ZINC000779027152 1027916639 /nfs/dbraw/zinc/91/66/39/1027916639.db2.gz LXUKMBYLFALNOM-RDJZCZTQSA-N 2 2 304.503 3.914 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CCS2 ZINC000779027152 1027916650 /nfs/dbraw/zinc/91/66/50/1027916650.db2.gz LXUKMBYLFALNOM-RDJZCZTQSA-N 2 2 304.503 3.914 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CC12CC2 ZINC000527898136 1027948071 /nfs/dbraw/zinc/94/80/71/1027948071.db2.gz UTGPVZSCFAKNJJ-GALLPEHLSA-N 2 2 316.411 3.570 20 0 DHADLP C([NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954468 1027987750 /nfs/dbraw/zinc/98/77/50/1027987750.db2.gz ZQNAFKPWOKOYEJ-RSPOEFSDSA-N 2 2 320.521 3.578 20 0 DHADLP C([NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527954468 1027987769 /nfs/dbraw/zinc/98/77/69/1027987769.db2.gz ZQNAFKPWOKOYEJ-RSPOEFSDSA-N 2 2 320.521 3.578 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000577958533 1028002912 /nfs/dbraw/zinc/00/29/12/1028002912.db2.gz OZKYJKUWFVTBSX-QAPCUYQASA-N 2 2 318.367 3.964 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000577958533 1028002927 /nfs/dbraw/zinc/00/29/27/1028002927.db2.gz OZKYJKUWFVTBSX-QAPCUYQASA-N 2 2 318.367 3.964 20 0 DHADLP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527998573 1028021357 /nfs/dbraw/zinc/02/13/57/1028021357.db2.gz DUSQSAGNZJQVGL-KGXSXCIVSA-N 2 2 320.521 3.863 20 0 DHADLP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527998573 1028021376 /nfs/dbraw/zinc/02/13/76/1028021376.db2.gz DUSQSAGNZJQVGL-KGXSXCIVSA-N 2 2 320.521 3.863 20 0 DHADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366427411 1028077489 /nfs/dbraw/zinc/07/74/89/1028077489.db2.gz BVPRHCYWTDFROB-FAFZWHIHSA-N 2 2 314.473 3.815 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000367063913 1028130925 /nfs/dbraw/zinc/13/09/25/1028130925.db2.gz APFQPSOMZRLKGQ-KYJSFNMBSA-N 2 2 324.896 3.736 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000367063913 1028130935 /nfs/dbraw/zinc/13/09/35/1028130935.db2.gz APFQPSOMZRLKGQ-KYJSFNMBSA-N 2 2 324.896 3.736 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101357 1028298817 /nfs/dbraw/zinc/29/88/17/1028298817.db2.gz SVGUJJZEDKDQSK-JQWIXIFHSA-N 2 2 318.490 3.680 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101765 1028299378 /nfs/dbraw/zinc/29/93/78/1028299378.db2.gz LEMNZPUJZHWSPO-SLEUVZQESA-N 2 2 303.837 3.702 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)cc1 ZINC000368102260 1028300364 /nfs/dbraw/zinc/30/03/64/1028300364.db2.gz XSHAKBCWDQOVKB-WIYYLYMNSA-N 2 2 317.436 3.955 20 0 DHADLP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(F)c1 ZINC000368101518 1028300877 /nfs/dbraw/zinc/30/08/77/1028300877.db2.gz KXAUOFOOQMOVNV-SJKOYZFVSA-N 2 2 305.372 3.532 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(F)F)cc1 ZINC000368104368 1028302753 /nfs/dbraw/zinc/30/27/53/1028302753.db2.gz FLJOWAVMOXOHJQ-OCCSQVGLSA-N 2 2 321.371 3.609 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102783 1028303064 /nfs/dbraw/zinc/30/30/64/1028303064.db2.gz PTJNQWQBXFTRCV-YPMHNXCESA-N 2 2 323.362 3.507 20 0 DHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000368105388 1028303131 /nfs/dbraw/zinc/30/31/31/1028303131.db2.gz RFKYYEVMASRIJD-NEPJUHHUSA-N 2 2 321.371 3.528 20 0 DHADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103647 1028304946 /nfs/dbraw/zinc/30/49/46/1028304946.db2.gz XSGFFMNDCWGVPI-OLZOCXBDSA-N 2 2 309.413 3.926 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000449051970 1028316659 /nfs/dbraw/zinc/31/66/59/1028316659.db2.gz YLQFOLKWUUXLGU-ICSRJNTNSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000449051970 1028316676 /nfs/dbraw/zinc/31/66/76/1028316676.db2.gz YLQFOLKWUUXLGU-ICSRJNTNSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000449051970 1028316688 /nfs/dbraw/zinc/31/66/88/1028316688.db2.gz YLQFOLKWUUXLGU-ICSRJNTNSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000449051970 1028316702 /nfs/dbraw/zinc/31/67/02/1028316702.db2.gz YLQFOLKWUUXLGU-ICSRJNTNSA-N 2 2 324.468 3.765 20 0 DHADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449078086 1028341058 /nfs/dbraw/zinc/34/10/58/1028341058.db2.gz UHBDOZWPPFEIOL-LRYGQEGESA-N 2 2 308.510 3.721 20 0 DHADLP FC(F)(F)c1ccc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000368399008 1028349177 /nfs/dbraw/zinc/34/91/77/1028349177.db2.gz HDPXNIASZJRXEW-OAHLLOKOSA-N 2 2 323.362 3.782 20 0 DHADLP FC(F)(F)c1ccc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000368399008 1028349196 /nfs/dbraw/zinc/34/91/96/1028349196.db2.gz HDPXNIASZJRXEW-OAHLLOKOSA-N 2 2 323.362 3.782 20 0 DHADLP C[C@@H](C[NH2+]CCCCNc1cccc[nH+]1)c1cc(F)cc(F)c1 ZINC000449120328 1028374184 /nfs/dbraw/zinc/37/41/84/1028374184.db2.gz CNZAJRGAVQFWRK-AWEZNQCLSA-N 2 2 319.399 3.945 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000449331673 1028542841 /nfs/dbraw/zinc/54/28/41/1028542841.db2.gz OXVJLXZEXYZLPF-KXBFYZLASA-N 2 2 312.457 3.620 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000449331673 1028542848 /nfs/dbraw/zinc/54/28/48/1028542848.db2.gz OXVJLXZEXYZLPF-KXBFYZLASA-N 2 2 312.457 3.620 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000449331673 1028542860 /nfs/dbraw/zinc/54/28/60/1028542860.db2.gz OXVJLXZEXYZLPF-KXBFYZLASA-N 2 2 312.457 3.620 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000449331673 1028542868 /nfs/dbraw/zinc/54/28/68/1028542868.db2.gz OXVJLXZEXYZLPF-KXBFYZLASA-N 2 2 312.457 3.620 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000528601725 1028582618 /nfs/dbraw/zinc/58/26/18/1028582618.db2.gz HAUQINJBHCFEIO-ZDUSSCGKSA-N 2 2 303.475 3.605 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000528601725 1028582629 /nfs/dbraw/zinc/58/26/29/1028582629.db2.gz HAUQINJBHCFEIO-ZDUSSCGKSA-N 2 2 303.475 3.605 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccsc2S1 ZINC000565451952 1028589175 /nfs/dbraw/zinc/58/91/75/1028589175.db2.gz WJKCZHMFGMMDNY-OPQQBVKSSA-N 2 2 305.472 3.544 20 0 DHADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370627329 1028627238 /nfs/dbraw/zinc/62/72/38/1028627238.db2.gz AMOOYHMKCZNYTI-WIYYLYMNSA-N 2 2 321.468 3.571 20 0 DHADLP c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370627329 1028627242 /nfs/dbraw/zinc/62/72/42/1028627242.db2.gz AMOOYHMKCZNYTI-WIYYLYMNSA-N 2 2 321.468 3.571 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC(C)(C)C1 ZINC000370636870 1028628347 /nfs/dbraw/zinc/62/83/47/1028628347.db2.gz VJYLPZOSMABVPV-BVBHFADKSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC(C)(C)C1 ZINC000370636870 1028628358 /nfs/dbraw/zinc/62/83/58/1028628358.db2.gz VJYLPZOSMABVPV-BVBHFADKSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCC[C@H]1C ZINC000449434907 1028637169 /nfs/dbraw/zinc/63/71/69/1028637169.db2.gz TZODSIFNABYYOO-JFIYKMOQSA-N 2 2 301.478 3.855 20 0 DHADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566010430 1028667891 /nfs/dbraw/zinc/66/78/91/1028667891.db2.gz VEZSPFQMONNEMX-BBRMVZONSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566010430 1028667895 /nfs/dbraw/zinc/66/78/95/1028667895.db2.gz VEZSPFQMONNEMX-BBRMVZONSA-N 2 2 323.278 3.586 20 0 DHADLP CCc1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)cs1 ZINC000371076599 1028668511 /nfs/dbraw/zinc/66/85/11/1028668511.db2.gz RSEAYEQHKUMZAC-OAHLLOKOSA-N 2 2 318.490 3.690 20 0 DHADLP CCc1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)cs1 ZINC000371076599 1028668521 /nfs/dbraw/zinc/66/85/21/1028668521.db2.gz RSEAYEQHKUMZAC-OAHLLOKOSA-N 2 2 318.490 3.690 20 0 DHADLP c1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c2)nc1 ZINC000566225484 1028690515 /nfs/dbraw/zinc/69/05/15/1028690515.db2.gz QBQOCOYJSHHLMS-SFTDATJTSA-N 2 2 321.468 3.855 20 0 DHADLP c1ccc(-c2cccc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c2)nc1 ZINC000566225484 1028690526 /nfs/dbraw/zinc/69/05/26/1028690526.db2.gz QBQOCOYJSHHLMS-SFTDATJTSA-N 2 2 321.468 3.855 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000566793461 1028783642 /nfs/dbraw/zinc/78/36/42/1028783642.db2.gz IRPHQVVAAKWPGS-UZLBHIALSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000566793461 1028783658 /nfs/dbraw/zinc/78/36/58/1028783658.db2.gz IRPHQVVAAKWPGS-UZLBHIALSA-N 2 2 321.468 3.996 20 0 DHADLP C[N@@H+](Cc1csc(C(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000628140844 1028904114 /nfs/dbraw/zinc/90/41/14/1028904114.db2.gz ZWKYNKDNHHSFOF-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[N@H+](Cc1csc(C(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000628140844 1028904130 /nfs/dbraw/zinc/90/41/30/1028904130.db2.gz ZWKYNKDNHHSFOF-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1csc(C(F)(F)F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000628140844 1028904146 /nfs/dbraw/zinc/90/41/46/1028904146.db2.gz ZWKYNKDNHHSFOF-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1csc(C(F)(F)F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000628140844 1028904154 /nfs/dbraw/zinc/90/41/54/1028904154.db2.gz ZWKYNKDNHHSFOF-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[N@@H+](Cc1csc(C(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000628140845 1028904731 /nfs/dbraw/zinc/90/47/31/1028904731.db2.gz ZWKYNKDNHHSFOF-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[N@H+](Cc1csc(C(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000628140845 1028904737 /nfs/dbraw/zinc/90/47/37/1028904737.db2.gz ZWKYNKDNHHSFOF-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1csc(C(F)(F)F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000628140845 1028904751 /nfs/dbraw/zinc/90/47/51/1028904751.db2.gz ZWKYNKDNHHSFOF-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1csc(C(F)(F)F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000628140845 1028904761 /nfs/dbraw/zinc/90/47/61/1028904761.db2.gz ZWKYNKDNHHSFOF-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP FC(F)(F)c1cccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000628147774 1028907985 /nfs/dbraw/zinc/90/79/85/1028907985.db2.gz XAPYFODWZCQTLR-AWEZNQCLSA-N 2 2 323.362 3.851 20 0 DHADLP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000628147774 1028908002 /nfs/dbraw/zinc/90/80/02/1028908002.db2.gz XAPYFODWZCQTLR-AWEZNQCLSA-N 2 2 323.362 3.851 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccccc1C(F)(F)F)CCC2 ZINC000372951054 1028922775 /nfs/dbraw/zinc/92/27/75/1028922775.db2.gz QXIRFJZBEUGXIJ-AWEZNQCLSA-N 2 2 323.362 3.878 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000567750489 1028946662 /nfs/dbraw/zinc/94/66/62/1028946662.db2.gz ZKGXQUKSAFQKBT-FXAWDEMLSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000567750489 1028946675 /nfs/dbraw/zinc/94/66/75/1028946675.db2.gz ZKGXQUKSAFQKBT-FXAWDEMLSA-N 2 2 321.468 3.996 20 0 DHADLP C[C@@]1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCS1 ZINC000628279560 1028988580 /nfs/dbraw/zinc/98/85/80/1028988580.db2.gz PDONNPVSOYKBIS-KRWDZBQOSA-N 2 2 307.507 3.661 20 0 DHADLP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@@H]21 ZINC000568065415 1029001462 /nfs/dbraw/zinc/00/14/62/1029001462.db2.gz PPASCCOFVCIALZ-CJNGLKHVSA-N 2 2 315.848 3.809 20 0 DHADLP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@@H]21 ZINC000568065415 1029001474 /nfs/dbraw/zinc/00/14/74/1029001474.db2.gz PPASCCOFVCIALZ-CJNGLKHVSA-N 2 2 315.848 3.809 20 0 DHADLP Cc1c([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cnn1C(C)(C)C ZINC000373518581 1029067628 /nfs/dbraw/zinc/06/76/28/1029067628.db2.gz DCSIGFQXZSROGE-ODIFPOPNSA-N 2 2 318.509 3.614 20 0 DHADLP c1ccc2c(c1)CCSC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373523980 1029069962 /nfs/dbraw/zinc/06/99/62/1029069962.db2.gz QPSQTMFPPUDSBV-TVPLGVNVSA-N 2 2 316.514 3.624 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1ccccc1OC(F)F ZINC000568568398 1029092168 /nfs/dbraw/zinc/09/21/68/1029092168.db2.gz AHLMINZRXCWXCT-SYCZXOQXSA-N 2 2 324.415 3.765 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1ccccc1OC(F)F ZINC000568568398 1029092188 /nfs/dbraw/zinc/09/21/88/1029092188.db2.gz AHLMINZRXCWXCT-SYCZXOQXSA-N 2 2 324.415 3.765 20 0 DHADLP Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000411288845 1029092690 /nfs/dbraw/zinc/09/26/90/1029092690.db2.gz FQRQXCCTRANCKN-FHLIZLRMSA-N 2 2 311.404 3.511 20 0 DHADLP Fc1cccc([C@@H]2C[C@H]2[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000411288845 1029092706 /nfs/dbraw/zinc/09/27/06/1029092706.db2.gz FQRQXCCTRANCKN-FHLIZLRMSA-N 2 2 311.404 3.511 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000568699382 1029114156 /nfs/dbraw/zinc/11/41/56/1029114156.db2.gz SKBGECAKICRLPQ-ZVHGMHCTSA-N 2 2 324.415 3.764 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000568699382 1029114169 /nfs/dbraw/zinc/11/41/69/1029114169.db2.gz SKBGECAKICRLPQ-ZVHGMHCTSA-N 2 2 324.415 3.764 20 0 DHADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000779349294 1029185193 /nfs/dbraw/zinc/18/51/93/1029185193.db2.gz YCGNASRXTULOAO-KXBFYZLASA-N 2 2 302.437 3.836 20 0 DHADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000779349294 1029185201 /nfs/dbraw/zinc/18/52/01/1029185201.db2.gz YCGNASRXTULOAO-KXBFYZLASA-N 2 2 302.437 3.836 20 0 DHADLP COc1ccccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000374268841 1029265427 /nfs/dbraw/zinc/26/54/27/1029265427.db2.gz HRBRVRVZSLTRDZ-KRWDZBQOSA-N 2 2 313.445 3.852 20 0 DHADLP COc1ccccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000374268841 1029265441 /nfs/dbraw/zinc/26/54/41/1029265441.db2.gz HRBRVRVZSLTRDZ-KRWDZBQOSA-N 2 2 313.445 3.852 20 0 DHADLP C[C@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817924195 1029276521 /nfs/dbraw/zinc/27/65/21/1029276521.db2.gz GGYMOHZDQVTMCD-NDXORKPFSA-N 2 2 324.468 3.507 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000817941888 1029282432 /nfs/dbraw/zinc/28/24/32/1029282432.db2.gz SUDVQIVYRPFSOC-WFASDCNBSA-N 2 2 312.429 3.720 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000817955173 1029294489 /nfs/dbraw/zinc/29/44/89/1029294489.db2.gz RSVGWCMJMFKUGD-MOPGFXCFSA-N 2 2 310.441 3.752 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1SC(C)(C)C ZINC000817981587 1029319441 /nfs/dbraw/zinc/31/94/41/1029319441.db2.gz LRGUAJAUMMCYQF-GJZGRUSLSA-N 2 2 322.518 3.606 20 0 DHADLP C[C@@H]([NH3+])CCNc1ccc2[nH+]c(-c3ccc(Cl)cc3)cn2c1 ZINC001170890372 1029347656 /nfs/dbraw/zinc/34/76/56/1029347656.db2.gz IXFAIRGYTLKSMH-GFCCVEGCSA-N 2 2 314.820 3.804 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@@H](C)c1nc2ccccc2s1 ZINC000629542113 1029362674 /nfs/dbraw/zinc/36/26/74/1029362674.db2.gz YLQLWANRFZLPNF-SYQHCUMBSA-N 2 2 303.475 3.518 20 0 DHADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562910 1029373414 /nfs/dbraw/zinc/37/34/14/1029373414.db2.gz OGQNBFLBXJSCRP-SCDSUCTJSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562910 1029373426 /nfs/dbraw/zinc/37/34/26/1029373426.db2.gz OGQNBFLBXJSCRP-SCDSUCTJSA-N 2 2 320.786 3.860 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+][C@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000570503663 1029375745 /nfs/dbraw/zinc/37/57/45/1029375745.db2.gz KGWAFNMRKMJTAJ-GMXGEUMGSA-N 2 2 320.427 3.817 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+][C@H]3CC[N@H+](C4CCCC4)C3)C2)c1 ZINC000570503663 1029375762 /nfs/dbraw/zinc/37/57/62/1029375762.db2.gz KGWAFNMRKMJTAJ-GMXGEUMGSA-N 2 2 320.427 3.817 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000570515790 1029379171 /nfs/dbraw/zinc/37/91/71/1029379171.db2.gz STFMRZIRBADXBY-ROUUACIJSA-N 2 2 324.468 3.668 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC(F)(F)C1 ZINC000529539916 1029379238 /nfs/dbraw/zinc/37/92/38/1029379238.db2.gz BVOUVRAXLBPLPM-ZIAGYGMSSA-N 2 2 323.431 3.630 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000570515790 1029379181 /nfs/dbraw/zinc/37/91/81/1029379181.db2.gz STFMRZIRBADXBY-ROUUACIJSA-N 2 2 324.468 3.668 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC(F)(F)C1 ZINC000529539914 1029381904 /nfs/dbraw/zinc/38/19/04/1029381904.db2.gz BVOUVRAXLBPLPM-KGLIPLIRSA-N 2 2 323.431 3.630 20 0 DHADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657333 1029409282 /nfs/dbraw/zinc/40/92/82/1029409282.db2.gz WRCYEXSQYKBGHZ-TZMCWYRMSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629657333 1029409292 /nfs/dbraw/zinc/40/92/92/1029409292.db2.gz WRCYEXSQYKBGHZ-TZMCWYRMSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)ccn1 ZINC000529568301 1029428676 /nfs/dbraw/zinc/42/86/76/1029428676.db2.gz WWGVYTYJAVSSFN-VQTJNVASSA-N 2 2 318.424 3.605 20 0 DHADLP CCC(CC)(CC)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000374684753 1029432352 /nfs/dbraw/zinc/43/23/52/1029432352.db2.gz XCOITMJROQJRRK-FUHWJXTLSA-N 2 2 320.525 3.609 20 0 DHADLP CCC(CC)(CC)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000374684753 1029432356 /nfs/dbraw/zinc/43/23/56/1029432356.db2.gz XCOITMJROQJRRK-FUHWJXTLSA-N 2 2 320.525 3.609 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC2CC2)C[C@H]1C ZINC000450466901 1029495264 /nfs/dbraw/zinc/49/52/64/1029495264.db2.gz KDBQZYJRSQBRIJ-NVXWUHKLSA-N 2 2 302.462 3.532 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC2CC2)C[C@H]1C ZINC000450466901 1029495271 /nfs/dbraw/zinc/49/52/71/1029495271.db2.gz KDBQZYJRSQBRIJ-NVXWUHKLSA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OC2CC2)C[C@H]1C ZINC000450466901 1029495280 /nfs/dbraw/zinc/49/52/80/1029495280.db2.gz KDBQZYJRSQBRIJ-NVXWUHKLSA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OC2CC2)C[C@H]1C ZINC000450466901 1029495286 /nfs/dbraw/zinc/49/52/86/1029495286.db2.gz KDBQZYJRSQBRIJ-NVXWUHKLSA-N 2 2 302.462 3.532 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450632124 1029588547 /nfs/dbraw/zinc/58/85/47/1029588547.db2.gz LGTFDKOVVHBYKC-LSDHHAIUSA-N 2 2 311.420 3.500 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450632124 1029588551 /nfs/dbraw/zinc/58/85/51/1029588551.db2.gz LGTFDKOVVHBYKC-LSDHHAIUSA-N 2 2 311.420 3.500 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)CCc1c(Cl)cccc1Cl ZINC000450636188 1029591228 /nfs/dbraw/zinc/59/12/28/1029591228.db2.gz NGEIGQGASWEHKA-UHFFFAOYSA-N 2 2 312.244 3.755 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1c(Cl)cccc1Cl ZINC000450636188 1029591236 /nfs/dbraw/zinc/59/12/36/1029591236.db2.gz NGEIGQGASWEHKA-UHFFFAOYSA-N 2 2 312.244 3.755 20 0 DHADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC000450874463 1029719777 /nfs/dbraw/zinc/71/97/77/1029719777.db2.gz MEZUFMOUDOLKRL-KRWDZBQOSA-N 2 2 319.518 3.706 20 0 DHADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC000450874463 1029719786 /nfs/dbraw/zinc/71/97/86/1029719786.db2.gz MEZUFMOUDOLKRL-KRWDZBQOSA-N 2 2 319.518 3.706 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000450874463 1029719796 /nfs/dbraw/zinc/71/97/96/1029719796.db2.gz MEZUFMOUDOLKRL-KRWDZBQOSA-N 2 2 319.518 3.706 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450874463 1029719803 /nfs/dbraw/zinc/71/98/03/1029719803.db2.gz MEZUFMOUDOLKRL-KRWDZBQOSA-N 2 2 319.518 3.706 20 0 DHADLP C[C@@H](CC1CC1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373486283 1029779085 /nfs/dbraw/zinc/77/90/85/1029779085.db2.gz RGVZZYOKEWZWDQ-QGLTVNCISA-N 2 2 304.400 3.570 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)(F)F)cc1 ZINC000530222781 1029781743 /nfs/dbraw/zinc/78/17/43/1029781743.db2.gz RQGFXSZBUZFHEM-FZMZJTMJSA-N 2 2 314.351 3.520 20 0 DHADLP CCC[C@@H](CC)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001257246723 1029994478 /nfs/dbraw/zinc/99/44/78/1029994478.db2.gz MFIGWPKDKPETAE-CYBMUJFWSA-N 2 2 315.552 3.606 20 0 DHADLP Fc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865817103 1030040356 /nfs/dbraw/zinc/04/03/56/1030040356.db2.gz AMRGVZUJMZFCQO-CHWSQXEVSA-N 2 2 317.235 3.849 20 0 DHADLP Fc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865817103 1030040362 /nfs/dbraw/zinc/04/03/62/1030040362.db2.gz AMRGVZUJMZFCQO-CHWSQXEVSA-N 2 2 317.235 3.849 20 0 DHADLP Fc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865817105 1030041896 /nfs/dbraw/zinc/04/18/96/1030041896.db2.gz AMRGVZUJMZFCQO-OLZOCXBDSA-N 2 2 317.235 3.849 20 0 DHADLP Fc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865817105 1030041912 /nfs/dbraw/zinc/04/19/12/1030041912.db2.gz AMRGVZUJMZFCQO-OLZOCXBDSA-N 2 2 317.235 3.849 20 0 DHADLP Fc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865817108 1030042283 /nfs/dbraw/zinc/04/22/83/1030042283.db2.gz AMRGVZUJMZFCQO-STQMWFEESA-N 2 2 317.235 3.849 20 0 DHADLP Fc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000865817108 1030042294 /nfs/dbraw/zinc/04/22/94/1030042294.db2.gz AMRGVZUJMZFCQO-STQMWFEESA-N 2 2 317.235 3.849 20 0 DHADLP Fc1cccc(CC2CC[NH+](CCCn3cc[nH+]c3)CC2)c1F ZINC000451959418 1030067425 /nfs/dbraw/zinc/06/74/25/1030067425.db2.gz NLFAHHHQINJFQV-UHFFFAOYSA-N 2 2 319.399 3.506 20 0 DHADLP CCc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cccnc2)cc1 ZINC000924535487 1030115735 /nfs/dbraw/zinc/11/57/35/1030115735.db2.gz WUMSXAGQBGVKJO-HXUWFJFHSA-N 2 2 320.440 3.610 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924628084 1030144698 /nfs/dbraw/zinc/14/46/98/1030144698.db2.gz GYQKKOJCWWMRFU-QGZVFWFLSA-N 2 2 321.896 3.822 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245820324 1030144822 /nfs/dbraw/zinc/14/48/22/1030144822.db2.gz DTUHHGRIGQQJJL-KBPBESRZSA-N 2 2 319.399 3.714 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245820324 1030144832 /nfs/dbraw/zinc/14/48/32/1030144832.db2.gz DTUHHGRIGQQJJL-KBPBESRZSA-N 2 2 319.399 3.714 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ncco1 ZINC000924668476 1030155417 /nfs/dbraw/zinc/15/54/17/1030155417.db2.gz QKZGDWIFOMSUNF-CVEARBPZSA-N 2 2 313.445 3.757 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ncco1 ZINC000924668476 1030155421 /nfs/dbraw/zinc/15/54/21/1030155421.db2.gz QKZGDWIFOMSUNF-CVEARBPZSA-N 2 2 313.445 3.757 20 0 DHADLP c1cn(CCC[NH2+][C@H](CCc2ccccc2)c2ccccn2)c[nH+]1 ZINC000866213019 1030163139 /nfs/dbraw/zinc/16/31/39/1030163139.db2.gz PWIWATNGUUNEQJ-HXUWFJFHSA-N 2 2 320.440 3.632 20 0 DHADLP Fc1cccc2c1CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000866229081 1030168903 /nfs/dbraw/zinc/16/89/03/1030168903.db2.gz MPJCFEONEIZFAP-SFHVURJKSA-N 2 2 313.420 3.568 20 0 DHADLP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000866261731 1030185959 /nfs/dbraw/zinc/18/59/59/1030185959.db2.gz WGBAFGCLHMUCKY-HZPDHXFCSA-N 2 2 311.473 3.628 20 0 DHADLP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000866261731 1030185964 /nfs/dbraw/zinc/18/59/64/1030185964.db2.gz WGBAFGCLHMUCKY-HZPDHXFCSA-N 2 2 311.473 3.628 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(C)ccc1OC ZINC000357787913 1030190218 /nfs/dbraw/zinc/19/02/18/1030190218.db2.gz CFIDEHKRLJQCGW-BZSNNMDCSA-N 2 2 302.462 3.671 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(C)ccc1OC ZINC000357787913 1030190226 /nfs/dbraw/zinc/19/02/26/1030190226.db2.gz CFIDEHKRLJQCGW-BZSNNMDCSA-N 2 2 302.462 3.671 20 0 DHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2oc3ccccc3c2C)CC1 ZINC000357796657 1030191876 /nfs/dbraw/zinc/19/18/76/1030191876.db2.gz RKVJGUKZWHZVLY-HNNXBMFYSA-N 2 2 316.445 3.503 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccns1 ZINC000924876061 1030212907 /nfs/dbraw/zinc/21/29/07/1030212907.db2.gz ZSUQRSONNTYVEP-KGLIPLIRSA-N 2 2 321.515 3.767 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccns1 ZINC000924876061 1030212924 /nfs/dbraw/zinc/21/29/24/1030212924.db2.gz ZSUQRSONNTYVEP-KGLIPLIRSA-N 2 2 321.515 3.767 20 0 DHADLP C[C@H](CCc1cncc2ccccc21)[NH2+]CC1([NH+](C)C)CCC1 ZINC000866344437 1030242767 /nfs/dbraw/zinc/24/27/67/1030242767.db2.gz UTQNTCBEUUWISA-MRXNPFEDSA-N 2 2 311.473 3.630 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCc3cccc4cccc1c43)CC2 ZINC000866343320 1030243910 /nfs/dbraw/zinc/24/39/10/1030243910.db2.gz LZEKACCINPKSPE-AEFFLSMTSA-N 2 2 303.409 3.628 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3csc(C)n3)o2)[C@@H](C)C1 ZINC000358015860 1030278956 /nfs/dbraw/zinc/27/89/56/1030278956.db2.gz FXMSOHBCLVWWST-WFASDCNBSA-N 2 2 319.474 3.531 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3csc(C)n3)o2)[C@@H](C)C1 ZINC000358015860 1030278969 /nfs/dbraw/zinc/27/89/69/1030278969.db2.gz FXMSOHBCLVWWST-WFASDCNBSA-N 2 2 319.474 3.531 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)c1ccccc1 ZINC000925177292 1030291427 /nfs/dbraw/zinc/29/14/27/1030291427.db2.gz BWHGEWVPNZQUQW-NQYYFHDYSA-N 2 2 307.441 3.648 20 0 DHADLP Cc1cccc([C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c2ccccn2)c1 ZINC000925224131 1030311747 /nfs/dbraw/zinc/31/17/47/1030311747.db2.gz XVSASSFOQNBOPC-ZJOUEHCJSA-N 2 2 323.484 3.942 20 0 DHADLP C[N@H+](CCC[NH2+]Cc1ccnc(Cl)c1F)C1CCCCC1 ZINC000823595957 1030335765 /nfs/dbraw/zinc/33/57/65/1030335765.db2.gz BTKDWDYBLGNNMD-UHFFFAOYSA-N 2 2 313.848 3.618 20 0 DHADLP C[N@@H+](CCC[NH2+]Cc1ccnc(Cl)c1F)C1CCCCC1 ZINC000823595957 1030335778 /nfs/dbraw/zinc/33/57/78/1030335778.db2.gz BTKDWDYBLGNNMD-UHFFFAOYSA-N 2 2 313.848 3.618 20 0 DHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925517920 1030384092 /nfs/dbraw/zinc/38/40/92/1030384092.db2.gz OVWKLUNTZGGFRT-PNHOKKKMSA-N 2 2 310.441 3.751 20 0 DHADLP Clc1cccc2c1CC[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)C2 ZINC001171034822 1030409752 /nfs/dbraw/zinc/40/97/52/1030409752.db2.gz ZHXNGDJVWOOUCY-OAHLLOKOSA-N 2 2 311.816 3.635 20 0 DHADLP C[C@H]([NH3+])[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1 ZINC000925592675 1030413935 /nfs/dbraw/zinc/41/39/35/1030413935.db2.gz AIFFQJDNKUFHGM-KXBFYZLASA-N 2 2 310.445 3.572 20 0 DHADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000925698501 1030458682 /nfs/dbraw/zinc/45/86/82/1030458682.db2.gz FMLOUKAYYXXWPY-WLRLJWMZSA-N 2 2 324.468 3.634 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000925771951 1030489630 /nfs/dbraw/zinc/48/96/30/1030489630.db2.gz PJHSQKRPJLVJAI-NEPJUHHUSA-N 2 2 312.442 3.555 20 0 DHADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455505586 1030495957 /nfs/dbraw/zinc/49/59/57/1030495957.db2.gz XTTSIWFLSLNACY-UHFFFAOYSA-N 2 2 320.481 3.593 20 0 DHADLP Clc1ccccc1-c1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000072726545 1030579073 /nfs/dbraw/zinc/57/90/73/1030579073.db2.gz NTQVAGXGQYZOKC-UHFFFAOYSA-N 2 2 301.777 3.586 20 0 DHADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1cncc2ccccc21 ZINC000824559377 1030583112 /nfs/dbraw/zinc/58/31/12/1030583112.db2.gz RHJXKXKVZXYUAB-IBGZPJMESA-N 2 2 311.473 3.835 20 0 DHADLP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000926109760 1030618488 /nfs/dbraw/zinc/61/84/88/1030618488.db2.gz LYRAWKIECAEKPJ-YRXWBPOGSA-N 2 2 308.510 3.577 20 0 DHADLP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000926109760 1030618491 /nfs/dbraw/zinc/61/84/91/1030618491.db2.gz LYRAWKIECAEKPJ-YRXWBPOGSA-N 2 2 308.510 3.577 20 0 DHADLP CCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246524719 1030634350 /nfs/dbraw/zinc/63/43/50/1030634350.db2.gz JBHBWWNWEPRBRT-QFBILLFUSA-N 2 2 314.473 3.534 20 0 DHADLP CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246524719 1030634358 /nfs/dbraw/zinc/63/43/58/1030634358.db2.gz JBHBWWNWEPRBRT-QFBILLFUSA-N 2 2 314.473 3.534 20 0 DHADLP CCOc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246524719 1030634361 /nfs/dbraw/zinc/63/43/61/1030634361.db2.gz JBHBWWNWEPRBRT-QFBILLFUSA-N 2 2 314.473 3.534 20 0 DHADLP CCOc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246524719 1030634371 /nfs/dbraw/zinc/63/43/71/1030634371.db2.gz JBHBWWNWEPRBRT-QFBILLFUSA-N 2 2 314.473 3.534 20 0 DHADLP CC(C)(C)OC1CC(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926287152 1030687984 /nfs/dbraw/zinc/68/79/84/1030687984.db2.gz SUYJPEJXWCCEDL-ZGUYJTEBSA-N 2 2 308.510 3.577 20 0 DHADLP CC(C)(C)OC1CC(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926287152 1030687994 /nfs/dbraw/zinc/68/79/94/1030687994.db2.gz SUYJPEJXWCCEDL-ZGUYJTEBSA-N 2 2 308.510 3.577 20 0 DHADLP CCc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c2cccnc2)cc1 ZINC000926468623 1030752442 /nfs/dbraw/zinc/75/24/42/1030752442.db2.gz BYTDAKZPVZFZNS-OXQOHEQNSA-N 2 2 311.473 3.521 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001171096713 1030908732 /nfs/dbraw/zinc/90/87/32/1030908732.db2.gz VVXHSOPSRBFSIP-GOSISDBHSA-N 2 2 306.881 3.663 20 0 DHADLP CC(C)(C)OC1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926785510 1030925298 /nfs/dbraw/zinc/92/52/98/1030925298.db2.gz MCSMNJHKLOGGAX-FOIPXRHGSA-N 2 2 308.510 3.719 20 0 DHADLP CC(C)(C)OC1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926785510 1030925309 /nfs/dbraw/zinc/92/53/09/1030925309.db2.gz MCSMNJHKLOGGAX-FOIPXRHGSA-N 2 2 308.510 3.719 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000359379823 1030936961 /nfs/dbraw/zinc/93/69/61/1030936961.db2.gz DRBKUZWOQTUCKR-LJQANCHMSA-N 2 2 316.489 3.617 20 0 DHADLP CC[C@H](C[C@](C)(O)CC)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000926863311 1030959814 /nfs/dbraw/zinc/95/98/14/1030959814.db2.gz KHHMOZBAIZTZQY-GUDVDZBRSA-N 2 2 315.461 3.544 20 0 DHADLP c1cn(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)c2ccccc2)c[nH+]1 ZINC000926862133 1030960066 /nfs/dbraw/zinc/96/00/66/1030960066.db2.gz FGTHEHWWNGBJBX-FBVQUNGASA-N 2 2 313.470 3.641 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001171112204 1031007182 /nfs/dbraw/zinc/00/71/82/1031007182.db2.gz TZSGZXPGOPNYDR-QZTJIDSGSA-N 2 2 318.892 3.804 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001171112204 1031007200 /nfs/dbraw/zinc/00/72/00/1031007200.db2.gz TZSGZXPGOPNYDR-QZTJIDSGSA-N 2 2 318.892 3.804 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000926952310 1031014128 /nfs/dbraw/zinc/01/41/28/1031014128.db2.gz RZPJUJRRZQJECE-OSAQELSMSA-N 2 2 309.335 3.721 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261976488 1031082452 /nfs/dbraw/zinc/08/24/52/1031082452.db2.gz QVSJADMHIUDFTG-HIFRSBDPSA-N 2 2 322.880 3.688 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261976488 1031082474 /nfs/dbraw/zinc/08/24/74/1031082474.db2.gz QVSJADMHIUDFTG-HIFRSBDPSA-N 2 2 322.880 3.688 20 0 DHADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1C ZINC000927111437 1031094798 /nfs/dbraw/zinc/09/47/98/1031094798.db2.gz ZGWKLZGLKFAXCU-PKOBYXMFSA-N 2 2 316.489 3.516 20 0 DHADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1C ZINC000927111437 1031094814 /nfs/dbraw/zinc/09/48/14/1031094814.db2.gz ZGWKLZGLKFAXCU-PKOBYXMFSA-N 2 2 316.489 3.516 20 0 DHADLP CCc1onc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000927138334 1031111897 /nfs/dbraw/zinc/11/18/97/1031111897.db2.gz DXSIWTFUJGPVPU-PBHICJAKSA-N 2 2 319.493 3.678 20 0 DHADLP CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927139492 1031115363 /nfs/dbraw/zinc/11/53/63/1031115363.db2.gz JQNFMPLRCKCSDK-CYBMUJFWSA-N 2 2 310.401 3.582 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)cc1 ZINC000359940585 1031207339 /nfs/dbraw/zinc/20/73/39/1031207339.db2.gz IDWLPLPACNDXDG-ULQDDVLXSA-N 2 2 324.415 3.956 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OC(F)F)cc1 ZINC000359940585 1031207349 /nfs/dbraw/zinc/20/73/49/1031207349.db2.gz IDWLPLPACNDXDG-ULQDDVLXSA-N 2 2 324.415 3.956 20 0 DHADLP c1c[nH]c([C@@H]2CCC[NH+]2CCC[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000265870458 1031225680 /nfs/dbraw/zinc/22/56/80/1031225680.db2.gz VOBDHBDYXQOZBR-OALUTQOASA-N 2 2 312.461 3.707 20 0 DHADLP c1c[nH]c([C@@H]2CCC[NH+]2CCC[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000265870458 1031225697 /nfs/dbraw/zinc/22/56/97/1031225697.db2.gz VOBDHBDYXQOZBR-OALUTQOASA-N 2 2 312.461 3.707 20 0 DHADLP Fc1cccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)c1F ZINC000359975828 1031225897 /nfs/dbraw/zinc/22/58/97/1031225897.db2.gz MIHZQJYDCBGCTP-UHFFFAOYSA-N 2 2 317.339 3.601 20 0 DHADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cc(Cl)ccc1OC ZINC000360037516 1031250685 /nfs/dbraw/zinc/25/06/85/1031250685.db2.gz KKYMZEIPJMIWPO-IUODEOHRSA-N 2 2 307.825 3.675 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@@H]3CC[C@H](C)C3)sc2C1 ZINC000433036737 1031356282 /nfs/dbraw/zinc/35/62/82/1031356282.db2.gz YNQHDRCYGLWROS-UONOGXRCSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@@H]3CC[C@H](C)C3)sc2C1 ZINC000433036737 1031356319 /nfs/dbraw/zinc/35/63/19/1031356319.db2.gz YNQHDRCYGLWROS-UONOGXRCSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@@H]3CC[C@H](C)C3)sc2C1 ZINC000433036737 1031356331 /nfs/dbraw/zinc/35/63/31/1031356331.db2.gz YNQHDRCYGLWROS-UONOGXRCSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@@H]3CC[C@H](C)C3)sc2C1 ZINC000433036737 1031356344 /nfs/dbraw/zinc/35/63/44/1031356344.db2.gz YNQHDRCYGLWROS-UONOGXRCSA-N 2 2 307.507 3.530 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)Sc2ccccc21 ZINC000872021461 1031403508 /nfs/dbraw/zinc/40/35/08/1031403508.db2.gz PSMRYBFYENRZKK-DZGCQCFKSA-N 2 2 301.459 3.877 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)Sc2ccccc21 ZINC000872021467 1031405450 /nfs/dbraw/zinc/40/54/50/1031405450.db2.gz PSMRYBFYENRZKK-UKRRQHHQSA-N 2 2 301.459 3.877 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(O)c1F ZINC000872040807 1031425776 /nfs/dbraw/zinc/42/57/76/1031425776.db2.gz NIPLDCNSQCAYCU-CQSZACIVSA-N 2 2 320.452 3.979 20 0 DHADLP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000536841873 1031452331 /nfs/dbraw/zinc/45/23/31/1031452331.db2.gz ZGNCYEBYPXWHOL-FCEWJHQRSA-N 2 2 301.478 3.775 20 0 DHADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2S1 ZINC000872074218 1031470074 /nfs/dbraw/zinc/47/00/74/1031470074.db2.gz ZDTSHPGAIWTBOM-MLGOLLRUSA-N 2 2 313.470 3.872 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000872087193 1031482503 /nfs/dbraw/zinc/48/25/03/1031482503.db2.gz GXMFOSXKGYIYIY-JQHSSLGASA-N 2 2 308.510 3.577 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000872087193 1031482510 /nfs/dbraw/zinc/48/25/10/1031482510.db2.gz GXMFOSXKGYIYIY-JQHSSLGASA-N 2 2 308.510 3.577 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000878 1031487903 /nfs/dbraw/zinc/48/79/03/1031487903.db2.gz VESBFSSFHKIANZ-FXAWDEMLSA-N 2 2 316.489 3.999 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C(C)C)cc1 ZINC000537000878 1031487912 /nfs/dbraw/zinc/48/79/12/1031487912.db2.gz VESBFSSFHKIANZ-FXAWDEMLSA-N 2 2 316.489 3.999 20 0 DHADLP c1cn(-c2cccc(C[NH2+][C@H](c3cccnc3)C3CCC3)c2)c[nH+]1 ZINC000360655811 1031506797 /nfs/dbraw/zinc/50/67/97/1031506797.db2.gz DVYNNDAYXLXBBE-FQEVSTJZSA-N 2 2 318.424 3.898 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](CNc1c(C)c[nH+]c3c(C)cccc13)CCC2 ZINC000360664771 1031512233 /nfs/dbraw/zinc/51/22/33/1031512233.db2.gz IBZUDRWSFWDYGI-INIZCTEOSA-N 2 2 320.440 3.768 20 0 DHADLP Cc1cc2[nH]c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c(C)c1 ZINC000360838135 1031584699 /nfs/dbraw/zinc/58/46/99/1031584699.db2.gz SVYGCDGHSSJTOD-OAHLLOKOSA-N 2 2 308.429 3.887 20 0 DHADLP Cc1cc2[nH]c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c(C)c1 ZINC000360838135 1031584700 /nfs/dbraw/zinc/58/47/00/1031584700.db2.gz SVYGCDGHSSJTOD-OAHLLOKOSA-N 2 2 308.429 3.887 20 0 DHADLP Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000397089632 1031657961 /nfs/dbraw/zinc/65/79/61/1031657961.db2.gz JEJMJAWLPCRTAG-MRXNPFEDSA-N 2 2 306.413 3.735 20 0 DHADLP Fc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000361058777 1031702655 /nfs/dbraw/zinc/70/26/55/1031702655.db2.gz DMUNSCOLZBETED-UHFFFAOYSA-N 2 2 319.399 3.854 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873231220 1031763065 /nfs/dbraw/zinc/76/30/65/1031763065.db2.gz LFLVKEBVFXEHFA-NHCUHLMSSA-N 2 2 322.452 3.736 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000873222580 1031764154 /nfs/dbraw/zinc/76/41/54/1031764154.db2.gz AHWWWLITJXTAIY-SZVBFZGTSA-N 2 2 310.441 3.839 20 0 DHADLP Cc1cc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)ccc1Oc1cccnc1 ZINC000873230553 1031764943 /nfs/dbraw/zinc/76/49/43/1031764943.db2.gz TXDPDKXROBVRPI-PMACEKPBSA-N 2 2 323.440 3.557 20 0 DHADLP c1cn(-c2ccc(C[NH2+]Cc3cccc4c3CCC4)cc2)c[nH+]1 ZINC000845929840 1031780648 /nfs/dbraw/zinc/78/06/48/1031780648.db2.gz ORSKUHLWTLKAAZ-UHFFFAOYSA-N 2 2 303.409 3.651 20 0 DHADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873283382 1031788278 /nfs/dbraw/zinc/78/82/78/1031788278.db2.gz RUWLLYHRXPLBSZ-NEPJUHHUSA-N 2 2 321.774 3.503 20 0 DHADLP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000361236357 1031802201 /nfs/dbraw/zinc/80/22/01/1031802201.db2.gz DUNAVWYUBVUPHN-QZTJIDSGSA-N 2 2 313.445 3.554 20 0 DHADLP ClC1(Cl)C[C@H]1CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000846103483 1031875260 /nfs/dbraw/zinc/87/52/60/1031875260.db2.gz YXIYVQXMXZHVJP-CQSZACIVSA-N 2 2 324.255 3.936 20 0 DHADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000361383142 1031900204 /nfs/dbraw/zinc/90/02/04/1031900204.db2.gz ZLJCVMQNGKGVKJ-JSXRDJHFSA-N 2 2 321.468 3.562 20 0 DHADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000361383142 1031900220 /nfs/dbraw/zinc/90/02/20/1031900220.db2.gz ZLJCVMQNGKGVKJ-JSXRDJHFSA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000361383142 1031900238 /nfs/dbraw/zinc/90/02/38/1031900238.db2.gz ZLJCVMQNGKGVKJ-JSXRDJHFSA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000361383142 1031900247 /nfs/dbraw/zinc/90/02/47/1031900247.db2.gz ZLJCVMQNGKGVKJ-JSXRDJHFSA-N 2 2 321.468 3.562 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897980521 1031909323 /nfs/dbraw/zinc/90/93/23/1031909323.db2.gz ABPUEAKPPBRJGA-UHFFFAOYSA-N 2 2 324.468 3.955 20 0 DHADLP Cc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361487932 1031951764 /nfs/dbraw/zinc/95/17/64/1031951764.db2.gz WYIAHOWLOUZFKP-HXUWFJFHSA-N 2 2 303.409 3.958 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1sccc1Br ZINC000044532975 1032054566 /nfs/dbraw/zinc/05/45/66/1032054566.db2.gz DXZGJOMIRHMRHO-MNOVXSKESA-N 2 2 317.296 3.503 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1sccc1Br ZINC000044532975 1032054584 /nfs/dbraw/zinc/05/45/84/1032054584.db2.gz DXZGJOMIRHMRHO-MNOVXSKESA-N 2 2 317.296 3.503 20 0 DHADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC[NH+]1CCCCCC1 ZINC001172836838 1033398400 /nfs/dbraw/zinc/39/84/00/1033398400.db2.gz IJUDMGVPTWQJRR-CQSZACIVSA-N 2 2 312.860 3.876 20 0 DHADLP Cc1ccc2c(c1)C[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001172839299 1033410162 /nfs/dbraw/zinc/41/01/62/1033410162.db2.gz PNXRQQXQKNGZSL-FQEVSTJZSA-N 2 2 321.468 3.506 20 0 DHADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172847026 1033417179 /nfs/dbraw/zinc/41/71/79/1033417179.db2.gz CBCMNZQEFUSOHG-GFCCVEGCSA-N 2 2 317.795 3.848 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000151124779 1033419086 /nfs/dbraw/zinc/41/90/86/1033419086.db2.gz OZNMUMZIMVXJLV-ZDUSSCGKSA-N 2 2 307.825 3.676 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000151132273 1033421723 /nfs/dbraw/zinc/42/17/23/1033421723.db2.gz XUGKKRMSWJDGLQ-KGLIPLIRSA-N 2 2 314.458 3.665 20 0 DHADLP Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152152925 1033504966 /nfs/dbraw/zinc/50/49/66/1033504966.db2.gz NYQTUWBRNHQBNL-KGLIPLIRSA-N 2 2 324.428 3.759 20 0 DHADLP CC(C)[N@H+](C1CC[NH+](C)CC1)C1CCC2(CCOCC2)CC1 ZINC001173049131 1033512916 /nfs/dbraw/zinc/51/29/16/1033512916.db2.gz KZNXJXHPYYULKY-UHFFFAOYSA-N 2 2 308.510 3.530 20 0 DHADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CCOCC2)CC1 ZINC001173049131 1033512928 /nfs/dbraw/zinc/51/29/28/1033512928.db2.gz KZNXJXHPYYULKY-UHFFFAOYSA-N 2 2 308.510 3.530 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(F)(F)F)co2)C[C@H]1C ZINC000878163307 1033603652 /nfs/dbraw/zinc/60/36/52/1033603652.db2.gz PSDXEZFXRGJDRF-YPMHNXCESA-N 2 2 304.356 3.603 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(F)(F)F)co2)C[C@H]1C ZINC000878163307 1033603660 /nfs/dbraw/zinc/60/36/60/1033603660.db2.gz PSDXEZFXRGJDRF-YPMHNXCESA-N 2 2 304.356 3.603 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(F)(F)F)co2)C[C@H]1C ZINC000878163307 1033603666 /nfs/dbraw/zinc/60/36/66/1033603666.db2.gz PSDXEZFXRGJDRF-YPMHNXCESA-N 2 2 304.356 3.603 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(F)(F)F)co2)C[C@H]1C ZINC000878163307 1033603675 /nfs/dbraw/zinc/60/36/75/1033603675.db2.gz PSDXEZFXRGJDRF-YPMHNXCESA-N 2 2 304.356 3.603 20 0 DHADLP CCc1ccc(C[C@@H](C)[NH2+]CC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001173236470 1033605820 /nfs/dbraw/zinc/60/58/20/1033605820.db2.gz XUWOOTXXQIOEJT-GOSISDBHSA-N 2 2 322.496 3.902 20 0 DHADLP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001173278344 1033668630 /nfs/dbraw/zinc/66/86/30/1033668630.db2.gz LVXWFOGRZUNLPJ-LTIDMASMSA-N 2 2 319.518 3.618 20 0 DHADLP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001173278344 1033668635 /nfs/dbraw/zinc/66/86/35/1033668635.db2.gz LVXWFOGRZUNLPJ-LTIDMASMSA-N 2 2 319.518 3.618 20 0 DHADLP CC[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)C1 ZINC001173278344 1033668641 /nfs/dbraw/zinc/66/86/41/1033668641.db2.gz LVXWFOGRZUNLPJ-LTIDMASMSA-N 2 2 319.518 3.618 20 0 DHADLP CC[C@@H]1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)C1 ZINC001173278344 1033668646 /nfs/dbraw/zinc/66/86/46/1033668646.db2.gz LVXWFOGRZUNLPJ-LTIDMASMSA-N 2 2 319.518 3.618 20 0 DHADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@H](C)C[NH+](C)C ZINC001173541396 1033760661 /nfs/dbraw/zinc/76/06/61/1033760661.db2.gz ARSYPNYXMFGTNQ-VXGBXAGGSA-N 2 2 303.277 3.854 20 0 DHADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H](C)C[NH+](C)C ZINC001173541393 1033761188 /nfs/dbraw/zinc/76/11/88/1033761188.db2.gz ARSYPNYXMFGTNQ-NEPJUHHUSA-N 2 2 303.277 3.854 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173684829 1033814997 /nfs/dbraw/zinc/81/49/97/1033814997.db2.gz VOZZAJFKYSLWMC-SCCNAQOGSA-N 2 2 312.501 3.887 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173684829 1033815014 /nfs/dbraw/zinc/81/50/14/1033815014.db2.gz VOZZAJFKYSLWMC-SCCNAQOGSA-N 2 2 312.501 3.887 20 0 DHADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206212967 1033836625 /nfs/dbraw/zinc/83/66/25/1033836625.db2.gz UBYBGPSFHOHAOG-KBPBESRZSA-N 2 2 305.224 3.563 20 0 DHADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206212967 1033836635 /nfs/dbraw/zinc/83/66/35/1033836635.db2.gz UBYBGPSFHOHAOG-KBPBESRZSA-N 2 2 305.224 3.563 20 0 DHADLP C[C@@H](C[N@H+](C)Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000862525430 1033871900 /nfs/dbraw/zinc/87/19/00/1033871900.db2.gz BDVBQCIKNIHXAV-AWEZNQCLSA-N 2 2 309.523 3.853 20 0 DHADLP C[C@@H](C[N@@H+](C)Cc1ncc(C[NH+](C)C)s1)C1CCCCC1 ZINC000862525430 1033871909 /nfs/dbraw/zinc/87/19/09/1033871909.db2.gz BDVBQCIKNIHXAV-AWEZNQCLSA-N 2 2 309.523 3.853 20 0 DHADLP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1ccccc1 ZINC000667553312 1033899801 /nfs/dbraw/zinc/89/98/01/1033899801.db2.gz MMSKGYIEJXEAFL-IBGZPJMESA-N 2 2 318.424 3.850 20 0 DHADLP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1ccccc1 ZINC000667553312 1033899814 /nfs/dbraw/zinc/89/98/14/1033899814.db2.gz MMSKGYIEJXEAFL-IBGZPJMESA-N 2 2 318.424 3.850 20 0 DHADLP CCc1cccc2cc(C[NH+]3CCC([NH2+]C(C)C)CC3)oc21 ZINC000667570633 1033949231 /nfs/dbraw/zinc/94/92/31/1033949231.db2.gz CXPHVVNTTLTYMK-UHFFFAOYSA-N 2 2 300.446 3.958 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000480089558 1034056325 /nfs/dbraw/zinc/05/63/25/1034056325.db2.gz SYEYPROVFGQYFC-GXTWGEPZSA-N 2 2 316.367 3.720 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000480089558 1034056339 /nfs/dbraw/zinc/05/63/39/1034056339.db2.gz SYEYPROVFGQYFC-GXTWGEPZSA-N 2 2 316.367 3.720 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000176915128 1034120125 /nfs/dbraw/zinc/12/01/25/1034120125.db2.gz AOHMUHAPCJPVBQ-PXNSSMCTSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000176915128 1034120130 /nfs/dbraw/zinc/12/01/30/1034120130.db2.gz AOHMUHAPCJPVBQ-PXNSSMCTSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000176915128 1034120135 /nfs/dbraw/zinc/12/01/35/1034120135.db2.gz AOHMUHAPCJPVBQ-PXNSSMCTSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000176915128 1034120141 /nfs/dbraw/zinc/12/01/41/1034120141.db2.gz AOHMUHAPCJPVBQ-PXNSSMCTSA-N 2 2 309.457 3.567 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000667666540 1034206973 /nfs/dbraw/zinc/20/69/73/1034206973.db2.gz PLFBQTSKILNRTP-YOEHRIQHSA-N 2 2 320.452 3.529 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000667666540 1034206984 /nfs/dbraw/zinc/20/69/84/1034206984.db2.gz PLFBQTSKILNRTP-YOEHRIQHSA-N 2 2 320.452 3.529 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000667666540 1034206999 /nfs/dbraw/zinc/20/69/99/1034206999.db2.gz PLFBQTSKILNRTP-YOEHRIQHSA-N 2 2 320.452 3.529 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000667666540 1034207011 /nfs/dbraw/zinc/20/70/11/1034207011.db2.gz PLFBQTSKILNRTP-YOEHRIQHSA-N 2 2 320.452 3.529 20 0 DHADLP F[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000554582950 1034231189 /nfs/dbraw/zinc/23/11/89/1034231189.db2.gz OEKRTXMRDMFKBM-FQEVSTJZSA-N 2 2 321.399 3.943 20 0 DHADLP F[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000554582950 1034231206 /nfs/dbraw/zinc/23/12/06/1034231206.db2.gz OEKRTXMRDMFKBM-FQEVSTJZSA-N 2 2 321.399 3.943 20 0 DHADLP Cc1cc2c(c(-c3cccc(Cn4cc[nH+]c4)c3)c1)C[NH2+]CC2 ZINC000863973468 1034234338 /nfs/dbraw/zinc/23/43/38/1034234338.db2.gz CSSFGZMDCWUZKS-UHFFFAOYSA-N 2 2 303.409 3.553 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000880257317 1034266132 /nfs/dbraw/zinc/26/61/32/1034266132.db2.gz WEWCMANADGIGIM-QGZVFWFLSA-N 2 2 301.478 3.873 20 0 DHADLP Fc1ccc(C2([NH2+]CCCn3cc[nH+]c3)CCCC2)c(F)c1 ZINC000179675537 1034323632 /nfs/dbraw/zinc/32/36/32/1034323632.db2.gz HWJYJLOBAZSJMO-UHFFFAOYSA-N 2 2 305.372 3.611 20 0 DHADLP COCc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000880570198 1034363781 /nfs/dbraw/zinc/36/37/81/1034363781.db2.gz UNTIVCQPJLGRTO-HXUWFJFHSA-N 2 2 321.424 3.561 20 0 DHADLP c1cn(C[C@H]([NH2+]Cc2ccc3c(c2)CCC3)c2ccccc2)c[nH+]1 ZINC000880571005 1034364781 /nfs/dbraw/zinc/36/47/81/1034364781.db2.gz MFDBWLWOLTVAGY-NRFANRHFSA-N 2 2 317.436 3.903 20 0 DHADLP COCc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880569232 1034364958 /nfs/dbraw/zinc/36/49/58/1034364958.db2.gz ILEAAFNXHNMDOD-HXUWFJFHSA-N 2 2 321.424 3.561 20 0 DHADLP CCCc1cc[nH+]c(Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001174814822 1034615551 /nfs/dbraw/zinc/61/55/51/1034615551.db2.gz SVWDSUYIYFBQAN-UHFFFAOYSA-N 2 2 310.445 3.530 20 0 DHADLP CC[N@H+](C)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001174822095 1034619261 /nfs/dbraw/zinc/61/92/61/1034619261.db2.gz PYMPBJKFIUWEJQ-UHFFFAOYSA-N 2 2 324.472 3.638 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2csc(C)c2C)cn1 ZINC000865420138 1034637226 /nfs/dbraw/zinc/63/72/26/1034637226.db2.gz LWTFQNRMAYJMPF-UHFFFAOYSA-N 2 2 312.442 3.544 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000555364296 1034654164 /nfs/dbraw/zinc/65/41/64/1034654164.db2.gz GNULGKJCGOYDCU-IEBWSBKVSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000555364296 1034654168 /nfs/dbraw/zinc/65/41/68/1034654168.db2.gz GNULGKJCGOYDCU-IEBWSBKVSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000555364296 1034654176 /nfs/dbraw/zinc/65/41/76/1034654176.db2.gz GNULGKJCGOYDCU-IEBWSBKVSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nc1 ZINC000555364296 1034654183 /nfs/dbraw/zinc/65/41/83/1034654183.db2.gz GNULGKJCGOYDCU-IEBWSBKVSA-N 2 2 315.505 3.730 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+]CCCn1cc[nH+]c1)CCS2 ZINC000186909029 1034674773 /nfs/dbraw/zinc/67/47/73/1034674773.db2.gz KOOAAYNGOFJUDP-MRXNPFEDSA-N 2 2 301.459 3.717 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000162867948 1034714283 /nfs/dbraw/zinc/71/42/83/1034714283.db2.gz GOGKHLVJURNRCH-INIZCTEOSA-N 2 2 313.445 3.942 20 0 DHADLP Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC001175368045 1034955062 /nfs/dbraw/zinc/95/50/62/1034955062.db2.gz WZDJULGETRHHRE-UHFFFAOYSA-N 2 2 320.440 3.902 20 0 DHADLP Cc1cn2c(cccc2NC2=CC[N@H+](Cc3ccccc3)CC2)[nH+]1 ZINC001175505277 1035012472 /nfs/dbraw/zinc/01/24/72/1035012472.db2.gz PJLQXDLNSIROCW-UHFFFAOYSA-N 2 2 318.424 3.844 20 0 DHADLP Cc1cn2c(cccc2NC2=CC[N@@H+](Cc3ccccc3)CC2)[nH+]1 ZINC001175505277 1035012478 /nfs/dbraw/zinc/01/24/78/1035012478.db2.gz PJLQXDLNSIROCW-UHFFFAOYSA-N 2 2 318.424 3.844 20 0 DHADLP Clc1cccc(Cl)c1CCC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000482245680 1035070787 /nfs/dbraw/zinc/07/07/87/1035070787.db2.gz OUQGOEPVFOLRCF-LBPRGKRZSA-N 2 2 324.255 3.727 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000171064540 1035175406 /nfs/dbraw/zinc/17/54/06/1035175406.db2.gz OHZKPWNKTHHBGM-GFCCVEGCSA-N 2 2 300.368 3.792 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000194590040 1035222403 /nfs/dbraw/zinc/22/24/03/1035222403.db2.gz JLQNIYQTKQGCGE-HNNXBMFYSA-N 2 2 317.864 3.837 20 0 DHADLP Cc1cc[nH+]c2cc(Nc3cnn(CC[NH+]4CCCC4)c3)ccc12 ZINC001176560593 1035295334 /nfs/dbraw/zinc/29/53/34/1035295334.db2.gz SVDOVJDBLUNNTQ-UHFFFAOYSA-N 2 2 321.428 3.579 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000483750576 1035295852 /nfs/dbraw/zinc/29/58/52/1035295852.db2.gz YPMVNCRYQYXUFI-YDHLFZDLSA-N 2 2 310.869 3.872 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000483750576 1035295856 /nfs/dbraw/zinc/29/58/56/1035295856.db2.gz YPMVNCRYQYXUFI-YDHLFZDLSA-N 2 2 310.869 3.872 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000483728094 1035296215 /nfs/dbraw/zinc/29/62/15/1035296215.db2.gz NMJPNCUYMQNHFH-MDZLAQPJSA-N 2 2 316.367 3.560 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000483728094 1035296217 /nfs/dbraw/zinc/29/62/17/1035296217.db2.gz NMJPNCUYMQNHFH-MDZLAQPJSA-N 2 2 316.367 3.560 20 0 DHADLP c1c[nH+]c(N2CCCC2)c(Nc2c[nH+]ccc2N2CCCCC2)c1 ZINC001176749024 1035323048 /nfs/dbraw/zinc/32/30/48/1035323048.db2.gz PDEXYOPTFZUOBC-UHFFFAOYSA-N 2 2 323.444 3.811 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC001177425015 1035369257 /nfs/dbraw/zinc/36/92/57/1035369257.db2.gz MWGYYFJYQGCNOG-KRWDZBQOSA-N 2 2 324.428 3.743 20 0 DHADLP CNc1ccc(C)cc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001177492382 1035373931 /nfs/dbraw/zinc/37/39/31/1035373931.db2.gz RAMJJALMSZFYTB-UHFFFAOYSA-N 2 2 306.413 3.512 20 0 DHADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC001177924517 1035399507 /nfs/dbraw/zinc/39/95/07/1035399507.db2.gz KOAIPQWEIAIYSY-YLJYHZDGSA-N 2 2 312.501 3.668 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCc2ccccc2CC1 ZINC001179148843 1035467068 /nfs/dbraw/zinc/46/70/68/1035467068.db2.gz WZQMRSASLDYDLX-KRWDZBQOSA-N 2 2 300.490 3.644 20 0 DHADLP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001179173057 1035468484 /nfs/dbraw/zinc/46/84/84/1035468484.db2.gz HKWCAGNVJXEBLW-FUHWJXTLSA-N 2 2 314.473 3.549 20 0 DHADLP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001179173057 1035468488 /nfs/dbraw/zinc/46/84/88/1035468488.db2.gz HKWCAGNVJXEBLW-FUHWJXTLSA-N 2 2 314.473 3.549 20 0 DHADLP FC(F)(F)c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001179315271 1035474212 /nfs/dbraw/zinc/47/42/12/1035474212.db2.gz KQRNDCHJDIIOFN-HNNXBMFYSA-N 2 2 312.379 3.812 20 0 DHADLP FC(F)(F)c1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001179315271 1035474215 /nfs/dbraw/zinc/47/42/15/1035474215.db2.gz KQRNDCHJDIIOFN-HNNXBMFYSA-N 2 2 312.379 3.812 20 0 DHADLP Cc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001179784273 1035501092 /nfs/dbraw/zinc/50/10/92/1035501092.db2.gz FIWFIWGBASAODY-GOSISDBHSA-N 2 2 323.484 3.748 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256758 1035504224 /nfs/dbraw/zinc/50/42/24/1035504224.db2.gz YMYPSBKSTWXHTR-INIZCTEOSA-N 2 2 317.864 3.571 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000485256758 1035504228 /nfs/dbraw/zinc/50/42/28/1035504228.db2.gz YMYPSBKSTWXHTR-INIZCTEOSA-N 2 2 317.864 3.571 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2Cl)[C@H](C)C1 ZINC000192110277 1035762034 /nfs/dbraw/zinc/76/20/34/1035762034.db2.gz VKJHBKRCBZUQFG-CXAGYDPISA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2Cl)[C@H](C)C1 ZINC000192110277 1035762053 /nfs/dbraw/zinc/76/20/53/1035762053.db2.gz VKJHBKRCBZUQFG-CXAGYDPISA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2Cl)[C@H](C)C1 ZINC000192110277 1035762071 /nfs/dbraw/zinc/76/20/71/1035762071.db2.gz VKJHBKRCBZUQFG-CXAGYDPISA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2Cl)[C@H](C)C1 ZINC000192110277 1035762085 /nfs/dbraw/zinc/76/20/85/1035762085.db2.gz VKJHBKRCBZUQFG-CXAGYDPISA-N 2 2 310.869 3.511 20 0 DHADLP CCSCCC[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001181134899 1035847112 /nfs/dbraw/zinc/84/71/12/1035847112.db2.gz QMJIWEWEVAOBOB-AEFFLSMTSA-N 2 2 306.519 3.772 20 0 DHADLP CCSCCC[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001181134899 1035847129 /nfs/dbraw/zinc/84/71/29/1035847129.db2.gz QMJIWEWEVAOBOB-AEFFLSMTSA-N 2 2 306.519 3.772 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)C[C@H]2CCc3ccccc32)CC1 ZINC001181525569 1035934061 /nfs/dbraw/zinc/93/40/61/1035934061.db2.gz NHMOKXHERPDTSX-GOSISDBHSA-N 2 2 324.468 3.906 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccco2)C[C@H]2CCc3ccccc32)CC1 ZINC001181525569 1035934073 /nfs/dbraw/zinc/93/40/73/1035934073.db2.gz NHMOKXHERPDTSX-GOSISDBHSA-N 2 2 324.468 3.906 20 0 DHADLP COC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccc(Cl)cc1 ZINC000193963604 1035952548 /nfs/dbraw/zinc/95/25/48/1035952548.db2.gz BRJJYSCQCJSAKZ-GOSISDBHSA-N 2 2 324.896 3.738 20 0 DHADLP c1cn(CCC[N@@H+]2C[C@@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000485906419 1036032552 /nfs/dbraw/zinc/03/25/52/1036032552.db2.gz KKHZOVQPFHRFLR-AABGKKOBSA-N 2 2 309.457 3.931 20 0 DHADLP c1cn(CCC[N@H+]2C[C@@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000485906419 1036032562 /nfs/dbraw/zinc/03/25/62/1036032562.db2.gz KKHZOVQPFHRFLR-AABGKKOBSA-N 2 2 309.457 3.931 20 0 DHADLP c1cn(CCC[N@@H+]2C[C@@H](c3ccccc3)[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000485906420 1036034159 /nfs/dbraw/zinc/03/41/59/1036034159.db2.gz KKHZOVQPFHRFLR-HSALFYBXSA-N 2 2 309.457 3.931 20 0 DHADLP c1cn(CCC[N@H+]2C[C@@H](c3ccccc3)[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000485906420 1036034172 /nfs/dbraw/zinc/03/41/72/1036034172.db2.gz KKHZOVQPFHRFLR-HSALFYBXSA-N 2 2 309.457 3.931 20 0 DHADLP C[N@@H+]1CC[C@H](Nc2cc[nH+]c3ccsc32)[C@H]1c1ccccc1 ZINC000485976202 1036067443 /nfs/dbraw/zinc/06/74/43/1036067443.db2.gz KDSUVKFEZOTRDY-WMLDXEAASA-N 2 2 309.438 3.576 20 0 DHADLP C[N@H+]1CC[C@H](Nc2cc[nH+]c3ccsc32)[C@H]1c1ccccc1 ZINC000485976202 1036067454 /nfs/dbraw/zinc/06/74/54/1036067454.db2.gz KDSUVKFEZOTRDY-WMLDXEAASA-N 2 2 309.438 3.576 20 0 DHADLP CC[C@H](C)[C@@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)OC ZINC001182035133 1036080758 /nfs/dbraw/zinc/08/07/58/1036080758.db2.gz WTPXJDJPALBKMG-SUMWQHHRSA-N 2 2 321.852 3.676 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000494985916 1036164308 /nfs/dbraw/zinc/16/43/08/1036164308.db2.gz OBXMOMORJFLHNI-YOEHRIQHSA-N 2 2 322.880 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000494985916 1036164319 /nfs/dbraw/zinc/16/43/19/1036164319.db2.gz OBXMOMORJFLHNI-YOEHRIQHSA-N 2 2 322.880 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000494985916 1036164333 /nfs/dbraw/zinc/16/43/33/1036164333.db2.gz OBXMOMORJFLHNI-YOEHRIQHSA-N 2 2 322.880 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000494985916 1036164345 /nfs/dbraw/zinc/16/43/45/1036164345.db2.gz OBXMOMORJFLHNI-YOEHRIQHSA-N 2 2 322.880 3.655 20 0 DHADLP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495007801 1036182373 /nfs/dbraw/zinc/18/23/73/1036182373.db2.gz PKRWAYKQMJGPGV-QGZVFWFLSA-N 2 2 313.445 3.675 20 0 DHADLP Cc1cc(C)cc(OCCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495007801 1036182383 /nfs/dbraw/zinc/18/23/83/1036182383.db2.gz PKRWAYKQMJGPGV-QGZVFWFLSA-N 2 2 313.445 3.675 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000250395410 1036274620 /nfs/dbraw/zinc/27/46/20/1036274620.db2.gz YOHVYCOFRXFBRB-IUODEOHRSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000250395410 1036274632 /nfs/dbraw/zinc/27/46/32/1036274632.db2.gz YOHVYCOFRXFBRB-IUODEOHRSA-N 2 2 300.368 3.840 20 0 DHADLP Nc1cc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc[nH+]1 ZINC001206521974 1036372878 /nfs/dbraw/zinc/37/28/78/1036372878.db2.gz HGTYUYAVFGDNEE-UHFFFAOYSA-N 2 2 304.275 3.974 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC001183335531 1036576656 /nfs/dbraw/zinc/57/66/56/1036576656.db2.gz JFVOBRGLQZQFNB-BHIYHBOVSA-N 2 2 318.530 3.772 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC001183335531 1036576661 /nfs/dbraw/zinc/57/66/61/1036576661.db2.gz JFVOBRGLQZQFNB-BHIYHBOVSA-N 2 2 318.530 3.772 20 0 DHADLP C[C@]1(C[NH2+]C/C=C\c2ccncc2)CCC[N@@H+]1Cc1ccccc1 ZINC000487548554 1036680120 /nfs/dbraw/zinc/68/01/20/1036680120.db2.gz DLICMMUOLQUHHR-BHQIVLKMSA-N 2 2 321.468 3.739 20 0 DHADLP C[C@]1(C[NH2+]C/C=C\c2ccncc2)CCC[N@H+]1Cc1ccccc1 ZINC000487548554 1036680125 /nfs/dbraw/zinc/68/01/25/1036680125.db2.gz DLICMMUOLQUHHR-BHQIVLKMSA-N 2 2 321.468 3.739 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C/C=C\c1ccncc1)C1CC1 ZINC000487574311 1036686870 /nfs/dbraw/zinc/68/68/70/1036686870.db2.gz RTNXLFUBLVTJGN-DPVXCJKMSA-N 2 2 321.468 3.595 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C/C=C\c1ccncc1)C1CC1 ZINC000487574311 1036686875 /nfs/dbraw/zinc/68/68/75/1036686875.db2.gz RTNXLFUBLVTJGN-DPVXCJKMSA-N 2 2 321.468 3.595 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000495502595 1036688581 /nfs/dbraw/zinc/68/85/81/1036688581.db2.gz JZGMWFUFTWDVEZ-INIZCTEOSA-N 2 2 312.432 3.925 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000495502595 1036688602 /nfs/dbraw/zinc/68/86/02/1036688602.db2.gz JZGMWFUFTWDVEZ-INIZCTEOSA-N 2 2 312.432 3.925 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001197358870 1036750517 /nfs/dbraw/zinc/75/05/17/1036750517.db2.gz JFZLNIONTCYSFB-UHFFFAOYSA-N 2 2 316.489 3.926 20 0 DHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001184208258 1036768160 /nfs/dbraw/zinc/76/81/60/1036768160.db2.gz YYFGLRPUMHRNEV-UFYCRDLUSA-N 2 2 302.506 3.964 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2F)CCN1c1cc[nH+]cc1 ZINC001197377037 1036771510 /nfs/dbraw/zinc/77/15/10/1036771510.db2.gz JDUJPJVGMVSROY-ZDUSSCGKSA-N 2 2 319.811 3.585 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2F)CCN1c1cc[nH+]cc1 ZINC001197377037 1036771529 /nfs/dbraw/zinc/77/15/29/1036771529.db2.gz JDUJPJVGMVSROY-ZDUSSCGKSA-N 2 2 319.811 3.585 20 0 DHADLP CCc1cc(NC[C@H](c2ccccc2Cl)[NH+](C)C)nc(C)[nH+]1 ZINC001184563351 1036883107 /nfs/dbraw/zinc/88/31/07/1036883107.db2.gz HBTCJSDECRCQBS-MRXNPFEDSA-N 2 2 318.852 3.716 20 0 DHADLP c1cc2c(cccc2C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)[nH]1 ZINC000236592277 1036966935 /nfs/dbraw/zinc/96/69/35/1036966935.db2.gz UHODWCWZFLXOOR-LJQANCHMSA-N 2 2 319.452 3.922 20 0 DHADLP c1cc2c(cccc2C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)[nH]1 ZINC000236592277 1036966947 /nfs/dbraw/zinc/96/69/47/1036966947.db2.gz UHODWCWZFLXOOR-LJQANCHMSA-N 2 2 319.452 3.922 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000237465110 1037011066 /nfs/dbraw/zinc/01/10/66/1037011066.db2.gz LEYGTPDONPDJFO-RHSMWYFYSA-N 2 2 311.429 3.557 20 0 DHADLP CCc1cc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)nc(CC)[nH+]1 ZINC001185169745 1037052824 /nfs/dbraw/zinc/05/28/24/1037052824.db2.gz CKBALZQSGILOTM-CQSZACIVSA-N 2 2 304.482 3.524 20 0 DHADLP CCc1cc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)nc(CC)[nH+]1 ZINC001185169745 1037052840 /nfs/dbraw/zinc/05/28/40/1037052840.db2.gz CKBALZQSGILOTM-CQSZACIVSA-N 2 2 304.482 3.524 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1C(F)(F)F ZINC000315788625 1037053607 /nfs/dbraw/zinc/05/36/07/1037053607.db2.gz YGEQOERPFNTWBY-VBNZEHGJSA-N 2 2 312.379 3.983 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1C(F)(F)F ZINC000315788625 1037053618 /nfs/dbraw/zinc/05/36/18/1037053618.db2.gz YGEQOERPFNTWBY-VBNZEHGJSA-N 2 2 312.379 3.983 20 0 DHADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001205325636 1037074467 /nfs/dbraw/zinc/07/44/67/1037074467.db2.gz QFTMHJGROPNOCA-ZDUSSCGKSA-N 2 2 304.821 3.784 20 0 DHADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001205325636 1037074485 /nfs/dbraw/zinc/07/44/85/1037074485.db2.gz QFTMHJGROPNOCA-ZDUSSCGKSA-N 2 2 304.821 3.784 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCCCCCCO)C1 ZINC001198790933 1037123234 /nfs/dbraw/zinc/12/32/34/1037123234.db2.gz QDENGKVZKIZMGG-KRWDZBQOSA-N 2 2 321.509 3.760 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCCCCCCO)C1 ZINC001198790933 1037123240 /nfs/dbraw/zinc/12/32/40/1037123240.db2.gz QDENGKVZKIZMGG-KRWDZBQOSA-N 2 2 321.509 3.760 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2cccc(F)c2)C1 ZINC001168501214 1037238853 /nfs/dbraw/zinc/23/88/53/1037238853.db2.gz PZQNKGMZCLQIKZ-YJBOKZPZSA-N 2 2 314.404 3.613 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)Cc2cccc(F)c2)C1 ZINC001168501214 1037238867 /nfs/dbraw/zinc/23/88/67/1037238867.db2.gz PZQNKGMZCLQIKZ-YJBOKZPZSA-N 2 2 314.404 3.613 20 0 DHADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001199699866 1037323260 /nfs/dbraw/zinc/32/32/60/1037323260.db2.gz ABRCLXLQONUPAN-XJKSGUPXSA-N 2 2 301.409 3.926 20 0 DHADLP CC(C)(C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1)Sc1ccc(Cl)cc1 ZINC001205895950 1037435652 /nfs/dbraw/zinc/43/56/52/1037435652.db2.gz SBGUEFPSWOYYFP-ZIAGYGMSSA-N 2 2 316.873 3.582 20 0 DHADLP CC(C)(C[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1)Sc1ccc(Cl)cc1 ZINC001205895950 1037435688 /nfs/dbraw/zinc/43/56/88/1037435688.db2.gz SBGUEFPSWOYYFP-ZIAGYGMSSA-N 2 2 316.873 3.582 20 0 DHADLP CCOc1ccc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC001200942055 1037482634 /nfs/dbraw/zinc/48/26/34/1037482634.db2.gz MRNWMEMSUWFSMH-INIZCTEOSA-N 2 2 316.445 3.679 20 0 DHADLP CCOc1ccc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC001200942055 1037482641 /nfs/dbraw/zinc/48/26/41/1037482641.db2.gz MRNWMEMSUWFSMH-INIZCTEOSA-N 2 2 316.445 3.679 20 0 DHADLP [NH3+]CC[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1Cl ZINC001235925284 1037593063 /nfs/dbraw/zinc/59/30/63/1037593063.db2.gz PNHBPFSOILMJAU-NSHDSACASA-N 2 2 306.759 3.672 20 0 DHADLP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1Cl ZINC001235925284 1037593071 /nfs/dbraw/zinc/59/30/71/1037593071.db2.gz PNHBPFSOILMJAU-NSHDSACASA-N 2 2 306.759 3.672 20 0 DHADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000493898391 1037593554 /nfs/dbraw/zinc/59/35/54/1037593554.db2.gz WFNQGMXQUGCNGH-OXJNMPFZSA-N 2 2 321.424 3.738 20 0 DHADLP CC[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000152836821 1037610458 /nfs/dbraw/zinc/61/04/58/1037610458.db2.gz PHBMJBHXMZQIOQ-CVEARBPZSA-N 2 2 303.494 3.746 20 0 DHADLP C[NH+](C)Cc1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001201397297 1037629621 /nfs/dbraw/zinc/62/96/21/1037629621.db2.gz ZEQGNWHNWSKVTL-UHFFFAOYSA-N 2 2 306.413 3.737 20 0 DHADLP CCOc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001203972162 1037786717 /nfs/dbraw/zinc/78/67/17/1037786717.db2.gz JDXBBRSHHHUELO-UHFFFAOYSA-N 2 2 316.489 3.924 20 0 DHADLP CCOc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001203972162 1037786728 /nfs/dbraw/zinc/78/67/28/1037786728.db2.gz JDXBBRSHHHUELO-UHFFFAOYSA-N 2 2 316.489 3.924 20 0 DHADLP CC(C)CC[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001201624223 1037822923 /nfs/dbraw/zinc/82/29/23/1037822923.db2.gz OCIUCSPVNZRZRI-UHFFFAOYSA-N 2 2 322.250 3.542 20 0 DHADLP CCCC[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001201705824 1037848518 /nfs/dbraw/zinc/84/85/18/1037848518.db2.gz HPDDTKMSNXQFSX-UHFFFAOYSA-N 2 2 307.507 3.682 20 0 DHADLP CCCC[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001201705824 1037848534 /nfs/dbraw/zinc/84/85/34/1037848534.db2.gz HPDDTKMSNXQFSX-UHFFFAOYSA-N 2 2 307.507 3.682 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCC23CCCC3)[nH+]1 ZINC000189058376 1038047049 /nfs/dbraw/zinc/04/70/49/1038047049.db2.gz DAZFSEDDBHSXCB-SFHVURJKSA-N 2 2 309.457 3.786 20 0 DHADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000629581224 1038105934 /nfs/dbraw/zinc/10/59/34/1038105934.db2.gz SCGFBPQLALDFKU-HNNXBMFYSA-N 2 2 311.267 3.504 20 0 DHADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000629581224 1038105954 /nfs/dbraw/zinc/10/59/54/1038105954.db2.gz SCGFBPQLALDFKU-HNNXBMFYSA-N 2 2 311.267 3.504 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000572452813 1038380420 /nfs/dbraw/zinc/38/04/20/1038380420.db2.gz GEYBBPQCEHBYOL-UIBIWLFHSA-N 2 2 304.478 3.661 20 0 DHADLP CS[C@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001203288838 1038487483 /nfs/dbraw/zinc/48/74/83/1038487483.db2.gz DTVBSXVVOYTIAG-ULQDDVLXSA-N 2 2 304.503 3.523 20 0 DHADLP CS[C@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001203288838 1038487491 /nfs/dbraw/zinc/48/74/91/1038487491.db2.gz DTVBSXVVOYTIAG-ULQDDVLXSA-N 2 2 304.503 3.523 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(-c3ccccc3)c1)C2 ZINC000572804744 1038502744 /nfs/dbraw/zinc/50/27/44/1038502744.db2.gz VTQFUERUNVVJMP-GOSISDBHSA-N 2 2 303.409 3.724 20 0 DHADLP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000604773261 1039534974 /nfs/dbraw/zinc/53/49/74/1039534974.db2.gz UIPDIXBTYHKWBM-NQIIRXRSSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000604773261 1039534980 /nfs/dbraw/zinc/53/49/80/1039534980.db2.gz UIPDIXBTYHKWBM-NQIIRXRSSA-N 2 2 323.484 3.699 20 0 DHADLP COc1cccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608072365 1040364635 /nfs/dbraw/zinc/36/46/35/1040364635.db2.gz KYWHSJFXNSWLGJ-LJQANCHMSA-N 2 2 321.424 3.502 20 0 DHADLP c1cn(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc2)c[nH+]1 ZINC000095584403 185381832 /nfs/dbraw/zinc/38/18/32/185381832.db2.gz WXDPLUOSYCDFNM-UHFFFAOYSA-N 2 2 307.441 3.931 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)C2CCCC2)CC1 ZINC000090667386 185308685 /nfs/dbraw/zinc/30/86/85/185308685.db2.gz LLXZYOANSQPYRN-JKSUJKDBSA-N 2 2 301.478 3.775 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)[C@@H]1c1cccnc1 ZINC000328627238 529794285 /nfs/dbraw/zinc/79/42/85/529794285.db2.gz FXAXCCMFTIQSKQ-MDNKFWRPSA-N 2 2 313.489 3.633 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)[C@@H]1c1cccnc1 ZINC000328627238 529794286 /nfs/dbraw/zinc/79/42/86/529794286.db2.gz FXAXCCMFTIQSKQ-MDNKFWRPSA-N 2 2 313.489 3.633 20 0 DHADLP c1ccc(N2CCC([NH2+][C@H]3CCCc4ccccc43)CC2)[nH+]c1 ZINC000236595086 201930363 /nfs/dbraw/zinc/93/03/63/201930363.db2.gz UUCTVXZPLDOPDJ-IBGZPJMESA-N 2 2 307.441 3.718 20 0 DHADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093188069 193212681 /nfs/dbraw/zinc/21/26/81/193212681.db2.gz WMWZSIIJXYRERS-UYAOXDASSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093188069 193212683 /nfs/dbraw/zinc/21/26/83/193212683.db2.gz WMWZSIIJXYRERS-UYAOXDASSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccnc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093188069 193212685 /nfs/dbraw/zinc/21/26/85/193212685.db2.gz WMWZSIIJXYRERS-UYAOXDASSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccnc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093188069 193212687 /nfs/dbraw/zinc/21/26/87/193212687.db2.gz WMWZSIIJXYRERS-UYAOXDASSA-N 2 2 323.484 3.875 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1nccs1 ZINC000093403597 193244699 /nfs/dbraw/zinc/24/46/99/193244699.db2.gz FOWPXGZLEFWEKL-KBPBESRZSA-N 2 2 321.515 3.767 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1nccs1 ZINC000093403597 193244701 /nfs/dbraw/zinc/24/47/01/193244701.db2.gz FOWPXGZLEFWEKL-KBPBESRZSA-N 2 2 321.515 3.767 20 0 DHADLP Cc1ccsc1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000020008965 182177024 /nfs/dbraw/zinc/17/70/24/182177024.db2.gz VKZZVIFOYVJSHL-QGZVFWFLSA-N 2 2 300.471 3.983 20 0 DHADLP C[C@@H](C[NH2+]Cc1cccc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000057994234 184065663 /nfs/dbraw/zinc/06/56/63/184065663.db2.gz QAZHSBMVBWTWBB-LBPRGKRZSA-N 2 2 301.261 3.815 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000120060253 195089809 /nfs/dbraw/zinc/08/98/09/195089809.db2.gz HRIBDAALWDKJGT-VCBZYWHSSA-N 2 2 313.420 3.534 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000120060253 195089811 /nfs/dbraw/zinc/08/98/11/195089811.db2.gz HRIBDAALWDKJGT-VCBZYWHSSA-N 2 2 313.420 3.534 20 0 DHADLP CC[NH+]1CCC([NH2+]C2(c3cccc(Br)c3)CC2)CC1 ZINC000272125652 130001220 /nfs/dbraw/zinc/00/12/20/130001220.db2.gz KNLAVFJIFLPONE-UHFFFAOYSA-N 2 2 323.278 3.512 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000272299216 130017300 /nfs/dbraw/zinc/01/73/00/130017300.db2.gz QHMOPHQJOIWRKW-IAGOWNOFSA-N 2 2 324.472 3.721 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000272299216 130017303 /nfs/dbraw/zinc/01/73/03/130017303.db2.gz QHMOPHQJOIWRKW-IAGOWNOFSA-N 2 2 324.472 3.721 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccncc1 ZINC000272605225 130045059 /nfs/dbraw/zinc/04/50/59/130045059.db2.gz VBJHODGXZWYIII-OAHLLOKOSA-N 2 2 315.383 3.539 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000272717447 130056680 /nfs/dbraw/zinc/05/66/80/130056680.db2.gz DIVZPFHGMDWZMJ-KRWDZBQOSA-N 2 2 300.377 3.575 20 0 DHADLP Cc1cnc([C@@H](C)[NH2+]CCC[NH2+][C@@H](C)c2ncc(C)s2)s1 ZINC000273249547 130099744 /nfs/dbraw/zinc/09/97/44/130099744.db2.gz BYIGHJBUYLJVHC-BETUJISGSA-N 2 2 324.519 3.608 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CCS2 ZINC000275392745 130315227 /nfs/dbraw/zinc/31/52/27/130315227.db2.gz YTSCADQWNMKZRI-ZBFHGGJFSA-N 2 2 301.459 3.715 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CCS2 ZINC000275392738 130315581 /nfs/dbraw/zinc/31/55/81/130315581.db2.gz YTSCADQWNMKZRI-HOCLYGCPSA-N 2 2 301.459 3.715 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nc2ccccc2n1C(F)F ZINC000275481553 130328203 /nfs/dbraw/zinc/32/82/03/130328203.db2.gz QKJRDEOGJAKUSE-QWHCGFSZSA-N 2 2 322.403 3.566 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1nc2ccccc2n1C(F)F ZINC000275481553 130328208 /nfs/dbraw/zinc/32/82/08/130328208.db2.gz QKJRDEOGJAKUSE-QWHCGFSZSA-N 2 2 322.403 3.566 20 0 DHADLP Fc1ccc([C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)c(F)c1 ZINC000343313655 335064678 /nfs/dbraw/zinc/06/46/78/335064678.db2.gz UPFZMBSNLZEHOR-QGZVFWFLSA-N 2 2 305.372 3.779 20 0 DHADLP Fc1ccc([C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)c(F)c1 ZINC000343313655 335064679 /nfs/dbraw/zinc/06/46/79/335064679.db2.gz UPFZMBSNLZEHOR-QGZVFWFLSA-N 2 2 305.372 3.779 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000284184866 131056529 /nfs/dbraw/zinc/05/65/29/131056529.db2.gz RFEUXBFZBSTFSJ-MRXNPFEDSA-N 2 2 313.445 3.820 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1n1cc[nH+]c1 ZINC000285129149 131141471 /nfs/dbraw/zinc/14/14/71/131141471.db2.gz SHECGDAPMSKUCT-CRAIPNDOSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1n1cc[nH+]c1 ZINC000285129149 131141472 /nfs/dbraw/zinc/14/14/72/131141472.db2.gz SHECGDAPMSKUCT-CRAIPNDOSA-N 2 2 322.412 3.621 20 0 DHADLP c1c[nH]c([C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CCCCC2)n1 ZINC000285748994 131198351 /nfs/dbraw/zinc/19/83/51/131198351.db2.gz RMTGYDCNWFSXOR-GOSISDBHSA-N 2 2 323.444 3.511 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000286861414 131253088 /nfs/dbraw/zinc/25/30/88/131253088.db2.gz BBNVWBBOOWQDGA-LSDHHAIUSA-N 2 2 301.459 3.666 20 0 DHADLP CC(C)C[NH+]1CCC(Nc2[nH+]ccc3ccc(F)cc32)CC1 ZINC000340255546 131281794 /nfs/dbraw/zinc/28/17/94/131281794.db2.gz JOHGGBRBPSXZJC-UHFFFAOYSA-N 2 2 301.409 3.906 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(C2CC2)c1 ZINC000340266592 131309906 /nfs/dbraw/zinc/30/99/06/131309906.db2.gz YLZZQJAUULECDG-KDOFPFPSSA-N 2 2 304.503 3.652 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000289208399 131366227 /nfs/dbraw/zinc/36/62/27/131366227.db2.gz IJTUFHWJVDHBOI-GOSISDBHSA-N 3 2 303.494 3.567 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000289208399 131366228 /nfs/dbraw/zinc/36/62/28/131366228.db2.gz IJTUFHWJVDHBOI-GOSISDBHSA-N 3 2 303.494 3.567 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCCCOCc1ccccc1 ZINC000289259339 131369359 /nfs/dbraw/zinc/36/93/59/131369359.db2.gz MNWPPOAUWHSXCK-UHFFFAOYSA-N 2 2 312.457 3.909 20 0 DHADLP Fc1ccc(/C=C/C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000289348781 131376703 /nfs/dbraw/zinc/37/67/03/131376703.db2.gz MTEYKSQNSCAUEJ-OWOJBTEDSA-N 2 2 303.356 3.512 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000289372209 131379908 /nfs/dbraw/zinc/37/99/08/131379908.db2.gz ZVSLLSHWCHFEJG-UHFFFAOYSA-N 3 2 323.484 3.708 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]CCCCC2CCOCC2)[C@H]1c1ccccc1 ZINC000289443604 131386447 /nfs/dbraw/zinc/38/64/47/131386447.db2.gz UCXJOIDVLWMZPS-VQTJNVASSA-N 2 2 316.489 3.618 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]CCCCC2CCOCC2)[C@H]1c1ccccc1 ZINC000289443604 131386448 /nfs/dbraw/zinc/38/64/48/131386448.db2.gz UCXJOIDVLWMZPS-VQTJNVASSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000289578180 131397759 /nfs/dbraw/zinc/39/77/59/131397759.db2.gz HSZKEAWHNBMIGJ-UXHICEINSA-N 2 2 310.441 3.833 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000297566210 132022786 /nfs/dbraw/zinc/02/27/86/132022786.db2.gz CMEQFVVUPAFSCZ-KGLIPLIRSA-N 2 2 305.853 3.740 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297566210 132022788 /nfs/dbraw/zinc/02/27/88/132022788.db2.gz CMEQFVVUPAFSCZ-KGLIPLIRSA-N 2 2 305.853 3.740 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000297766894 132033447 /nfs/dbraw/zinc/03/34/47/132033447.db2.gz LZDMQKOPDPCANW-UHFFFAOYSA-N 2 2 315.436 3.589 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000297766894 132033449 /nfs/dbraw/zinc/03/34/49/132033449.db2.gz LZDMQKOPDPCANW-UHFFFAOYSA-N 2 2 315.436 3.589 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCc3ccccc3C2)c[nH+]1 ZINC000298397526 132060799 /nfs/dbraw/zinc/06/07/99/132060799.db2.gz IQUWOOVFIMJZAJ-OAQYLSRUSA-N 2 2 317.436 3.579 20 0 DHADLP CN(C)c1ccccc1-c1ccc(NCCCn2cc[nH+]c2)[nH+]c1 ZINC000629695669 429961490 /nfs/dbraw/zinc/96/14/90/429961490.db2.gz KZGJYKBZXKJNNI-UHFFFAOYSA-N 2 2 321.428 3.513 20 0 DHADLP CC(C)c1nc2[nH]ccc2c(NC2CC[NH+](C3CCC3)CC2)[nH+]1 ZINC000631295771 429983085 /nfs/dbraw/zinc/98/30/85/429983085.db2.gz VKWGAENRYAVWEB-UHFFFAOYSA-N 2 2 313.449 3.510 20 0 DHADLP C[NH+](C)CCOc1ccccc1CNc1ccc2ccccc2[nH+]1 ZINC000521322880 434880238 /nfs/dbraw/zinc/88/02/38/434880238.db2.gz PETCFUKUGJAAEZ-UHFFFAOYSA-N 2 2 321.424 3.787 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)c1ccncc1 ZINC000156383859 332790038 /nfs/dbraw/zinc/79/00/38/332790038.db2.gz VAVZOXYXOJWHPN-ZBFHGGJFSA-N 2 2 301.459 3.631 20 0 DHADLP c1ccc(N2CCC([NH2+]Cc3ccc4ccccc4c3)CC2)[nH+]c1 ZINC000078969072 331678215 /nfs/dbraw/zinc/67/82/15/331678215.db2.gz TUMDMCPMDPIXOK-UHFFFAOYSA-N 2 2 317.436 3.993 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000517782282 331969235 /nfs/dbraw/zinc/96/92/35/331969235.db2.gz CPFAUBHQNGBKEI-QZTJIDSGSA-N 2 2 304.478 3.754 20 0 DHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000559311250 332022454 /nfs/dbraw/zinc/02/24/54/332022454.db2.gz GVLCDBVDWWQBRS-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000559311250 332022455 /nfs/dbraw/zinc/02/24/55/332022455.db2.gz GVLCDBVDWWQBRS-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000559311250 332022456 /nfs/dbraw/zinc/02/24/56/332022456.db2.gz GVLCDBVDWWQBRS-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000559311250 332022457 /nfs/dbraw/zinc/02/24/57/332022457.db2.gz GVLCDBVDWWQBRS-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Cl)sc2Cl)C1 ZINC000449326851 332038464 /nfs/dbraw/zinc/03/84/64/332038464.db2.gz ZRKMVLGKDPXJNN-VIFPVBQESA-N 2 2 316.257 3.778 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Cl)sc2Cl)C1 ZINC000449326851 332038466 /nfs/dbraw/zinc/03/84/66/332038466.db2.gz ZRKMVLGKDPXJNN-VIFPVBQESA-N 2 2 316.257 3.778 20 0 DHADLP CC1(C)CCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000559351101 332061233 /nfs/dbraw/zinc/06/12/33/332061233.db2.gz DJUPYANUZRFSQT-CYBMUJFWSA-N 2 2 306.416 3.819 20 0 DHADLP CC(C)CCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000091671043 332110158 /nfs/dbraw/zinc/11/01/58/332110158.db2.gz IFLYDSRHKSUVCP-UHFFFAOYSA-N 2 2 304.478 3.638 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000559964076 332297760 /nfs/dbraw/zinc/29/77/60/332297760.db2.gz GFFMVMXJDFWWSU-OAHLLOKOSA-N 2 2 316.470 3.926 20 0 DHADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560266670 332325368 /nfs/dbraw/zinc/32/53/68/332325368.db2.gz ZUIUGEDFRGPDQS-GOSISDBHSA-N 2 2 315.436 3.715 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152871438 332329945 /nfs/dbraw/zinc/32/99/45/332329945.db2.gz LRZBLSJNHYDWCE-CRAIPNDOSA-N 2 2 309.457 3.908 20 0 DHADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000560961495 332397175 /nfs/dbraw/zinc/39/71/75/332397175.db2.gz XNTJNADMOHJBTH-AWEZNQCLSA-N 2 2 309.866 3.536 20 0 DHADLP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427879421 332553710 /nfs/dbraw/zinc/55/37/10/332553710.db2.gz SPGIFBAVRVSASZ-QRTARXTBSA-N 2 2 315.848 3.777 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1F ZINC000427895935 332557429 /nfs/dbraw/zinc/55/74/29/332557429.db2.gz UKISMHIFPYIRNA-BXUZGUMPSA-N 2 2 307.800 3.731 20 0 DHADLP C[C@H]([NH2+]CC1Cc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000562210935 332559293 /nfs/dbraw/zinc/55/92/93/332559293.db2.gz BDFBLPMFDWUSTC-HRAATJIYSA-N 2 2 308.469 3.682 20 0 DHADLP Cc1nsc(C)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000580208775 333009348 /nfs/dbraw/zinc/00/93/48/333009348.db2.gz NANUPCDVVCHNEY-UHFFFAOYSA-N 2 2 318.490 3.649 20 0 DHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1F ZINC000180123179 333027198 /nfs/dbraw/zinc/02/71/98/333027198.db2.gz IEUCTEIWXGBAHG-SFHVURJKSA-N 2 2 313.420 3.930 20 0 DHADLP Cc1cccc([C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccn2)c1 ZINC000179534255 333152294 /nfs/dbraw/zinc/15/22/94/333152294.db2.gz VPDBRDQZCZSRRZ-YVWKXTFCSA-N 2 2 309.457 3.552 20 0 DHADLP Cc1cccc([C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccn2)c1 ZINC000179534255 333152295 /nfs/dbraw/zinc/15/22/95/333152295.db2.gz VPDBRDQZCZSRRZ-YVWKXTFCSA-N 2 2 309.457 3.552 20 0 DHADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000582043258 333183202 /nfs/dbraw/zinc/18/32/02/333183202.db2.gz TWXZAOLTTVBREP-MUDKKEKZSA-N 2 2 304.478 3.532 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000309671892 333186954 /nfs/dbraw/zinc/18/69/54/333186954.db2.gz UAXAEZXAYXBSIZ-YLJYHZDGSA-N 2 2 309.457 3.644 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000309671892 333186955 /nfs/dbraw/zinc/18/69/55/333186955.db2.gz UAXAEZXAYXBSIZ-YLJYHZDGSA-N 2 2 309.457 3.644 20 0 DHADLP COCc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000310259070 333230134 /nfs/dbraw/zinc/23/01/34/333230134.db2.gz YZQPQTCUVZEUPF-LAUBAEHRSA-N 2 2 324.468 3.586 20 0 DHADLP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000310259070 333230135 /nfs/dbraw/zinc/23/01/35/333230135.db2.gz YZQPQTCUVZEUPF-LAUBAEHRSA-N 2 2 324.468 3.586 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cncc(F)c1 ZINC000119125322 333244825 /nfs/dbraw/zinc/24/48/25/333244825.db2.gz FROJUIMFZFWSCX-DNVCBOLYSA-N 2 2 313.420 3.536 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1cncc(F)c1 ZINC000119125322 333244826 /nfs/dbraw/zinc/24/48/26/333244826.db2.gz FROJUIMFZFWSCX-DNVCBOLYSA-N 2 2 313.420 3.536 20 0 DHADLP CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390565725 333300907 /nfs/dbraw/zinc/30/09/07/333300907.db2.gz PFLDSVYMBOLKQW-HXUWFJFHSA-N 2 2 324.468 3.840 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000390589070 333304033 /nfs/dbraw/zinc/30/40/33/333304033.db2.gz PTJYYYWXHZNXGM-DLBZAZTESA-N 2 2 312.457 3.866 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000390589070 333304035 /nfs/dbraw/zinc/30/40/35/333304035.db2.gz PTJYYYWXHZNXGM-DLBZAZTESA-N 2 2 312.457 3.866 20 0 DHADLP C[C@@H]1C[N@H+](CCSc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000094341836 333304157 /nfs/dbraw/zinc/30/41/57/333304157.db2.gz CQGWRBWMQYPVIN-MFKMUULPSA-N 2 2 319.301 3.755 20 0 DHADLP C[C@@H]1C[N@@H+](CCSc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000094341836 333304158 /nfs/dbraw/zinc/30/41/58/333304158.db2.gz CQGWRBWMQYPVIN-MFKMUULPSA-N 2 2 319.301 3.755 20 0 DHADLP Cc1ccc([C@H](CNc2cc[nH+]c(C(C)C)n2)[NH+]2CCCC2)o1 ZINC000110474175 333327217 /nfs/dbraw/zinc/32/72/17/333327217.db2.gz WLBDKSFEWOBGAR-HNNXBMFYSA-N 2 2 314.433 3.750 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000221912548 333377675 /nfs/dbraw/zinc/37/76/75/333377675.db2.gz VHIQALNJFSOSKN-ZDUSSCGKSA-N 2 2 313.283 3.830 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000221912548 333377676 /nfs/dbraw/zinc/37/76/76/333377676.db2.gz VHIQALNJFSOSKN-ZDUSSCGKSA-N 2 2 313.283 3.830 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000261930367 333380658 /nfs/dbraw/zinc/38/06/58/333380658.db2.gz JNHZOQSMCRXTHE-ZBFHGGJFSA-N 2 2 315.486 3.678 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000261930367 333380659 /nfs/dbraw/zinc/38/06/59/333380659.db2.gz JNHZOQSMCRXTHE-ZBFHGGJFSA-N 2 2 315.486 3.678 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CS1 ZINC000488520448 333382235 /nfs/dbraw/zinc/38/22/35/333382235.db2.gz VRPWMTTZHJDZJY-UBDQQSCGSA-N 2 2 306.519 3.798 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122089288 333391258 /nfs/dbraw/zinc/39/12/58/333391258.db2.gz BPBYZSJXOMUSSV-YOEHRIQHSA-N 2 2 301.459 3.809 20 0 DHADLP COc1ccc[nH+]c1N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563134585 333395748 /nfs/dbraw/zinc/39/57/48/333395748.db2.gz HHDJWDZLTHLUSF-KRWDZBQOSA-N 2 2 323.440 3.699 20 0 DHADLP COc1ccc[nH+]c1N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563134585 333395749 /nfs/dbraw/zinc/39/57/49/333395749.db2.gz HHDJWDZLTHLUSF-KRWDZBQOSA-N 2 2 323.440 3.699 20 0 DHADLP Cc1ccoc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390839534 333398306 /nfs/dbraw/zinc/39/83/06/333398306.db2.gz BOIXEFDAGAVZBZ-IBGZPJMESA-N 2 2 312.457 3.978 20 0 DHADLP Cc1ccoc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390839534 333398307 /nfs/dbraw/zinc/39/83/07/333398307.db2.gz BOIXEFDAGAVZBZ-IBGZPJMESA-N 2 2 312.457 3.978 20 0 DHADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152234005 333648981 /nfs/dbraw/zinc/64/89/81/333648981.db2.gz MXFQJYIFJSATMC-MGPUTAFESA-N 2 2 303.409 3.895 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000190859914 335157395 /nfs/dbraw/zinc/15/73/95/335157395.db2.gz LBJMVRHJJYLFMK-GFCCVEGCSA-N 2 2 311.351 3.636 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1csc(-c2ccccc2)n1 ZINC000414139290 333901421 /nfs/dbraw/zinc/90/14/21/333901421.db2.gz QHSXCOGARWRRKS-DZGCQCFKSA-N 2 2 324.453 3.672 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000414657949 334059813 /nfs/dbraw/zinc/05/98/13/334059813.db2.gz PLVANQNXRXTAIG-GOSISDBHSA-N 2 2 310.441 3.594 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000414657949 334059814 /nfs/dbraw/zinc/05/98/14/334059814.db2.gz PLVANQNXRXTAIG-GOSISDBHSA-N 2 2 310.441 3.594 20 0 DHADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(C2CCCC2)s1)C1CCCCC1 ZINC000414831089 334110546 /nfs/dbraw/zinc/11/05/46/334110546.db2.gz BXXOCYRSKRIMEB-MRXNPFEDSA-N 2 2 307.507 3.798 20 0 DHADLP [NH3+][C@@H](C[NH2+]Cc1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000414832206 334110985 /nfs/dbraw/zinc/11/09/85/334110985.db2.gz OCFRMMKKLXNEAY-LBPRGKRZSA-N 2 2 300.349 3.557 20 0 DHADLP [NH3+][C@H](C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000414838579 334111843 /nfs/dbraw/zinc/11/18/43/334111843.db2.gz VLSDHBMACPFHPR-OAHLLOKOSA-N 2 2 312.310 3.634 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414839396 334112247 /nfs/dbraw/zinc/11/22/47/334112247.db2.gz WGNYBSAXFYMONJ-YOEHRIQHSA-N 2 2 300.471 3.629 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+]C[C@]3(C)CCC[NH2+]C3)cs2)cc1 ZINC000414906460 334169812 /nfs/dbraw/zinc/16/98/12/334169812.db2.gz PSZKOEWSHBZKKO-GOSISDBHSA-N 2 2 315.486 3.598 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000414932587 334195560 /nfs/dbraw/zinc/19/55/60/334195560.db2.gz CWGQVIHRNXCMEQ-UFYCRDLUSA-N 2 2 312.457 3.633 20 0 DHADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000415080401 334272061 /nfs/dbraw/zinc/27/20/61/334272061.db2.gz JEZOPMQEOHPZCD-KGLIPLIRSA-N 2 2 319.474 3.804 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000414938401 334200060 /nfs/dbraw/zinc/20/00/60/334200060.db2.gz IQLSUUVQIOFDGR-YSGRDPCXSA-N 2 2 312.457 3.634 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000187757333 334272163 /nfs/dbraw/zinc/27/21/63/334272163.db2.gz IRJAKFWXUQEOFV-MRXNPFEDSA-N 2 2 323.415 3.791 20 0 DHADLP CC1([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[NH2+]CC1 ZINC000414943295 334203409 /nfs/dbraw/zinc/20/34/09/334203409.db2.gz NQMPTWGNAXDFIK-UHFFFAOYSA-N 2 2 306.759 3.591 20 0 DHADLP Fc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415084474 334272979 /nfs/dbraw/zinc/27/29/79/334272979.db2.gz RITOCRLIWCICGK-SJLPKXTDSA-N 2 2 302.368 3.548 20 0 DHADLP Cc1cc(N)cc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000414970572 334218196 /nfs/dbraw/zinc/21/81/96/334218196.db2.gz VDIFPUCVQYQJJC-JXFKEZNVSA-N 2 2 309.457 3.502 20 0 DHADLP Cc1cc(N)cc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000414970572 334218197 /nfs/dbraw/zinc/21/81/97/334218197.db2.gz VDIFPUCVQYQJJC-JXFKEZNVSA-N 2 2 309.457 3.502 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])C3CCCC3)cs2)cc1 ZINC000415063977 334262502 /nfs/dbraw/zinc/26/25/02/334262502.db2.gz JLZOETICFZMKTC-KRWDZBQOSA-N 2 2 315.486 3.726 20 0 DHADLP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000187582592 334265599 /nfs/dbraw/zinc/26/55/99/334265599.db2.gz BMKJJXIUYITAJP-UHFFFAOYSA-N 2 2 310.844 3.976 20 0 DHADLP CC[C@H](C[NH2+][C@@H](C)c1cc(C)ccn1)[N@@H+]1CCc2ccccc2C1 ZINC000514093341 334270506 /nfs/dbraw/zinc/27/05/06/334270506.db2.gz JAUOGWRZQTXAMG-FXAWDEMLSA-N 2 2 323.484 3.878 20 0 DHADLP CC[C@H](C[NH2+][C@@H](C)c1cc(C)ccn1)[N@H+]1CCc2ccccc2C1 ZINC000514093341 334270508 /nfs/dbraw/zinc/27/05/08/334270508.db2.gz JAUOGWRZQTXAMG-FXAWDEMLSA-N 2 2 323.484 3.878 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000531949982 334304101 /nfs/dbraw/zinc/30/41/01/334304101.db2.gz BDCUEVGYZIRKLB-FZMZJTMJSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000531949982 334304103 /nfs/dbraw/zinc/30/41/03/334304103.db2.gz BDCUEVGYZIRKLB-FZMZJTMJSA-N 2 2 301.261 3.813 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000531988461 334362075 /nfs/dbraw/zinc/36/20/75/334362075.db2.gz FGHVKUQURWWWNA-WBMJQRKESA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000531988461 334362076 /nfs/dbraw/zinc/36/20/76/334362076.db2.gz FGHVKUQURWWWNA-WBMJQRKESA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000531988461 334362078 /nfs/dbraw/zinc/36/20/78/334362078.db2.gz FGHVKUQURWWWNA-WBMJQRKESA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000531988461 334362079 /nfs/dbraw/zinc/36/20/79/334362079.db2.gz FGHVKUQURWWWNA-WBMJQRKESA-N 2 2 313.272 3.910 20 0 DHADLP COC1CCC([NH2+][C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000443193252 338446689 /nfs/dbraw/zinc/44/66/89/338446689.db2.gz LLUAJPMOMXPLJS-LOTPSLMQSA-N 2 2 304.478 3.533 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)nc1 ZINC000341584430 334458649 /nfs/dbraw/zinc/45/86/49/334458649.db2.gz FFQCNQHWTVPXCH-ZHALLVOQSA-N 2 2 313.489 3.604 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CCC2 ZINC000342322468 334532257 /nfs/dbraw/zinc/53/22/57/334532257.db2.gz LTDQPNQDFHGUHZ-QGZVFWFLSA-N 2 2 315.486 3.680 20 0 DHADLP C[C@@H](C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1)C[NH+](C)C ZINC000425935029 334774592 /nfs/dbraw/zinc/77/45/92/334774592.db2.gz GKJBBPRTEJEHHL-MGPUTAFESA-N 2 2 323.440 3.705 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cnc(C(F)(F)F)s1)C(C)(C)C ZINC000443985327 338465303 /nfs/dbraw/zinc/46/53/03/338465303.db2.gz GHTPIWBPNNNMNI-LLVKDONJSA-N 2 2 323.428 3.618 20 0 DHADLP COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188763537 334871781 /nfs/dbraw/zinc/87/17/81/334871781.db2.gz KPXXOMZUIDNLEC-LSDHHAIUSA-N 2 2 322.412 3.688 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000343826786 335196028 /nfs/dbraw/zinc/19/60/28/335196028.db2.gz FBSHJXCQDVXOJG-JTQLQIEISA-N 2 2 321.412 3.687 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000343868107 335198690 /nfs/dbraw/zinc/19/86/90/335198690.db2.gz VVHZZTIIELASHV-SNVBAGLBSA-N 2 2 321.412 3.685 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000343924004 335202387 /nfs/dbraw/zinc/20/23/87/335202387.db2.gz JTDDILFFYZWLSN-OAGGEKHMSA-N 2 2 322.518 3.558 20 0 DHADLP CCO[C@H]1C[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000344035510 335211089 /nfs/dbraw/zinc/21/10/89/335211089.db2.gz RTKGLNNYJNSQEY-ROUUACIJSA-N 2 2 315.461 3.528 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000344035511 335211143 /nfs/dbraw/zinc/21/11/43/335211143.db2.gz RTKGLNNYJNSQEY-ZWKOTPCHSA-N 2 2 315.461 3.528 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCc3ccc(F)cc31)CCC2 ZINC000344112626 335218073 /nfs/dbraw/zinc/21/80/73/335218073.db2.gz VHQUAWPUKBZVKD-MAUKXSAKSA-N 2 2 313.420 3.875 20 0 DHADLP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000344154477 335222556 /nfs/dbraw/zinc/22/25/56/335222556.db2.gz WNSDAERXHUCWCY-INIZCTEOSA-N 2 2 307.507 3.540 20 0 DHADLP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000344154477 335222558 /nfs/dbraw/zinc/22/25/58/335222558.db2.gz WNSDAERXHUCWCY-INIZCTEOSA-N 2 2 307.507 3.540 20 0 DHADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000344309361 335239477 /nfs/dbraw/zinc/23/94/77/335239477.db2.gz UGUYLLYKLXDLIW-CZUORRHYSA-N 2 2 319.474 3.617 20 0 DHADLP CCc1cnccc1[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344353086 335243452 /nfs/dbraw/zinc/24/34/52/335243452.db2.gz IYCRLJMFBJPWGO-ZDUSSCGKSA-N 2 2 312.442 3.742 20 0 DHADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Oc1ccccc1 ZINC000344451729 335249747 /nfs/dbraw/zinc/24/97/47/335249747.db2.gz SEEYXKDRMOUOPV-UHFFFAOYSA-N 2 2 321.424 3.820 20 0 DHADLP Cc1ccoc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000344522834 335255139 /nfs/dbraw/zinc/25/51/39/335255139.db2.gz ICQWCTHPCSPSOI-RHSMWYFYSA-N 2 2 304.459 3.822 20 0 DHADLP Cc1ccoc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000344522834 335255140 /nfs/dbraw/zinc/25/51/40/335255140.db2.gz ICQWCTHPCSPSOI-RHSMWYFYSA-N 2 2 304.459 3.822 20 0 DHADLP Fc1ccc(CC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1F ZINC000346080741 335373148 /nfs/dbraw/zinc/37/31/48/335373148.db2.gz PDMFDGMBTWVAHF-UHFFFAOYSA-N 2 2 319.399 3.506 20 0 DHADLP Cc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc2cccnc12 ZINC000346166785 335384404 /nfs/dbraw/zinc/38/44/04/335384404.db2.gz GSIZVIWYOLLWJN-UHFFFAOYSA-N 2 2 323.484 3.994 20 0 DHADLP Fc1ccc2c(c1)C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000346196437 335388898 /nfs/dbraw/zinc/38/88/98/335388898.db2.gz ZDOZDXGQRMZKMH-UHFFFAOYSA-N 2 2 313.401 3.631 20 0 DHADLP Fc1ccc2c(c1)C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000346196437 335388899 /nfs/dbraw/zinc/38/88/99/335388899.db2.gz ZDOZDXGQRMZKMH-UHFFFAOYSA-N 2 2 313.401 3.631 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCCc4ccccc4C3)cc2)c[nH+]1 ZINC000346209855 335390779 /nfs/dbraw/zinc/39/07/79/335390779.db2.gz ODVIPCZJSBHUKJ-UHFFFAOYSA-N 2 2 303.409 3.821 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCCc4ccccc4C3)cc2)c[nH+]1 ZINC000346209855 335390781 /nfs/dbraw/zinc/39/07/81/335390781.db2.gz ODVIPCZJSBHUKJ-UHFFFAOYSA-N 2 2 303.409 3.821 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12CCC2 ZINC000346311434 335398926 /nfs/dbraw/zinc/39/89/26/335398926.db2.gz GEEMJQBZCKXFLR-CQSZACIVSA-N 2 2 301.459 3.946 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12CCC2 ZINC000346311434 335398927 /nfs/dbraw/zinc/39/89/27/335398927.db2.gz GEEMJQBZCKXFLR-CQSZACIVSA-N 2 2 301.459 3.946 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)C[C@@H]3CC=CCC3)sc2C1 ZINC000346316560 335399162 /nfs/dbraw/zinc/39/91/62/335399162.db2.gz AQKCKVGVQJXXIN-OAHLLOKOSA-N 2 2 319.518 3.698 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)C[C@@H]3CC=CCC3)sc2C1 ZINC000346316560 335399165 /nfs/dbraw/zinc/39/91/65/335399165.db2.gz AQKCKVGVQJXXIN-OAHLLOKOSA-N 2 2 319.518 3.698 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)C[C@@H]3CC=CCC3)sc2C1 ZINC000346316560 335399167 /nfs/dbraw/zinc/39/91/67/335399167.db2.gz AQKCKVGVQJXXIN-OAHLLOKOSA-N 2 2 319.518 3.698 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)C[C@@H]3CC=CCC3)sc2C1 ZINC000346316560 335399168 /nfs/dbraw/zinc/39/91/68/335399168.db2.gz AQKCKVGVQJXXIN-OAHLLOKOSA-N 2 2 319.518 3.698 20 0 DHADLP CCC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccn1 ZINC000347002903 335458700 /nfs/dbraw/zinc/45/87/00/335458700.db2.gz ZQRYQNRIHJMISG-LJQANCHMSA-N 2 2 320.440 3.957 20 0 DHADLP Cc1ccc([C@H](C[NH2+]CCCc2c[nH+]ccc2C)N(C)C)cc1 ZINC000347920535 335538707 /nfs/dbraw/zinc/53/87/07/335538707.db2.gz WRQRRCCEKOSQPQ-FQEVSTJZSA-N 2 2 311.473 3.524 20 0 DHADLP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)[nH+]c1 ZINC000367067222 335625396 /nfs/dbraw/zinc/62/53/96/335625396.db2.gz QUZHOMHVLIFPJX-PKOBYXMFSA-N 2 2 324.472 3.985 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000350087175 335723306 /nfs/dbraw/zinc/72/33/06/335723306.db2.gz DPENPJBQYGZAKU-RDJZCZTQSA-N 2 2 310.526 3.680 20 0 DHADLP C[C@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000532222784 335917422 /nfs/dbraw/zinc/91/74/22/335917422.db2.gz WAYKHTXOVNZADK-ZWKOTPCHSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1ccc(CCC[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c[nH+]1 ZINC000351491511 336038386 /nfs/dbraw/zinc/03/83/86/336038386.db2.gz IQCPZWVSBIVUJX-OXQOHEQNSA-N 2 2 310.441 3.647 20 0 DHADLP Cc1ccc(CCC[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c[nH+]1 ZINC000351491511 336038387 /nfs/dbraw/zinc/03/83/87/336038387.db2.gz IQCPZWVSBIVUJX-OXQOHEQNSA-N 2 2 310.441 3.647 20 0 DHADLP Clc1sccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351549915 336042809 /nfs/dbraw/zinc/04/28/09/336042809.db2.gz GHYNYXZDQVWHSD-UHFFFAOYSA-N 2 2 304.806 3.653 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(C)(C)C)n2)C[C@@H]1C ZINC000351685853 336058321 /nfs/dbraw/zinc/05/83/21/336058321.db2.gz GRCJQECVVLWDAA-RDJZCZTQSA-N 2 2 319.493 3.564 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(C)(C)C)n2)C[C@@H]1C ZINC000351685853 336058322 /nfs/dbraw/zinc/05/83/22/336058322.db2.gz GRCJQECVVLWDAA-RDJZCZTQSA-N 2 2 319.493 3.564 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC(C)(C)C)n2)C[C@@H]1C ZINC000351685853 336058324 /nfs/dbraw/zinc/05/83/24/336058324.db2.gz GRCJQECVVLWDAA-RDJZCZTQSA-N 2 2 319.493 3.564 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC(C)(C)C)n2)C[C@@H]1C ZINC000351685853 336058325 /nfs/dbraw/zinc/05/83/25/336058325.db2.gz GRCJQECVVLWDAA-RDJZCZTQSA-N 2 2 319.493 3.564 20 0 DHADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000351731281 336063107 /nfs/dbraw/zinc/06/31/07/336063107.db2.gz UUZYIQGYMCXPCW-KRWDZBQOSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000351731281 336063108 /nfs/dbraw/zinc/06/31/08/336063108.db2.gz UUZYIQGYMCXPCW-KRWDZBQOSA-N 2 2 302.805 3.697 20 0 DHADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000572510440 338512868 /nfs/dbraw/zinc/51/28/68/338512868.db2.gz JCEQHOQWBJJJFJ-NSHDSACASA-N 2 2 317.246 3.627 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000352091878 336194439 /nfs/dbraw/zinc/19/44/39/336194439.db2.gz MBYYQOVEIBCNOJ-UHFFFAOYSA-N 2 2 319.474 3.646 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000352091878 336194440 /nfs/dbraw/zinc/19/44/40/336194440.db2.gz MBYYQOVEIBCNOJ-UHFFFAOYSA-N 2 2 319.474 3.646 20 0 DHADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000352245183 336206407 /nfs/dbraw/zinc/20/64/07/336206407.db2.gz DSDOBUGTRWMCNF-LLVKDONJSA-N 2 2 309.866 3.709 20 0 DHADLP Clc1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000352345782 336213456 /nfs/dbraw/zinc/21/34/56/336213456.db2.gz OAFBCRLYGHWCGA-PEXHTFQZSA-N 2 2 301.821 3.956 20 0 DHADLP Clc1ccc(/C=C\C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000352345782 336213457 /nfs/dbraw/zinc/21/34/57/336213457.db2.gz OAFBCRLYGHWCGA-PEXHTFQZSA-N 2 2 301.821 3.956 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000352351120 336213636 /nfs/dbraw/zinc/21/36/36/336213636.db2.gz WDVDNCNSRXGAQX-UHFFFAOYSA-N 2 2 318.367 3.712 20 0 DHADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])sc1Br ZINC000352526701 336222851 /nfs/dbraw/zinc/22/28/51/336222851.db2.gz QRYPIECTLJNZRR-LLVKDONJSA-N 2 2 317.296 3.522 20 0 DHADLP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])sc1Br ZINC000352526701 336222852 /nfs/dbraw/zinc/22/28/52/336222852.db2.gz QRYPIECTLJNZRR-LLVKDONJSA-N 2 2 317.296 3.522 20 0 DHADLP Cc1cccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1C ZINC000352760150 336233417 /nfs/dbraw/zinc/23/34/17/336233417.db2.gz NZZPLOBVBCLOST-AWEZNQCLSA-N 2 2 303.475 3.672 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000532449203 336246725 /nfs/dbraw/zinc/24/67/25/336246725.db2.gz QMWJEMDVULVOES-INIZCTEOSA-N 3 2 323.444 3.508 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000532463458 336249079 /nfs/dbraw/zinc/24/90/79/336249079.db2.gz WTZKGRNQMQQPLK-IAQYHMDHSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000532463458 336249080 /nfs/dbraw/zinc/24/90/80/336249080.db2.gz WTZKGRNQMQQPLK-IAQYHMDHSA-N 2 2 301.261 3.813 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3c1cccc3Cl)CCC2 ZINC000532537105 336255220 /nfs/dbraw/zinc/25/52/20/336255220.db2.gz XXVCWVQSWBISJO-GUYCJALGSA-N 2 2 315.848 3.999 20 0 DHADLP c1c[nH+]c(C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)[nH]1 ZINC000352851542 336279736 /nfs/dbraw/zinc/27/97/36/336279736.db2.gz CJDUDNGKZNUKRU-UHFFFAOYSA-N 2 2 324.453 3.913 20 0 DHADLP Clc1ccc(/C=C/C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000352852080 336280160 /nfs/dbraw/zinc/28/01/60/336280160.db2.gz DNTQOWXYNMBUCT-OWOJBTEDSA-N 2 2 301.821 3.956 20 0 DHADLP Clc1ccc(/C=C/C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000527048517 336281097 /nfs/dbraw/zinc/28/10/97/336281097.db2.gz SKZBXOQMGWJEEX-OWOJBTEDSA-N 2 2 301.821 3.956 20 0 DHADLP Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)nc(C(C)C)[nH+]1 ZINC000301108873 336290337 /nfs/dbraw/zinc/29/03/37/336290337.db2.gz KBLAUIJFWLDURN-UHFFFAOYSA-N 2 2 307.401 3.706 20 0 DHADLP Cc1cc(NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)nc[nH+]1 ZINC000301253644 336297013 /nfs/dbraw/zinc/29/70/13/336297013.db2.gz QIIOYJQHHJTLNK-HOTGVXAUSA-N 2 2 324.472 3.875 20 0 DHADLP c1cc2c(s1)CC[N@@H+](CCNc1cc[nH+]c3ccsc31)C2 ZINC000301357122 336302351 /nfs/dbraw/zinc/30/23/51/336302351.db2.gz KXMWLDHCHHSHEF-UHFFFAOYSA-N 2 2 315.467 3.828 20 0 DHADLP c1cc2c(s1)CC[N@H+](CCNc1cc[nH+]c3ccsc31)C2 ZINC000301357122 336302352 /nfs/dbraw/zinc/30/23/52/336302352.db2.gz KXMWLDHCHHSHEF-UHFFFAOYSA-N 2 2 315.467 3.828 20 0 DHADLP C[C@@H]1CCN(c2cc[nH+]cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000301516468 336311845 /nfs/dbraw/zinc/31/18/45/336311845.db2.gz BZCBEJPHFGJMHZ-OAHLLOKOSA-N 2 2 315.848 3.836 20 0 DHADLP C[C@@H]1CCN(c2cc[nH+]cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000301516468 336311846 /nfs/dbraw/zinc/31/18/46/336311846.db2.gz BZCBEJPHFGJMHZ-OAHLLOKOSA-N 2 2 315.848 3.836 20 0 DHADLP Clc1c[nH+]ccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000301590663 336316850 /nfs/dbraw/zinc/31/68/50/336316850.db2.gz QNFDNZGIMXVUQE-QPJJXVBHSA-N 2 2 313.832 3.570 20 0 DHADLP Cc1cc[nH+]c(NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000301651674 336320887 /nfs/dbraw/zinc/32/08/87/336320887.db2.gz QISCKPVGKRYMEV-UHFFFAOYSA-N 2 2 305.491 3.554 20 0 DHADLP Cc1cccc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)[nH+]1 ZINC000301691519 336323826 /nfs/dbraw/zinc/32/38/26/336323826.db2.gz KRKVFVZFHTZFOU-OAHLLOKOSA-N 2 2 315.848 3.927 20 0 DHADLP C[NH+]1CCC(Nc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301713889 336325201 /nfs/dbraw/zinc/32/52/01/336325201.db2.gz FWUCIPUCBBHQHH-UHFFFAOYSA-N 2 2 320.234 3.503 20 0 DHADLP CC(C)c1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc(C(C)C)[nH+]1 ZINC000301868785 336335313 /nfs/dbraw/zinc/33/53/13/336335313.db2.gz JBJSBZNDJJFJGU-ZBFHGGJFSA-N 2 2 302.466 3.762 20 0 DHADLP CC(C)c1cc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc(C(C)C)[nH+]1 ZINC000301868785 336335314 /nfs/dbraw/zinc/33/53/14/336335314.db2.gz JBJSBZNDJJFJGU-ZBFHGGJFSA-N 2 2 302.466 3.762 20 0 DHADLP C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301882023 336335939 /nfs/dbraw/zinc/33/59/39/336335939.db2.gz MLIDQRRIVUKKIK-DYVFJYSZSA-N 2 2 319.811 3.979 20 0 DHADLP C[N@H+]1CC[C@H](CNc2cccc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301882023 336335940 /nfs/dbraw/zinc/33/59/40/336335940.db2.gz MLIDQRRIVUKKIK-DYVFJYSZSA-N 2 2 319.811 3.979 20 0 DHADLP C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301898501 336336953 /nfs/dbraw/zinc/33/69/53/336336953.db2.gz WXIRLUMMEOLATR-MRXNPFEDSA-N 2 2 320.440 3.664 20 0 DHADLP C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301898501 336336954 /nfs/dbraw/zinc/33/69/54/336336954.db2.gz WXIRLUMMEOLATR-MRXNPFEDSA-N 2 2 320.440 3.664 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1cc[nH+]cc1Cl ZINC000301929278 336338481 /nfs/dbraw/zinc/33/84/81/336338481.db2.gz ZXDDZJLSKNIDJB-OAHLLOKOSA-N 2 2 315.848 3.836 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cc[nH+]cc1Cl ZINC000301929278 336338482 /nfs/dbraw/zinc/33/84/82/336338482.db2.gz ZXDDZJLSKNIDJB-OAHLLOKOSA-N 2 2 315.848 3.836 20 0 DHADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000302015132 336343237 /nfs/dbraw/zinc/34/32/37/336343237.db2.gz FILNEWTZDIFCDZ-AWEZNQCLSA-N 2 2 324.403 3.585 20 0 DHADLP C[C@@H](CCNc1cc(C(F)(F)F)cc[nH+]1)[NH+]1CCCCC1 ZINC000302156783 336351281 /nfs/dbraw/zinc/35/12/81/336351281.db2.gz MZROLKLVICZMGT-LBPRGKRZSA-N 2 2 301.356 3.777 20 0 DHADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000514107778 336362654 /nfs/dbraw/zinc/36/26/54/336362654.db2.gz QAOZKWXTCRMUHX-HNNXBMFYSA-N 2 2 310.869 3.525 20 0 DHADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000514107778 336362655 /nfs/dbraw/zinc/36/26/55/336362655.db2.gz QAOZKWXTCRMUHX-HNNXBMFYSA-N 2 2 310.869 3.525 20 0 DHADLP C[N@@H+]1CC[C@@H](Nc2cc[nH+]cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000302802386 336369912 /nfs/dbraw/zinc/36/99/12/336369912.db2.gz DACPTYZTCCQVGM-HZPDHXFCSA-N 2 2 323.774 3.871 20 0 DHADLP C[N@H+]1CC[C@@H](Nc2cc[nH+]cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000302802386 336369913 /nfs/dbraw/zinc/36/99/13/336369913.db2.gz DACPTYZTCCQVGM-HZPDHXFCSA-N 2 2 323.774 3.871 20 0 DHADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352905876 336375843 /nfs/dbraw/zinc/37/58/43/336375843.db2.gz BBJSTBZAYYPPSF-WBAXXEDZSA-N 2 2 302.462 3.609 20 0 DHADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352905876 336375844 /nfs/dbraw/zinc/37/58/44/336375844.db2.gz BBJSTBZAYYPPSF-WBAXXEDZSA-N 2 2 302.462 3.609 20 0 DHADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c(Cl)oc4ccccc43)[C@H]2C1 ZINC000352930259 336377879 /nfs/dbraw/zinc/37/78/79/336377879.db2.gz JQOOBEMIMYMHFS-WFASDCNBSA-N 2 2 304.821 3.612 20 0 DHADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c(Cl)oc4ccccc43)[C@H]2C1 ZINC000352930259 336377880 /nfs/dbraw/zinc/37/78/80/336377880.db2.gz JQOOBEMIMYMHFS-WFASDCNBSA-N 2 2 304.821 3.612 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c(Cl)oc4ccccc43)[C@H]2C1 ZINC000352930259 336377881 /nfs/dbraw/zinc/37/78/81/336377881.db2.gz JQOOBEMIMYMHFS-WFASDCNBSA-N 2 2 304.821 3.612 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c(Cl)oc4ccccc43)[C@H]2C1 ZINC000352930259 336377882 /nfs/dbraw/zinc/37/78/82/336377882.db2.gz JQOOBEMIMYMHFS-WFASDCNBSA-N 2 2 304.821 3.612 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000563933797 336385634 /nfs/dbraw/zinc/38/56/34/336385634.db2.gz VPNLQBNGRNUIGK-LPHOPBHVSA-N 2 2 316.489 3.623 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000563933797 336385635 /nfs/dbraw/zinc/38/56/35/336385635.db2.gz VPNLQBNGRNUIGK-LPHOPBHVSA-N 2 2 316.489 3.623 20 0 DHADLP c1cn(-c2ccc(C[NH2+]C3CC(c4ccccc4)C3)cc2)c[nH+]1 ZINC000105492675 336387652 /nfs/dbraw/zinc/38/76/52/336387652.db2.gz DUNBYPRTPQIAFK-UHFFFAOYSA-N 2 2 303.409 3.908 20 0 DHADLP Oc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563957297 336388423 /nfs/dbraw/zinc/38/84/23/336388423.db2.gz KUHPZMDKIAKYGI-LJQANCHMSA-N 2 2 322.452 3.679 20 0 DHADLP Oc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563957297 336388424 /nfs/dbraw/zinc/38/84/24/336388424.db2.gz KUHPZMDKIAKYGI-LJQANCHMSA-N 2 2 322.452 3.679 20 0 DHADLP Cc1ccc(CCC[NH2+]CCOc2ccc(Cl)cc2)c[nH+]1 ZINC000353928809 336449240 /nfs/dbraw/zinc/44/92/40/336449240.db2.gz LTEKJISFLJJAIG-UHFFFAOYSA-N 2 2 304.821 3.645 20 0 DHADLP CCOC[C@H]1CCC[C@H]1[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000353935457 336449949 /nfs/dbraw/zinc/44/99/49/336449949.db2.gz ZSGFQOKYLLDWBZ-IAGOWNOFSA-N 2 2 315.461 3.530 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)c[nH+]1 ZINC000354327180 336467022 /nfs/dbraw/zinc/46/70/22/336467022.db2.gz HPMBQKSKCDYPGI-UHFFFAOYSA-N 2 2 324.346 3.853 20 0 DHADLP CO[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)c1cccc(Cl)c1 ZINC000354513979 336473419 /nfs/dbraw/zinc/47/34/19/336473419.db2.gz ZXAMWCKJKAMMQT-GOSISDBHSA-N 2 2 318.848 3.953 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c[nH+]1 ZINC000354578120 336475692 /nfs/dbraw/zinc/47/56/92/336475692.db2.gz YWEGBAPJIUYJKH-UXHICEINSA-N 2 2 310.441 3.690 20 0 DHADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000355489741 336511491 /nfs/dbraw/zinc/51/14/91/336511491.db2.gz YWJINQIJFDJULI-UHFFFAOYSA-N 2 2 320.440 3.885 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)Cc1cccc(Cl)c1)CCC2 ZINC000367224478 336539372 /nfs/dbraw/zinc/53/93/72/336539372.db2.gz MDRQAUSAOCGCGY-CZUORRHYSA-N 2 2 317.864 3.943 20 0 DHADLP C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000367224493 336539374 /nfs/dbraw/zinc/53/93/74/336539374.db2.gz MFTKPOQHRKPARH-UKRRQHHQSA-N 2 2 303.837 3.635 20 0 DHADLP Cc1[nH+]c2c(Cl)cccc2c(NCCn2cc[nH+]c2)c1C ZINC000357293840 336579711 /nfs/dbraw/zinc/57/97/11/336579711.db2.gz BIBXJLLFKNLZHT-UHFFFAOYSA-N 2 2 300.793 3.814 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCC12CCOCC2)c1ccccc1 ZINC000367260783 336583053 /nfs/dbraw/zinc/58/30/53/336583053.db2.gz RZEIXGJDCQTGMU-OALUTQOASA-N 2 2 316.489 3.618 20 0 DHADLP CCCC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000358164671 336614345 /nfs/dbraw/zinc/61/43/45/336614345.db2.gz IJNALYQDQVESGS-MJGOQNOKSA-N 2 2 304.478 3.618 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)CCC2 ZINC000359325166 336667832 /nfs/dbraw/zinc/66/78/32/336667832.db2.gz SAEZSNYMVLKGIN-WMZOPIPTSA-N 2 2 313.420 3.949 20 0 DHADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000359371803 336669860 /nfs/dbraw/zinc/66/98/60/336669860.db2.gz AZJMIPKHERYPKB-BZUAXINKSA-N 2 2 310.507 3.534 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCCC(F)(F)F)CCC2 ZINC000359639880 336681399 /nfs/dbraw/zinc/68/13/99/336681399.db2.gz TYGAPPJWZATQMH-DGCLKSJQSA-N 2 2 303.372 3.780 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361253402 336747160 /nfs/dbraw/zinc/74/71/60/336747160.db2.gz VHPIIZUDFMEQGI-MRXNPFEDSA-N 2 2 318.367 3.714 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@]1(C)CCO[C@H]1C ZINC000361392930 336755023 /nfs/dbraw/zinc/75/50/23/336755023.db2.gz VEBACVIZKVEAKP-HNAYVOBHSA-N 2 2 315.461 3.672 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(F)cc1 ZINC000361650369 336767147 /nfs/dbraw/zinc/76/71/47/336767147.db2.gz AJROZNHTKRNIHC-RDJZCZTQSA-N 2 2 301.409 3.949 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc3c(s1)CCC3)CCC2 ZINC000361662229 336767674 /nfs/dbraw/zinc/76/76/74/336767674.db2.gz PNPWKRWXNDKSAH-UKRRQHHQSA-N 2 2 315.486 3.970 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000367954731 336833019 /nfs/dbraw/zinc/83/30/19/336833019.db2.gz DNOKYQUUOIDKEQ-UXHICEINSA-N 2 2 310.441 3.833 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(OC(C)C)cc1)CCC2 ZINC000368695982 336851024 /nfs/dbraw/zinc/85/10/24/336851024.db2.gz VYEXLSCCPJMFSR-KRWDZBQOSA-N 2 2 313.445 3.646 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1nccc2ccccc21 ZINC000370750198 336892934 /nfs/dbraw/zinc/89/29/34/336892934.db2.gz OTSMWKDDPCODFL-FAEJEUNOSA-N 2 2 309.457 3.902 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC(C)(C)Cc3occc31)CCC2 ZINC000374573855 336992606 /nfs/dbraw/zinc/99/26/06/336992606.db2.gz DTHYZLYOSNWZHN-GOEBONIOSA-N 2 2 313.445 3.965 20 0 DHADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000374578481 336992895 /nfs/dbraw/zinc/99/28/95/336992895.db2.gz VFKVUODAPMSXHJ-OALUTQOASA-N 2 2 311.473 3.988 20 0 DHADLP c1cn(CC[N@@H+]2CCCC[C@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000122242256 337000266 /nfs/dbraw/zinc/00/02/66/337000266.db2.gz PFANCQYBXIXXAL-HNNXBMFYSA-N 2 2 312.442 3.720 20 0 DHADLP c1cn(CC[N@H+]2CCCC[C@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000122242256 337000267 /nfs/dbraw/zinc/00/02/67/337000267.db2.gz PFANCQYBXIXXAL-HNNXBMFYSA-N 2 2 312.442 3.720 20 0 DHADLP CC(C)c1cc(N2CCC3(CCC[N@@H+]3C)CC2)nc(C(C)C)[nH+]1 ZINC000374986028 337001068 /nfs/dbraw/zinc/00/10/68/337001068.db2.gz HTVPIPUBUVNKSQ-UHFFFAOYSA-N 2 2 316.493 3.788 20 0 DHADLP CC(C)c1cc(N2CCC3(CCC[N@H+]3C)CC2)nc(C(C)C)[nH+]1 ZINC000374986028 337001069 /nfs/dbraw/zinc/00/10/69/337001069.db2.gz HTVPIPUBUVNKSQ-UHFFFAOYSA-N 2 2 316.493 3.788 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375270123 337006997 /nfs/dbraw/zinc/00/69/97/337006997.db2.gz UAETYPRCOZLUCG-CQSZACIVSA-N 2 2 315.486 3.662 20 0 DHADLP CC/C=C/CC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375485665 337012027 /nfs/dbraw/zinc/01/20/27/337012027.db2.gz HITAEIZEWQKSQD-WVBURXTLSA-N 2 2 307.507 3.608 20 0 DHADLP CC/C=C/CC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375485665 337012028 /nfs/dbraw/zinc/01/20/28/337012028.db2.gz HITAEIZEWQKSQD-WVBURXTLSA-N 2 2 307.507 3.608 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000375801906 337019833 /nfs/dbraw/zinc/01/98/33/337019833.db2.gz OTFBFMZPZIBNCS-OAHLLOKOSA-N 2 2 315.486 3.767 20 0 DHADLP FCCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000375958670 337024320 /nfs/dbraw/zinc/02/43/20/337024320.db2.gz DBSYFMPUBLHREV-VQIMIIECSA-N 2 2 319.468 3.554 20 0 DHADLP C[C@H]([NH2+]C1CCC2(CCCO2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000376416992 337032979 /nfs/dbraw/zinc/03/29/79/337032979.db2.gz VSGOJGOYEHQOGP-VHBXLISGSA-N 2 2 316.489 3.759 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376595792 337037507 /nfs/dbraw/zinc/03/75/07/337037507.db2.gz QWNUWBPVTILSIQ-DOTOQJQBSA-N 2 2 315.436 3.760 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376595792 337037508 /nfs/dbraw/zinc/03/75/08/337037508.db2.gz QWNUWBPVTILSIQ-DOTOQJQBSA-N 2 2 315.436 3.760 20 0 DHADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCC(C)(C)C1 ZINC000376679917 337039504 /nfs/dbraw/zinc/03/95/04/337039504.db2.gz MADODKSFDXNZNF-KSZLIROESA-N 2 2 301.478 3.585 20 0 DHADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCC(C)(C)C1 ZINC000376679917 337039505 /nfs/dbraw/zinc/03/95/05/337039505.db2.gz MADODKSFDXNZNF-KSZLIROESA-N 2 2 301.478 3.585 20 0 DHADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1CCC(C)(C)C1 ZINC000376679917 337039506 /nfs/dbraw/zinc/03/95/06/337039506.db2.gz MADODKSFDXNZNF-KSZLIROESA-N 2 2 301.478 3.585 20 0 DHADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1CCC(C)(C)C1 ZINC000376679917 337039507 /nfs/dbraw/zinc/03/95/07/337039507.db2.gz MADODKSFDXNZNF-KSZLIROESA-N 2 2 301.478 3.585 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000376806354 337041680 /nfs/dbraw/zinc/04/16/80/337041680.db2.gz JLRBYQDOSJSIEI-SCRDCRAPSA-N 2 2 307.488 3.548 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000376806354 337041681 /nfs/dbraw/zinc/04/16/81/337041681.db2.gz JLRBYQDOSJSIEI-SCRDCRAPSA-N 2 2 307.488 3.548 20 0 DHADLP COc1ccc2oc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)cc2c1 ZINC000377232875 337048955 /nfs/dbraw/zinc/04/89/55/337048955.db2.gz QHELWSDQTYENLV-UHFFFAOYSA-N 2 2 311.385 3.544 20 0 DHADLP COc1ccc2oc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cc2c1 ZINC000377232875 337048956 /nfs/dbraw/zinc/04/89/56/337048956.db2.gz QHELWSDQTYENLV-UHFFFAOYSA-N 2 2 311.385 3.544 20 0 DHADLP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000377383078 337051503 /nfs/dbraw/zinc/05/15/03/337051503.db2.gz OEBQETRFSQQWEV-YJYMSZOUSA-N 2 2 323.371 3.623 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000377713802 337059446 /nfs/dbraw/zinc/05/94/46/337059446.db2.gz BGTGKWQDDRBDEN-VAMGGRTRSA-N 2 2 316.489 3.728 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000377713802 337059447 /nfs/dbraw/zinc/05/94/47/337059447.db2.gz BGTGKWQDDRBDEN-VAMGGRTRSA-N 2 2 316.489 3.728 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2F)[C@@H]1c1ccccc1 ZINC000377763130 337060489 /nfs/dbraw/zinc/06/04/89/337060489.db2.gz QTHCXZFMUQYNKD-BEFAXECRSA-N 2 2 316.395 3.747 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2F)[C@@H]1c1ccccc1 ZINC000377763130 337060490 /nfs/dbraw/zinc/06/04/90/337060490.db2.gz QTHCXZFMUQYNKD-BEFAXECRSA-N 2 2 316.395 3.747 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2COc3cccc(Cl)c32)CC1 ZINC000377883367 337063208 /nfs/dbraw/zinc/06/32/08/337063208.db2.gz JIHALRVWJVGPHJ-CQSZACIVSA-N 2 2 308.853 3.626 20 0 DHADLP C[N@H+](C/C=C/c1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000377921462 337064003 /nfs/dbraw/zinc/06/40/03/337064003.db2.gz PPDHDDDSVWBJBY-VMPITWQZSA-N 2 2 321.468 3.691 20 0 DHADLP C[N@@H+](C/C=C/c1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000377921462 337064004 /nfs/dbraw/zinc/06/40/04/337064004.db2.gz PPDHDDDSVWBJBY-VMPITWQZSA-N 2 2 321.468 3.691 20 0 DHADLP CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000378147081 337067196 /nfs/dbraw/zinc/06/71/96/337067196.db2.gz HQERHUIBAMATEK-LFGUQSLTSA-N 2 2 315.505 3.850 20 0 DHADLP CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000378147081 337067197 /nfs/dbraw/zinc/06/71/97/337067197.db2.gz HQERHUIBAMATEK-LFGUQSLTSA-N 2 2 315.505 3.850 20 0 DHADLP c1[nH]cc(C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)[nH+]1 ZINC000378344075 337070375 /nfs/dbraw/zinc/07/03/75/337070375.db2.gz XZLCNTWCMIQTIK-UHFFFAOYSA-N 2 2 318.424 3.851 20 0 DHADLP Cc1cc(C)cc(C[N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000378381627 337071328 /nfs/dbraw/zinc/07/13/28/337071328.db2.gz FJGLMQMDWUMEDB-UHFFFAOYSA-N 2 2 323.484 3.795 20 0 DHADLP Cc1cc(C)cc(C[N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000378381627 337071329 /nfs/dbraw/zinc/07/13/29/337071329.db2.gz FJGLMQMDWUMEDB-UHFFFAOYSA-N 2 2 323.484 3.795 20 0 DHADLP CC[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1F ZINC000378489551 337074210 /nfs/dbraw/zinc/07/42/10/337074210.db2.gz CSQBYPXQGSIFSW-KRWDZBQOSA-N 2 2 310.376 3.647 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](c1ccc(F)c(F)c1)C(C)C)C2 ZINC000378609843 337076669 /nfs/dbraw/zinc/07/66/69/337076669.db2.gz LAKDIIPICULCHK-KDOFPFPSSA-N 2 2 319.399 3.771 20 0 DHADLP Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000175140166 337144763 /nfs/dbraw/zinc/14/47/63/337144763.db2.gz MFYHBXBRGCLPII-HXUWFJFHSA-N 2 2 320.440 3.938 20 0 DHADLP Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000175140166 337144764 /nfs/dbraw/zinc/14/47/64/337144764.db2.gz MFYHBXBRGCLPII-HXUWFJFHSA-N 2 2 320.440 3.938 20 0 DHADLP c1csc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000177232398 337154988 /nfs/dbraw/zinc/15/49/88/337154988.db2.gz RPYNFJJJADNCNM-HNNXBMFYSA-N 2 2 310.426 3.666 20 0 DHADLP c1csc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000177232398 337154989 /nfs/dbraw/zinc/15/49/89/337154989.db2.gz RPYNFJJJADNCNM-HNNXBMFYSA-N 2 2 310.426 3.666 20 0 DHADLP c1coc([C@H]([NH2+]Cc2cccc3[nH+]ccn32)c2ccccc2)c1 ZINC000179415784 337167760 /nfs/dbraw/zinc/16/77/60/337167760.db2.gz CODIPTGTXDDJRR-LJQANCHMSA-N 2 2 303.365 3.807 20 0 DHADLP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000179432995 337169385 /nfs/dbraw/zinc/16/93/85/337169385.db2.gz CEXVKOBPZVJRRY-LSDHHAIUSA-N 2 2 301.409 3.575 20 0 DHADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000179963657 337172830 /nfs/dbraw/zinc/17/28/30/337172830.db2.gz QFIPMUBKRPKMBB-QGZVFWFLSA-N 2 2 303.475 3.680 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183983879 337194330 /nfs/dbraw/zinc/19/43/30/337194330.db2.gz QESNHFAHXTZBSC-HNNXBMFYSA-N 2 2 319.399 3.812 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000183983879 337194331 /nfs/dbraw/zinc/19/43/31/337194331.db2.gz QESNHFAHXTZBSC-HNNXBMFYSA-N 2 2 319.399 3.812 20 0 DHADLP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1nc2c(s1)CCCC2 ZINC000183953892 337195763 /nfs/dbraw/zinc/19/57/63/337195763.db2.gz QWNHASJVRNGOFG-AWEZNQCLSA-N 2 2 321.534 3.795 20 0 DHADLP ClC(Cl)(Cl)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000184567680 337198490 /nfs/dbraw/zinc/19/84/90/337198490.db2.gz HDZAKOYCLXMDIA-LBPRGKRZSA-N 2 2 313.700 3.697 20 0 DHADLP ClC(Cl)(Cl)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000184567680 337198491 /nfs/dbraw/zinc/19/84/91/337198491.db2.gz HDZAKOYCLXMDIA-LBPRGKRZSA-N 2 2 313.700 3.697 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000184730123 337200069 /nfs/dbraw/zinc/20/00/69/337200069.db2.gz WVUYJAQTKDSMSP-HNNXBMFYSA-N 2 2 309.413 3.621 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000184730123 337200070 /nfs/dbraw/zinc/20/00/70/337200070.db2.gz WVUYJAQTKDSMSP-HNNXBMFYSA-N 2 2 309.413 3.621 20 0 DHADLP CCSc1cccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000185463683 337205528 /nfs/dbraw/zinc/20/55/28/337205528.db2.gz SDMSJSHPGRTTFY-UHFFFAOYSA-N 2 2 324.453 3.669 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000188028906 337270161 /nfs/dbraw/zinc/27/01/61/337270161.db2.gz RPSUWWOUPDJPPC-SJLPKXTDSA-N 2 2 301.478 3.604 20 0 DHADLP Fc1cccc(Cl)c1CCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000583204426 337270262 /nfs/dbraw/zinc/27/02/62/337270262.db2.gz LBHKRRKCIHTJHO-UHFFFAOYSA-N 2 2 324.871 3.876 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2nccnc2C)cc1 ZINC000188126722 337270976 /nfs/dbraw/zinc/27/09/76/337270976.db2.gz XJHYFAPAGCGIPR-HIFRSBDPSA-N 2 2 321.428 3.691 20 0 DHADLP COc1cnccc1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000188762185 337275521 /nfs/dbraw/zinc/27/55/21/337275521.db2.gz WODHPXDNXLQVOO-HNNXBMFYSA-N 2 2 317.477 3.538 20 0 DHADLP C[C@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000583257106 337291117 /nfs/dbraw/zinc/29/11/17/337291117.db2.gz GDCFHVPBOPYBOJ-YLQAJVPDSA-N 2 2 304.434 3.707 20 0 DHADLP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1csc(Cl)c1 ZINC000191163566 337292629 /nfs/dbraw/zinc/29/26/29/337292629.db2.gz LPRGGVIQTLXYGI-LLVKDONJSA-N 2 2 318.833 3.833 20 0 DHADLP Cc1ncsc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192016139 337301996 /nfs/dbraw/zinc/30/19/96/337301996.db2.gz SKNUOHBAVJFTOV-UHFFFAOYSA-N 2 2 312.442 3.578 20 0 DHADLP Cc1ncsc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192016139 337301997 /nfs/dbraw/zinc/30/19/97/337301997.db2.gz SKNUOHBAVJFTOV-UHFFFAOYSA-N 2 2 312.442 3.578 20 0 DHADLP Cc1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000192952355 337308686 /nfs/dbraw/zinc/30/86/86/337308686.db2.gz CRFDLPVCYWKPAQ-QGZVFWFLSA-N 2 2 322.456 3.596 20 0 DHADLP Cc1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000192952355 337308687 /nfs/dbraw/zinc/30/86/87/337308687.db2.gz CRFDLPVCYWKPAQ-QGZVFWFLSA-N 2 2 322.456 3.596 20 0 DHADLP Clc1cccc(Cl)c1CCC[NH2+]CCCn1cc[nH+]c1 ZINC000193264783 337309606 /nfs/dbraw/zinc/30/96/06/337309606.db2.gz HUHAPGCJBUBJSY-UHFFFAOYSA-N 2 2 312.244 3.802 20 0 DHADLP CC[N@H+](CC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000584437074 337325016 /nfs/dbraw/zinc/32/50/16/337325016.db2.gz QEIMHEMZIGTQGD-ZDUSSCGKSA-N 2 2 314.395 3.883 20 0 DHADLP CC[N@@H+](CC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000584437074 337325017 /nfs/dbraw/zinc/32/50/17/337325017.db2.gz QEIMHEMZIGTQGD-ZDUSSCGKSA-N 2 2 314.395 3.883 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000583839141 337340819 /nfs/dbraw/zinc/34/08/19/337340819.db2.gz VEKAURKWMXBKLK-XLIONFOSSA-N 2 2 310.441 3.785 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000583839141 337340820 /nfs/dbraw/zinc/34/08/20/337340820.db2.gz VEKAURKWMXBKLK-XLIONFOSSA-N 2 2 310.441 3.785 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000583901405 337384904 /nfs/dbraw/zinc/38/49/04/337384904.db2.gz BRVFBYPVAWCGHZ-PMPSAXMXSA-N 2 2 315.848 3.846 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000583901405 337384905 /nfs/dbraw/zinc/38/49/05/337384905.db2.gz BRVFBYPVAWCGHZ-PMPSAXMXSA-N 2 2 315.848 3.846 20 0 DHADLP CO[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)CC(C)C ZINC000419237355 337477472 /nfs/dbraw/zinc/47/74/72/337477472.db2.gz BZVUEZWTBCCZPR-QAPCUYQASA-N 2 2 301.434 3.584 20 0 DHADLP Clc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000069710802 337545907 /nfs/dbraw/zinc/54/59/07/337545907.db2.gz GKGQMLIROVFQRX-UHFFFAOYSA-N 2 2 321.877 3.551 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1cccc(CO)c1 ZINC000248627819 337566344 /nfs/dbraw/zinc/56/63/44/337566344.db2.gz FSGYUDSXDSLDDW-TWOQFEAHSA-N 2 2 312.457 3.521 20 0 DHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000421832922 337651620 /nfs/dbraw/zinc/65/16/20/337651620.db2.gz ICTANHVZTQBADJ-ZDUSSCGKSA-N 2 2 304.821 3.945 20 0 DHADLP CC(C)COc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422730747 337684426 /nfs/dbraw/zinc/68/44/26/337684426.db2.gz FPYCFCNDRFTOBM-MOPGFXCFSA-N 2 2 310.441 3.956 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)c2ccccc21 ZINC000422938558 337692500 /nfs/dbraw/zinc/69/25/00/337692500.db2.gz HDVOFIPYMXMJIV-IXDOHACOSA-N 2 2 314.816 3.898 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3c(F)cccc32)c2ccccc21 ZINC000423046308 337696957 /nfs/dbraw/zinc/69/69/57/337696957.db2.gz TZGTXSNSDVOOKB-KURKYZTESA-N 2 2 312.388 3.774 20 0 DHADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423059496 337697641 /nfs/dbraw/zinc/69/76/41/337697641.db2.gz MCKZAIMZGMEBDU-RTBURBONSA-N 2 2 309.457 3.766 20 0 DHADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423091481 337698950 /nfs/dbraw/zinc/69/89/50/337698950.db2.gz XEIOYJAUSQNRFX-QEJZJMRPSA-N 2 2 300.368 3.719 20 0 DHADLP COc1ccc([C@H]([NH2+]CCC2CC(F)(F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423163305 337702124 /nfs/dbraw/zinc/70/21/24/337702124.db2.gz MNXGOQMVORLGBA-SJORKVTESA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000423264692 337708288 /nfs/dbraw/zinc/70/82/88/337708288.db2.gz QCKDAQMFTGXCLL-STQMWFEESA-N 2 2 300.393 3.620 20 0 DHADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2ccccc2c1OC(F)F ZINC000423332393 337712470 /nfs/dbraw/zinc/71/24/70/337712470.db2.gz VCZBXAZNMWDGDW-BZNIZROVSA-N 2 2 320.383 3.829 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)C1CCOCC1 ZINC000527197903 337737415 /nfs/dbraw/zinc/73/74/15/337737415.db2.gz DXNMGPHDZUXQHV-FFZOFVMBSA-N 2 2 318.505 3.781 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000527629768 337753029 /nfs/dbraw/zinc/75/30/29/337753029.db2.gz QQXPCPYECXXCOU-IWCQGFGOSA-N 2 2 304.503 3.909 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000527692836 337760250 /nfs/dbraw/zinc/76/02/50/337760250.db2.gz PKJWXWWWHQNSJW-FOIQADDNSA-N 2 2 307.441 3.949 20 0 DHADLP CCC([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)(C1CC1)C1CC1 ZINC000527765886 337762168 /nfs/dbraw/zinc/76/21/68/337762168.db2.gz UKWOWQFWSPJYTP-UHFFFAOYSA-N 2 2 301.459 3.992 20 0 DHADLP c1ccc2c(c1)cc[nH+]c2NCc1cc[nH+]c(N2CCCC2)c1 ZINC000527833595 337767474 /nfs/dbraw/zinc/76/74/74/337767474.db2.gz DAXTZEBAZRPTNS-UHFFFAOYSA-N 2 2 304.397 3.842 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000108368829 337835804 /nfs/dbraw/zinc/83/58/04/337835804.db2.gz GHJAPVWMKIKQMC-UHFFFAOYSA-N 2 2 312.457 3.681 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1nc2c(s1)CCCC2 ZINC000091733566 337894963 /nfs/dbraw/zinc/89/49/63/337894963.db2.gz WRVUQUUJGAPBLR-MJBXVCDLSA-N 2 2 307.507 3.545 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2nc(C)sc2c1 ZINC000426394241 338030203 /nfs/dbraw/zinc/03/02/03/338030203.db2.gz DCQFIWSDZHRKPR-CVEARBPZSA-N 2 2 315.486 3.663 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2nc(C)sc2c1 ZINC000426394241 338030204 /nfs/dbraw/zinc/03/02/04/338030204.db2.gz DCQFIWSDZHRKPR-CVEARBPZSA-N 2 2 315.486 3.663 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2nc(C)sc2c1 ZINC000426394241 338030205 /nfs/dbraw/zinc/03/02/05/338030205.db2.gz DCQFIWSDZHRKPR-CVEARBPZSA-N 2 2 315.486 3.663 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2nc(C)sc2c1 ZINC000426394241 338030206 /nfs/dbraw/zinc/03/02/06/338030206.db2.gz DCQFIWSDZHRKPR-CVEARBPZSA-N 2 2 315.486 3.663 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000428248326 338044261 /nfs/dbraw/zinc/04/42/61/338044261.db2.gz PVJAWBLQTXUJAZ-INIZCTEOSA-N 2 2 305.466 3.557 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000428248326 338044262 /nfs/dbraw/zinc/04/42/62/338044262.db2.gz PVJAWBLQTXUJAZ-INIZCTEOSA-N 2 2 305.466 3.557 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c[nH+]1 ZINC000428270830 338045023 /nfs/dbraw/zinc/04/50/23/338045023.db2.gz WFEYTMLXEHAHRM-PKOBYXMFSA-N 3 2 315.505 3.565 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c[nH+]1 ZINC000428270830 338045024 /nfs/dbraw/zinc/04/50/24/338045024.db2.gz WFEYTMLXEHAHRM-PKOBYXMFSA-N 3 2 315.505 3.565 20 0 DHADLP C[C@@H](C[NH2+]Cc1nc2ccc(F)cc2s1)C[NH+]1CCCCC1 ZINC000428875527 338063951 /nfs/dbraw/zinc/06/39/51/338063951.db2.gz VCNSCTNLTQKCGK-ZDUSSCGKSA-N 2 2 321.465 3.647 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000429417449 338080311 /nfs/dbraw/zinc/08/03/11/338080311.db2.gz KYTWSDAFIZJZTI-HKUYNNGSSA-N 2 2 316.489 3.588 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000429417449 338080312 /nfs/dbraw/zinc/08/03/12/338080312.db2.gz KYTWSDAFIZJZTI-HKUYNNGSSA-N 2 2 316.489 3.588 20 0 DHADLP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000429515588 338082756 /nfs/dbraw/zinc/08/27/56/338082756.db2.gz NUAYYGJJTNDINM-MJGOQNOKSA-N 2 2 316.489 3.588 20 0 DHADLP COC1(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000429515588 338082757 /nfs/dbraw/zinc/08/27/57/338082757.db2.gz NUAYYGJJTNDINM-MJGOQNOKSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[N@@H+]1C ZINC000430027339 338093906 /nfs/dbraw/zinc/09/39/06/338093906.db2.gz NLGQWWFYRBHNBF-SUMWQHHRSA-N 2 2 322.880 3.701 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[N@H+]1C ZINC000430027339 338093907 /nfs/dbraw/zinc/09/39/07/338093907.db2.gz NLGQWWFYRBHNBF-SUMWQHHRSA-N 2 2 322.880 3.701 20 0 DHADLP CC1(C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1c1cccnc1 ZINC000430085586 338095410 /nfs/dbraw/zinc/09/54/10/338095410.db2.gz NLWQMUDWDYXYEC-KRWDZBQOSA-N 2 2 324.453 3.912 20 0 DHADLP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1c1cccnc1 ZINC000430085586 338095411 /nfs/dbraw/zinc/09/54/11/338095411.db2.gz NLWQMUDWDYXYEC-KRWDZBQOSA-N 2 2 324.453 3.912 20 0 DHADLP CC(C)[C@H]1[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12CCC2 ZINC000430107048 338097031 /nfs/dbraw/zinc/09/70/31/338097031.db2.gz SLJJXOORYHIAFJ-MRXNPFEDSA-N 2 2 301.459 3.944 20 0 DHADLP CC(C)[C@H]1[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12CCC2 ZINC000430107048 338097032 /nfs/dbraw/zinc/09/70/32/338097032.db2.gz SLJJXOORYHIAFJ-MRXNPFEDSA-N 2 2 301.459 3.944 20 0 DHADLP C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)[C@H]1C[NH3+] ZINC000430586961 338109215 /nfs/dbraw/zinc/10/92/15/338109215.db2.gz ZTFCTMOCPKZISO-PXAZEXFGSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)[C@H]1C[NH3+] ZINC000430586961 338109216 /nfs/dbraw/zinc/10/92/16/338109216.db2.gz ZTFCTMOCPKZISO-PXAZEXFGSA-N 2 2 319.836 3.554 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1C ZINC000430653712 338110455 /nfs/dbraw/zinc/11/04/55/338110455.db2.gz ZHUXRONXWBGGLJ-YJBOKZPZSA-N 2 2 302.462 3.516 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1C ZINC000430653712 338110456 /nfs/dbraw/zinc/11/04/56/338110456.db2.gz ZHUXRONXWBGGLJ-YJBOKZPZSA-N 2 2 302.462 3.516 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]CCSCc2ccccc2)c[nH+]1 ZINC000430749996 338113463 /nfs/dbraw/zinc/11/34/63/338113463.db2.gz AIBPRKGXSVKHRN-UHFFFAOYSA-N 2 2 323.465 3.895 20 0 DHADLP C[NH2+]CCCC(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000430793717 338115208 /nfs/dbraw/zinc/11/52/08/338115208.db2.gz MWFUNKVDAHENCS-UHFFFAOYSA-N 2 2 314.433 3.549 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cs2)cc1 ZINC000430931264 338118993 /nfs/dbraw/zinc/11/89/93/338118993.db2.gz BAWOFHKLYRKORS-GUYCJALGSA-N 2 2 315.486 3.542 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cs2)cc1 ZINC000430931264 338118994 /nfs/dbraw/zinc/11/89/94/338118994.db2.gz BAWOFHKLYRKORS-GUYCJALGSA-N 2 2 315.486 3.542 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1Br ZINC000149762149 338120622 /nfs/dbraw/zinc/12/06/22/338120622.db2.gz UIRIXJZSEYXKQR-SNVBAGLBSA-N 2 2 319.674 3.532 20 0 DHADLP C[C@H](C[NH2+]Cc1csc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000432228717 338149216 /nfs/dbraw/zinc/14/92/16/338149216.db2.gz LMKXJARUNMAZLH-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1Cl)Cn1cc[nH+]c1 ZINC000432239789 338149974 /nfs/dbraw/zinc/14/99/74/338149974.db2.gz GQAAZAIGDICJMT-JTQLQIEISA-N 2 2 316.207 3.755 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432721354 338164026 /nfs/dbraw/zinc/16/40/26/338164026.db2.gz VTXDNQASRMSHOM-LBPRGKRZSA-N 2 2 320.424 3.931 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432721354 338164027 /nfs/dbraw/zinc/16/40/27/338164027.db2.gz VTXDNQASRMSHOM-LBPRGKRZSA-N 2 2 320.424 3.931 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432721354 338164028 /nfs/dbraw/zinc/16/40/28/338164028.db2.gz VTXDNQASRMSHOM-LBPRGKRZSA-N 2 2 320.424 3.931 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432721354 338164029 /nfs/dbraw/zinc/16/40/29/338164029.db2.gz VTXDNQASRMSHOM-LBPRGKRZSA-N 2 2 320.424 3.931 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3s2)C[C@@H]1C ZINC000432753624 338166419 /nfs/dbraw/zinc/16/64/19/338166419.db2.gz VXSNZQFDNYWXCZ-JSGCOSHPSA-N 2 2 321.465 3.740 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3s2)C[C@@H]1C ZINC000432753624 338166420 /nfs/dbraw/zinc/16/64/20/338166420.db2.gz VXSNZQFDNYWXCZ-JSGCOSHPSA-N 2 2 321.465 3.740 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(F)cc3s2)C[C@@H]1C ZINC000432753624 338166421 /nfs/dbraw/zinc/16/64/21/338166421.db2.gz VXSNZQFDNYWXCZ-JSGCOSHPSA-N 2 2 321.465 3.740 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(F)cc3s2)C[C@@H]1C ZINC000432753624 338166422 /nfs/dbraw/zinc/16/64/22/338166422.db2.gz VXSNZQFDNYWXCZ-JSGCOSHPSA-N 2 2 321.465 3.740 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000433038374 338177788 /nfs/dbraw/zinc/17/77/88/338177788.db2.gz JTLXEYMFWIWKKP-MBOZVWFJSA-N 2 2 324.468 3.953 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000433038374 338177789 /nfs/dbraw/zinc/17/77/89/338177789.db2.gz JTLXEYMFWIWKKP-MBOZVWFJSA-N 2 2 324.468 3.953 20 0 DHADLP Cn1c2ccccc2[nH+]c1CCCNc1cc[nH+]c2ccccc12 ZINC000433765905 338200962 /nfs/dbraw/zinc/20/09/62/338200962.db2.gz MXMXSPBJBMLRJW-UHFFFAOYSA-N 2 2 316.408 3.588 20 0 DHADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c(C)c1 ZINC000435053166 338231109 /nfs/dbraw/zinc/23/11/09/338231109.db2.gz MYXWLGWJZOTVQR-GOSISDBHSA-N 2 2 321.424 3.833 20 0 DHADLP Cc1cc2[nH]c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c(C)c1 ZINC000435053166 338231110 /nfs/dbraw/zinc/23/11/10/338231110.db2.gz MYXWLGWJZOTVQR-GOSISDBHSA-N 2 2 321.424 3.833 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@@H]3C[C@@H](c4ccccc4)C3)cc2)c[nH+]1 ZINC000435785784 338249076 /nfs/dbraw/zinc/24/90/76/338249076.db2.gz DUNBYPRTPQIAFK-WGSAOQKQSA-N 2 2 303.409 3.908 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3C[C@H](c4ccccc4F)C3)n2c1 ZINC000435789375 338249332 /nfs/dbraw/zinc/24/93/32/338249332.db2.gz DWGGPTYHWACTGR-SHTZXODSSA-N 2 2 309.388 3.818 20 0 DHADLP COCCC1(C[NH2+]C[C@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC000436281621 338265616 /nfs/dbraw/zinc/26/56/16/338265616.db2.gz QHZHFSIKWNMPDN-LJQANCHMSA-N 2 2 318.505 3.866 20 0 DHADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000437754990 338320210 /nfs/dbraw/zinc/32/02/10/338320210.db2.gz RNWKUDWPLURFST-NQIIRXRSSA-N 2 2 319.452 3.977 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000438102120 338331670 /nfs/dbraw/zinc/33/16/70/338331670.db2.gz CYXTWRKTXBDZQZ-SCLBCKFNSA-N 2 2 312.392 3.587 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000438102120 338331671 /nfs/dbraw/zinc/33/16/71/338331671.db2.gz CYXTWRKTXBDZQZ-SCLBCKFNSA-N 2 2 312.392 3.587 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438193720 338335976 /nfs/dbraw/zinc/33/59/76/338335976.db2.gz VWQWVIUTNJXPMQ-LXTVHRRPSA-N 2 2 306.416 3.960 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438193720 338335977 /nfs/dbraw/zinc/33/59/77/338335977.db2.gz VWQWVIUTNJXPMQ-LXTVHRRPSA-N 2 2 306.416 3.960 20 0 DHADLP COc1cccc2c(NCC3CC[NH+](C4CC4)CC3)cc[nH+]c12 ZINC000440636363 338393639 /nfs/dbraw/zinc/39/36/39/338393639.db2.gz LQZVCTLONGLVNS-UHFFFAOYSA-N 2 2 311.429 3.530 20 0 DHADLP CCO[C@H](C[NH2+]Cc1c[nH+]c2c(C)cccn12)c1ccccc1 ZINC000194459576 338532376 /nfs/dbraw/zinc/53/23/76/338532376.db2.gz KLIIZCPNRVWOJX-GOSISDBHSA-N 2 2 309.413 3.510 20 0 DHADLP CC(C)(C)c1cnc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000447944657 338572536 /nfs/dbraw/zinc/57/25/36/338572536.db2.gz SHYQMNOGGBNCIN-UHFFFAOYSA-N 2 2 309.523 3.793 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccccn1 ZINC000449062129 338589614 /nfs/dbraw/zinc/58/96/14/338589614.db2.gz IKBGNJFSXLPEDH-ZWKOTPCHSA-N 2 2 323.484 3.828 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449078931 338591433 /nfs/dbraw/zinc/59/14/33/338591433.db2.gz WXVVOLPUQJBAOG-UKPHBRMFSA-N 2 2 303.837 3.851 20 0 DHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cscn2)CC1 ZINC000449106799 338594157 /nfs/dbraw/zinc/59/41/57/338594157.db2.gz JWJTVFOJHHXNBI-UHFFFAOYSA-N 2 2 309.523 3.912 20 0 DHADLP CC(C)OC1CC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000449349784 338616264 /nfs/dbraw/zinc/61/62/64/338616264.db2.gz HVLYUSYHIGMCRS-UHFFFAOYSA-N 2 2 319.836 3.571 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C[C@H](C)[NH+](C)C ZINC000449558297 338637446 /nfs/dbraw/zinc/63/74/46/338637446.db2.gz WPVNICDVDBGWQP-RPHSKFLZSA-N 2 2 300.368 3.648 20 0 DHADLP CC[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1ccncc1 ZINC000453060550 338788743 /nfs/dbraw/zinc/78/87/43/338788743.db2.gz RNCCYYLTRJFPIZ-WOJBJXKFSA-N 2 2 309.457 3.959 20 0 DHADLP Clc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCC2)cc1 ZINC000453201889 338807190 /nfs/dbraw/zinc/80/71/90/338807190.db2.gz NSAPRDAMYAKCJN-WMZOPIPTSA-N 2 2 315.848 3.982 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)no1 ZINC000459381201 339026076 /nfs/dbraw/zinc/02/60/76/339026076.db2.gz URCJSHMFCIBMLH-OAHLLOKOSA-N 2 2 313.445 3.647 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)no1 ZINC000459381201 339026077 /nfs/dbraw/zinc/02/60/77/339026077.db2.gz URCJSHMFCIBMLH-OAHLLOKOSA-N 2 2 313.445 3.647 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459478447 339031636 /nfs/dbraw/zinc/03/16/36/339031636.db2.gz INHBPLXRIQHINS-QGZVFWFLSA-N 2 2 309.457 3.752 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000459478447 339031637 /nfs/dbraw/zinc/03/16/37/339031637.db2.gz INHBPLXRIQHINS-QGZVFWFLSA-N 2 2 309.457 3.752 20 0 DHADLP Cc1cccc2c(NCc3[nH+]ccn3CC(C)C)c(C)c[nH+]c12 ZINC000462487179 339079946 /nfs/dbraw/zinc/07/99/46/339079946.db2.gz CYDNPMGOOJDAMQ-UHFFFAOYSA-N 2 2 308.429 3.738 20 0 DHADLP c1cc2[nH+]ccc(N3CCC[N@@H+](C4CCCC4)CC3)c2s1 ZINC000462868391 339095324 /nfs/dbraw/zinc/09/53/24/339095324.db2.gz QRWIANHKWXHGBW-UHFFFAOYSA-N 2 2 301.459 3.751 20 0 DHADLP c1cc2[nH+]ccc(N3CCC[N@H+](C4CCCC4)CC3)c2s1 ZINC000462868391 339095325 /nfs/dbraw/zinc/09/53/25/339095325.db2.gz QRWIANHKWXHGBW-UHFFFAOYSA-N 2 2 301.459 3.751 20 0 DHADLP Cc1cccc(C[NH+]2CCN(c3cc[nH+]c4ccsc43)CC2)c1 ZINC000462922469 339098211 /nfs/dbraw/zinc/09/82/11/339098211.db2.gz IQWCIIIFLJDFII-UHFFFAOYSA-N 2 2 323.465 3.927 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000463191586 339108823 /nfs/dbraw/zinc/10/88/23/339108823.db2.gz ISAAEPQMXWHJLH-WMLDXEAASA-N 2 2 317.502 3.856 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466360362 339200604 /nfs/dbraw/zinc/20/06/04/339200604.db2.gz CDCJKZKJILDQMW-WLYUNCDWSA-N 2 2 306.416 3.819 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466360362 339200605 /nfs/dbraw/zinc/20/06/05/339200605.db2.gz CDCJKZKJILDQMW-WLYUNCDWSA-N 2 2 306.416 3.819 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H]3C[C@@H](c4ccccc4C)C3)c[nH+]c12 ZINC000466384649 339201822 /nfs/dbraw/zinc/20/18/22/339201822.db2.gz VGPOCJXDAPMTGO-QAQDUYKDSA-N 2 2 305.425 3.987 20 0 DHADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000467343095 339232654 /nfs/dbraw/zinc/23/26/54/339232654.db2.gz MCIPFPAAEJZWQX-RBUKOAKNSA-N 2 2 315.505 3.738 20 0 DHADLP CC[N@H+](CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000467357143 339233781 /nfs/dbraw/zinc/23/37/81/339233781.db2.gz ZVESIGJMNJDZGR-CYBMUJFWSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@@H+](CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000467357143 339233782 /nfs/dbraw/zinc/23/37/82/339233782.db2.gz ZVESIGJMNJDZGR-CYBMUJFWSA-N 2 2 314.395 3.710 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000467378396 339235451 /nfs/dbraw/zinc/23/54/51/339235451.db2.gz VHASRTQVDGTZQY-QYZOEREBSA-N 2 2 317.521 3.982 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000467378395 339235460 /nfs/dbraw/zinc/23/54/60/339235460.db2.gz VHASRTQVDGTZQY-QRVBRYPASA-N 2 2 317.521 3.982 20 0 DHADLP Cc1ccccc1[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000467422107 339237791 /nfs/dbraw/zinc/23/77/91/339237791.db2.gz YADCYXBFNVUBBF-UAPYVXQJSA-N 2 2 321.468 3.895 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000467433833 339238391 /nfs/dbraw/zinc/23/83/91/339238391.db2.gz AMEWJAMWSYDGMU-HDPKWDCASA-N 2 2 322.855 3.797 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000467433833 339238392 /nfs/dbraw/zinc/23/83/92/339238392.db2.gz AMEWJAMWSYDGMU-HDPKWDCASA-N 2 2 322.855 3.797 20 0 DHADLP COc1ccc(C[NH2+]CCC[NH+](C(C)C)C(C)C)c(Cl)c1 ZINC000467766352 339246234 /nfs/dbraw/zinc/24/62/34/339246234.db2.gz GOPLWSNXVQJSIN-UHFFFAOYSA-N 2 2 312.885 3.947 20 0 DHADLP CCCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000468553657 339266060 /nfs/dbraw/zinc/26/60/60/339266060.db2.gz KZYFVWPGQLSUFR-SJLPKXTDSA-N 2 2 310.526 3.824 20 0 DHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000469772085 339298607 /nfs/dbraw/zinc/29/86/07/339298607.db2.gz IYHWIFYJJXVQOF-RLLQIKCJSA-N 2 2 318.505 3.548 20 0 DHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000469772085 339298608 /nfs/dbraw/zinc/29/86/08/339298608.db2.gz IYHWIFYJJXVQOF-RLLQIKCJSA-N 2 2 318.505 3.548 20 0 DHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000469772083 339298641 /nfs/dbraw/zinc/29/86/41/339298641.db2.gz IYHWIFYJJXVQOF-HOJAQTOUSA-N 2 2 318.505 3.548 20 0 DHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000469772083 339298642 /nfs/dbraw/zinc/29/86/42/339298642.db2.gz IYHWIFYJJXVQOF-HOJAQTOUSA-N 2 2 318.505 3.548 20 0 DHADLP C[C@H](C[NH2+]CCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000470366136 339318262 /nfs/dbraw/zinc/31/82/62/339318262.db2.gz VINJDKVOIZOJOB-CQSZACIVSA-N 2 2 303.837 3.930 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000471596520 339348720 /nfs/dbraw/zinc/34/87/20/339348720.db2.gz YBQBKZWZIAHLPA-RLFYNMQTSA-N 2 2 304.503 3.548 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000471596520 339348721 /nfs/dbraw/zinc/34/87/21/339348721.db2.gz YBQBKZWZIAHLPA-RLFYNMQTSA-N 2 2 304.503 3.548 20 0 DHADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2c1C ZINC000473131128 339381734 /nfs/dbraw/zinc/38/17/34/339381734.db2.gz GGTCJOKNDMAEEC-SFHVURJKSA-N 2 2 321.424 3.833 20 0 DHADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2c1C ZINC000473131128 339381735 /nfs/dbraw/zinc/38/17/35/339381735.db2.gz GGTCJOKNDMAEEC-SFHVURJKSA-N 2 2 321.424 3.833 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCC(F)(F)CC1 ZINC000474029252 339397757 /nfs/dbraw/zinc/39/77/57/339397757.db2.gz CZKXGTUJEUNODM-AWEZNQCLSA-N 2 2 323.431 3.854 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1CCC(F)(F)CC1 ZINC000474048047 339398063 /nfs/dbraw/zinc/39/80/63/339398063.db2.gz VKZBWVABDFYKGA-LSDHHAIUSA-N 2 2 302.453 3.910 20 0 DHADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000480334938 339569639 /nfs/dbraw/zinc/56/96/39/339569639.db2.gz NYIKYAKZVQJLCY-ZBFHGGJFSA-N 2 2 316.411 3.870 20 0 DHADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000481313130 339600728 /nfs/dbraw/zinc/60/07/28/339600728.db2.gz JFHJXCVZGUEPDD-PMACEKPBSA-N 2 2 315.505 3.850 20 0 DHADLP c1cn(-c2cccc(C[NH2+][C@H](Cc3ccccc3)C3CC3)c2)c[nH+]1 ZINC000483135765 339653397 /nfs/dbraw/zinc/65/33/97/339653397.db2.gz PVHFXPPQNQKAPV-OAQYLSRUSA-N 2 2 317.436 3.983 20 0 DHADLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3cccc(Cl)c3)CC2)c1 ZINC000483519587 339667941 /nfs/dbraw/zinc/66/79/41/339667941.db2.gz QLTKNXDLEZBGPY-OAHLLOKOSA-N 2 2 315.848 3.927 20 0 DHADLP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)CS1 ZINC000488413494 339780439 /nfs/dbraw/zinc/78/04/39/339780439.db2.gz FNGLEFCOLRGPKB-LSDHHAIUSA-N 2 2 307.507 3.784 20 0 DHADLP COCC(C)(C)C[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000494358079 339947366 /nfs/dbraw/zinc/94/73/66/339947366.db2.gz SNWWDEYKDFIHRR-INIZCTEOSA-N 2 2 324.534 3.783 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)C[N@@H+]1C1CC1 ZINC000499671785 340042569 /nfs/dbraw/zinc/04/25/69/340042569.db2.gz QMFJKFUKQSMWOS-WCQYABFASA-N 2 2 313.272 3.751 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)C[N@H+]1C1CC1 ZINC000499671785 340042570 /nfs/dbraw/zinc/04/25/70/340042570.db2.gz QMFJKFUKQSMWOS-WCQYABFASA-N 2 2 313.272 3.751 20 0 DHADLP Fc1cccc(Cl)c1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000500444621 340059000 /nfs/dbraw/zinc/05/90/00/340059000.db2.gz VHUUNQKHHVZRII-UHFFFAOYSA-N 2 2 324.871 3.972 20 0 DHADLP Cc1cccn2cc(COc3ccc(C[NH2+]C4CCC4)cc3)[nH+]c12 ZINC000501363190 340079212 /nfs/dbraw/zinc/07/92/12/340079212.db2.gz RYKHTLXUAHWOHE-UHFFFAOYSA-N 2 2 321.424 3.864 20 0 DHADLP CC[N@H+](C)CC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000501387202 340079754 /nfs/dbraw/zinc/07/97/54/340079754.db2.gz JXARCRMFLHKWEM-UHFFFAOYSA-N 2 2 318.411 3.638 20 0 DHADLP CC[N@@H+](C)CC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000501387202 340079755 /nfs/dbraw/zinc/07/97/55/340079755.db2.gz JXARCRMFLHKWEM-UHFFFAOYSA-N 2 2 318.411 3.638 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)COC(C)C)[NH+]2CCCC2)cc1 ZINC000501432690 340080950 /nfs/dbraw/zinc/08/09/50/340080950.db2.gz DYAYKWKBIFUPOJ-PKOBYXMFSA-N 2 2 304.478 3.535 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000502453067 340104152 /nfs/dbraw/zinc/10/41/52/340104152.db2.gz JVJZTEYCWXMXMT-UMGGQSCQSA-N 2 2 318.505 3.781 20 0 DHADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000503033659 340119188 /nfs/dbraw/zinc/11/91/88/340119188.db2.gz JAVNNTKMZLZQOY-SJORKVTESA-N 2 2 305.425 3.889 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)on2)C[C@@H]1C ZINC000503080266 340120521 /nfs/dbraw/zinc/12/05/21/340120521.db2.gz KABBLUCGZDZUGH-MAUKXSAKSA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)on2)C[C@@H]1C ZINC000503080266 340120522 /nfs/dbraw/zinc/12/05/22/340120522.db2.gz KABBLUCGZDZUGH-MAUKXSAKSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)C[C@@H]1C ZINC000503080266 340120523 /nfs/dbraw/zinc/12/05/23/340120523.db2.gz KABBLUCGZDZUGH-MAUKXSAKSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)C[C@@H]1C ZINC000503080266 340120524 /nfs/dbraw/zinc/12/05/24/340120524.db2.gz KABBLUCGZDZUGH-MAUKXSAKSA-N 2 2 313.445 3.646 20 0 DHADLP CC[C@@H]1C[C@@H](C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000503580983 340131467 /nfs/dbraw/zinc/13/14/67/340131467.db2.gz HXIOLZFVAVYATR-RBUKOAKNSA-N 2 2 318.505 3.692 20 0 DHADLP CC[C@@H]1C[C@@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000503580983 340131468 /nfs/dbraw/zinc/13/14/68/340131468.db2.gz HXIOLZFVAVYATR-RBUKOAKNSA-N 2 2 318.505 3.692 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000503907895 340136326 /nfs/dbraw/zinc/13/63/26/340136326.db2.gz FLSOXHNMSUSHFY-DAXOMENPSA-N 2 2 321.371 3.683 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000503912437 340136574 /nfs/dbraw/zinc/13/65/74/340136574.db2.gz SBRMIHKXSMCXIG-QMCVQRASSA-N 2 2 324.415 3.572 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000503912437 340136575 /nfs/dbraw/zinc/13/65/75/340136575.db2.gz SBRMIHKXSMCXIG-QMCVQRASSA-N 2 2 324.415 3.572 20 0 DHADLP C[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507475175 340221667 /nfs/dbraw/zinc/22/16/67/340221667.db2.gz ZOKFLVAFBOXQNP-KBPBESRZSA-N 2 2 306.416 3.819 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCC2CCCC2)CC1 ZINC000507493422 340222630 /nfs/dbraw/zinc/22/26/30/340222630.db2.gz HPRWBOPKEFPMEJ-UHFFFAOYSA-N 2 2 306.416 3.963 20 0 DHADLP CC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000402709649 340256311 /nfs/dbraw/zinc/25/63/11/340256311.db2.gz UIPCBRLLFLULBK-ZDUSSCGKSA-N 2 2 311.351 3.941 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]CC[NH+]2CCCC2)sc1Br ZINC000510256466 340294284 /nfs/dbraw/zinc/29/42/84/340294284.db2.gz OLNLVPBAUBMVRJ-LLVKDONJSA-N 2 2 317.296 3.565 20 0 DHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000510650533 340305053 /nfs/dbraw/zinc/30/50/53/340305053.db2.gz KGAKGUXQKQAKFU-CYBMUJFWSA-N 2 2 316.411 3.956 20 0 DHADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1COC ZINC000511048063 340319387 /nfs/dbraw/zinc/31/93/87/340319387.db2.gz WSIDOIAQNPEAPV-NXNYUAIASA-N 2 2 316.489 3.700 20 0 DHADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1COC ZINC000511048063 340319388 /nfs/dbraw/zinc/31/93/88/340319388.db2.gz WSIDOIAQNPEAPV-NXNYUAIASA-N 2 2 316.489 3.700 20 0 DHADLP CC(C)[N@H+]1C[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000511585382 340331407 /nfs/dbraw/zinc/33/14/07/340331407.db2.gz BJAFDWCQGVULFJ-HKLFFYFNSA-N 2 2 306.881 3.904 20 0 DHADLP CC(C)[N@@H+]1C[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000511585382 340331408 /nfs/dbraw/zinc/33/14/08/340331408.db2.gz BJAFDWCQGVULFJ-HKLFFYFNSA-N 2 2 306.881 3.904 20 0 DHADLP COc1ccsc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000512179364 340351109 /nfs/dbraw/zinc/35/11/09/340351109.db2.gz LOJDXRYZUHASPB-MRXNPFEDSA-N 2 2 322.518 3.701 20 0 DHADLP COc1ccsc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000512179364 340351110 /nfs/dbraw/zinc/35/11/10/340351110.db2.gz LOJDXRYZUHASPB-MRXNPFEDSA-N 2 2 322.518 3.701 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000512406755 340360716 /nfs/dbraw/zinc/36/07/16/340360716.db2.gz SZSMHVZORRVQRB-MRXNPFEDSA-N 2 2 312.457 3.792 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000512577087 340367692 /nfs/dbraw/zinc/36/76/92/340367692.db2.gz HBNFVXHTVMGJDZ-ZTFGCOKTSA-N 2 2 324.896 3.880 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000512577087 340367693 /nfs/dbraw/zinc/36/76/93/340367693.db2.gz HBNFVXHTVMGJDZ-ZTFGCOKTSA-N 2 2 324.896 3.880 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512869394 340381687 /nfs/dbraw/zinc/38/16/87/340381687.db2.gz RHGLXEJSLOEFFU-HIFRSBDPSA-N 2 2 312.379 3.754 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512869394 340381688 /nfs/dbraw/zinc/38/16/88/340381688.db2.gz RHGLXEJSLOEFFU-HIFRSBDPSA-N 2 2 312.379 3.754 20 0 DHADLP c1cc(C[NH+]2CCC([NH2+]CCC3CCCCCC3)CC2)ccn1 ZINC000517262273 340467049 /nfs/dbraw/zinc/46/70/49/340467049.db2.gz GSDCVPXRDPVEOG-UHFFFAOYSA-N 2 2 315.505 3.996 20 0 DHADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1sccc1Br ZINC000521225583 340483588 /nfs/dbraw/zinc/48/35/88/340483588.db2.gz FLVMMUZWVFHRGF-ZJUUUORDSA-N 2 2 305.285 3.535 20 0 DHADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCSCC1 ZINC000186907295 340516792 /nfs/dbraw/zinc/51/67/92/340516792.db2.gz YKHVUMZQDSHGIP-LPHOPBHVSA-N 2 2 318.530 3.945 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000237227466 340669197 /nfs/dbraw/zinc/66/91/97/340669197.db2.gz SXHMDQQQAHCSQJ-AEFFLSMTSA-N 2 2 306.494 3.582 20 0 DHADLP c1cn(Cc2cccc(Cn3cc[nH+]c3C3CC3)c2)c(C2CC2)[nH+]1 ZINC000530131876 340780512 /nfs/dbraw/zinc/78/05/12/340780512.db2.gz PQONMIKKUMKWQQ-UHFFFAOYSA-N 2 2 318.424 3.931 20 0 DHADLP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)c2)cc1 ZINC000530178670 340781744 /nfs/dbraw/zinc/78/17/44/340781744.db2.gz PSLAEPYZFDMOCU-HXUWFJFHSA-N 2 2 322.452 3.640 20 0 DHADLP c1ccc(COc2cccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)c2)cc1 ZINC000530178669 340781795 /nfs/dbraw/zinc/78/17/95/340781795.db2.gz PSLAEPYZFDMOCU-FQEVSTJZSA-N 2 2 322.452 3.640 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)c2ccccc2)cc1 ZINC000530213623 340782656 /nfs/dbraw/zinc/78/26/56/340782656.db2.gz AZBVRFFYWCXAIM-WOJBJXKFSA-N 2 2 322.452 3.659 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(OC(F)(F)F)c1 ZINC000530220539 340782922 /nfs/dbraw/zinc/78/29/22/340782922.db2.gz OJAHYMFQRXOMDY-SMDDNHRTSA-N 2 2 314.351 3.520 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000530226285 340783184 /nfs/dbraw/zinc/78/31/84/340783184.db2.gz ZLJXAWFWVTZDMT-LSDHHAIUSA-N 2 2 323.278 3.774 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1OC ZINC000530219637 340783024 /nfs/dbraw/zinc/78/30/24/340783024.db2.gz MESTWQBWSCHZIT-GOEBONIOSA-N 2 2 308.853 3.674 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000127584773 340853572 /nfs/dbraw/zinc/85/35/72/340853572.db2.gz OWLRKEYSBFWQEO-MRXNPFEDSA-N 2 2 323.415 3.964 20 0 DHADLP COC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000539087448 340872228 /nfs/dbraw/zinc/87/22/28/340872228.db2.gz STKFKXDMPOQSRG-LJQANCHMSA-N 2 2 320.452 3.510 20 0 DHADLP C[C@@H]1CC[N@H+](C[C@H]2CCc3ccccc3C2)C[C@@H]1n1cc[nH+]c1 ZINC000542915131 341026232 /nfs/dbraw/zinc/02/62/32/341026232.db2.gz JFWKJHLSUNOKGM-UWVAXJGDSA-N 2 2 309.457 3.571 20 0 DHADLP C[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@@H]1n1cc[nH+]c1 ZINC000542915131 341026233 /nfs/dbraw/zinc/02/62/33/341026233.db2.gz JFWKJHLSUNOKGM-UWVAXJGDSA-N 2 2 309.457 3.571 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130670698 341038764 /nfs/dbraw/zinc/03/87/64/341038764.db2.gz NFUSUPGSIOCBBS-QGZVFWFLSA-N 2 2 311.816 3.807 20 0 DHADLP FC1(F)CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000543414710 341043140 /nfs/dbraw/zinc/04/31/40/341043140.db2.gz LKNFIJLEPVRZCD-IAGOWNOFSA-N 2 2 308.416 3.819 20 0 DHADLP FC1(F)CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000543414710 341043141 /nfs/dbraw/zinc/04/31/41/341043141.db2.gz LKNFIJLEPVRZCD-IAGOWNOFSA-N 2 2 308.416 3.819 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544936617 341100281 /nfs/dbraw/zinc/10/02/81/341100281.db2.gz BVTSLAYWXGDRCR-HZPDHXFCSA-N 2 2 314.395 3.972 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000544936617 341100282 /nfs/dbraw/zinc/10/02/82/341100282.db2.gz BVTSLAYWXGDRCR-HZPDHXFCSA-N 2 2 314.395 3.972 20 0 DHADLP CC[C@@H](CC(F)(F)F)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544936616 341100362 /nfs/dbraw/zinc/10/03/62/341100362.db2.gz BVTSLAYWXGDRCR-HOTGVXAUSA-N 2 2 314.395 3.972 20 0 DHADLP CC[C@@H](CC(F)(F)F)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000544936616 341100363 /nfs/dbraw/zinc/10/03/63/341100363.db2.gz BVTSLAYWXGDRCR-HOTGVXAUSA-N 2 2 314.395 3.972 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000545157928 341110671 /nfs/dbraw/zinc/11/06/71/341110671.db2.gz JXPAJPULPFFELY-MRXNPFEDSA-N 2 2 304.503 3.581 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000545157928 341110672 /nfs/dbraw/zinc/11/06/72/341110672.db2.gz JXPAJPULPFFELY-MRXNPFEDSA-N 2 2 304.503 3.581 20 0 DHADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000545278397 341118844 /nfs/dbraw/zinc/11/88/44/341118844.db2.gz IMVWVRLHXAFAQH-UHFFFAOYSA-N 2 2 323.465 3.927 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000546689247 341178974 /nfs/dbraw/zinc/17/89/74/341178974.db2.gz VNSPEERVELJGOG-QZTJIDSGSA-N 2 2 312.461 3.683 20 0 DHADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CCC2 ZINC000133912479 341199397 /nfs/dbraw/zinc/19/93/97/341199397.db2.gz YJARWQONSSRJKP-PKOBYXMFSA-N 2 2 312.388 3.751 20 0 DHADLP Fc1ccc2c(c1)[C@H]([N@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CCC2 ZINC000133912479 341199398 /nfs/dbraw/zinc/19/93/98/341199398.db2.gz YJARWQONSSRJKP-PKOBYXMFSA-N 2 2 312.388 3.751 20 0 DHADLP COc1ccc(C)cc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000076901230 341215373 /nfs/dbraw/zinc/21/53/73/341215373.db2.gz DNKFCFKVDGNTDN-UHFFFAOYSA-N 2 2 323.440 3.613 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CCS2 ZINC000548306097 341255232 /nfs/dbraw/zinc/25/52/32/341255232.db2.gz FXOZRXMOUGIJPA-CXAGYDPISA-N 2 2 304.503 3.772 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CCS2 ZINC000548306097 341255233 /nfs/dbraw/zinc/25/52/33/341255233.db2.gz FXOZRXMOUGIJPA-CXAGYDPISA-N 2 2 304.503 3.772 20 0 DHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549413292 341293942 /nfs/dbraw/zinc/29/39/42/341293942.db2.gz KPGNEOHERSKUQV-YJBOKZPZSA-N 2 2 308.416 3.571 20 0 DHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549413292 341293943 /nfs/dbraw/zinc/29/39/43/341293943.db2.gz KPGNEOHERSKUQV-YJBOKZPZSA-N 2 2 308.416 3.571 20 0 DHADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549413292 341293944 /nfs/dbraw/zinc/29/39/44/341293944.db2.gz KPGNEOHERSKUQV-YJBOKZPZSA-N 2 2 308.416 3.571 20 0 DHADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549413292 341293945 /nfs/dbraw/zinc/29/39/45/341293945.db2.gz KPGNEOHERSKUQV-YJBOKZPZSA-N 2 2 308.416 3.571 20 0 DHADLP CCOCC(C)(C)[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000549813421 341303885 /nfs/dbraw/zinc/30/38/85/341303885.db2.gz KKHUJDHXUOHGBZ-UHFFFAOYSA-N 2 2 317.477 3.920 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000245720110 341311812 /nfs/dbraw/zinc/31/18/12/341311812.db2.gz HTCCRZDQMCOEEV-XJKSGUPXSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000245720110 341311813 /nfs/dbraw/zinc/31/18/13/341311813.db2.gz HTCCRZDQMCOEEV-XJKSGUPXSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000245720110 341311814 /nfs/dbraw/zinc/31/18/14/341311814.db2.gz HTCCRZDQMCOEEV-XJKSGUPXSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000245720110 341311815 /nfs/dbraw/zinc/31/18/15/341311815.db2.gz HTCCRZDQMCOEEV-XJKSGUPXSA-N 2 2 310.869 3.511 20 0 DHADLP CC1CC[NH+]([C@@H](C[NH2+][C@@H]2CCOC2(C)C)c2ccccc2)CC1 ZINC000550621419 341319830 /nfs/dbraw/zinc/31/98/30/341319830.db2.gz BAGWRJLDFUDNIC-RBUKOAKNSA-N 2 2 316.489 3.617 20 0 DHADLP C[C@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)[N@H+](C)C1CC1 ZINC000551030654 341329694 /nfs/dbraw/zinc/32/96/94/341329694.db2.gz YIIBRCAPHNQCSQ-FZKQIMNGSA-N 2 2 306.881 3.733 20 0 DHADLP C[C@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)[N@@H+](C)C1CC1 ZINC000551030654 341329695 /nfs/dbraw/zinc/32/96/95/341329695.db2.gz YIIBRCAPHNQCSQ-FZKQIMNGSA-N 2 2 306.881 3.733 20 0 DHADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H]1Cc1ccccc1 ZINC000551098221 341331607 /nfs/dbraw/zinc/33/16/07/341331607.db2.gz WGUSGGTZTMROMP-VQTJNVASSA-N 2 2 300.490 3.956 20 0 DHADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H]1Cc1ccccc1 ZINC000551098221 341331608 /nfs/dbraw/zinc/33/16/08/341331608.db2.gz WGUSGGTZTMROMP-VQTJNVASSA-N 2 2 300.490 3.956 20 0 DHADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000551098221 341331609 /nfs/dbraw/zinc/33/16/09/341331609.db2.gz WGUSGGTZTMROMP-VQTJNVASSA-N 2 2 300.490 3.956 20 0 DHADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000551098221 341331610 /nfs/dbraw/zinc/33/16/10/341331610.db2.gz WGUSGGTZTMROMP-VQTJNVASSA-N 2 2 300.490 3.956 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000551228769 341334601 /nfs/dbraw/zinc/33/46/01/341334601.db2.gz JYXYKRWCCRVMMD-SJLPKXTDSA-N 2 2 317.521 3.954 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000551228769 341334602 /nfs/dbraw/zinc/33/46/02/341334602.db2.gz JYXYKRWCCRVMMD-SJLPKXTDSA-N 2 2 317.521 3.954 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000551537561 341344855 /nfs/dbraw/zinc/34/48/55/341344855.db2.gz URMLNCKEUVAWPI-SMMRIJLZSA-N 2 2 318.505 3.753 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000246855698 341357778 /nfs/dbraw/zinc/35/77/78/341357778.db2.gz CSVZOOYMSZTRLZ-LXZJYRNTSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000246855698 341357779 /nfs/dbraw/zinc/35/77/79/341357779.db2.gz CSVZOOYMSZTRLZ-LXZJYRNTSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247341387 341363762 /nfs/dbraw/zinc/36/37/62/341363762.db2.gz GRZKVZPGXBVMNH-XJKSGUPXSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247341387 341363763 /nfs/dbraw/zinc/36/37/63/341363763.db2.gz GRZKVZPGXBVMNH-XJKSGUPXSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000552063560 341366493 /nfs/dbraw/zinc/36/64/93/341366493.db2.gz CWTOLDXGGNURFS-ZDUSSCGKSA-N 2 2 319.399 3.609 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000248386609 341376151 /nfs/dbraw/zinc/37/61/51/341376151.db2.gz NEBGPWNETPNFTB-APWZRJJASA-N 2 2 304.453 3.707 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000248386609 341376152 /nfs/dbraw/zinc/37/61/52/341376152.db2.gz NEBGPWNETPNFTB-APWZRJJASA-N 2 2 304.453 3.707 20 0 DHADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCCn1cc[nH+]c1 ZINC000552225737 341379457 /nfs/dbraw/zinc/37/94/57/341379457.db2.gz LCDKQQZSEDBIJI-AWEZNQCLSA-N 2 2 307.388 3.552 20 0 DHADLP CCc1ccc([C@H](C[NH2+]CC[C@@H]2CCOC2)[NH+](CC)CC)cc1 ZINC000552278198 341383511 /nfs/dbraw/zinc/38/35/11/341383511.db2.gz VQTAFYFJVKLJKC-QUCCMNQESA-N 2 2 318.505 3.648 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000249417314 341397419 /nfs/dbraw/zinc/39/74/19/341397419.db2.gz ZOWOJSOCWWVLTM-BLLLJJGKSA-N 2 2 307.800 3.759 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000249417314 341397420 /nfs/dbraw/zinc/39/74/20/341397420.db2.gz ZOWOJSOCWWVLTM-BLLLJJGKSA-N 2 2 307.800 3.759 20 0 DHADLP CC(C)C[C@@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)[NH+](C)C ZINC000554858442 341466999 /nfs/dbraw/zinc/46/69/99/341466999.db2.gz OEYHZMUYCMTVIO-UYJHFMRCSA-N 2 2 310.432 3.777 20 0 DHADLP CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268835726 341604687 /nfs/dbraw/zinc/60/46/87/341604687.db2.gz SFUQXDMCVWOCSW-CVEARBPZSA-N 2 2 301.434 3.657 20 0 DHADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000155681439 341611303 /nfs/dbraw/zinc/61/13/03/341611303.db2.gz KRXKACDDEHLWHM-INIZCTEOSA-N 2 2 321.852 3.922 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)C1CC1 ZINC000156673059 341624830 /nfs/dbraw/zinc/62/48/30/341624830.db2.gz RGZBSXVPCZQWDW-MOPGFXCFSA-N 2 2 302.462 3.610 20 0 DHADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000569035213 341688880 /nfs/dbraw/zinc/68/88/80/341688880.db2.gz QGVHVTMQGAFWMB-ZWKOTPCHSA-N 2 2 311.473 3.888 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H]3CCCC[C@@H]3C(F)(F)F)c[nH+]c12 ZINC000576703353 341859397 /nfs/dbraw/zinc/85/93/97/341859397.db2.gz HOHJPDYHLDFVTQ-UONOGXRCSA-N 2 2 311.351 3.853 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)CCC[NH+]2CCCC2)c1C ZINC000337201320 518233412 /nfs/dbraw/zinc/23/34/12/518233412.db2.gz CTIXCTLKXNQMOV-UHFFFAOYSA-N 2 2 316.489 3.732 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CCC[NH+]2CCCC2)c1C ZINC000337201320 518233421 /nfs/dbraw/zinc/23/34/21/518233421.db2.gz CTIXCTLKXNQMOV-UHFFFAOYSA-N 2 2 316.489 3.732 20 0 DHADLP CC(C)(C)c1csc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000268031655 519080775 /nfs/dbraw/zinc/08/07/75/519080775.db2.gz ZYXVPQSNNWEQIM-UHFFFAOYSA-N 2 2 304.463 3.543 20 0 DHADLP CC(C)C[C@H]([NH3+])c1noc(-c2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000339396922 519371123 /nfs/dbraw/zinc/37/11/23/519371123.db2.gz PSIASHCZFROQIG-INIZCTEOSA-N 2 2 324.384 3.970 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337284164 520328299 /nfs/dbraw/zinc/32/82/99/520328299.db2.gz JJHDPBCVJXRVPN-MJGOQNOKSA-N 2 2 315.505 3.819 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337284164 520328307 /nfs/dbraw/zinc/32/83/07/520328307.db2.gz JJHDPBCVJXRVPN-MJGOQNOKSA-N 2 2 315.505 3.819 20 0 DHADLP CCO[C@H](CC[NH2+]CCCc1ccc(C)[nH+]c1)C1CCCC1 ZINC000354496146 520511412 /nfs/dbraw/zinc/51/14/12/520511412.db2.gz HAMMZIHRQWQEDU-LJQANCHMSA-N 2 2 304.478 3.898 20 0 DHADLP CCOc1cccc2cc([C@@H](C)[NH2+]CCCn3cc[nH+]c3)oc21 ZINC000181389449 521433951 /nfs/dbraw/zinc/43/39/51/521433951.db2.gz DYUOEYHRPLYCIM-CQSZACIVSA-N 2 2 313.401 3.769 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2c(Cl)ccc3cccnc32)CC1 ZINC000157442849 521565740 /nfs/dbraw/zinc/56/57/40/521565740.db2.gz DIONHVDUZMHJJE-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2c(Cl)ccc3cccnc32)CC1 ZINC000157442849 521565750 /nfs/dbraw/zinc/56/57/50/521565750.db2.gz DIONHVDUZMHJJE-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1cscc1C(F)(F)F ZINC000356307790 521653578 /nfs/dbraw/zinc/65/35/78/521653578.db2.gz SNPSYNCBAUOYHL-UHFFFAOYSA-N 2 2 308.413 3.931 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cscc1C(F)(F)F ZINC000356307790 521653580 /nfs/dbraw/zinc/65/35/80/521653580.db2.gz SNPSYNCBAUOYHL-UHFFFAOYSA-N 2 2 308.413 3.931 20 0 DHADLP COCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)(C)C ZINC000338352135 521975816 /nfs/dbraw/zinc/97/58/16/521975816.db2.gz UVMRTFHXIRNMMT-SFHVURJKSA-N 2 2 315.461 3.722 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+]C[C@@H]3CCSC3)ccc2n1C1CC1 ZINC000338435138 522484271 /nfs/dbraw/zinc/48/42/71/522484271.db2.gz BECGGCRDQMRAHL-AWEZNQCLSA-N 2 2 315.486 3.776 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1cccc(F)c1 ZINC000364154489 522633557 /nfs/dbraw/zinc/63/35/57/522633557.db2.gz FBTOLKKLSVRPOE-WBVHZDCISA-N 2 2 301.409 3.949 20 0 DHADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000361972675 522637275 /nfs/dbraw/zinc/63/72/75/522637275.db2.gz SHXYJNWOSCDMHO-JKSUJKDBSA-N 2 2 312.910 3.818 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(-c2ccsc2)n1 ZINC000124349051 522801593 /nfs/dbraw/zinc/80/15/93/522801593.db2.gz VKYDXRCYMKGNML-UHFFFAOYSA-N 2 2 318.471 3.590 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(-c2ccsc2)n1 ZINC000124349051 522801606 /nfs/dbraw/zinc/80/16/06/522801606.db2.gz VKYDXRCYMKGNML-UHFFFAOYSA-N 2 2 318.471 3.590 20 0 DHADLP C[N@H+](CCOCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000154564252 522900521 /nfs/dbraw/zinc/90/05/21/522900521.db2.gz ZAKAODUWVKRGEI-UHFFFAOYSA-N 2 2 321.424 3.521 20 0 DHADLP C[N@@H+](CCOCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000154564252 522900532 /nfs/dbraw/zinc/90/05/32/522900532.db2.gz ZAKAODUWVKRGEI-UHFFFAOYSA-N 2 2 321.424 3.521 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2cccnc2)c1 ZINC000366295284 524472412 /nfs/dbraw/zinc/47/24/12/524472412.db2.gz KCQUNNDEJUKUJP-JRGCBEDISA-N 2 2 323.484 3.860 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2cccnc2)c1 ZINC000366295284 524472422 /nfs/dbraw/zinc/47/24/22/524472422.db2.gz KCQUNNDEJUKUJP-JRGCBEDISA-N 2 2 323.484 3.860 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)[NH+]1CCC(C)CC1 ZINC000337344843 524502419 /nfs/dbraw/zinc/50/24/19/524502419.db2.gz UNCAZVMBOVLCAS-GGPKGHCWSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000337988456 524520769 /nfs/dbraw/zinc/52/07/69/524520769.db2.gz JBRROOBPNOAUHM-UONOGXRCSA-N 2 2 319.399 3.650 20 0 DHADLP Cc1cc(C[NH+](C)C)cc(N[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000128821639 524659515 /nfs/dbraw/zinc/65/95/15/524659515.db2.gz MXXXLRFGKRSVJF-LJQANCHMSA-N 2 2 320.440 3.981 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000221996847 524794131 /nfs/dbraw/zinc/79/41/31/524794131.db2.gz PBQSGMBHEGKEQS-RKDXNWHRSA-N 2 2 304.246 3.991 20 0 DHADLP CSC1(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)CCC1 ZINC000365667077 525310791 /nfs/dbraw/zinc/31/07/91/525310791.db2.gz VGCOUCZEKFYASG-OAHLLOKOSA-N 2 2 307.507 3.929 20 0 DHADLP CSC1(C[N@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)CCC1 ZINC000365667077 525310800 /nfs/dbraw/zinc/31/08/00/525310800.db2.gz VGCOUCZEKFYASG-OAHLLOKOSA-N 2 2 307.507 3.929 20 0 DHADLP Cc1cc(OCCC[C@@H](C)[NH2+]CCn2cc[nH+]c2)ccc1Cl ZINC000338005175 525368889 /nfs/dbraw/zinc/36/88/89/525368889.db2.gz WNROYMZZVBYGKO-OAHLLOKOSA-N 2 2 321.852 3.682 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1C[C@@H]1c1cccs1 ZINC000367439633 525437211 /nfs/dbraw/zinc/43/72/11/525437211.db2.gz VZHLSRMKRMMSGN-IMJJTQAJSA-N 2 2 324.453 3.611 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccncc1F ZINC000338031473 525603238 /nfs/dbraw/zinc/60/32/38/525603238.db2.gz UMRHVXBXFUNFEZ-UONOGXRCSA-N 2 2 310.376 3.818 20 0 DHADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)CCC[N@@H+]1C ZINC000338012339 525709679 /nfs/dbraw/zinc/70/96/79/525709679.db2.gz PYWHZTVGGCXGGF-LYRGGWFBSA-N 2 2 323.278 3.509 20 0 DHADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)CCC[N@H+]1C ZINC000338012339 525709684 /nfs/dbraw/zinc/70/96/84/525709684.db2.gz PYWHZTVGGCXGGF-LYRGGWFBSA-N 2 2 323.278 3.509 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)[C@@H](C)C2 ZINC000180086796 526190962 /nfs/dbraw/zinc/19/09/62/526190962.db2.gz FBHUWWVOLXSBIY-KXBFYZLASA-N 2 2 318.424 3.599 20 0 DHADLP Cc1ccc2cc(C[NH2+]CCCNc3cccc[nH+]3)ccc2n1 ZINC000189375313 526231209 /nfs/dbraw/zinc/23/12/09/526231209.db2.gz ZGNVMLFZRIUVJQ-UHFFFAOYSA-N 2 2 306.413 3.530 20 0 DHADLP Cc1ccc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc2n1 ZINC000189827278 526231373 /nfs/dbraw/zinc/23/13/73/526231373.db2.gz QDLVTYLESCQTTM-UHFFFAOYSA-N 2 2 306.413 3.577 20 0 DHADLP FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000337987953 526285624 /nfs/dbraw/zinc/28/56/24/526285624.db2.gz HQQMHXOIIOZCBW-APWZRJJASA-N 2 2 315.436 3.939 20 0 DHADLP c1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000162819367 526490703 /nfs/dbraw/zinc/49/07/03/526490703.db2.gz NPKOLJQGBDVMQI-VQTJNVASSA-N 2 2 321.468 3.976 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](Nc4ccccc4)C3)cc2)c[nH+]1 ZINC000102845405 526522830 /nfs/dbraw/zinc/52/28/30/526522830.db2.gz CMBAUPYNKJVYPU-IBGZPJMESA-N 2 2 318.424 3.559 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](Nc4ccccc4)C3)cc2)c[nH+]1 ZINC000102845405 526522839 /nfs/dbraw/zinc/52/28/39/526522839.db2.gz CMBAUPYNKJVYPU-IBGZPJMESA-N 2 2 318.424 3.559 20 0 DHADLP c1cn(-c2csc(C[NH2+]Cc3coc4ccccc34)c2)c[nH+]1 ZINC000339407940 526527117 /nfs/dbraw/zinc/52/71/17/526527117.db2.gz RGERTQUDTNNEGS-UHFFFAOYSA-N 2 2 309.394 3.970 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)s1 ZINC000336855230 526859931 /nfs/dbraw/zinc/85/99/31/526859931.db2.gz HGICFUGNVKDVSO-QGZVFWFLSA-N 2 2 321.534 3.704 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)s1 ZINC000336855230 526859935 /nfs/dbraw/zinc/85/99/35/526859935.db2.gz HGICFUGNVKDVSO-QGZVFWFLSA-N 2 2 321.534 3.704 20 0 DHADLP Cc1nc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC000336856653 526860029 /nfs/dbraw/zinc/86/00/29/526860029.db2.gz NKMSWLIQTIFMEV-YOEHRIQHSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC000336856653 526860034 /nfs/dbraw/zinc/86/00/34/526860034.db2.gz NKMSWLIQTIFMEV-YOEHRIQHSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC000336856653 526860040 /nfs/dbraw/zinc/86/00/40/526860040.db2.gz NKMSWLIQTIFMEV-YOEHRIQHSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC000336856653 526860046 /nfs/dbraw/zinc/86/00/46/526860046.db2.gz NKMSWLIQTIFMEV-YOEHRIQHSA-N 2 2 321.534 3.846 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000180158095 527665474 /nfs/dbraw/zinc/66/54/74/527665474.db2.gz OOJFDANYOMHWMD-AWEZNQCLSA-N 2 2 316.367 3.663 20 0 DHADLP FC(F)O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337281171 527694664 /nfs/dbraw/zinc/69/46/64/527694664.db2.gz HRDBBJHFPQHIGN-JKSUJKDBSA-N 2 2 321.371 3.512 20 0 DHADLP CC[N@H+](Cc1csc(C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289473954 535388777 /nfs/dbraw/zinc/38/87/77/535388777.db2.gz PUSCCWGMDNNYCF-UHFFFAOYSA-N 2 2 303.475 3.535 20 0 DHADLP CC[N@@H+](Cc1csc(C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289473954 535388783 /nfs/dbraw/zinc/38/87/83/535388783.db2.gz PUSCCWGMDNNYCF-UHFFFAOYSA-N 2 2 303.475 3.535 20 0 DHADLP CCc1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340257619 536054257 /nfs/dbraw/zinc/05/42/57/536054257.db2.gz YWZAXQXDOHGSLW-DOTOQJQBSA-N 2 2 315.486 3.631 20 0 DHADLP CCc1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340257619 536054262 /nfs/dbraw/zinc/05/42/62/536054262.db2.gz YWZAXQXDOHGSLW-DOTOQJQBSA-N 2 2 315.486 3.631 20 0 DHADLP COCCc1cc[nH+]c(N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000287314133 536831889 /nfs/dbraw/zinc/83/18/89/536831889.db2.gz FEDBOFSJOXXAJM-HNNXBMFYSA-N 2 2 322.412 3.629 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000038098225 1013340816 /nfs/dbraw/zinc/34/08/16/1013340816.db2.gz DNLWNBYSWKSABG-HNNXBMFYSA-N 2 2 300.368 3.754 20 0 DHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894622274 1013435155 /nfs/dbraw/zinc/43/51/55/1013435155.db2.gz GGQKXVZTNMQRFH-QGZVFWFLSA-N 2 2 312.379 3.681 20 0 DHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894622274 1013435164 /nfs/dbraw/zinc/43/51/64/1013435164.db2.gz GGQKXVZTNMQRFH-QGZVFWFLSA-N 2 2 312.379 3.681 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894622274 1013435169 /nfs/dbraw/zinc/43/51/69/1013435169.db2.gz GGQKXVZTNMQRFH-QGZVFWFLSA-N 2 2 312.379 3.681 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C(F)F)c(F)c3)C2)C1 ZINC000894622274 1013435174 /nfs/dbraw/zinc/43/51/74/1013435174.db2.gz GGQKXVZTNMQRFH-QGZVFWFLSA-N 2 2 312.379 3.681 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3csc(C)n3)o2)[C@H](C)C1 ZINC000164415566 1013523496 /nfs/dbraw/zinc/52/34/96/1013523496.db2.gz FXMSOHBCLVWWST-IUODEOHRSA-N 2 2 319.474 3.531 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3csc(C)n3)o2)[C@H](C)C1 ZINC000164415566 1013523500 /nfs/dbraw/zinc/52/35/00/1013523500.db2.gz FXMSOHBCLVWWST-IUODEOHRSA-N 2 2 319.474 3.531 20 0 DHADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCSc1cc(Cl)ccc1Cl ZINC000124632830 1013543500 /nfs/dbraw/zinc/54/35/00/1013543500.db2.gz STYKITXNPYKWHA-ZYHUDNBSSA-N 2 2 319.301 3.897 20 0 DHADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCSc1cc(Cl)ccc1Cl ZINC000124632830 1013543505 /nfs/dbraw/zinc/54/35/05/1013543505.db2.gz STYKITXNPYKWHA-ZYHUDNBSSA-N 2 2 319.301 3.897 20 0 DHADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCSc1cc(Cl)ccc1Cl ZINC000124633358 1013544175 /nfs/dbraw/zinc/54/41/75/1013544175.db2.gz STYKITXNPYKWHA-JQWIXIFHSA-N 2 2 319.301 3.897 20 0 DHADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCSc1cc(Cl)ccc1Cl ZINC000124633358 1013544194 /nfs/dbraw/zinc/54/41/94/1013544194.db2.gz STYKITXNPYKWHA-JQWIXIFHSA-N 2 2 319.301 3.897 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1CCC(C3CCCCC3)CC1)CC2 ZINC000683471581 1013572038 /nfs/dbraw/zinc/57/20/38/1013572038.db2.gz WKGNUEOWVWMXPR-ABHNRTSZSA-N 2 2 301.478 3.927 20 0 DHADLP Cc1cccc2c1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000729480060 1013582858 /nfs/dbraw/zinc/58/28/58/1013582858.db2.gz WELRUVKFQQQOES-UHFFFAOYSA-N 2 2 303.409 3.739 20 0 DHADLP Cc1cccc2c1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000729480060 1013582866 /nfs/dbraw/zinc/58/28/66/1013582866.db2.gz WELRUVKFQQQOES-UHFFFAOYSA-N 2 2 303.409 3.739 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655689221 1013640306 /nfs/dbraw/zinc/64/03/06/1013640306.db2.gz YYHDCYPDELMLBX-ROUUACIJSA-N 2 2 322.880 3.634 20 0 DHADLP CC(C)C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccs1 ZINC000655701965 1013654727 /nfs/dbraw/zinc/65/47/27/1013654727.db2.gz YCGNQPQZMZSBFU-IAGOWNOFSA-N 2 2 322.518 3.678 20 0 DHADLP C1C[C@@H]([NH+]2CCC([NH2+]C3CCC4(CCCCC4)CC3)CC2)CO1 ZINC000655758691 1013693375 /nfs/dbraw/zinc/69/33/75/1013693375.db2.gz XCRGQOMJFFQQPD-LJQANCHMSA-N 2 2 320.521 3.722 20 0 DHADLP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000655832431 1013748623 /nfs/dbraw/zinc/74/86/23/1013748623.db2.gz XAZAWNXEJNUDJG-PXNSSMCTSA-N 2 2 323.484 3.655 20 0 DHADLP C[C@@H](Cc1ccccn1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000655832431 1013748629 /nfs/dbraw/zinc/74/86/29/1013748629.db2.gz XAZAWNXEJNUDJG-PXNSSMCTSA-N 2 2 323.484 3.655 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000655837684 1013759854 /nfs/dbraw/zinc/75/98/54/1013759854.db2.gz HFKHBTDXVCFMJY-JKSUJKDBSA-N 2 2 306.413 3.549 20 0 DHADLP CN(c1ccc([NH2+]C[C@H]2CC=CCC2)cc1)C1CC[NH+](C)CC1 ZINC000237162546 1013791738 /nfs/dbraw/zinc/79/17/38/1013791738.db2.gz QYMACZYRFSKXQN-KRWDZBQOSA-N 2 2 313.489 3.985 20 0 DHADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000155712572 1014100208 /nfs/dbraw/zinc/10/02/08/1014100208.db2.gz HSGAHQWBJSXTIL-QGZVFWFLSA-N 2 2 311.454 3.827 20 0 DHADLP CCc1onc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001167424154 1014255840 /nfs/dbraw/zinc/25/58/40/1014255840.db2.gz CHIWBTFZMWTQFS-WBVHZDCISA-N 2 2 319.493 3.632 20 0 DHADLP CCc1onc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001167424154 1014255847 /nfs/dbraw/zinc/25/58/47/1014255847.db2.gz CHIWBTFZMWTQFS-WBVHZDCISA-N 2 2 319.493 3.632 20 0 DHADLP CCc1onc(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001167424154 1014255855 /nfs/dbraw/zinc/25/58/55/1014255855.db2.gz CHIWBTFZMWTQFS-WBVHZDCISA-N 2 2 319.493 3.632 20 0 DHADLP CCc1onc(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001167424154 1014255860 /nfs/dbraw/zinc/25/58/60/1014255860.db2.gz CHIWBTFZMWTQFS-WBVHZDCISA-N 2 2 319.493 3.632 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000580639828 1014264755 /nfs/dbraw/zinc/26/47/55/1014264755.db2.gz OMBYVAOQXVTNDT-QRVBRYPASA-N 2 2 309.457 3.706 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261587447 1014313575 /nfs/dbraw/zinc/31/35/75/1014313575.db2.gz JKQMPFITILZOLX-FVQBIDKESA-N 2 2 323.278 3.584 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261587447 1014313585 /nfs/dbraw/zinc/31/35/85/1014313585.db2.gz JKQMPFITILZOLX-FVQBIDKESA-N 2 2 323.278 3.584 20 0 DHADLP Cc1cccnc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005704 1014407962 /nfs/dbraw/zinc/40/79/62/1014407962.db2.gz KDXJCIHJKOETCA-OPVJXMOQSA-N 2 2 323.484 3.921 20 0 DHADLP Cc1cccnc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168005704 1014407967 /nfs/dbraw/zinc/40/79/67/1014407967.db2.gz KDXJCIHJKOETCA-OPVJXMOQSA-N 2 2 323.484 3.921 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc3[nH]ccc3c2)c2cccc[nH+]2)CC1 ZINC000895111806 1014442802 /nfs/dbraw/zinc/44/28/02/1014442802.db2.gz KLJBTRGDUMRKNB-IYARVYRRSA-N 2 2 320.440 3.839 20 0 DHADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCc1c(Cl)cccc1Cl ZINC000576766530 1014540594 /nfs/dbraw/zinc/54/05/94/1014540594.db2.gz YUOPPHLQHXLVCN-VXGBXAGGSA-N 2 2 301.261 3.738 20 0 DHADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1c(Cl)cccc1Cl ZINC000576766530 1014540596 /nfs/dbraw/zinc/54/05/96/1014540596.db2.gz YUOPPHLQHXLVCN-VXGBXAGGSA-N 2 2 301.261 3.738 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(Oc2ccccc2)cn1 ZINC000665246673 1014541817 /nfs/dbraw/zinc/54/18/17/1014541817.db2.gz LAZFRRQEDJAVFL-HNNXBMFYSA-N 2 2 311.429 3.796 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1F ZINC000427895937 1014544956 /nfs/dbraw/zinc/54/49/56/1014544956.db2.gz UKISMHIFPYIRNA-RISCZKNCSA-N 2 2 307.800 3.731 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)ccc2c1 ZINC000427886257 1014546115 /nfs/dbraw/zinc/54/61/15/1014546115.db2.gz OPSQIUTXJQTTTK-KDOFPFPSSA-N 2 2 321.424 3.711 20 0 DHADLP Cc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427884057 1014547062 /nfs/dbraw/zinc/54/70/62/1014547062.db2.gz RZWHVEQUGAZUJD-FPOVZHCZSA-N 2 2 317.436 3.886 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000581098611 1014558952 /nfs/dbraw/zinc/55/89/52/1014558952.db2.gz HJCUEIGRBDOHDI-APHBUQMISA-N 2 2 308.416 3.642 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000581098611 1014558962 /nfs/dbraw/zinc/55/89/62/1014558962.db2.gz HJCUEIGRBDOHDI-APHBUQMISA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000581098611 1014558970 /nfs/dbraw/zinc/55/89/70/1014558970.db2.gz HJCUEIGRBDOHDI-APHBUQMISA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000581098611 1014558977 /nfs/dbraw/zinc/55/89/77/1014558977.db2.gz HJCUEIGRBDOHDI-APHBUQMISA-N 2 2 308.416 3.642 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC000665250394 1014559568 /nfs/dbraw/zinc/55/95/68/1014559568.db2.gz PPFKZLXVQJDLSW-DJIMGWMZSA-N 2 2 300.471 3.853 20 0 DHADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250409 1014560053 /nfs/dbraw/zinc/56/00/53/1014560053.db2.gz QADPPPKDRAVGHX-DJIMGWMZSA-N 2 2 300.471 3.853 20 0 DHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]CC34CC(C3)C[NH2+]4)cs2)cs1 ZINC000665278151 1014650641 /nfs/dbraw/zinc/65/06/41/1014650641.db2.gz WFISVALSWVTRSW-WCVRRQIGSA-N 2 2 319.499 3.583 20 0 DHADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000665296791 1014746999 /nfs/dbraw/zinc/74/69/99/1014746999.db2.gz XTPDVYQBKSPQKS-WDEREUQCSA-N 2 2 306.397 3.600 20 0 DHADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000665296788 1014747158 /nfs/dbraw/zinc/74/71/58/1014747158.db2.gz XTPDVYQBKSPQKS-GHMZBOCLSA-N 2 2 306.397 3.600 20 0 DHADLP Cc1ccc([C@@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347672425 1014772259 /nfs/dbraw/zinc/77/22/59/1014772259.db2.gz LUGDJGNPAWNKIO-KRWDZBQOSA-N 2 2 315.486 3.850 20 0 DHADLP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347672425 1014772269 /nfs/dbraw/zinc/77/22/69/1014772269.db2.gz LUGDJGNPAWNKIO-KRWDZBQOSA-N 2 2 315.486 3.850 20 0 DHADLP Clc1c2ccccc2sc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261745730 1014854164 /nfs/dbraw/zinc/85/41/64/1014854164.db2.gz MLJNEEZZGONWRE-WCQYABFASA-N 2 2 306.862 3.739 20 0 DHADLP Clc1c2ccccc2sc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261745730 1014854179 /nfs/dbraw/zinc/85/41/79/1014854179.db2.gz MLJNEEZZGONWRE-WCQYABFASA-N 2 2 306.862 3.739 20 0 DHADLP Cc1cnccc1C[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000581469174 1014878791 /nfs/dbraw/zinc/87/87/91/1014878791.db2.gz GJPNWFPWZUKOMF-OAQYLSRUSA-N 2 2 323.484 3.563 20 0 DHADLP Cc1cnccc1C[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000581469174 1014878804 /nfs/dbraw/zinc/87/88/04/1014878804.db2.gz GJPNWFPWZUKOMF-OAQYLSRUSA-N 2 2 323.484 3.563 20 0 DHADLP C[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)c1cncnc1 ZINC001168016988 1014916909 /nfs/dbraw/zinc/91/69/09/1014916909.db2.gz WPCHZGCBAXHLBB-ULQDDVLXSA-N 2 2 324.472 3.569 20 0 DHADLP COc1ccsc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349424176 1014924292 /nfs/dbraw/zinc/92/42/92/1014924292.db2.gz ZUVMVDDGKNMHLX-UHFFFAOYSA-N 2 2 319.474 3.646 20 0 DHADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000581554669 1014992047 /nfs/dbraw/zinc/99/20/47/1014992047.db2.gz TUUVKUIBVJUDEL-HIFRSBDPSA-N 2 2 315.848 3.951 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000684376947 1015205437 /nfs/dbraw/zinc/20/54/37/1015205437.db2.gz NDMQYXDFPZSAKY-GLJUWKHASA-N 2 2 306.881 3.906 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000684376947 1015205447 /nfs/dbraw/zinc/20/54/47/1015205447.db2.gz NDMQYXDFPZSAKY-GLJUWKHASA-N 2 2 306.881 3.906 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000684376941 1015206393 /nfs/dbraw/zinc/20/63/93/1015206393.db2.gz NDMQYXDFPZSAKY-DEYYWGMASA-N 2 2 306.881 3.906 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000684376941 1015206399 /nfs/dbraw/zinc/20/63/99/1015206399.db2.gz NDMQYXDFPZSAKY-DEYYWGMASA-N 2 2 306.881 3.906 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000317647936 1015208708 /nfs/dbraw/zinc/20/87/08/1015208708.db2.gz XXQZDSVRVSBIIU-IRXDYDNUSA-N 2 2 301.409 3.714 20 0 DHADLP C(C[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1)C1CCCC1 ZINC001279512443 1015236140 /nfs/dbraw/zinc/23/61/40/1015236140.db2.gz OHRDLIBSFHUOOG-HXUWFJFHSA-N 2 2 320.521 3.676 20 0 DHADLP C(C[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1)C1CCCC1 ZINC001279512443 1015236145 /nfs/dbraw/zinc/23/61/45/1015236145.db2.gz OHRDLIBSFHUOOG-HXUWFJFHSA-N 2 2 320.521 3.676 20 0 DHADLP C(C[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2)C1CCCC1 ZINC001279512443 1015236151 /nfs/dbraw/zinc/23/61/51/1015236151.db2.gz OHRDLIBSFHUOOG-HXUWFJFHSA-N 2 2 320.521 3.676 20 0 DHADLP C(C[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2)C1CCCC1 ZINC001279512443 1015236157 /nfs/dbraw/zinc/23/61/57/1015236157.db2.gz OHRDLIBSFHUOOG-HXUWFJFHSA-N 2 2 320.521 3.676 20 0 DHADLP COc1cccc2cc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)oc21 ZINC000895672041 1015254243 /nfs/dbraw/zinc/25/42/43/1015254243.db2.gz URXFVGRJRFCTDE-UHFFFAOYSA-N 2 2 314.429 3.502 20 0 DHADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000895669861 1015253902 /nfs/dbraw/zinc/25/39/02/1015253902.db2.gz DNBAJSORTKLPGT-UHFFFAOYSA-N 2 2 314.473 3.536 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CS1 ZINC000895705982 1015264981 /nfs/dbraw/zinc/26/49/81/1015264981.db2.gz GRKBEDPMEJVUIN-KSZLIROESA-N 2 2 315.486 3.744 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CS1 ZINC000895705983 1015265601 /nfs/dbraw/zinc/26/56/01/1015265601.db2.gz GRKBEDPMEJVUIN-KURKYZTESA-N 2 2 315.486 3.744 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1C(C)(C)C1(C)C ZINC000474474381 1015386461 /nfs/dbraw/zinc/38/64/61/1015386461.db2.gz RURDYUBMLFHPKJ-AWEZNQCLSA-N 2 2 301.478 3.711 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474483700 1015394934 /nfs/dbraw/zinc/39/49/34/1015394934.db2.gz BRSBAOIVDNFUSY-XDQVBPFNSA-N 2 2 312.910 3.967 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474483700 1015394945 /nfs/dbraw/zinc/39/49/45/1015394945.db2.gz BRSBAOIVDNFUSY-XDQVBPFNSA-N 2 2 312.910 3.967 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000341480549 1015424607 /nfs/dbraw/zinc/42/46/07/1015424607.db2.gz MSQFALLIQSYCHP-LBPRGKRZSA-N 2 2 315.804 3.950 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000361829372 1032116778 /nfs/dbraw/zinc/11/67/78/1032116778.db2.gz HXSMGQSDGVSMHP-GOSISDBHSA-N 2 2 315.486 3.754 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000361829372 1032116786 /nfs/dbraw/zinc/11/67/86/1032116786.db2.gz HXSMGQSDGVSMHP-GOSISDBHSA-N 2 2 315.486 3.754 20 0 DHADLP C[C@@H]1CC([N@@H+]2CCOC(C)(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041832 1015605010 /nfs/dbraw/zinc/60/50/10/1015605010.db2.gz VZGDILUZSHMTFH-IAGOWNOFSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1CC([N@H+]2CCOC(C)(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041832 1015605018 /nfs/dbraw/zinc/60/50/18/1015605018.db2.gz VZGDILUZSHMTFH-IAGOWNOFSA-N 2 2 316.489 3.539 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000361839927 1032122730 /nfs/dbraw/zinc/12/27/30/1032122730.db2.gz NLDTULSELWRWPB-IBGZPJMESA-N 2 2 306.413 3.846 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000361839927 1032122739 /nfs/dbraw/zinc/12/27/39/1032122739.db2.gz NLDTULSELWRWPB-IBGZPJMESA-N 2 2 306.413 3.846 20 0 DHADLP CCC1([NH+](C)C)CC[NH+](C/C=C\c2ccccc2OC)CC1 ZINC000639378129 1015674326 /nfs/dbraw/zinc/67/43/26/1015674326.db2.gz BJVKDKKWIUMMFD-NTMALXAHSA-N 2 2 302.462 3.515 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000346334950 1015833490 /nfs/dbraw/zinc/83/34/90/1015833490.db2.gz XLFZPAREIHPCPI-UHFFFAOYSA-N 2 2 309.413 3.795 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000346334950 1015833501 /nfs/dbraw/zinc/83/35/01/1015833501.db2.gz XLFZPAREIHPCPI-UHFFFAOYSA-N 2 2 309.413 3.795 20 0 DHADLP Fc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1Cl ZINC000535804059 1015835384 /nfs/dbraw/zinc/83/53/84/1015835384.db2.gz NUIQWSCFUJHPIQ-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1Cl ZINC000535804059 1015835390 /nfs/dbraw/zinc/83/53/90/1015835390.db2.gz NUIQWSCFUJHPIQ-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000535804059 1015835397 /nfs/dbraw/zinc/83/53/97/1015835397.db2.gz NUIQWSCFUJHPIQ-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000535804059 1015835405 /nfs/dbraw/zinc/83/54/05/1015835405.db2.gz NUIQWSCFUJHPIQ-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCn1cc[nH+]c1 ZINC000342083428 1015953807 /nfs/dbraw/zinc/95/38/07/1015953807.db2.gz LZSZLBJBBTZDIV-LCYFTJDESA-N 2 2 309.335 3.595 20 0 DHADLP CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000150982234 1016002765 /nfs/dbraw/zinc/00/27/65/1016002765.db2.gz FOYCENYVSUIZIC-HUUCEWRRSA-N 2 2 315.486 3.969 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1oc3ccccc3c1C)C2 ZINC000150974897 1016003560 /nfs/dbraw/zinc/00/35/60/1016003560.db2.gz JHJLPMFJWWKTTH-HUUCEWRRSA-N 2 2 309.413 3.912 20 0 DHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000403690984 1016199025 /nfs/dbraw/zinc/19/90/25/1016199025.db2.gz LYYMILPEHACSOJ-ZVRJUHEZSA-N 2 2 313.470 3.950 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](c3ccccc3)[C@@H]1C)CCC2 ZINC000361896129 1032146620 /nfs/dbraw/zinc/14/66/20/1032146620.db2.gz FSPDOXGAUOXPRN-DSLXNQLJSA-N 2 2 309.457 3.851 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000347010121 1016686812 /nfs/dbraw/zinc/68/68/12/1016686812.db2.gz FZALCEINQWIVCE-OCCSQVGLSA-N 2 2 319.449 3.508 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000347010121 1016686819 /nfs/dbraw/zinc/68/68/19/1016686819.db2.gz FZALCEINQWIVCE-OCCSQVGLSA-N 2 2 319.449 3.508 20 0 DHADLP C[N@H+](Cc1c(Cl)ccc2cccnc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347039325 1016693641 /nfs/dbraw/zinc/69/36/41/1016693641.db2.gz GUZICTYQKQDNCU-YIONKMFJSA-N 2 2 315.848 3.603 20 0 DHADLP C[N@@H+](Cc1c(Cl)ccc2cccnc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347039325 1016693645 /nfs/dbraw/zinc/69/36/45/1016693645.db2.gz GUZICTYQKQDNCU-YIONKMFJSA-N 2 2 315.848 3.603 20 0 DHADLP C[N@H+](Cc1cnc(-c2cccs2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347022986 1016695158 /nfs/dbraw/zinc/69/51/58/1016695158.db2.gz OYRCAONWODHKMC-FUNVUKJBSA-N 2 2 319.499 3.586 20 0 DHADLP C[N@@H+](Cc1cnc(-c2cccs2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347022986 1016695166 /nfs/dbraw/zinc/69/51/66/1016695166.db2.gz OYRCAONWODHKMC-FUNVUKJBSA-N 2 2 319.499 3.586 20 0 DHADLP FC(F)(F)C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000337608056 1016757153 /nfs/dbraw/zinc/75/71/53/1016757153.db2.gz WEFARXIONLWMQX-XHSDSOJGSA-N 2 2 312.379 3.897 20 0 DHADLP FC(F)(F)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000337608056 1016757168 /nfs/dbraw/zinc/75/71/68/1016757168.db2.gz WEFARXIONLWMQX-XHSDSOJGSA-N 2 2 312.379 3.897 20 0 DHADLP c1oc2ccccc2c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000337675714 1016757246 /nfs/dbraw/zinc/75/72/46/1016757246.db2.gz BPDAOLJTZBPTCF-UHFFFAOYSA-N 2 2 307.397 3.586 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000339069616 1016790173 /nfs/dbraw/zinc/79/01/73/1016790173.db2.gz YHNDYKGCUINGMF-DFQSSKMNSA-N 2 2 316.489 3.618 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000339069616 1016790182 /nfs/dbraw/zinc/79/01/82/1016790182.db2.gz YHNDYKGCUINGMF-DFQSSKMNSA-N 2 2 316.489 3.618 20 0 DHADLP FC(F)C1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000281929852 1016807532 /nfs/dbraw/zinc/80/75/32/1016807532.db2.gz KIBZOFGVDNRDBE-UHFFFAOYSA-N 2 2 319.399 3.845 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000158407999 1016838568 /nfs/dbraw/zinc/83/85/68/1016838568.db2.gz LPUNEVGPOQOVJN-HXUWFJFHSA-N 2 2 319.408 3.658 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000671295964 1016869602 /nfs/dbraw/zinc/86/96/02/1016869602.db2.gz SGJJWAIVGVJFPZ-KCXAZCMYSA-N 2 2 314.395 3.881 20 0 DHADLP CC(C)C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccn1 ZINC000152740447 1016978499 /nfs/dbraw/zinc/97/84/99/1016978499.db2.gz QMFBJRZPICWDPQ-GOSISDBHSA-N 2 2 312.461 3.534 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)[C@H](c1ccccc1)c1ccccn1 ZINC000119946783 1016984842 /nfs/dbraw/zinc/98/48/42/1016984842.db2.gz VXGZRQDRPVMYMQ-HXUWFJFHSA-N 2 2 309.457 3.589 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)[C@H](c1ccccc1)c1ccccn1 ZINC000119946783 1016984858 /nfs/dbraw/zinc/98/48/58/1016984858.db2.gz VXGZRQDRPVMYMQ-HXUWFJFHSA-N 2 2 309.457 3.589 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1cccs1 ZINC000152827815 1017022260 /nfs/dbraw/zinc/02/22/60/1017022260.db2.gz QKBKFGMBFKUHNJ-HNNXBMFYSA-N 2 2 315.486 3.501 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cccc2n[nH]cc21)c1ccccc1 ZINC000623418917 1017035851 /nfs/dbraw/zinc/03/58/51/1017035851.db2.gz LDJKPKKVRSESIK-HNNXBMFYSA-N 2 2 322.456 3.782 20 0 DHADLP C[C@H](C[NH2+]Cc1cccc(OC2CCCC2)c1)Cn1cc[nH+]c1 ZINC000067500436 1017065186 /nfs/dbraw/zinc/06/51/86/1017065186.db2.gz VEBFALJYTUYKAJ-MRXNPFEDSA-N 2 2 313.445 3.630 20 0 DHADLP C[C@H](C[NH2+]Cc1ccccc1OC1CCCC1)Cn1cc[nH+]c1 ZINC000067500378 1017065280 /nfs/dbraw/zinc/06/52/80/1017065280.db2.gz NNMCBRSLMAGIJZ-MRXNPFEDSA-N 2 2 313.445 3.630 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCC(F)(F)CC1 ZINC000475194201 1017066678 /nfs/dbraw/zinc/06/66/78/1017066678.db2.gz KWIGUVYERUSFNE-CZUORRHYSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCC(F)(F)CC1 ZINC000475194201 1017066692 /nfs/dbraw/zinc/06/66/92/1017066692.db2.gz KWIGUVYERUSFNE-CZUORRHYSA-N 2 2 300.437 3.807 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623470807 1032217223 /nfs/dbraw/zinc/21/72/23/1032217223.db2.gz CJEMZMUOYLGPMF-OAHLLOKOSA-N 2 2 310.869 3.701 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623470807 1032217233 /nfs/dbraw/zinc/21/72/33/1032217233.db2.gz CJEMZMUOYLGPMF-OAHLLOKOSA-N 2 2 310.869 3.701 20 0 DHADLP COc1cccc2cc([C@H](C)[NH2+]C3CC[NH+](C4CC4)CC3)oc21 ZINC000192838000 1017072564 /nfs/dbraw/zinc/07/25/64/1017072564.db2.gz JQSJYUHQVKROPT-ZDUSSCGKSA-N 2 2 314.429 3.719 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000057994228 1032323330 /nfs/dbraw/zinc/32/33/30/1032323330.db2.gz WQXXKADUKCNRJK-LBPRGKRZSA-N 2 2 301.261 3.815 20 0 DHADLP C[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@H]1CCCC[NH2+]C1 ZINC001247016854 1032361030 /nfs/dbraw/zinc/36/10/30/1032361030.db2.gz PVHWPDBOPMQRQG-WFASDCNBSA-N 2 2 311.267 3.584 20 0 DHADLP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@H]1CCCC[NH2+]C1 ZINC001247016854 1032361035 /nfs/dbraw/zinc/36/10/35/1032361035.db2.gz PVHWPDBOPMQRQG-WFASDCNBSA-N 2 2 311.267 3.584 20 0 DHADLP c1coc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000092043773 1032473121 /nfs/dbraw/zinc/47/31/21/1032473121.db2.gz PJFVUULDQSPXHT-ICSRJNTNSA-N 2 2 310.441 3.766 20 0 DHADLP c1coc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000092043773 1032473123 /nfs/dbraw/zinc/47/31/23/1032473123.db2.gz PJFVUULDQSPXHT-ICSRJNTNSA-N 2 2 310.441 3.766 20 0 DHADLP c1coc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000092043773 1032473129 /nfs/dbraw/zinc/47/31/29/1032473129.db2.gz PJFVUULDQSPXHT-ICSRJNTNSA-N 2 2 310.441 3.766 20 0 DHADLP c1coc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000092043773 1032473135 /nfs/dbraw/zinc/47/31/35/1032473135.db2.gz PJFVUULDQSPXHT-ICSRJNTNSA-N 2 2 310.441 3.766 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1C(F)(F)F ZINC000348188689 1032496658 /nfs/dbraw/zinc/49/66/58/1032496658.db2.gz UGFFNNZFYJYBHK-RYUDHWBXSA-N 2 2 309.335 3.568 20 0 DHADLP c1cn(C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)c[nH+]1 ZINC000092648774 1032505497 /nfs/dbraw/zinc/50/54/97/1032505497.db2.gz AUFRFVRUBMREIY-UHFFFAOYSA-N 2 2 318.424 3.782 20 0 DHADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683741 1032550658 /nfs/dbraw/zinc/55/06/58/1032550658.db2.gz QDSCPPUUAWEJCO-OAHLLOKOSA-N 2 2 321.534 3.748 20 0 DHADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683741 1032550661 /nfs/dbraw/zinc/55/06/61/1032550661.db2.gz QDSCPPUUAWEJCO-OAHLLOKOSA-N 2 2 321.534 3.748 20 0 DHADLP Cc1ccc(C(C)(C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000353188902 1011895415 /nfs/dbraw/zinc/89/54/15/1011895415.db2.gz PMPZORYUNDSWRD-UHFFFAOYSA-N 2 2 312.442 3.662 20 0 DHADLP Cc1cc(F)c(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(F)c1 ZINC000424142157 1011917887 /nfs/dbraw/zinc/91/78/87/1011917887.db2.gz HYSZVROLXJRGOG-UHFFFAOYSA-N 2 2 322.374 3.764 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000424257473 1011949526 /nfs/dbraw/zinc/94/95/26/1011949526.db2.gz KLHXRXIBOVTSAL-LBPRGKRZSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000424299535 1011962837 /nfs/dbraw/zinc/96/28/37/1011962837.db2.gz JFYYCNSFTDOSQJ-CYBMUJFWSA-N 2 2 310.869 3.872 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000424270115 1011966948 /nfs/dbraw/zinc/96/69/48/1011966948.db2.gz QBKLEYKMGVYQER-BFHYXJOUSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000424270115 1011966960 /nfs/dbraw/zinc/96/69/60/1011966960.db2.gz QBKLEYKMGVYQER-BFHYXJOUSA-N 2 2 308.853 3.626 20 0 DHADLP [NH3+]C[C@@H](C[N@@H+]1CCCC[C@@H]1c1nccs1)c1ccc(F)cc1 ZINC000424307932 1011988310 /nfs/dbraw/zinc/98/83/10/1011988310.db2.gz YRXZMFSAVPIXTF-GOEBONIOSA-N 2 2 319.449 3.552 20 0 DHADLP [NH3+]C[C@@H](C[N@H+]1CCCC[C@@H]1c1nccs1)c1ccc(F)cc1 ZINC000424307932 1011988326 /nfs/dbraw/zinc/98/83/26/1011988326.db2.gz YRXZMFSAVPIXTF-GOEBONIOSA-N 2 2 319.449 3.552 20 0 DHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001206767650 1012202804 /nfs/dbraw/zinc/20/28/04/1012202804.db2.gz DCLZTBJQMPMLJA-UWVGGRQHSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001206767650 1012202816 /nfs/dbraw/zinc/20/28/16/1012202816.db2.gz DCLZTBJQMPMLJA-UWVGGRQHSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001206767998 1012225376 /nfs/dbraw/zinc/22/53/76/1012225376.db2.gz GPQGUGNGSVDHIG-UWVGGRQHSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001206767998 1012225395 /nfs/dbraw/zinc/22/53/95/1012225395.db2.gz GPQGUGNGSVDHIG-UWVGGRQHSA-N 2 2 322.321 3.543 20 0 DHADLP Fc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282079854 1012371028 /nfs/dbraw/zinc/37/10/28/1012371028.db2.gz NZEZAXFERMAHGC-MRXNPFEDSA-N 2 2 313.420 3.738 20 0 DHADLP c1cn(CCC[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)c[nH+]1 ZINC000339610172 1012567109 /nfs/dbraw/zinc/56/71/09/1012567109.db2.gz IFMNHNDHKYQOMC-OAQYLSRUSA-N 2 2 317.436 3.921 20 0 DHADLP c1cn(CCC[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)c[nH+]1 ZINC000339610172 1012567123 /nfs/dbraw/zinc/56/71/23/1012567123.db2.gz IFMNHNDHKYQOMC-OAQYLSRUSA-N 2 2 317.436 3.921 20 0 DHADLP COCCC1(C[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CCCCC1 ZINC000436278768 1012708337 /nfs/dbraw/zinc/70/83/37/1012708337.db2.gz DOKKFVZTOHTEAP-GOSISDBHSA-N 2 2 310.526 3.683 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CCS2 ZINC000163782438 1012865238 /nfs/dbraw/zinc/86/52/38/1012865238.db2.gz BOLUYZVNNJETTP-OAHLLOKOSA-N 2 2 317.433 3.849 20 0 DHADLP CCCCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000179835728 1012912823 /nfs/dbraw/zinc/91/28/23/1012912823.db2.gz RHQKSNWVRYEUBO-UHFFFAOYSA-N 2 2 304.478 3.828 20 0 DHADLP Clc1ccccc1CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000342748896 1017165175 /nfs/dbraw/zinc/16/51/75/1017165175.db2.gz IUTYQMISPJMFBZ-OAHLLOKOSA-N 2 2 303.837 3.875 20 0 DHADLP Clc1ccccc1CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000342748896 1017165182 /nfs/dbraw/zinc/16/51/82/1017165182.db2.gz IUTYQMISPJMFBZ-OAHLLOKOSA-N 2 2 303.837 3.875 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657526418 1017177338 /nfs/dbraw/zinc/17/73/38/1017177338.db2.gz GXIUZPFPULIYCW-APEZIOSESA-N 2 2 316.489 3.699 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657526418 1017177344 /nfs/dbraw/zinc/17/73/44/1017177344.db2.gz GXIUZPFPULIYCW-APEZIOSESA-N 2 2 316.489 3.699 20 0 DHADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccc(F)cc2O1 ZINC000119685398 1017640366 /nfs/dbraw/zinc/64/03/66/1017640366.db2.gz NHBQAISJOLUDSU-KRWDZBQOSA-N 2 2 318.436 3.644 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624078082 1017672841 /nfs/dbraw/zinc/67/28/41/1017672841.db2.gz PJTMDQFGLOZPQQ-PXNSSMCTSA-N 2 2 315.505 3.789 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624078082 1017672846 /nfs/dbraw/zinc/67/28/46/1017672846.db2.gz PJTMDQFGLOZPQQ-PXNSSMCTSA-N 2 2 315.505 3.789 20 0 DHADLP CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000181260430 1017737059 /nfs/dbraw/zinc/73/70/59/1017737059.db2.gz DNFBWXCHIGQCDH-QGZVFWFLSA-N 2 2 301.434 3.659 20 0 DHADLP c1coc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccc2)c1 ZINC000183703061 1018036093 /nfs/dbraw/zinc/03/60/93/1018036093.db2.gz JDAAKWQXYDQDLH-IBGZPJMESA-N 2 2 307.397 3.856 20 0 DHADLP Clc1ccsc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000194435935 1018192350 /nfs/dbraw/zinc/19/23/50/1018192350.db2.gz AOUAMKQLPJRRON-IUODEOHRSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccsc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000194435935 1018192354 /nfs/dbraw/zinc/19/23/54/1018192354.db2.gz AOUAMKQLPJRRON-IUODEOHRSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccsc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000194435935 1018192362 /nfs/dbraw/zinc/19/23/62/1018192362.db2.gz AOUAMKQLPJRRON-IUODEOHRSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccsc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000194435935 1018192371 /nfs/dbraw/zinc/19/23/71/1018192371.db2.gz AOUAMKQLPJRRON-IUODEOHRSA-N 2 2 310.894 3.850 20 0 DHADLP COc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000193308505 1018267973 /nfs/dbraw/zinc/26/79/73/1018267973.db2.gz MZOIWWHYYLGFQQ-FQEVSTJZSA-N 2 2 321.424 3.661 20 0 DHADLP Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1F ZINC000447070654 1018327800 /nfs/dbraw/zinc/32/78/00/1018327800.db2.gz XEYGUOULISWAEE-UHFFFAOYSA-N 2 2 314.404 3.881 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H](Cc1ccccc1)C1CCCCC1)CC2 ZINC000427849672 1018338852 /nfs/dbraw/zinc/33/88/52/1018338852.db2.gz FZCOKDLBDIMYOM-WOJBJXKFSA-N 2 2 323.484 3.979 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000525708875 1018357871 /nfs/dbraw/zinc/35/78/71/1018357871.db2.gz NFMZEYVXJRMVBR-ZBFHGGJFSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000525708875 1018357887 /nfs/dbraw/zinc/35/78/87/1018357887.db2.gz NFMZEYVXJRMVBR-ZBFHGGJFSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000447309612 1018365673 /nfs/dbraw/zinc/36/56/73/1018365673.db2.gz PIPDCPFKVRKXLP-INIZCTEOSA-N 2 2 306.881 3.956 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000447309612 1018365685 /nfs/dbraw/zinc/36/56/85/1018365685.db2.gz PIPDCPFKVRKXLP-INIZCTEOSA-N 2 2 306.881 3.956 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000447731056 1018459544 /nfs/dbraw/zinc/45/95/44/1018459544.db2.gz LTFSUDRVSLQHGD-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2c(F)cccc2Cl)C1 ZINC000447731056 1018459551 /nfs/dbraw/zinc/45/95/51/1018459551.db2.gz LTFSUDRVSLQHGD-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447731056 1018459561 /nfs/dbraw/zinc/45/95/61/1018459561.db2.gz LTFSUDRVSLQHGD-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000447731056 1018459568 /nfs/dbraw/zinc/45/95/68/1018459568.db2.gz LTFSUDRVSLQHGD-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001205197683 1018461084 /nfs/dbraw/zinc/46/10/84/1018461084.db2.gz ZYHWTIGEWHFVMQ-FZKQIMNGSA-N 2 2 300.833 3.929 20 0 DHADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001205197683 1018461091 /nfs/dbraw/zinc/46/10/91/1018461091.db2.gz ZYHWTIGEWHFVMQ-FZKQIMNGSA-N 2 2 300.833 3.929 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000447899100 1018500319 /nfs/dbraw/zinc/50/03/19/1018500319.db2.gz QJPOEFPPHGNJLH-RDBSUJKOSA-N 2 2 306.416 3.818 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000447899100 1018500330 /nfs/dbraw/zinc/50/03/30/1018500330.db2.gz QJPOEFPPHGNJLH-RDBSUJKOSA-N 2 2 306.416 3.818 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499249 1018510023 /nfs/dbraw/zinc/51/00/23/1018510023.db2.gz CXQGWOHVDAMRGB-GOSISDBHSA-N 2 2 317.383 3.633 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1nc(C(F)(F)F)cs1 ZINC000635009805 1018511268 /nfs/dbraw/zinc/51/12/68/1018511268.db2.gz HTKKBOYXSNZQLW-ZJUUUORDSA-N 2 2 321.412 3.591 20 0 DHADLP COC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CCCC1 ZINC000527101098 1018514949 /nfs/dbraw/zinc/51/49/49/1018514949.db2.gz ANBIEUKVKIWHPZ-APWZRJJASA-N 2 2 318.505 3.911 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC001168093361 1018562111 /nfs/dbraw/zinc/56/21/11/1018562111.db2.gz VMGXRIMHHUTRRC-MVJPYGJCSA-N 2 2 310.441 3.585 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC001168093363 1018563498 /nfs/dbraw/zinc/56/34/98/1018563498.db2.gz VMGXRIMHHUTRRC-XFWGSAIBSA-N 2 2 310.441 3.585 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3cc(C)ccc32)cn1 ZINC000765252717 1018731102 /nfs/dbraw/zinc/73/11/02/1018731102.db2.gz XLKUYMFVTDGMFV-LJQANCHMSA-N 2 2 318.424 3.661 20 0 DHADLP Cc1c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000765257035 1018738231 /nfs/dbraw/zinc/73/82/31/1018738231.db2.gz GLIGGWCSMCMTTI-INIZCTEOSA-N 2 2 323.444 3.508 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000156255386 1018741213 /nfs/dbraw/zinc/74/12/13/1018741213.db2.gz MFFJCORDGAHLMX-IBGZPJMESA-N 2 2 307.441 3.636 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(C)s1 ZINC000676489894 1018752902 /nfs/dbraw/zinc/75/29/02/1018752902.db2.gz MOCSZGUFPXEKMN-GFCCVEGCSA-N 2 2 304.463 3.698 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccnc(Cl)c1 ZINC000765357740 1018764082 /nfs/dbraw/zinc/76/40/82/1018764082.db2.gz DUKBBAPFAHPQLP-CYBMUJFWSA-N 2 2 312.804 3.772 20 0 DHADLP c1cn([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)c[nH+]1 ZINC000676558018 1018771725 /nfs/dbraw/zinc/77/17/25/1018771725.db2.gz DDVLALAOKWCVSO-MRXNPFEDSA-N 2 2 324.453 3.844 20 0 DHADLP c1cn([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)c[nH+]1 ZINC000676558018 1018771736 /nfs/dbraw/zinc/77/17/36/1018771736.db2.gz DDVLALAOKWCVSO-MRXNPFEDSA-N 2 2 324.453 3.844 20 0 DHADLP C[N@@H+]1CCc2ccc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2C1 ZINC001213091707 1018790809 /nfs/dbraw/zinc/79/08/09/1018790809.db2.gz GYYWDMDYELUUGD-UHFFFAOYSA-N 2 2 304.397 3.808 20 0 DHADLP C[N@H+]1CCc2ccc(Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2C1 ZINC001213091707 1018790822 /nfs/dbraw/zinc/79/08/22/1018790822.db2.gz GYYWDMDYELUUGD-UHFFFAOYSA-N 2 2 304.397 3.808 20 0 DHADLP Clc1ccccc1[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000657818194 1018859379 /nfs/dbraw/zinc/85/93/79/1018859379.db2.gz ACKQGDJSFBFOJG-DOTOQJQBSA-N 2 2 303.837 3.853 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000316803316 1018871433 /nfs/dbraw/zinc/87/14/33/1018871433.db2.gz JBYJHJHZXVUOHN-MLGOLLRUSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000316803316 1018871447 /nfs/dbraw/zinc/87/14/47/1018871447.db2.gz JBYJHJHZXVUOHN-MLGOLLRUSA-N 2 2 319.836 3.554 20 0 DHADLP CC1(C)C[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)O1 ZINC000922952080 1018923946 /nfs/dbraw/zinc/92/39/46/1018923946.db2.gz VJZOXVZCRQJCFU-INIZCTEOSA-N 2 2 313.445 3.556 20 0 DHADLP CC1(C)C[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C(C)(C)O1 ZINC000922952082 1018926182 /nfs/dbraw/zinc/92/61/82/1018926182.db2.gz VJZOXVZCRQJCFU-MRXNPFEDSA-N 2 2 313.445 3.556 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000450863477 1019004898 /nfs/dbraw/zinc/00/48/98/1019004898.db2.gz BMKYNWMCLQSPHT-UHFFFAOYSA-N 2 2 318.461 3.579 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc2cnccc2o1 ZINC000657834716 1019008427 /nfs/dbraw/zinc/00/84/27/1019008427.db2.gz AXUYRELBMBUYBE-CQSZACIVSA-N 2 2 322.412 3.542 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220670 1019029072 /nfs/dbraw/zinc/02/90/72/1019029072.db2.gz PPYGCOLFFZLQHM-LRDDRELGSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220670 1019029088 /nfs/dbraw/zinc/02/90/88/1019029088.db2.gz PPYGCOLFFZLQHM-LRDDRELGSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220670 1019029102 /nfs/dbraw/zinc/02/91/02/1019029102.db2.gz PPYGCOLFFZLQHM-LRDDRELGSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220670 1019029117 /nfs/dbraw/zinc/02/91/17/1019029117.db2.gz PPYGCOLFFZLQHM-LRDDRELGSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1C(C)(C)CC([NH2+]Cc2noc3ccccc32)CC1(C)C ZINC001171625113 1032806360 /nfs/dbraw/zinc/80/63/60/1032806360.db2.gz CHSYXHYRLSIPOJ-UHFFFAOYSA-N 2 2 301.434 3.569 20 0 DHADLP COc1ccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c(F)c1 ZINC001171625996 1032808403 /nfs/dbraw/zinc/80/84/03/1032808403.db2.gz RJEBKCCRLWXEHY-UHFFFAOYSA-N 2 2 308.441 3.575 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)[nH]1 ZINC000080960772 1019134843 /nfs/dbraw/zinc/13/48/43/1019134843.db2.gz POXVSUNYIXKTHQ-HNNXBMFYSA-N 2 2 324.453 3.913 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)[nH]1 ZINC000080960772 1019134846 /nfs/dbraw/zinc/13/48/46/1019134846.db2.gz POXVSUNYIXKTHQ-HNNXBMFYSA-N 2 2 324.453 3.913 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168697715 1019187823 /nfs/dbraw/zinc/18/78/23/1019187823.db2.gz IZLIAKAXEOMAMP-GOEBONIOSA-N 2 2 306.881 3.517 20 0 DHADLP CO[C@@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000338567701 1019207854 /nfs/dbraw/zinc/20/78/54/1019207854.db2.gz AIHFCPJLPIVDPK-UZLBHIALSA-N 2 2 321.424 3.911 20 0 DHADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000858245386 1032815201 /nfs/dbraw/zinc/81/52/01/1032815201.db2.gz RTPAWMBEODLGAG-LBPRGKRZSA-N 2 2 318.433 3.557 20 0 DHADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000858245386 1032815220 /nfs/dbraw/zinc/81/52/20/1032815220.db2.gz RTPAWMBEODLGAG-LBPRGKRZSA-N 2 2 318.433 3.557 20 0 DHADLP Cc1ccc(CC[C@@H](C)[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001171664967 1032818785 /nfs/dbraw/zinc/81/87/85/1032818785.db2.gz ILSRQVIPMRAFMB-UTKZUKDTSA-N 2 2 308.469 3.702 20 0 DHADLP Cc1ccc(CC[C@@H](C)[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001171664967 1032818796 /nfs/dbraw/zinc/81/87/96/1032818796.db2.gz ILSRQVIPMRAFMB-UTKZUKDTSA-N 2 2 308.469 3.702 20 0 DHADLP CC(C)[C@@H](C[NH2+]C1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000075675312 1019322599 /nfs/dbraw/zinc/32/25/99/1019322599.db2.gz BAQGKRGNJBUSTR-LJQANCHMSA-N 2 2 318.530 3.555 20 0 DHADLP CC(C)[C@@H](C[NH2+]C1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000075675312 1019322613 /nfs/dbraw/zinc/32/26/13/1019322613.db2.gz BAQGKRGNJBUSTR-LJQANCHMSA-N 2 2 318.530 3.555 20 0 DHADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000089614250 1019357345 /nfs/dbraw/zinc/35/73/45/1019357345.db2.gz WXQGSPVHRIPNPS-QRWLVFNGSA-N 2 2 307.441 3.574 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)CCO2 ZINC000143044326 1019382827 /nfs/dbraw/zinc/38/28/27/1019382827.db2.gz KGCNKCXJPVZMBT-OAHLLOKOSA-N 2 2 319.408 3.658 20 0 DHADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCSCc2ccccc2)C1 ZINC000611185902 1019409791 /nfs/dbraw/zinc/40/97/91/1019409791.db2.gz CTVLHMPFMNDXNO-GOSISDBHSA-N 2 2 306.519 3.772 20 0 DHADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCSCc2ccccc2)C1 ZINC000611185902 1019409807 /nfs/dbraw/zinc/40/98/07/1019409807.db2.gz CTVLHMPFMNDXNO-GOSISDBHSA-N 2 2 306.519 3.772 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccnc2Cl)C1 ZINC000090585984 1019412189 /nfs/dbraw/zinc/41/21/89/1019412189.db2.gz JWSQMBIMCJTZEZ-LSDHHAIUSA-N 2 2 309.885 3.754 20 0 DHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccnc2Cl)C1 ZINC000090585984 1019412191 /nfs/dbraw/zinc/41/21/91/1019412191.db2.gz JWSQMBIMCJTZEZ-LSDHHAIUSA-N 2 2 309.885 3.754 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)[nH]1 ZINC000092072267 1019499654 /nfs/dbraw/zinc/49/96/54/1019499654.db2.gz XMSMNJPZHZENBL-IBGZPJMESA-N 2 2 318.424 3.851 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)[nH]1 ZINC000092072267 1019499659 /nfs/dbraw/zinc/49/96/59/1019499659.db2.gz XMSMNJPZHZENBL-IBGZPJMESA-N 2 2 318.424 3.851 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000268776506 1019515264 /nfs/dbraw/zinc/51/52/64/1019515264.db2.gz RVPQLCYLXNSXCB-FQEVSTJZSA-N 2 2 321.399 3.848 20 0 DHADLP CCc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000092587628 1019540692 /nfs/dbraw/zinc/54/06/92/1019540692.db2.gz JWJDHLJWUNZTJO-INIZCTEOSA-N 2 2 321.534 3.649 20 0 DHADLP CCc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000092587628 1019540703 /nfs/dbraw/zinc/54/07/03/1019540703.db2.gz JWJDHLJWUNZTJO-INIZCTEOSA-N 2 2 321.534 3.649 20 0 DHADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000092766171 1019546252 /nfs/dbraw/zinc/54/62/52/1019546252.db2.gz ALCIDAZHHJVGOR-JKSUJKDBSA-N 2 2 315.436 3.782 20 0 DHADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(F)cn1 ZINC000092766171 1019546261 /nfs/dbraw/zinc/54/62/61/1019546261.db2.gz ALCIDAZHHJVGOR-JKSUJKDBSA-N 2 2 315.436 3.782 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470357 1019850880 /nfs/dbraw/zinc/85/08/80/1019850880.db2.gz HPOSNENCQVEFIY-DYVFJYSZSA-N 2 2 317.864 3.660 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470357 1019850895 /nfs/dbraw/zinc/85/08/95/1019850895.db2.gz HPOSNENCQVEFIY-DYVFJYSZSA-N 2 2 317.864 3.660 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470357 1019850933 /nfs/dbraw/zinc/85/09/33/1019850933.db2.gz HPOSNENCQVEFIY-DYVFJYSZSA-N 2 2 317.864 3.660 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000685470357 1019850951 /nfs/dbraw/zinc/85/09/51/1019850951.db2.gz HPOSNENCQVEFIY-DYVFJYSZSA-N 2 2 317.864 3.660 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)CCC2 ZINC000658092849 1020137188 /nfs/dbraw/zinc/13/71/88/1020137188.db2.gz RSWLXWMZQRZUSQ-YJBOKZPZSA-N 2 2 302.462 3.535 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)CCC2 ZINC000658092849 1020137197 /nfs/dbraw/zinc/13/71/97/1020137197.db2.gz RSWLXWMZQRZUSQ-YJBOKZPZSA-N 2 2 302.462 3.535 20 0 DHADLP C[C@H]1C[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)C1 ZINC000658128117 1020177323 /nfs/dbraw/zinc/17/73/23/1020177323.db2.gz RXWJXYMSRITNBB-FVQHAEBGSA-N 2 2 301.478 3.712 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@H]3CCSC4(CCC4)C3)cc2)c[nH+]1 ZINC000922842048 1020297744 /nfs/dbraw/zinc/29/77/44/1020297744.db2.gz JWCIZXMOEARNKZ-INIZCTEOSA-N 2 2 313.470 3.780 20 0 DHADLP CCC[C@H](C)CCC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000858432381 1032893869 /nfs/dbraw/zinc/89/38/69/1032893869.db2.gz QWXPCRLMKYOZSQ-SCTDSRPQSA-N 2 2 310.526 3.824 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000361496463 1020364051 /nfs/dbraw/zinc/36/40/51/1020364051.db2.gz LBPGLUFOHMOOKO-LJQANCHMSA-N 2 2 307.372 3.789 20 0 DHADLP C[C@H](CC[NH2+]Cc1[nH]nc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000673811362 1020500717 /nfs/dbraw/zinc/50/07/17/1020500717.db2.gz KXXCTSAZYWOQKJ-MRXNPFEDSA-N 2 2 322.456 3.563 20 0 DHADLP C[C@H](CC[NH2+]Cc1[nH]nc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000673811362 1020500723 /nfs/dbraw/zinc/50/07/23/1020500723.db2.gz KXXCTSAZYWOQKJ-MRXNPFEDSA-N 2 2 322.456 3.563 20 0 DHADLP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480412 1020553024 /nfs/dbraw/zinc/55/30/24/1020553024.db2.gz MSHHVVFOMKREAE-NVXWUHKLSA-N 2 2 319.518 3.765 20 0 DHADLP c1nc(C2CCCC2)sc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480412 1020553030 /nfs/dbraw/zinc/55/30/30/1020553030.db2.gz MSHHVVFOMKREAE-NVXWUHKLSA-N 2 2 319.518 3.765 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281028 1020568473 /nfs/dbraw/zinc/56/84/73/1020568473.db2.gz WEQIGVWUMPIUGH-ZYHUDNBSSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281028 1020568481 /nfs/dbraw/zinc/56/84/81/1020568481.db2.gz WEQIGVWUMPIUGH-ZYHUDNBSSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281028 1020568485 /nfs/dbraw/zinc/56/84/85/1020568485.db2.gz WEQIGVWUMPIUGH-ZYHUDNBSSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281028 1020568490 /nfs/dbraw/zinc/56/84/90/1020568490.db2.gz WEQIGVWUMPIUGH-ZYHUDNBSSA-N 2 2 306.397 3.539 20 0 DHADLP Cc1nocc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963801 1032934166 /nfs/dbraw/zinc/93/41/66/1032934166.db2.gz JJXZWRDJAJOXOM-GOSISDBHSA-N 2 2 313.445 3.516 20 0 DHADLP Cc1nocc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963801 1032934179 /nfs/dbraw/zinc/93/41/79/1032934179.db2.gz JJXZWRDJAJOXOM-GOSISDBHSA-N 2 2 313.445 3.516 20 0 DHADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC1(C)C ZINC000414074506 1020848510 /nfs/dbraw/zinc/84/85/10/1020848510.db2.gz WWSOXIMRBBWXOV-ZWKOTPCHSA-N 2 2 311.473 3.888 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924574373 1020921654 /nfs/dbraw/zinc/92/16/54/1020921654.db2.gz VUODQIIOWNNHHQ-BBRMVZONSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924574373 1020921660 /nfs/dbraw/zinc/92/16/60/1020921660.db2.gz VUODQIIOWNNHHQ-BBRMVZONSA-N 2 2 307.869 3.576 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1C ZINC000414167563 1020955104 /nfs/dbraw/zinc/95/51/04/1020955104.db2.gz PLVQOYQAISOCHI-DYESRHJHSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1C ZINC000414167563 1020955109 /nfs/dbraw/zinc/95/51/09/1020955109.db2.gz PLVQOYQAISOCHI-DYESRHJHSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1C ZINC000414167566 1020955918 /nfs/dbraw/zinc/95/59/18/1020955918.db2.gz PLVQOYQAISOCHI-UWJYYQICSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1C ZINC000414167566 1020955928 /nfs/dbraw/zinc/95/59/28/1020955928.db2.gz PLVQOYQAISOCHI-UWJYYQICSA-N 2 2 323.484 3.699 20 0 DHADLP CC(C)c1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000924575333 1020957234 /nfs/dbraw/zinc/95/72/34/1020957234.db2.gz LOMWABQOQFSTBS-NRFANRHFSA-N 2 2 323.484 3.978 20 0 DHADLP Cc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000742378236 1021115712 /nfs/dbraw/zinc/11/57/12/1021115712.db2.gz MJVCZNUENXSZGK-UHFFFAOYSA-N 2 2 323.484 3.820 20 0 DHADLP Cc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccc1C(F)(F)F ZINC000414370765 1021143577 /nfs/dbraw/zinc/14/35/77/1021143577.db2.gz HHOQYYBHVMDWSF-UHFFFAOYSA-N 2 2 314.395 3.976 20 0 DHADLP Clc1cc2cccnc2c(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553783 1021161499 /nfs/dbraw/zinc/16/14/99/1021161499.db2.gz JJLJKZZWACIXJO-INIZCTEOSA-N 2 2 315.848 3.653 20 0 DHADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337393310 1032962798 /nfs/dbraw/zinc/96/27/98/1032962798.db2.gz OICFUYWCEPLTTL-ZIFCJYIRSA-N 2 2 301.478 3.572 20 0 DHADLP CC1(C)C[C@@H]([NH+]2CCC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979975 1032966601 /nfs/dbraw/zinc/96/66/01/1032966601.db2.gz CONOTNWHRRYXCC-ROUUACIJSA-N 2 2 304.453 3.864 20 0 DHADLP CC1(C)C[C@@H]([NH+]2CCC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979975 1032966612 /nfs/dbraw/zinc/96/66/12/1032966612.db2.gz CONOTNWHRRYXCC-ROUUACIJSA-N 2 2 304.453 3.864 20 0 DHADLP CC1(C)C[C@@H]([N@@H+]2CCC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171979975 1032966625 /nfs/dbraw/zinc/96/66/25/1032966625.db2.gz CONOTNWHRRYXCC-ROUUACIJSA-N 2 2 304.453 3.864 20 0 DHADLP CC1(C)C[C@@H]([N@H+]2CCC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171979975 1032966637 /nfs/dbraw/zinc/96/66/37/1032966637.db2.gz CONOTNWHRRYXCC-ROUUACIJSA-N 2 2 304.453 3.864 20 0 DHADLP C[N@H+](Cc1cccnc1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977962 1032967364 /nfs/dbraw/zinc/96/73/64/1032967364.db2.gz VJUFXJOPOLKMFH-HXUWFJFHSA-N 2 2 323.484 3.957 20 0 DHADLP C[N@@H+](Cc1cccnc1)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977962 1032967372 /nfs/dbraw/zinc/96/73/72/1032967372.db2.gz VJUFXJOPOLKMFH-HXUWFJFHSA-N 2 2 323.484 3.957 20 0 DHADLP C[NH+](Cc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977962 1032967380 /nfs/dbraw/zinc/96/73/80/1032967380.db2.gz VJUFXJOPOLKMFH-HXUWFJFHSA-N 2 2 323.484 3.957 20 0 DHADLP C[NH+](Cc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977962 1032967387 /nfs/dbraw/zinc/96/73/87/1032967387.db2.gz VJUFXJOPOLKMFH-HXUWFJFHSA-N 2 2 323.484 3.957 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000252456418 1021290315 /nfs/dbraw/zinc/29/03/15/1021290315.db2.gz MCGITXNUTXPNFU-ZBFHGGJFSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000252456418 1021290323 /nfs/dbraw/zinc/29/03/23/1021290323.db2.gz MCGITXNUTXPNFU-ZBFHGGJFSA-N 2 2 323.278 3.510 20 0 DHADLP CC1(C)C[C@H]([NH2+][C@@H]2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001171983931 1032966157 /nfs/dbraw/zinc/96/61/57/1032966157.db2.gz QSSNGBDLMBSTKZ-QZTJIDSGSA-N 2 2 314.473 3.531 20 0 DHADLP CC1(C)C[C@H]([NH2+][C@@H]2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001171983931 1032966166 /nfs/dbraw/zinc/96/61/66/1032966166.db2.gz QSSNGBDLMBSTKZ-QZTJIDSGSA-N 2 2 314.473 3.531 20 0 DHADLP COc1ccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000128654661 1021310873 /nfs/dbraw/zinc/31/08/73/1021310873.db2.gz DBICTHQDONLDCL-INIZCTEOSA-N 2 2 321.424 3.774 20 0 DHADLP Cc1noc(C)c1CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000166188288 1021391289 /nfs/dbraw/zinc/39/12/89/1021391289.db2.gz WRYGJHNJQOPMRD-CQSZACIVSA-N 2 2 324.428 3.761 20 0 DHADLP Cc1noc(C)c1CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000166188169 1021392500 /nfs/dbraw/zinc/39/25/00/1021392500.db2.gz WRYGJHNJQOPMRD-AWEZNQCLSA-N 2 2 324.428 3.761 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2cnccc2o1 ZINC000850425751 1021524373 /nfs/dbraw/zinc/52/43/73/1021524373.db2.gz PHVYHVSHJJWDEU-SUMWQHHRSA-N 2 2 312.417 3.790 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2cnccc2o1 ZINC000850425739 1021524970 /nfs/dbraw/zinc/52/49/70/1021524970.db2.gz PHVYHVSHJJWDEU-CXAGYDPISA-N 2 2 312.417 3.790 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850530122 1021583504 /nfs/dbraw/zinc/58/35/04/1021583504.db2.gz VVVDVABYCJRJAH-PNHOKKKMSA-N 2 2 319.408 3.701 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000556205089 1021602272 /nfs/dbraw/zinc/60/22/72/1021602272.db2.gz KYZMBMHQKDZARE-JPLJXNOCSA-N 2 2 315.505 3.850 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000556205089 1021602275 /nfs/dbraw/zinc/60/22/75/1021602275.db2.gz KYZMBMHQKDZARE-JPLJXNOCSA-N 2 2 315.505 3.850 20 0 DHADLP c1coc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172068016 1032994266 /nfs/dbraw/zinc/99/42/66/1032994266.db2.gz PLCPCKNKRKMMIX-LDLYASANSA-N 2 2 310.441 3.955 20 0 DHADLP c1coc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172068016 1032994275 /nfs/dbraw/zinc/99/42/75/1032994275.db2.gz PLCPCKNKRKMMIX-LDLYASANSA-N 2 2 310.441 3.955 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OC2CCCC2)CC[N@@H+]1C ZINC000093643810 1021638820 /nfs/dbraw/zinc/63/88/20/1021638820.db2.gz MFBPBABIDHYULU-WMZOPIPTSA-N 2 2 316.489 3.923 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OC2CCCC2)CC[N@H+]1C ZINC000093643810 1021638825 /nfs/dbraw/zinc/63/88/25/1021638825.db2.gz MFBPBABIDHYULU-WMZOPIPTSA-N 2 2 316.489 3.923 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC2CCCC2)CC[NH+]1C ZINC000093643810 1021638827 /nfs/dbraw/zinc/63/88/27/1021638827.db2.gz MFBPBABIDHYULU-WMZOPIPTSA-N 2 2 316.489 3.923 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)CC[NH+]1C ZINC000093643810 1021638828 /nfs/dbraw/zinc/63/88/28/1021638828.db2.gz MFBPBABIDHYULU-WMZOPIPTSA-N 2 2 316.489 3.923 20 0 DHADLP Fc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037292702 1021681589 /nfs/dbraw/zinc/68/15/89/1021681589.db2.gz CILSXDOULKUBIG-HRCADAONSA-N 2 2 306.450 3.579 20 0 DHADLP Fc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037292702 1021681601 /nfs/dbraw/zinc/68/16/01/1021681601.db2.gz CILSXDOULKUBIG-HRCADAONSA-N 2 2 306.450 3.579 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000565222949 1021802227 /nfs/dbraw/zinc/80/22/27/1021802227.db2.gz STEMTIPEMMQUTD-SFYCDEOASA-N 2 2 310.388 3.552 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000565222949 1021802246 /nfs/dbraw/zinc/80/22/46/1021802246.db2.gz STEMTIPEMMQUTD-SFYCDEOASA-N 2 2 310.388 3.552 20 0 DHADLP CO[C@H]1CC[N@H+](Cc2c(C)cc(C(C)(C)C)cc2C)[C@H](C[NH3+])C1 ZINC000261920650 1021851273 /nfs/dbraw/zinc/85/12/73/1021851273.db2.gz RLCCOAXMWRIZCZ-ROUUACIJSA-N 2 2 318.505 3.539 20 0 DHADLP CO[C@H]1CC[N@@H+](Cc2c(C)cc(C(C)(C)C)cc2C)[C@H](C[NH3+])C1 ZINC000261920650 1021851288 /nfs/dbraw/zinc/85/12/88/1021851288.db2.gz RLCCOAXMWRIZCZ-ROUUACIJSA-N 2 2 318.505 3.539 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000261953478 1021856771 /nfs/dbraw/zinc/85/67/71/1021856771.db2.gz NPBAMFMONOISTK-JSGCOSHPSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000261953478 1021856786 /nfs/dbraw/zinc/85/67/86/1021856786.db2.gz NPBAMFMONOISTK-JSGCOSHPSA-N 2 2 319.836 3.554 20 0 DHADLP CCCCCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261183 1021869317 /nfs/dbraw/zinc/86/93/17/1021869317.db2.gz JELMZXOKOYCPIZ-UHFFFAOYSA-N 2 2 303.494 3.601 20 0 DHADLP CCCCCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261183 1021869334 /nfs/dbraw/zinc/86/93/34/1021869334.db2.gz JELMZXOKOYCPIZ-UHFFFAOYSA-N 2 2 303.494 3.601 20 0 DHADLP COc1ccccc1C1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC001172115892 1033021323 /nfs/dbraw/zinc/02/13/23/1033021323.db2.gz VZSMITAPRJCNMO-BJWYYQGGSA-N 2 2 314.473 3.679 20 0 DHADLP COc1ccccc1C1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001172115892 1033021330 /nfs/dbraw/zinc/02/13/30/1033021330.db2.gz VZSMITAPRJCNMO-BJWYYQGGSA-N 2 2 314.473 3.679 20 0 DHADLP Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)C1CC[NH+](C)CC1 ZINC000386217616 1022055659 /nfs/dbraw/zinc/05/56/59/1022055659.db2.gz ZPTNATPOTCOSBP-MRXNPFEDSA-N 2 2 301.478 3.737 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000387260032 1022057555 /nfs/dbraw/zinc/05/75/55/1022057555.db2.gz UMACWSZWJBLDQD-GUDVDZBRSA-N 2 2 304.478 3.617 20 0 DHADLP Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000390252629 1022069808 /nfs/dbraw/zinc/06/98/08/1022069808.db2.gz MMJBGGNVMBYZNI-CHWSQXEVSA-N 2 2 310.401 3.889 20 0 DHADLP Cc1cc[nH+]c(C)c1-n1c2cc(Cl)ccc2nc1CCC[NH3+] ZINC001168995814 1022207832 /nfs/dbraw/zinc/20/78/32/1022207832.db2.gz NJTJRJKOPIJWIB-UHFFFAOYSA-N 2 2 314.820 3.582 20 0 DHADLP Cc1[nH+]c2c(n1[C@H](Cc1ccccc1)CC(C)C)CC[NH2+]CC2 ZINC001169071638 1022242357 /nfs/dbraw/zinc/24/23/57/1022242357.db2.gz ZLIUKWSUPSUMIZ-SFHVURJKSA-N 2 2 311.473 3.710 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1cc(F)ccc1F)C2 ZINC001169143100 1022274089 /nfs/dbraw/zinc/27/40/89/1022274089.db2.gz XOLDUFAWGWFMGZ-KRXQYRFLSA-N 2 2 306.400 3.727 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H]1c1cc(F)ccc1F)C2 ZINC001169143100 1022274098 /nfs/dbraw/zinc/27/40/98/1022274098.db2.gz XOLDUFAWGWFMGZ-KRXQYRFLSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1c1cc(F)ccc1F)C2 ZINC001169143100 1022274105 /nfs/dbraw/zinc/27/41/05/1022274105.db2.gz XOLDUFAWGWFMGZ-KRXQYRFLSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H]1c1cc(F)ccc1F)C2 ZINC001169143100 1022274113 /nfs/dbraw/zinc/27/41/13/1022274113.db2.gz XOLDUFAWGWFMGZ-KRXQYRFLSA-N 2 2 306.400 3.727 20 0 DHADLP CC[NH+]1CCC([NH2+]C2(c3ccccc3C(F)(F)F)CC2)CC1 ZINC001169229576 1022311352 /nfs/dbraw/zinc/31/13/52/1022311352.db2.gz BZRNXWKFQRTTTR-UHFFFAOYSA-N 2 2 312.379 3.768 20 0 DHADLP CC[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccccn2)CC1 ZINC001169245980 1022323685 /nfs/dbraw/zinc/32/36/85/1022323685.db2.gz LDACTGKFDJDMPS-UHFFFAOYSA-N 2 2 309.457 3.568 20 0 DHADLP CC[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccccn2)CC1 ZINC001169245980 1022323698 /nfs/dbraw/zinc/32/36/98/1022323698.db2.gz LDACTGKFDJDMPS-UHFFFAOYSA-N 2 2 309.457 3.568 20 0 DHADLP CC[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cccnc2)CC1 ZINC001169255212 1022327125 /nfs/dbraw/zinc/32/71/25/1022327125.db2.gz NPDAOXIHQMGICU-UHFFFAOYSA-N 2 2 309.457 3.568 20 0 DHADLP CC[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cccnc2)CC1 ZINC001169255212 1022327141 /nfs/dbraw/zinc/32/71/41/1022327141.db2.gz NPDAOXIHQMGICU-UHFFFAOYSA-N 2 2 309.457 3.568 20 0 DHADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(F)c1 ZINC000363849979 1022335641 /nfs/dbraw/zinc/33/56/41/1022335641.db2.gz DJDSTDMCNZGXHW-QGZVFWFLSA-N 2 2 301.409 3.642 20 0 DHADLP C[C@@H]1C[C@@H](Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc21 ZINC001169379914 1022378694 /nfs/dbraw/zinc/37/86/94/1022378694.db2.gz OPBSGLFONFFNPF-QLVMHMETSA-N 2 2 321.468 3.880 20 0 DHADLP C[C@@H]1C[C@@H](Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc21 ZINC001169379914 1022378716 /nfs/dbraw/zinc/37/87/16/1022378716.db2.gz OPBSGLFONFFNPF-QLVMHMETSA-N 2 2 321.468 3.880 20 0 DHADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)c1ccccc1 ZINC001172229656 1033052470 /nfs/dbraw/zinc/05/24/70/1033052470.db2.gz YWRUTESAKCWTRJ-JAGQDSLRSA-N 2 2 320.436 3.503 20 0 DHADLP Clc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000237667494 1022484472 /nfs/dbraw/zinc/48/44/72/1022484472.db2.gz YVLXDYWNKRKGFK-UHFFFAOYSA-N 2 2 311.816 3.858 20 0 DHADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@H]2CSc3ccccc3C2)cc1 ZINC001172199726 1033059266 /nfs/dbraw/zinc/05/92/66/1033059266.db2.gz DHCNKZAUAMBQQE-QGZVFWFLSA-N 2 2 321.449 3.898 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(F)c1F ZINC000318865138 1022564700 /nfs/dbraw/zinc/56/47/00/1022564700.db2.gz LNLWJRREMOIMJZ-IUODEOHRSA-N 2 2 307.388 3.927 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1cccs1)CCC2 ZINC000367438712 1022640078 /nfs/dbraw/zinc/64/00/78/1022640078.db2.gz OTJYFMQJECTDOJ-JJXSEGSLSA-N 2 2 315.486 3.912 20 0 DHADLP Cc1[nH]c(C[NH2+]C2(CC(=O)OC(C)(C)C)CCCCC2)c(C)[nH+]1 ZINC000930901391 1022824679 /nfs/dbraw/zinc/82/46/79/1022824679.db2.gz RFOMNEGFVQLUIB-UHFFFAOYSA-N 2 2 321.465 3.551 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC(C)(C)C)c1 ZINC000165894436 1022997502 /nfs/dbraw/zinc/99/75/02/1022997502.db2.gz GQSMJBCVEVQTOL-NVXWUHKLSA-N 2 2 304.478 3.745 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC(C)(C)C)c1 ZINC000165894436 1022997511 /nfs/dbraw/zinc/99/75/11/1022997511.db2.gz GQSMJBCVEVQTOL-NVXWUHKLSA-N 2 2 304.478 3.745 20 0 DHADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2sccc2Br)C1 ZINC000250210263 1023071864 /nfs/dbraw/zinc/07/18/64/1023071864.db2.gz CMMNYTXBTCBONU-MNOVXSKESA-N 2 2 317.296 3.503 20 0 DHADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2sccc2Br)C1 ZINC000250210263 1023071872 /nfs/dbraw/zinc/07/18/72/1023071872.db2.gz CMMNYTXBTCBONU-MNOVXSKESA-N 2 2 317.296 3.503 20 0 DHADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000193460019 1023104637 /nfs/dbraw/zinc/10/46/37/1023104637.db2.gz OBRQNXCBUKMBOS-GOSISDBHSA-N 2 2 320.477 3.573 20 0 DHADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000193460019 1023104641 /nfs/dbraw/zinc/10/46/41/1023104641.db2.gz OBRQNXCBUKMBOS-GOSISDBHSA-N 2 2 320.477 3.573 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1N(C)C ZINC000769684359 1023188754 /nfs/dbraw/zinc/18/87/54/1023188754.db2.gz LVVXHXBWRMSIAZ-CRAIPNDOSA-N 2 2 314.477 3.715 20 0 DHADLP c1cn(C2CC[NH+](CCOc3ccc4ccccc4c3)CC2)c[nH+]1 ZINC000111244642 1023267756 /nfs/dbraw/zinc/26/77/56/1023267756.db2.gz XKYRJJNTSIQZFZ-UHFFFAOYSA-N 2 2 321.424 3.752 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)n2c1CCCC2 ZINC000660479735 1023271774 /nfs/dbraw/zinc/27/17/74/1023271774.db2.gz IDVQXMYVGBYWET-XMTFNYHQSA-N 2 2 313.489 3.835 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)n2c1CCCC2 ZINC000660479735 1023271803 /nfs/dbraw/zinc/27/18/03/1023271803.db2.gz IDVQXMYVGBYWET-XMTFNYHQSA-N 2 2 313.489 3.835 20 0 DHADLP Cc1cc(N2CCC([N@H+](C)CC(F)F)CC2)c2ccccc2[nH+]1 ZINC000771162861 1023400371 /nfs/dbraw/zinc/40/03/71/1023400371.db2.gz JFIUXEUWNMEBOY-UHFFFAOYSA-N 2 2 319.399 3.709 20 0 DHADLP Cc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)c2ccccc2[nH+]1 ZINC000771162861 1023400377 /nfs/dbraw/zinc/40/03/77/1023400377.db2.gz JFIUXEUWNMEBOY-UHFFFAOYSA-N 2 2 319.399 3.709 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC000771374025 1023428352 /nfs/dbraw/zinc/42/83/52/1023428352.db2.gz FTDOSQJIPXJPSA-DOTOQJQBSA-N 2 2 300.450 3.660 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000651949606 1023673991 /nfs/dbraw/zinc/67/39/91/1023673991.db2.gz PICZJSQCELXKGN-QGZVFWFLSA-N 2 2 320.452 3.892 20 0 DHADLP CCOCC[C@@H](C)[NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001172409124 1033155577 /nfs/dbraw/zinc/15/55/77/1033155577.db2.gz PXJIONZXSQYEBN-NSISKUIASA-N 2 2 312.457 3.832 20 0 DHADLP Cc1c([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cnn1C(C)C ZINC000786896627 1023735022 /nfs/dbraw/zinc/73/50/22/1023735022.db2.gz BKUYRZQUMHRHKZ-RHSMWYFYSA-N 2 2 317.481 3.734 20 0 DHADLP C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000787753263 1023814394 /nfs/dbraw/zinc/81/43/94/1023814394.db2.gz FJSQYNQAGWBHRQ-MGPUTAFESA-N 2 2 319.408 3.794 20 0 DHADLP COc1ccc([C@H]([NH2+]CC2(C)CC(F)(F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000925735029 1023818200 /nfs/dbraw/zinc/81/82/00/1023818200.db2.gz XJYUMWXPDZGGLL-HOTGVXAUSA-N 2 2 324.415 3.513 20 0 DHADLP CC(C)CCC[C@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001170091360 1023946456 /nfs/dbraw/zinc/94/64/56/1023946456.db2.gz SNSVYWKAKQCHBL-HNNXBMFYSA-N 2 2 307.457 3.994 20 0 DHADLP CC[C@H](CC(C)C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001172395245 1033178792 /nfs/dbraw/zinc/17/87/92/1033178792.db2.gz JUVIPYPPBJBPCQ-HUUCEWRRSA-N 2 2 313.283 3.863 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000531143650 1024035837 /nfs/dbraw/zinc/03/58/37/1024035837.db2.gz LCOFNONPJMBJMM-BBRMVZONSA-N 2 2 310.869 3.653 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000531143650 1024035805 /nfs/dbraw/zinc/03/58/05/1024035805.db2.gz LCOFNONPJMBJMM-BBRMVZONSA-N 2 2 310.869 3.653 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000531143650 1024035823 /nfs/dbraw/zinc/03/58/23/1024035823.db2.gz LCOFNONPJMBJMM-BBRMVZONSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000531143650 1024035852 /nfs/dbraw/zinc/03/58/52/1024035852.db2.gz LCOFNONPJMBJMM-BBRMVZONSA-N 2 2 310.869 3.653 20 0 DHADLP CCc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000268774174 1024157703 /nfs/dbraw/zinc/15/77/03/1024157703.db2.gz QYQBIBJAFCZYMK-HNNXBMFYSA-N 2 2 309.413 3.938 20 0 DHADLP COc1cccc2c1CC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000268822255 1024171134 /nfs/dbraw/zinc/17/11/34/1024171134.db2.gz HIPYCZDHCVLYSB-KRWDZBQOSA-N 2 2 311.429 3.559 20 0 DHADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663344476 1024174808 /nfs/dbraw/zinc/17/48/08/1024174808.db2.gz UMNIYCBSUYUESX-HNNXBMFYSA-N 2 2 321.534 3.652 20 0 DHADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663344476 1024174814 /nfs/dbraw/zinc/17/48/14/1024174814.db2.gz UMNIYCBSUYUESX-HNNXBMFYSA-N 2 2 321.534 3.652 20 0 DHADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000268845941 1024177796 /nfs/dbraw/zinc/17/77/96/1024177796.db2.gz VGLLDPJJCCXHGB-DOMZBBRYSA-N 2 2 309.360 3.614 20 0 DHADLP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000531709890 1024278670 /nfs/dbraw/zinc/27/86/70/1024278670.db2.gz KNKYLVYTDYCVAV-MRXNPFEDSA-N 2 2 313.445 3.942 20 0 DHADLP CC(C)OCC[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001172439039 1033200949 /nfs/dbraw/zinc/20/09/49/1033200949.db2.gz WIEZQIGWJGSCDY-IEBWSBKVSA-N 2 2 304.478 3.617 20 0 DHADLP CCSc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000883236215 1024307087 /nfs/dbraw/zinc/30/70/87/1024307087.db2.gz VZCPPDAIXLGOQH-UHFFFAOYSA-N 2 2 301.459 3.549 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccncc1 ZINC000453083088 1024320984 /nfs/dbraw/zinc/32/09/84/1024320984.db2.gz MVALOPRAFNLIKC-IBGZPJMESA-N 2 2 306.413 3.567 20 0 DHADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000348225812 1024333045 /nfs/dbraw/zinc/33/30/45/1024333045.db2.gz HTVRKSJKPRCWBD-IUODEOHRSA-N 2 2 309.335 3.645 20 0 DHADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000348225812 1024333053 /nfs/dbraw/zinc/33/30/53/1024333053.db2.gz HTVRKSJKPRCWBD-IUODEOHRSA-N 2 2 309.335 3.645 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCc3ccccc3CC1)CCC2 ZINC000453113716 1024340175 /nfs/dbraw/zinc/34/01/75/1024340175.db2.gz FOQZIMJHOZRRHR-GOSISDBHSA-N 2 2 309.457 3.606 20 0 DHADLP C[C@@H](Cc1ccsc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387020 1024419203 /nfs/dbraw/zinc/41/92/03/1024419203.db2.gz QOHHQWLPMZEATF-MAUKXSAKSA-N 2 2 311.454 3.907 20 0 DHADLP Cc1cncc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883387597 1024419430 /nfs/dbraw/zinc/41/94/30/1024419430.db2.gz ABQGBNJIJNHDNZ-APWZRJJASA-N 2 2 306.413 3.679 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883387359 1024419855 /nfs/dbraw/zinc/41/98/55/1024419855.db2.gz WXVDRZMCKGXDEA-OXJNMPFZSA-N 2 2 321.424 3.984 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387421 1024420131 /nfs/dbraw/zinc/42/01/31/1024420131.db2.gz XLQSBLIKMKCEGI-QFBILLFUSA-N 2 2 321.424 3.984 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000166401282 1024479672 /nfs/dbraw/zinc/47/96/72/1024479672.db2.gz FDAALWRHFCCHAL-YCPHGPKFSA-N 2 2 315.486 3.943 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000166401282 1024479675 /nfs/dbraw/zinc/47/96/75/1024479675.db2.gz FDAALWRHFCCHAL-YCPHGPKFSA-N 2 2 315.486 3.943 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000166401402 1024480451 /nfs/dbraw/zinc/48/04/51/1024480451.db2.gz FDAALWRHFCCHAL-DZKIICNBSA-N 2 2 315.486 3.943 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000166401402 1024480458 /nfs/dbraw/zinc/48/04/58/1024480458.db2.gz FDAALWRHFCCHAL-DZKIICNBSA-N 2 2 315.486 3.943 20 0 DHADLP c1cc(C[NH+]2CCC([NH2+]CC3(C4CCC4)CCC3)CC2)ccn1 ZINC000453396889 1024498327 /nfs/dbraw/zinc/49/83/27/1024498327.db2.gz LAXPDJDMRBYRSI-UHFFFAOYSA-N 2 2 313.489 3.606 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453407487 1024503026 /nfs/dbraw/zinc/50/30/26/1024503026.db2.gz GIOPVXJJPZLKPQ-HOTGVXAUSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453407489 1024503677 /nfs/dbraw/zinc/50/36/77/1024503677.db2.gz GIOPVXJJPZLKPQ-HZPDHXFCSA-N 2 2 313.445 3.728 20 0 DHADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000453414328 1024508273 /nfs/dbraw/zinc/50/82/73/1024508273.db2.gz YOIPJCUWMZSMTR-HKUYNNGSSA-N 2 2 316.489 3.618 20 0 DHADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000453414328 1024508281 /nfs/dbraw/zinc/50/82/81/1024508281.db2.gz YOIPJCUWMZSMTR-HKUYNNGSSA-N 2 2 316.489 3.618 20 0 DHADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453458258 1024524024 /nfs/dbraw/zinc/52/40/24/1024524024.db2.gz VTYOHLVBNJJZMD-OJAHFUOMSA-N 2 2 315.505 3.706 20 0 DHADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453458258 1024524032 /nfs/dbraw/zinc/52/40/32/1024524032.db2.gz VTYOHLVBNJJZMD-OJAHFUOMSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000271612312 1024550730 /nfs/dbraw/zinc/55/07/30/1024550730.db2.gz CLNXGPGJARZHMJ-ZDUSSCGKSA-N 2 2 309.360 3.568 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271612312 1024550735 /nfs/dbraw/zinc/55/07/35/1024550735.db2.gz CLNXGPGJARZHMJ-ZDUSSCGKSA-N 2 2 309.360 3.568 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@H](CC2CC2)c2ccccc2)CCSC1 ZINC000532248526 1024585053 /nfs/dbraw/zinc/58/50/53/1024585053.db2.gz VYZHBVKGVXSDPL-MSOLQXFVSA-N 2 2 304.503 3.555 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000532240135 1024587542 /nfs/dbraw/zinc/58/75/42/1024587542.db2.gz DPUXEYAUFLAYSM-SJORKVTESA-N 2 2 309.457 3.741 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000532240135 1024587549 /nfs/dbraw/zinc/58/75/49/1024587549.db2.gz DPUXEYAUFLAYSM-SJORKVTESA-N 2 2 309.457 3.741 20 0 DHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000390880841 1024590210 /nfs/dbraw/zinc/59/02/10/1024590210.db2.gz UIUNGXCTWPEXBX-FQEVSTJZSA-N 2 2 324.468 3.783 20 0 DHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000390880841 1024590223 /nfs/dbraw/zinc/59/02/23/1024590223.db2.gz UIUNGXCTWPEXBX-FQEVSTJZSA-N 2 2 324.468 3.783 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000348753274 1024611075 /nfs/dbraw/zinc/61/10/75/1024611075.db2.gz IHOSLHIHFFDDRE-LSDHHAIUSA-N 2 2 322.412 3.688 20 0 DHADLP Cc1occc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000648431632 1024630564 /nfs/dbraw/zinc/63/05/64/1024630564.db2.gz OVBAKNBOINQROT-INIZCTEOSA-N 2 2 312.457 3.773 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)nc1 ZINC000760158612 1024674795 /nfs/dbraw/zinc/67/47/95/1024674795.db2.gz VRUVHESTESPMKP-TZMCWYRMSA-N 2 2 306.841 3.697 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(C2CCCC2)s1 ZINC000349384831 1024712300 /nfs/dbraw/zinc/71/23/00/1024712300.db2.gz PRRSCKYYFOEWOQ-UHFFFAOYSA-N 2 2 309.523 3.964 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(C2CCCC2)s1 ZINC000349384831 1024712316 /nfs/dbraw/zinc/71/23/16/1024712316.db2.gz PRRSCKYYFOEWOQ-UHFFFAOYSA-N 2 2 309.523 3.964 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccccc2F)o1 ZINC000349384484 1024713479 /nfs/dbraw/zinc/71/34/79/1024713479.db2.gz PDVLIFBBZBEVOL-UHFFFAOYSA-N 2 2 313.376 3.804 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccccc2F)o1 ZINC000349384484 1024713490 /nfs/dbraw/zinc/71/34/90/1024713490.db2.gz PDVLIFBBZBEVOL-UHFFFAOYSA-N 2 2 313.376 3.804 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cc(CO)cc(C)[nH+]2)cc1 ZINC000663699407 1024822530 /nfs/dbraw/zinc/82/25/30/1024822530.db2.gz JAJYPKNYGMDTFF-AWEZNQCLSA-N 2 2 322.412 3.550 20 0 DHADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115545739 1024841754 /nfs/dbraw/zinc/84/17/54/1024841754.db2.gz KLSIEODQPXAECV-SFHVURJKSA-N 2 2 324.896 3.570 20 0 DHADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115545739 1024841765 /nfs/dbraw/zinc/84/17/65/1024841765.db2.gz KLSIEODQPXAECV-SFHVURJKSA-N 2 2 324.896 3.570 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(F)ccc1F ZINC000162840703 1024895129 /nfs/dbraw/zinc/89/51/29/1024895129.db2.gz UPLZAPKNURBLOO-ZDUSSCGKSA-N 2 2 305.372 3.903 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2n[nH]cc2c1 ZINC000353101531 1024948808 /nfs/dbraw/zinc/94/88/08/1024948808.db2.gz NRUCAMHFUKKJNL-CQSZACIVSA-N 2 2 317.396 3.599 20 0 DHADLP COCC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC000353153394 1024971423 /nfs/dbraw/zinc/97/14/23/1024971423.db2.gz NIYWLUKQLPTYGR-UHFFFAOYSA-N 2 2 319.474 3.620 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CC[N@H+]1C ZINC000348320761 1025033040 /nfs/dbraw/zinc/03/30/40/1025033040.db2.gz HLBBQXIHGPNLBE-GXSJLCMTSA-N 2 2 322.321 3.556 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CC[N@@H+]1C ZINC000348320761 1025033032 /nfs/dbraw/zinc/03/30/32/1025033032.db2.gz HLBBQXIHGPNLBE-GXSJLCMTSA-N 2 2 322.321 3.556 20 0 DHADLP Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000353542306 1025115964 /nfs/dbraw/zinc/11/59/64/1025115964.db2.gz KGCMWIGBFQVASP-UHFFFAOYSA-N 2 2 324.428 3.810 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)ccc1OC ZINC000353640511 1025171532 /nfs/dbraw/zinc/17/15/32/1025171532.db2.gz HKVCGMRJWZHJND-TZMCWYRMSA-N 2 2 319.836 3.670 20 0 DHADLP CCSc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000353640000 1025171861 /nfs/dbraw/zinc/17/18/61/1025171861.db2.gz FPWCTMTWPCAPKR-TZMCWYRMSA-N 2 2 301.459 3.730 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccsc2S1 ZINC000353652350 1025177528 /nfs/dbraw/zinc/17/75/28/1025177528.db2.gz WJKCZHMFGMMDNY-BREBYQMCSA-N 2 2 305.472 3.544 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(CC(C)C)s2)C[C@H]1C ZINC000353764836 1025239525 /nfs/dbraw/zinc/23/95/25/1025239525.db2.gz AOWYCLLPMGIWBK-HUUCEWRRSA-N 2 2 309.523 3.646 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(CC(C)C)s2)C[C@H]1C ZINC000353764836 1025239539 /nfs/dbraw/zinc/23/95/39/1025239539.db2.gz AOWYCLLPMGIWBK-HUUCEWRRSA-N 2 2 309.523 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(CC(C)C)s2)C[C@H]1C ZINC000353764836 1025239554 /nfs/dbraw/zinc/23/95/54/1025239554.db2.gz AOWYCLLPMGIWBK-HUUCEWRRSA-N 2 2 309.523 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(CC(C)C)s2)C[C@H]1C ZINC000353764836 1025239568 /nfs/dbraw/zinc/23/95/68/1025239568.db2.gz AOWYCLLPMGIWBK-HUUCEWRRSA-N 2 2 309.523 3.646 20 0 DHADLP C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353979466 1025309651 /nfs/dbraw/zinc/30/96/51/1025309651.db2.gz QRXDDJPHRVJFQP-LBPRGKRZSA-N 2 2 309.335 3.865 20 0 DHADLP Cc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)[nH+]c2cc[nH]c21 ZINC001170452739 1025311160 /nfs/dbraw/zinc/31/11/60/1025311160.db2.gz BFTBOOFFXXFQQV-UHFFFAOYSA-N 2 2 300.450 3.935 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000123738920 1025396705 /nfs/dbraw/zinc/39/67/05/1025396705.db2.gz OFZRFHLIADGRCZ-OAHLLOKOSA-N 2 2 303.837 3.528 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000123738920 1025396717 /nfs/dbraw/zinc/39/67/17/1025396717.db2.gz OFZRFHLIADGRCZ-OAHLLOKOSA-N 2 2 303.837 3.528 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000123759434 1025398478 /nfs/dbraw/zinc/39/84/78/1025398478.db2.gz AOEJSCSIOQGMNW-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000123759434 1025398489 /nfs/dbraw/zinc/39/84/89/1025398489.db2.gz AOEJSCSIOQGMNW-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000885922864 1025406514 /nfs/dbraw/zinc/40/65/14/1025406514.db2.gz JXERDAODWQJVNH-KURKYZTESA-N 2 2 308.510 3.721 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000885922864 1025406520 /nfs/dbraw/zinc/40/65/20/1025406520.db2.gz JXERDAODWQJVNH-KURKYZTESA-N 2 2 308.510 3.721 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCC3)C1 ZINC000354551432 1025454345 /nfs/dbraw/zinc/45/43/45/1025454345.db2.gz ZJUHMYDUYQSSFY-HNAYVOBHSA-N 2 2 307.441 3.818 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCC3)C1 ZINC000354551432 1025454354 /nfs/dbraw/zinc/45/43/54/1025454354.db2.gz ZJUHMYDUYQSSFY-HNAYVOBHSA-N 2 2 307.441 3.818 20 0 DHADLP CCN(CC)[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000127583519 1025544771 /nfs/dbraw/zinc/54/47/71/1025544771.db2.gz BRSBZVUGMXRVOK-JKSUJKDBSA-N 2 2 314.477 3.562 20 0 DHADLP Fc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCn1cc[nH+]c1 ZINC000886487684 1025647298 /nfs/dbraw/zinc/64/72/98/1025647298.db2.gz OLKLMTCFCFUNGP-QGZVFWFLSA-N 2 2 312.392 3.561 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)c2ccccc21 ZINC000262332471 1025798716 /nfs/dbraw/zinc/79/87/16/1025798716.db2.gz SOHHUVQNZMPULP-HZPDHXFCSA-N 2 2 306.331 3.940 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000886718246 1025831918 /nfs/dbraw/zinc/83/19/18/1025831918.db2.gz UUIRRUCTNQSWCW-CYBMUJFWSA-N 2 2 305.293 3.521 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cscc3C(F)(F)F)CC[C@@H]21 ZINC000356129158 1025957823 /nfs/dbraw/zinc/95/78/23/1025957823.db2.gz RGKCNTWYJACUTA-FZMZJTMJSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cscc3C(F)(F)F)CC[C@@H]21 ZINC000356129158 1025957792 /nfs/dbraw/zinc/95/77/92/1025957792.db2.gz RGKCNTWYJACUTA-FZMZJTMJSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cscc3C(F)(F)F)CC[C@@H]21 ZINC000356129158 1025957807 /nfs/dbraw/zinc/95/78/07/1025957807.db2.gz RGKCNTWYJACUTA-FZMZJTMJSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cscc3C(F)(F)F)CC[C@@H]21 ZINC000356129158 1025957839 /nfs/dbraw/zinc/95/78/39/1025957839.db2.gz RGKCNTWYJACUTA-FZMZJTMJSA-N 2 2 318.408 3.683 20 0 DHADLP FC(F)(F)c1cscc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000356173822 1025973280 /nfs/dbraw/zinc/97/32/80/1025973280.db2.gz HNTFGAIOHXXSGZ-UHFFFAOYSA-N 2 2 318.408 3.873 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000245470308 1026043979 /nfs/dbraw/zinc/04/39/79/1026043979.db2.gz WFFRHMIQLDNDBN-ABSDTBQOSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000245470308 1026043999 /nfs/dbraw/zinc/04/39/99/1026043999.db2.gz WFFRHMIQLDNDBN-ABSDTBQOSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1nc2c(s1)CCCC2 ZINC000245538930 1026062402 /nfs/dbraw/zinc/06/24/02/1026062402.db2.gz NKOYJNOFIIRDAC-HUUCEWRRSA-N 2 2 321.534 3.937 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1nc2c(s1)CCCC2 ZINC000245538930 1026062423 /nfs/dbraw/zinc/06/24/23/1026062423.db2.gz NKOYJNOFIIRDAC-HUUCEWRRSA-N 2 2 321.534 3.937 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644307 1026120104 /nfs/dbraw/zinc/12/01/04/1026120104.db2.gz UBIQWMBIOBZLTQ-YPMHNXCESA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000093644307 1026120111 /nfs/dbraw/zinc/12/01/11/1026120111.db2.gz UBIQWMBIOBZLTQ-YPMHNXCESA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644307 1026120131 /nfs/dbraw/zinc/12/01/31/1026120131.db2.gz UBIQWMBIOBZLTQ-YPMHNXCESA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644307 1026120132 /nfs/dbraw/zinc/12/01/32/1026120132.db2.gz UBIQWMBIOBZLTQ-YPMHNXCESA-N 2 2 318.358 3.759 20 0 DHADLP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccn2)cc1 ZINC000121839533 1026158248 /nfs/dbraw/zinc/15/82/48/1026158248.db2.gz OHZAIZDPKDULGK-LMNJBCLMSA-N 2 2 323.484 3.746 20 0 DHADLP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccn2)cc1 ZINC000121839533 1026158253 /nfs/dbraw/zinc/15/82/53/1026158253.db2.gz OHZAIZDPKDULGK-LMNJBCLMSA-N 2 2 323.484 3.746 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(CC(C)C)s2)[C@@H](C)C1 ZINC000245780111 1026210760 /nfs/dbraw/zinc/21/07/60/1026210760.db2.gz UCYUYRWABVGICY-GOEBONIOSA-N 2 2 309.523 3.504 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(CC(C)C)s2)[C@@H](C)C1 ZINC000245780111 1026210767 /nfs/dbraw/zinc/21/07/67/1026210767.db2.gz UCYUYRWABVGICY-GOEBONIOSA-N 2 2 309.523 3.504 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(CC(C)C)s2)[C@@H](C)C1 ZINC000245780111 1026210781 /nfs/dbraw/zinc/21/07/81/1026210781.db2.gz UCYUYRWABVGICY-GOEBONIOSA-N 2 2 309.523 3.504 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(CC(C)C)s2)[C@@H](C)C1 ZINC000245780111 1026210791 /nfs/dbraw/zinc/21/07/91/1026210791.db2.gz UCYUYRWABVGICY-GOEBONIOSA-N 2 2 309.523 3.504 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000356976451 1026253769 /nfs/dbraw/zinc/25/37/69/1026253769.db2.gz CRHDDIJWVIVMOK-MRXNPFEDSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000356976451 1026253775 /nfs/dbraw/zinc/25/37/75/1026253775.db2.gz CRHDDIJWVIVMOK-MRXNPFEDSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000289974123 1026260489 /nfs/dbraw/zinc/26/04/89/1026260489.db2.gz JHFFLOLRZGUSFS-CYBMUJFWSA-N 2 2 306.479 3.544 20 0 DHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000289974123 1026260504 /nfs/dbraw/zinc/26/05/04/1026260504.db2.gz JHFFLOLRZGUSFS-CYBMUJFWSA-N 2 2 306.479 3.544 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000808698284 1026373811 /nfs/dbraw/zinc/37/38/11/1026373811.db2.gz LLBNPNLZZQOMQS-KXBFYZLASA-N 2 2 311.473 3.928 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000808698284 1026373821 /nfs/dbraw/zinc/37/38/21/1026373821.db2.gz LLBNPNLZZQOMQS-KXBFYZLASA-N 2 2 311.473 3.928 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1C ZINC000513527264 1026536421 /nfs/dbraw/zinc/53/64/21/1026536421.db2.gz RNKGXZSISXOAII-ZWNOBZJWSA-N 2 2 320.786 3.931 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[N@H+]1C ZINC000513527264 1026536428 /nfs/dbraw/zinc/53/64/28/1026536428.db2.gz RNKGXZSISXOAII-ZWNOBZJWSA-N 2 2 320.786 3.931 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1[NH3+] ZINC001206070472 1026675994 /nfs/dbraw/zinc/67/59/94/1026675994.db2.gz MBUDQDAJDMOXDE-FZKQIMNGSA-N 2 2 300.833 3.786 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1[NH3+] ZINC001206070472 1026675995 /nfs/dbraw/zinc/67/59/95/1026675995.db2.gz MBUDQDAJDMOXDE-FZKQIMNGSA-N 2 2 300.833 3.786 20 0 DHADLP [NH3+][C@H]1CCC[C@H](CNc2[nH+]cccc2OCc2ccccc2)C1 ZINC000420272964 1026795504 /nfs/dbraw/zinc/79/55/04/1026795504.db2.gz DSUVFMOTJXVUIX-IRXDYDNUSA-N 2 2 311.429 3.590 20 0 DHADLP C[C@@H]1c2ccccc2C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420917829 1026887096 /nfs/dbraw/zinc/88/70/96/1026887096.db2.gz UKCJEPDWEIJLIZ-QGZVFWFLSA-N 2 2 322.452 3.596 20 0 DHADLP C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420917829 1026887102 /nfs/dbraw/zinc/88/71/02/1026887102.db2.gz UKCJEPDWEIJLIZ-QGZVFWFLSA-N 2 2 322.452 3.596 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421821523 1027056430 /nfs/dbraw/zinc/05/64/30/1027056430.db2.gz RXLVSYVDVROYRZ-ZDUSSCGKSA-N 2 2 310.869 3.874 20 0 DHADLP CC1(c2ccccc2)CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000272032941 1027204211 /nfs/dbraw/zinc/20/42/11/1027204211.db2.gz UMRKMDQRQRXLFB-UHFFFAOYSA-N 2 2 321.468 3.760 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CCC(C(F)(F)F)CC1 ZINC000931719494 1027233577 /nfs/dbraw/zinc/23/35/77/1027233577.db2.gz AKCZLJUAOJLJLA-PFSRBDOWSA-N 2 2 304.400 3.524 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CCC(C(F)(F)F)CC1 ZINC000931719494 1027233587 /nfs/dbraw/zinc/23/35/87/1027233587.db2.gz AKCZLJUAOJLJLA-PFSRBDOWSA-N 2 2 304.400 3.524 20 0 DHADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1CCC(C(F)(F)F)CC1 ZINC000931719494 1027233597 /nfs/dbraw/zinc/23/35/97/1027233597.db2.gz AKCZLJUAOJLJLA-PFSRBDOWSA-N 2 2 304.400 3.524 20 0 DHADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1CCC(C(F)(F)F)CC1 ZINC000931719494 1027233604 /nfs/dbraw/zinc/23/36/04/1027233604.db2.gz AKCZLJUAOJLJLA-PFSRBDOWSA-N 2 2 304.400 3.524 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931727690 1027237002 /nfs/dbraw/zinc/23/70/02/1027237002.db2.gz WKJLWOFCZCIIQP-CFVMTHIKSA-N 2 2 310.388 3.518 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931727690 1027237015 /nfs/dbraw/zinc/23/70/15/1027237015.db2.gz WKJLWOFCZCIIQP-CFVMTHIKSA-N 2 2 310.388 3.518 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931727690 1027237029 /nfs/dbraw/zinc/23/70/29/1027237029.db2.gz WKJLWOFCZCIIQP-CFVMTHIKSA-N 2 2 310.388 3.518 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931727690 1027237043 /nfs/dbraw/zinc/23/70/43/1027237043.db2.gz WKJLWOFCZCIIQP-CFVMTHIKSA-N 2 2 310.388 3.518 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(C3CCCC3)n2)C[C@H]1C[NH3+] ZINC000422634455 1027292377 /nfs/dbraw/zinc/29/23/77/1027292377.db2.gz JRHTYCXJBHXNQC-UMVBOHGHSA-N 2 2 307.507 3.606 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(C3CCCC3)n2)C[C@H]1C[NH3+] ZINC000422634455 1027292383 /nfs/dbraw/zinc/29/23/83/1027292383.db2.gz JRHTYCXJBHXNQC-UMVBOHGHSA-N 2 2 307.507 3.606 20 0 DHADLP Cc1sc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)nc1C(C)C ZINC000422718054 1027302031 /nfs/dbraw/zinc/30/20/31/1027302031.db2.gz WKPZFPNTBVGLHU-ZFWWWQNUSA-N 2 2 309.523 3.975 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(COCc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422856563 1027342845 /nfs/dbraw/zinc/34/28/45/1027342845.db2.gz GHNBNJGBQOWLMF-UWJYYQICSA-N 2 2 324.468 3.634 20 0 DHADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422881501 1027347682 /nfs/dbraw/zinc/34/76/82/1027347682.db2.gz YSNFEGIXTKISLN-LSDHHAIUSA-N 2 2 313.445 3.831 20 0 DHADLP CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422881498 1027348173 /nfs/dbraw/zinc/34/81/73/1027348173.db2.gz YSNFEGIXTKISLN-CABCVRRESA-N 2 2 313.445 3.831 20 0 DHADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)s1 ZINC000362709799 1027354241 /nfs/dbraw/zinc/35/42/41/1027354241.db2.gz GCXVGLRUPIJBAK-LBPRGKRZSA-N 2 2 321.515 3.828 20 0 DHADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422896923 1027363548 /nfs/dbraw/zinc/36/35/48/1027363548.db2.gz AZZFBQBWPGECKT-NEPJUHHUSA-N 2 2 309.866 3.699 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3c(F)cccc32)c2ccccc21 ZINC000423046307 1027394828 /nfs/dbraw/zinc/39/48/28/1027394828.db2.gz TZGTXSNSDVOOKB-FGTMMUONSA-N 2 2 312.388 3.774 20 0 DHADLP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000423131183 1027424533 /nfs/dbraw/zinc/42/45/33/1027424533.db2.gz ZNDBBKIAUYDXQW-KURKYZTESA-N 2 2 316.832 3.762 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1(c2ccccc2)CCCC1 ZINC000575166114 1027461935 /nfs/dbraw/zinc/46/19/35/1027461935.db2.gz YIYHOESHXYJAHS-AEFFLSMTSA-N 2 2 309.457 3.688 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423231362 1027467210 /nfs/dbraw/zinc/46/72/10/1027467210.db2.gz ATVRGYJKBZRRIG-FHWLQOOXSA-N 2 2 304.478 3.605 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OCc2ccccc2)cc1 ZINC000423231370 1027469148 /nfs/dbraw/zinc/46/91/48/1027469148.db2.gz GJNYMNVZTFQITR-QFBILLFUSA-N 2 2 310.441 3.668 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000423289398 1027483452 /nfs/dbraw/zinc/48/34/52/1027483452.db2.gz XDLJBGCVUSOEAL-LLVKDONJSA-N 2 2 308.372 3.829 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423300459 1027504361 /nfs/dbraw/zinc/50/43/61/1027504361.db2.gz RQZNSPRTRRYLOP-KOLCDFICSA-N 2 2 317.296 3.605 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000423304009 1027506402 /nfs/dbraw/zinc/50/64/02/1027506402.db2.gz XZJCWPKWSHTSQZ-VHSXEESVSA-N 2 2 305.285 3.679 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc2cc(Br)ccc2o1 ZINC000423335879 1027514860 /nfs/dbraw/zinc/51/48/60/1027514860.db2.gz UIMJCZPBBRHGEY-JTQLQIEISA-N 2 2 323.234 3.727 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423388655 1027529829 /nfs/dbraw/zinc/52/98/29/1027529829.db2.gz UMCNUWYIZLLCJW-HIFRSBDPSA-N 2 2 315.486 3.775 20 0 DHADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cnc2ccsc2c1 ZINC000423394842 1027535502 /nfs/dbraw/zinc/53/55/02/1027535502.db2.gz SDQRFEUQAQNLIC-BLLLJJGKSA-N 2 2 303.475 3.725 20 0 DHADLP C[C@H]([NH2+][C@H](C[NH3+])c1ccc2ccccc2c1)C1CCSCC1 ZINC000423405817 1027538544 /nfs/dbraw/zinc/53/85/44/1027538544.db2.gz TZGJMFTYBHZCAH-IFXJQAMLSA-N 2 2 314.498 3.961 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CCCc1cccnc1 ZINC000423505252 1027567064 /nfs/dbraw/zinc/56/70/64/1027567064.db2.gz OEMAYADGGNQQBE-UZLBHIALSA-N 2 2 311.473 3.645 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000423509552 1027567621 /nfs/dbraw/zinc/56/76/21/1027567621.db2.gz ROPKWDOMSRSWFY-UGSOOPFHSA-N 2 2 316.420 3.747 20 0 DHADLP CSC1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000296214997 1027575984 /nfs/dbraw/zinc/57/59/84/1027575984.db2.gz ZZFPLFFGIKGAIP-UHFFFAOYSA-N 2 2 307.850 3.511 20 0 DHADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2CC)s1 ZINC000423515868 1027578650 /nfs/dbraw/zinc/57/86/50/1027578650.db2.gz XNIDOGCQHMQIKD-WBMJQRKESA-N 2 2 317.502 3.927 20 0 DHADLP Cc1cccc(NC2CC[NH+](Cc3nc4ccccc4o3)CC2)[nH+]1 ZINC000363639093 1027707179 /nfs/dbraw/zinc/70/71/79/1027707179.db2.gz WBCFBVZPLDPQDD-UHFFFAOYSA-N 2 2 322.412 3.608 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@@H]1C ZINC000813863971 1027735619 /nfs/dbraw/zinc/73/56/19/1027735619.db2.gz MSMAGNIDLTUDBJ-CLCXKQKWSA-N 2 2 301.478 3.673 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCc2cccnc21 ZINC000364306317 1027808825 /nfs/dbraw/zinc/80/88/25/1027808825.db2.gz FJGOHWUMJKCWRK-LJQANCHMSA-N 2 2 318.424 3.777 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCc2cccnc21 ZINC000364306317 1027808852 /nfs/dbraw/zinc/80/88/52/1027808852.db2.gz FJGOHWUMJKCWRK-LJQANCHMSA-N 2 2 318.424 3.777 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527806860 1027892554 /nfs/dbraw/zinc/89/25/54/1027892554.db2.gz FXPNOXHJDLRLQL-IPYPFGDCSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527806860 1027892568 /nfs/dbraw/zinc/89/25/68/1027892568.db2.gz FXPNOXHJDLRLQL-IPYPFGDCSA-N 2 2 304.400 3.714 20 0 DHADLP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527807959 1027894274 /nfs/dbraw/zinc/89/42/74/1027894274.db2.gz OGVNHVJTZKXXDU-SFHVURJKSA-N 2 2 302.462 3.580 20 0 DHADLP CC(C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527807959 1027894299 /nfs/dbraw/zinc/89/42/99/1027894299.db2.gz OGVNHVJTZKXXDU-SFHVURJKSA-N 2 2 302.462 3.580 20 0 DHADLP c1cncc(-c2cccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)c2)c1 ZINC000527812294 1027900019 /nfs/dbraw/zinc/90/00/19/1027900019.db2.gz ZPLKTCFFTZVURK-NRFANRHFSA-N 2 2 321.468 3.855 20 0 DHADLP c1cncc(-c2cccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)c2)c1 ZINC000527812294 1027900028 /nfs/dbraw/zinc/90/00/28/1027900028.db2.gz ZPLKTCFFTZVURK-NRFANRHFSA-N 2 2 321.468 3.855 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000527796240 1027901986 /nfs/dbraw/zinc/90/19/86/1027901986.db2.gz MAVNZDUGMIYBPJ-MRXNPFEDSA-N 2 2 301.821 3.578 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C2)c1 ZINC000527806048 1027907351 /nfs/dbraw/zinc/90/73/51/1027907351.db2.gz COBFBIOYFQFGFS-POAQFYNOSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C2)c1 ZINC000527806048 1027907359 /nfs/dbraw/zinc/90/73/59/1027907359.db2.gz COBFBIOYFQFGFS-POAQFYNOSA-N 2 2 313.489 3.714 20 0 DHADLP CCC[N@H+](Cc1ccncc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189925 1027922777 /nfs/dbraw/zinc/92/27/77/1027922777.db2.gz ROTQJVSXIZPCSX-UHFFFAOYSA-N 2 2 323.484 3.958 20 0 DHADLP CCC[N@@H+](Cc1ccncc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189925 1027922785 /nfs/dbraw/zinc/92/27/85/1027922785.db2.gz ROTQJVSXIZPCSX-UHFFFAOYSA-N 2 2 323.484 3.958 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CC12CC2 ZINC000527898141 1027948053 /nfs/dbraw/zinc/94/80/53/1027948053.db2.gz UTGPVZSCFAKNJJ-VYESFELBSA-N 2 2 316.411 3.570 20 0 DHADLP c1cncc([C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C2CCC2)c1 ZINC000527954143 1027985194 /nfs/dbraw/zinc/98/51/94/1027985194.db2.gz YPYIDBDXVLIYTK-WOJBJXKFSA-N 2 2 313.489 3.919 20 0 DHADLP c1cncc([C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C2CCC2)c1 ZINC000527954143 1027985212 /nfs/dbraw/zinc/98/52/12/1027985212.db2.gz YPYIDBDXVLIYTK-WOJBJXKFSA-N 2 2 313.489 3.919 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527981509 1028003161 /nfs/dbraw/zinc/00/31/61/1028003161.db2.gz KFBNTHWMJFQFIW-HBFSDRIKSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527981509 1028003180 /nfs/dbraw/zinc/00/31/80/1028003180.db2.gz KFBNTHWMJFQFIW-HBFSDRIKSA-N 2 2 313.489 3.628 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc3c(c1)CCC3)CCC2 ZINC000366211325 1028061483 /nfs/dbraw/zinc/06/14/83/1028061483.db2.gz RVPTYSYFJOMFHB-BEFAXECRSA-N 2 2 309.457 3.908 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(OC)cc1 ZINC000528015802 1028062021 /nfs/dbraw/zinc/06/20/21/1028062021.db2.gz YWNFTOBIXDHCNI-HKUYNNGSSA-N 2 2 302.462 3.753 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(OC)cc1 ZINC000528015802 1028062032 /nfs/dbraw/zinc/06/20/32/1028062032.db2.gz YWNFTOBIXDHCNI-HKUYNNGSSA-N 2 2 302.462 3.753 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1F ZINC000366213798 1028064404 /nfs/dbraw/zinc/06/44/04/1028064404.db2.gz YZYYWFOXTBDRPG-ZFWWWQNUSA-N 2 2 317.408 3.567 20 0 DHADLP Fc1cccc2c1SCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366435140 1028079278 /nfs/dbraw/zinc/07/92/78/1028079278.db2.gz SFPGJXMHUCUPIP-MQBCKMQZSA-N 2 2 320.477 3.969 20 0 DHADLP COc1cc(C[NH2+]CCCCn2cc[nH+]c2)cc2ccccc21 ZINC000578411558 1028144105 /nfs/dbraw/zinc/14/41/05/1028144105.db2.gz KEESKEGPJUDOET-UHFFFAOYSA-N 2 2 309.413 3.615 20 0 DHADLP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000367573608 1028208183 /nfs/dbraw/zinc/20/81/83/1028208183.db2.gz FKYJZDIQENLLHE-PXAZEXFGSA-N 2 2 306.425 3.500 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccc(-c3ccccc3)cc1)C2 ZINC000368081220 1028296069 /nfs/dbraw/zinc/29/60/69/1028296069.db2.gz KUVYSWMRPWONPE-SFHVURJKSA-N 2 2 303.409 3.724 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000449024946 1028297300 /nfs/dbraw/zinc/29/73/00/1028297300.db2.gz AJXGAIWOOZMWRG-HNAYVOBHSA-N 2 2 312.457 3.763 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000449024946 1028297310 /nfs/dbraw/zinc/29/73/10/1028297310.db2.gz AJXGAIWOOZMWRG-HNAYVOBHSA-N 2 2 312.457 3.763 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449024946 1028297317 /nfs/dbraw/zinc/29/73/17/1028297317.db2.gz AJXGAIWOOZMWRG-HNAYVOBHSA-N 2 2 312.457 3.763 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449024946 1028297323 /nfs/dbraw/zinc/29/73/23/1028297323.db2.gz AJXGAIWOOZMWRG-HNAYVOBHSA-N 2 2 312.457 3.763 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(SC(F)F)cc1 ZINC000368101984 1028300121 /nfs/dbraw/zinc/30/01/21/1028300121.db2.gz MDKWQLDZMCGFIW-ZYHUDNBSSA-N 2 2 323.412 3.933 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103805 1028302367 /nfs/dbraw/zinc/30/23/67/1028302367.db2.gz YVIGJEWKJWRBBI-BXUZGUMPSA-N 2 2 323.362 3.507 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103920 1028302988 /nfs/dbraw/zinc/30/29/88/1028302988.db2.gz ZHCBZWYGQLUXPB-BXUZGUMPSA-N 2 2 323.362 3.507 20 0 DHADLP CSC1(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000368229036 1028322928 /nfs/dbraw/zinc/32/29/28/1028322928.db2.gz SKIHJOLBVFRSRN-OAHLLOKOSA-N 2 2 319.518 3.685 20 0 DHADLP CSC1(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000368229036 1028322947 /nfs/dbraw/zinc/32/29/47/1028322947.db2.gz SKIHJOLBVFRSRN-OAHLLOKOSA-N 2 2 319.518 3.685 20 0 DHADLP CC(C)c1[nH+]c(CNc2ccc3c(c2)[nH+]cn3C)c2ccccn21 ZINC000579131957 1028331125 /nfs/dbraw/zinc/33/11/25/1028331125.db2.gz IMXMRKOGIIJECW-UHFFFAOYSA-N 2 2 319.412 3.957 20 0 DHADLP Cc1csc(C[N@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)n1 ZINC000368548452 1028369187 /nfs/dbraw/zinc/36/91/87/1028369187.db2.gz OIFREIKPHDZDDH-AWEZNQCLSA-N 2 2 304.463 3.609 20 0 DHADLP Cc1csc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)n1 ZINC000368548452 1028369205 /nfs/dbraw/zinc/36/92/05/1028369205.db2.gz OIFREIKPHDZDDH-AWEZNQCLSA-N 2 2 304.463 3.609 20 0 DHADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000449155887 1028408634 /nfs/dbraw/zinc/40/86/34/1028408634.db2.gz CHYZQHLDPGFXFI-CJNGLKHVSA-N 2 2 321.515 3.686 20 0 DHADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000449155887 1028408643 /nfs/dbraw/zinc/40/86/43/1028408643.db2.gz CHYZQHLDPGFXFI-CJNGLKHVSA-N 2 2 321.515 3.686 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)c1ccc(Cl)cc1 ZINC000369390822 1028485217 /nfs/dbraw/zinc/48/52/17/1028485217.db2.gz FKLNFLAQMZHIDQ-JKSUJKDBSA-N 2 2 303.837 3.901 20 0 DHADLP CC1(C)CC(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000528488560 1028492018 /nfs/dbraw/zinc/49/20/18/1028492018.db2.gz CNWZPDYJBJAECN-INIZCTEOSA-N 2 2 301.478 3.835 20 0 DHADLP CC1(C)CC(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000528488560 1028492020 /nfs/dbraw/zinc/49/20/20/1028492020.db2.gz CNWZPDYJBJAECN-INIZCTEOSA-N 2 2 301.478 3.835 20 0 DHADLP c1cn(CCCS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000564965812 1028523188 /nfs/dbraw/zinc/52/31/88/1028523188.db2.gz MCEUKRBFPLCHOT-GOSISDBHSA-N 2 2 315.486 3.671 20 0 DHADLP c1cn(CCCS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000564965812 1028523192 /nfs/dbraw/zinc/52/31/92/1028523192.db2.gz MCEUKRBFPLCHOT-GOSISDBHSA-N 2 2 315.486 3.671 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC000369808703 1028532060 /nfs/dbraw/zinc/53/20/60/1028532060.db2.gz MWZYKBXBVIHPAD-OAHLLOKOSA-N 2 2 318.852 3.720 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC000369808703 1028532073 /nfs/dbraw/zinc/53/20/73/1028532073.db2.gz MWZYKBXBVIHPAD-OAHLLOKOSA-N 2 2 318.852 3.720 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000449327812 1028538174 /nfs/dbraw/zinc/53/81/74/1028538174.db2.gz CTDSOGIGERNIKX-AZUAARDMSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000449327812 1028538179 /nfs/dbraw/zinc/53/81/79/1028538179.db2.gz CTDSOGIGERNIKX-AZUAARDMSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000449327812 1028538186 /nfs/dbraw/zinc/53/81/86/1028538186.db2.gz CTDSOGIGERNIKX-AZUAARDMSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000449327812 1028538191 /nfs/dbraw/zinc/53/81/91/1028538191.db2.gz CTDSOGIGERNIKX-AZUAARDMSA-N 2 2 324.468 3.765 20 0 DHADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000449329264 1028538278 /nfs/dbraw/zinc/53/82/78/1028538278.db2.gz IBEMHQJTLGRCST-YSGRDPCXSA-N 2 2 321.424 3.926 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)c1cccc(Cl)c1 ZINC000369881053 1028541926 /nfs/dbraw/zinc/54/19/26/1028541926.db2.gz DXJIICJMIDHJPD-HZPDHXFCSA-N 2 2 303.837 3.901 20 0 DHADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1 ZINC001170792098 1028544420 /nfs/dbraw/zinc/54/44/20/1028544420.db2.gz GJAMWFSMGXLGOR-HSALFYBXSA-N 2 2 310.441 3.586 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccncc4)C3)C2)cc1 ZINC000370057036 1028558233 /nfs/dbraw/zinc/55/82/33/1028558233.db2.gz UPMVNOVJLGUQBG-OAQYLSRUSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2)cc1 ZINC000370057036 1028558246 /nfs/dbraw/zinc/55/82/46/1028558246.db2.gz UPMVNOVJLGUQBG-OAQYLSRUSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccncc4)C3)C2)cc1 ZINC000370057036 1028558253 /nfs/dbraw/zinc/55/82/53/1028558253.db2.gz UPMVNOVJLGUQBG-OAQYLSRUSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccncc4)C3)C2)cc1 ZINC000370057036 1028558266 /nfs/dbraw/zinc/55/82/66/1028558266.db2.gz UPMVNOVJLGUQBG-OAQYLSRUSA-N 2 2 321.468 3.570 20 0 DHADLP CC(C)[N@H+](Cc1cc(F)c(F)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206591752 1028604222 /nfs/dbraw/zinc/60/42/22/1028604222.db2.gz VTZZLJMQIQTGSH-ZDUSSCGKSA-N 2 2 316.823 3.971 20 0 DHADLP CC(C)[N@@H+](Cc1cc(F)c(F)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001206591752 1028604226 /nfs/dbraw/zinc/60/42/26/1028604226.db2.gz VTZZLJMQIQTGSH-ZDUSSCGKSA-N 2 2 316.823 3.971 20 0 DHADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000565683912 1028619863 /nfs/dbraw/zinc/61/98/63/1028619863.db2.gz NTSIOUUUBJZORT-IERDGZPVSA-N 2 2 322.452 3.763 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC(C)(C)C1 ZINC000370636875 1028629940 /nfs/dbraw/zinc/62/99/40/1028629940.db2.gz VJYLPZOSMABVPV-WNHJNPCNSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC(C)(C)C1 ZINC000370636875 1028629949 /nfs/dbraw/zinc/62/99/49/1028629949.db2.gz VJYLPZOSMABVPV-WNHJNPCNSA-N 2 2 315.505 3.879 20 0 DHADLP CCC[N@H+](Cc1ncc(-c2ccccc2C)o1)C1CC[NH2+]CC1 ZINC000566303954 1028699786 /nfs/dbraw/zinc/69/97/86/1028699786.db2.gz ODUNFABIZNCAAQ-UHFFFAOYSA-N 2 2 313.445 3.614 20 0 DHADLP CCC[N@@H+](Cc1ncc(-c2ccccc2C)o1)C1CC[NH2+]CC1 ZINC000566303954 1028699799 /nfs/dbraw/zinc/69/97/99/1028699799.db2.gz ODUNFABIZNCAAQ-UHFFFAOYSA-N 2 2 313.445 3.614 20 0 DHADLP Fc1ccc(C[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000566410550 1028720243 /nfs/dbraw/zinc/72/02/43/1028720243.db2.gz BKRJNRARJRGKNC-FQEVSTJZSA-N 2 2 323.415 3.986 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)c2nccn21 ZINC000449574261 1028819746 /nfs/dbraw/zinc/81/97/46/1028819746.db2.gz UFARZYQBCISITO-LPHOPBHVSA-N 2 2 324.472 3.665 20 0 DHADLP COc1ccc2oc([C@@H](C)[NH2+]Cc3c[nH+]c(C)n3C)c(C)c2c1 ZINC000567063190 1028826505 /nfs/dbraw/zinc/82/65/05/1028826505.db2.gz RGTHVCRHGKBZLA-GFCCVEGCSA-N 2 2 313.401 3.643 20 0 DHADLP CSc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000372590027 1028875954 /nfs/dbraw/zinc/87/59/54/1028875954.db2.gz VCMVYRBWFVBNSD-HNNXBMFYSA-N 2 2 301.459 3.581 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)c(Cl)cc1O ZINC000192847346 1028908778 /nfs/dbraw/zinc/90/87/78/1028908778.db2.gz HKYFISPHUSCGHF-QWRGUYRKSA-N 2 2 317.260 3.691 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)c(Cl)cc1O ZINC000192847346 1028908789 /nfs/dbraw/zinc/90/87/89/1028908789.db2.gz HKYFISPHUSCGHF-QWRGUYRKSA-N 2 2 317.260 3.691 20 0 DHADLP CC(C)c1[nH+]c(CNc2ccc(N(C)C)c[nH+]2)c2ccccn21 ZINC000567594919 1028926217 /nfs/dbraw/zinc/92/62/17/1028926217.db2.gz LGPBJSSPDUWJTH-UHFFFAOYSA-N 2 2 309.417 3.531 20 0 DHADLP CC[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(C)C ZINC000373487572 1029059181 /nfs/dbraw/zinc/05/91/81/1029059181.db2.gz WLNFGSALBVTGNX-YMAMQOFZSA-N 2 2 306.416 3.816 20 0 DHADLP CC1(C)CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373493541 1029063417 /nfs/dbraw/zinc/06/34/17/1029063417.db2.gz IMFSHVOAOHEAAD-WLYUNCDWSA-N 2 2 318.427 3.960 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000568452741 1029070796 /nfs/dbraw/zinc/07/07/96/1029070796.db2.gz MJYXJMWGUWCTMZ-GDBMZVCRSA-N 2 2 313.445 3.797 20 0 DHADLP COC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000373518802 1029071110 /nfs/dbraw/zinc/07/11/10/1029071110.db2.gz DPADYEYCBLJNIJ-ABHNRTSZSA-N 2 2 322.880 3.634 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)CC1(C)C ZINC000623400086 1029077743 /nfs/dbraw/zinc/07/77/43/1029077743.db2.gz INACWMHDSJWJNN-OALUTQOASA-N 2 2 309.457 3.633 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)CC1(C)C ZINC000623400086 1029077754 /nfs/dbraw/zinc/07/77/54/1029077754.db2.gz INACWMHDSJWJNN-OALUTQOASA-N 2 2 309.457 3.633 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccnc2)CC1(C)C ZINC000623400088 1029078619 /nfs/dbraw/zinc/07/86/19/1029078619.db2.gz INACWMHDSJWJNN-RTBURBONSA-N 2 2 309.457 3.633 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccnc2)CC1(C)C ZINC000623400088 1029078629 /nfs/dbraw/zinc/07/86/29/1029078629.db2.gz INACWMHDSJWJNN-RTBURBONSA-N 2 2 309.457 3.633 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411248010 1029081434 /nfs/dbraw/zinc/08/14/34/1029081434.db2.gz SRMQISGITZYZBJ-FGTMMUONSA-N 2 2 313.420 3.778 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411248010 1029081451 /nfs/dbraw/zinc/08/14/51/1029081451.db2.gz SRMQISGITZYZBJ-FGTMMUONSA-N 2 2 313.420 3.778 20 0 DHADLP C[C@@H](C[NH+](C)C)[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000569883569 1029278939 /nfs/dbraw/zinc/27/89/39/1029278939.db2.gz RWJSGFPUXHSMAP-AWEZNQCLSA-N 2 2 318.411 3.636 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCc1ccc(C)cc1)CCC2 ZINC000374578212 1029393218 /nfs/dbraw/zinc/39/32/18/1029393218.db2.gz URRUURLPPIHHKR-QFBILLFUSA-N 2 2 311.473 3.988 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629660622 1029411518 /nfs/dbraw/zinc/41/15/18/1029411518.db2.gz WNQBFUFXWBYXTJ-MAUKXSAKSA-N 2 2 310.441 3.592 20 0 DHADLP CC(C)C[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CC1 ZINC000374944170 1029507344 /nfs/dbraw/zinc/50/73/44/1029507344.db2.gz JNKCFVYFOSZQIM-UHFFFAOYSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)C[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CC1 ZINC000374944170 1029507352 /nfs/dbraw/zinc/50/73/52/1029507352.db2.gz JNKCFVYFOSZQIM-UHFFFAOYSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)C[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CC1 ZINC000374944170 1029507360 /nfs/dbraw/zinc/50/73/60/1029507360.db2.gz JNKCFVYFOSZQIM-UHFFFAOYSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)C[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C1CC1 ZINC000374944170 1029507370 /nfs/dbraw/zinc/50/73/70/1029507370.db2.gz JNKCFVYFOSZQIM-UHFFFAOYSA-N 2 2 307.507 3.530 20 0 DHADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc(C)c1O ZINC000390552288 1029640456 /nfs/dbraw/zinc/64/04/56/1029640456.db2.gz DENCJNYPLZBOHV-HXUWFJFHSA-N 2 2 324.468 3.763 20 0 DHADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc(C)c1O ZINC000390552288 1029640458 /nfs/dbraw/zinc/64/04/58/1029640458.db2.gz DENCJNYPLZBOHV-HXUWFJFHSA-N 2 2 324.468 3.763 20 0 DHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)CC(C)C)[C@@H]1c1cnn(C)c1 ZINC000450795179 1029654716 /nfs/dbraw/zinc/65/47/16/1029654716.db2.gz TUAFNDGITNHGSK-ZIFCJYIRSA-N 2 2 320.525 3.560 20 0 DHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)CC(C)C)[C@@H]1c1cnn(C)c1 ZINC000450795179 1029654723 /nfs/dbraw/zinc/65/47/23/1029654723.db2.gz TUAFNDGITNHGSK-ZIFCJYIRSA-N 2 2 320.525 3.560 20 0 DHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)CC(C)C)[C@@H]1c1cnn(C)c1 ZINC000450795179 1029654732 /nfs/dbraw/zinc/65/47/32/1029654732.db2.gz TUAFNDGITNHGSK-ZIFCJYIRSA-N 2 2 320.525 3.560 20 0 DHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)CC(C)C)[C@@H]1c1cnn(C)c1 ZINC000450795179 1029654738 /nfs/dbraw/zinc/65/47/38/1029654738.db2.gz TUAFNDGITNHGSK-ZIFCJYIRSA-N 2 2 320.525 3.560 20 0 DHADLP C[N@H+](CCC1=CCCCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450792979 1029654839 /nfs/dbraw/zinc/65/48/39/1029654839.db2.gz OSDXLICHWRMVGU-PMACEKPBSA-N 2 2 313.489 3.897 20 0 DHADLP C[N@@H+](CCC1=CCCCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450792979 1029654852 /nfs/dbraw/zinc/65/48/52/1029654852.db2.gz OSDXLICHWRMVGU-PMACEKPBSA-N 2 2 313.489 3.897 20 0 DHADLP C[NH+](CCC1=CCCCC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000450792979 1029654861 /nfs/dbraw/zinc/65/48/61/1029654861.db2.gz OSDXLICHWRMVGU-PMACEKPBSA-N 2 2 313.489 3.897 20 0 DHADLP C[NH+](CCC1=CCCCC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000450792979 1029654872 /nfs/dbraw/zinc/65/48/72/1029654872.db2.gz OSDXLICHWRMVGU-PMACEKPBSA-N 2 2 313.489 3.897 20 0 DHADLP FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000450929258 1029740377 /nfs/dbraw/zinc/74/03/77/1029740377.db2.gz UBRXOIGJEBHLSX-LSDHHAIUSA-N 2 2 323.431 3.834 20 0 DHADLP FC1(F)CC[C@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000450929258 1029740385 /nfs/dbraw/zinc/74/03/85/1029740385.db2.gz UBRXOIGJEBHLSX-LSDHHAIUSA-N 2 2 323.431 3.834 20 0 DHADLP Cc1ccccc1C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccco1 ZINC000820806081 1029769412 /nfs/dbraw/zinc/76/94/12/1029769412.db2.gz ZUZQJCVGMOJMNN-GOSISDBHSA-N 2 2 309.413 3.748 20 0 DHADLP c1cc2c(s1)C[NH+](CCC[N@@H+]1CCc3ccsc3C1)CC2 ZINC000121564459 1029784493 /nfs/dbraw/zinc/78/44/93/1029784493.db2.gz QTLNPUYVSPNIHE-UHFFFAOYSA-N 2 2 318.511 3.616 20 0 DHADLP c1cc2c(s1)C[NH+](CCC[N@H+]1CCc3ccsc3C1)CC2 ZINC000121564459 1029784500 /nfs/dbraw/zinc/78/45/00/1029784500.db2.gz QTLNPUYVSPNIHE-UHFFFAOYSA-N 2 2 318.511 3.616 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290315152 1029991022 /nfs/dbraw/zinc/99/10/22/1029991022.db2.gz CMRJWAWXGBBPQY-UHFFFAOYSA-N 2 2 315.314 3.563 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290315152 1029991034 /nfs/dbraw/zinc/99/10/34/1029991034.db2.gz CMRJWAWXGBBPQY-UHFFFAOYSA-N 2 2 315.314 3.563 20 0 DHADLP Cc1ncsc1C[NH2+][C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000290585314 1030117792 /nfs/dbraw/zinc/11/77/92/1030117792.db2.gz UWGZQPDYJUGANB-AEFFLSMTSA-N 2 2 324.453 3.666 20 0 DHADLP Cc1ncsc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000290585326 1030117863 /nfs/dbraw/zinc/11/78/63/1030117863.db2.gz UWGZQPDYJUGANB-SJLPKXTDSA-N 2 2 324.453 3.666 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000924650742 1030152434 /nfs/dbraw/zinc/15/24/34/1030152434.db2.gz UEWGHOMURXTITQ-DYESRHJHSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000924650742 1030152439 /nfs/dbraw/zinc/15/24/39/1030152439.db2.gz UEWGHOMURXTITQ-DYESRHJHSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000924650749 1030153173 /nfs/dbraw/zinc/15/31/73/1030153173.db2.gz UEWGHOMURXTITQ-UWJYYQICSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000924650749 1030153178 /nfs/dbraw/zinc/15/31/78/1030153178.db2.gz UEWGHOMURXTITQ-UWJYYQICSA-N 2 2 321.468 3.553 20 0 DHADLP C[C@@H](CCc1cncc2ccccc21)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000866262537 1030185115 /nfs/dbraw/zinc/18/51/15/1030185115.db2.gz BMHWBJLRVYADJM-JXFKEZNVSA-N 2 2 323.484 3.630 20 0 DHADLP C[C@@H](CCc1cncc2ccccc21)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000866262537 1030185127 /nfs/dbraw/zinc/18/51/27/1030185127.db2.gz BMHWBJLRVYADJM-JXFKEZNVSA-N 2 2 323.484 3.630 20 0 DHADLP CC1CC[NH+](CC[NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171012308 1030243878 /nfs/dbraw/zinc/24/38/78/1030243878.db2.gz ONQPNZALZHTXSV-INIZCTEOSA-N 2 2 306.881 3.519 20 0 DHADLP Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000358001180 1030274720 /nfs/dbraw/zinc/27/47/20/1030274720.db2.gz DPWGYGCQXWKXKX-HXUWFJFHSA-N 2 2 321.399 3.848 20 0 DHADLP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000925134081 1030280787 /nfs/dbraw/zinc/28/07/87/1030280787.db2.gz OZOAPVMBLKOYGD-CQSZACIVSA-N 2 2 307.388 3.742 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cc(-c2ccccc2)no1 ZINC000925170680 1030291719 /nfs/dbraw/zinc/29/17/19/1030291719.db2.gz MZMDOYHLKUMOIG-HOCLYGCPSA-N 2 2 322.412 3.766 20 0 DHADLP Cc1cccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c2ccccn2)c1 ZINC000925224128 1030311596 /nfs/dbraw/zinc/31/15/96/1030311596.db2.gz XVSASSFOQNBOPC-SBHAEUEKSA-N 2 2 323.484 3.942 20 0 DHADLP Clc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001171024369 1030365252 /nfs/dbraw/zinc/36/52/52/1030365252.db2.gz DQUVDOGQTLZXJG-HZPDHXFCSA-N 2 2 318.892 3.804 20 0 DHADLP Clc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001171024369 1030365268 /nfs/dbraw/zinc/36/52/68/1030365268.db2.gz DQUVDOGQTLZXJG-HZPDHXFCSA-N 2 2 318.892 3.804 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1nc(-c2ccccc2)cs1 ZINC000925591574 1030415111 /nfs/dbraw/zinc/41/51/11/1030415111.db2.gz CAWSUGLIHCATFO-APHBMKBZSA-N 2 2 313.470 3.731 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccccn2)c(C)c1 ZINC000358346071 1030448177 /nfs/dbraw/zinc/44/81/77/1030448177.db2.gz QGBCMAJEWYJHOX-FXAWDEMLSA-N 2 2 320.440 3.987 20 0 DHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171044519 1030468754 /nfs/dbraw/zinc/46/87/54/1030468754.db2.gz KYWXQYBNLBCIJT-INIZCTEOSA-N 2 2 306.881 3.613 20 0 DHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171044519 1030468757 /nfs/dbraw/zinc/46/87/57/1030468757.db2.gz KYWXQYBNLBCIJT-INIZCTEOSA-N 2 2 306.881 3.613 20 0 DHADLP CCC1([NH3+])CC[NH+]([C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000925756848 1030482012 /nfs/dbraw/zinc/48/20/12/1030482012.db2.gz AZFQBFZOAKQTTI-GOSISDBHSA-N 2 2 313.420 3.513 20 0 DHADLP CC(C)C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925796959 1030500835 /nfs/dbraw/zinc/50/08/35/1030500835.db2.gz NIQIQAPRKMCPLI-OALUTQOASA-N 2 2 316.489 3.522 20 0 DHADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925795797 1030501165 /nfs/dbraw/zinc/50/11/65/1030501165.db2.gz QFUIWXXFBIWWRE-VQIMIIECSA-N 2 2 316.489 3.619 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000358590415 1030550280 /nfs/dbraw/zinc/55/02/80/1030550280.db2.gz WMBMYBFEESZPPM-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000358590415 1030550293 /nfs/dbraw/zinc/55/02/93/1030550293.db2.gz WMBMYBFEESZPPM-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000358590415 1030550311 /nfs/dbraw/zinc/55/03/11/1030550311.db2.gz WMBMYBFEESZPPM-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000358590415 1030550321 /nfs/dbraw/zinc/55/03/21/1030550321.db2.gz WMBMYBFEESZPPM-AWEZNQCLSA-N 2 2 317.864 3.662 20 0 DHADLP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+]CCCn1cc[nH+]c1)C2 ZINC001171059682 1030585499 /nfs/dbraw/zinc/58/54/99/1030585499.db2.gz PVEWYNKOUNWZNC-CQSZACIVSA-N 2 2 324.255 3.727 20 0 DHADLP CCSCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072900585 1030586995 /nfs/dbraw/zinc/58/69/95/1030586995.db2.gz TWQJNICFEGRFLU-OAHLLOKOSA-N 2 2 303.475 3.836 20 0 DHADLP CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072900585 1030587007 /nfs/dbraw/zinc/58/70/07/1030587007.db2.gz TWQJNICFEGRFLU-OAHLLOKOSA-N 2 2 303.475 3.836 20 0 DHADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926120075 1030626230 /nfs/dbraw/zinc/62/62/30/1030626230.db2.gz UDHXQXIYLKIMJP-QRTARXTBSA-N 2 2 317.477 3.603 20 0 DHADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000926120075 1030626232 /nfs/dbraw/zinc/62/62/32/1030626232.db2.gz UDHXQXIYLKIMJP-QRTARXTBSA-N 2 2 317.477 3.603 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccc(Cl)cn2)C2CCCC2)CC1 ZINC001136933597 1030636382 /nfs/dbraw/zinc/63/63/82/1030636382.db2.gz VDZDMCLXCPFUCA-UHFFFAOYSA-N 2 2 307.869 3.574 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccc(Cl)cn2)C2CCCC2)CC1 ZINC001136933597 1030636388 /nfs/dbraw/zinc/63/63/88/1030636388.db2.gz VDZDMCLXCPFUCA-UHFFFAOYSA-N 2 2 307.869 3.574 20 0 DHADLP CCSc1cccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC000291789140 1030644102 /nfs/dbraw/zinc/64/41/02/1030644102.db2.gz VVRZBMLGTJRVEQ-UHFFFAOYSA-N 2 2 301.459 3.549 20 0 DHADLP Cc1ccc(-c2cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)on2)cc1 ZINC000246951093 1030665064 /nfs/dbraw/zinc/66/50/64/1030665064.db2.gz RCICKZJPNUIYCE-DOTOQJQBSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)on2)cc1 ZINC000246951093 1030665077 /nfs/dbraw/zinc/66/50/77/1030665077.db2.gz RCICKZJPNUIYCE-DOTOQJQBSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)on2)cc1 ZINC000246951093 1030665087 /nfs/dbraw/zinc/66/50/87/1030665087.db2.gz RCICKZJPNUIYCE-DOTOQJQBSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)on2)cc1 ZINC000246951093 1030665093 /nfs/dbraw/zinc/66/50/93/1030665093.db2.gz RCICKZJPNUIYCE-DOTOQJQBSA-N 2 2 313.445 3.565 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926354190 1030707343 /nfs/dbraw/zinc/70/73/43/1030707343.db2.gz NTSQVLDLSZXKLN-CRAIPNDOSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926354190 1030707356 /nfs/dbraw/zinc/70/73/56/1030707356.db2.gz NTSQVLDLSZXKLN-CRAIPNDOSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccccc1 ZINC000248031208 1030713941 /nfs/dbraw/zinc/71/39/41/1030713941.db2.gz QLDFKHKIHTXEDE-WIYYLYMNSA-N 2 2 323.484 3.514 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccccc1 ZINC000248031208 1030713955 /nfs/dbraw/zinc/71/39/55/1030713955.db2.gz QLDFKHKIHTXEDE-WIYYLYMNSA-N 2 2 323.484 3.514 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](Cc4ccccn4)CC[C@H]32)cc1 ZINC000248143501 1030718431 /nfs/dbraw/zinc/71/84/31/1030718431.db2.gz PWXMMDJRYSRONX-TZIWHRDSSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](Cc4ccccn4)CC[C@H]32)cc1 ZINC000248143501 1030718450 /nfs/dbraw/zinc/71/84/50/1030718450.db2.gz PWXMMDJRYSRONX-TZIWHRDSSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](Cc4ccccn4)CC[C@H]32)cc1 ZINC000248143501 1030718472 /nfs/dbraw/zinc/71/84/72/1030718472.db2.gz PWXMMDJRYSRONX-TZIWHRDSSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](Cc4ccccn4)CC[C@H]32)cc1 ZINC000248143501 1030718480 /nfs/dbraw/zinc/71/84/80/1030718480.db2.gz PWXMMDJRYSRONX-TZIWHRDSSA-N 2 2 321.468 3.568 20 0 DHADLP C[NH+](C)C1CCN(c2ccc([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000825401982 1030802820 /nfs/dbraw/zinc/80/28/20/1030802820.db2.gz ZFWAZWOIPDPGQB-UIAACRFSSA-N 2 2 313.489 3.818 20 0 DHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143804400 1030982096 /nfs/dbraw/zinc/98/20/96/1030982096.db2.gz RGIRHOLJNNNWBH-UHFFFAOYSA-N 2 2 308.775 3.742 20 0 DHADLP C[NH+](C)Cc1csc(C[NH2+][C@H](C2CCC2)C2CCCC2)n1 ZINC000926886638 1030968229 /nfs/dbraw/zinc/96/82/29/1030968229.db2.gz XMBLKZNTVVMKSF-KRWDZBQOSA-N 2 2 307.507 3.653 20 0 DHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171107361 1030972788 /nfs/dbraw/zinc/97/27/88/1030972788.db2.gz BAUARVATBQGQJS-ROUUACIJSA-N 2 2 306.881 3.517 20 0 DHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171107361 1030972777 /nfs/dbraw/zinc/97/27/77/1030972777.db2.gz BAUARVATBQGQJS-ROUUACIJSA-N 2 2 306.881 3.517 20 0 DHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143804400 1030982076 /nfs/dbraw/zinc/98/20/76/1030982076.db2.gz RGIRHOLJNNNWBH-UHFFFAOYSA-N 2 2 308.775 3.742 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000359591506 1031050314 /nfs/dbraw/zinc/05/03/14/1031050314.db2.gz LUBKTFNTXYKFEY-UKRRQHHQSA-N 2 2 308.491 3.552 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000359591506 1031050320 /nfs/dbraw/zinc/05/03/20/1031050320.db2.gz LUBKTFNTXYKFEY-UKRRQHHQSA-N 2 2 308.491 3.552 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927056001 1031052817 /nfs/dbraw/zinc/05/28/17/1031052817.db2.gz OWEMTNVMSDTMIN-DNVCBOLYSA-N 2 2 318.424 3.996 20 0 DHADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(Cl)c3Cl)C[C@H]21 ZINC000261770386 1031061847 /nfs/dbraw/zinc/06/18/47/1031061847.db2.gz DQRUBGAALHJVIM-JMJZKYOTSA-N 2 2 305.274 3.614 20 0 DHADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(Cl)c3Cl)C[C@H]21 ZINC000261770386 1031061866 /nfs/dbraw/zinc/06/18/66/1031061866.db2.gz DQRUBGAALHJVIM-JMJZKYOTSA-N 2 2 305.274 3.614 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261976490 1031084773 /nfs/dbraw/zinc/08/47/73/1031084773.db2.gz QVSJADMHIUDFTG-UKRRQHHQSA-N 2 2 322.880 3.688 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261976490 1031084789 /nfs/dbraw/zinc/08/47/89/1031084789.db2.gz QVSJADMHIUDFTG-UKRRQHHQSA-N 2 2 322.880 3.688 20 0 DHADLP CC(C)O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000292589058 1031086114 /nfs/dbraw/zinc/08/61/14/1031086114.db2.gz UYSOTYUEJLEGCU-VAMGGRTRSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000292589058 1031086132 /nfs/dbraw/zinc/08/61/32/1031086132.db2.gz UYSOTYUEJLEGCU-VAMGGRTRSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000292589058 1031086142 /nfs/dbraw/zinc/08/61/42/1031086142.db2.gz UYSOTYUEJLEGCU-VAMGGRTRSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000292589058 1031086147 /nfs/dbraw/zinc/08/61/47/1031086147.db2.gz UYSOTYUEJLEGCU-VAMGGRTRSA-N 2 2 316.489 3.569 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc2ccccc21 ZINC000927110201 1031094303 /nfs/dbraw/zinc/09/43/03/1031094303.db2.gz SWFIDRBNJWPGFT-APWZRJJASA-N 2 2 324.468 3.744 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)c1cccc2ccccc21 ZINC000927110201 1031094317 /nfs/dbraw/zinc/09/43/17/1031094317.db2.gz SWFIDRBNJWPGFT-APWZRJJASA-N 2 2 324.468 3.744 20 0 DHADLP Clc1cc2c(cc1Cl)C[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC001171133921 1031233340 /nfs/dbraw/zinc/23/33/40/1031233340.db2.gz RFWCMGFTFHUMMC-AWEZNQCLSA-N 2 2 324.255 3.727 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](COc2ccccc2)c2ccccc2)CC1 ZINC000537060925 1031492592 /nfs/dbraw/zinc/49/25/92/1031492592.db2.gz WKVRCWXHOFSFJS-NRFANRHFSA-N 2 2 324.468 3.881 20 0 DHADLP Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000397089631 1031658387 /nfs/dbraw/zinc/65/83/87/1031658387.db2.gz JEJMJAWLPCRTAG-INIZCTEOSA-N 2 2 306.413 3.735 20 0 DHADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925498027 1031716238 /nfs/dbraw/zinc/71/62/38/1031716238.db2.gz AZCMWEYBKOQFKD-HUUCEWRRSA-N 2 2 321.534 3.699 20 0 DHADLP c1cn(-c2csc(C[NH2+]C3CC(Nc4ccccc4)C3)c2)c[nH+]1 ZINC000873188359 1031749926 /nfs/dbraw/zinc/74/99/26/1031749926.db2.gz GHXOVBFZAAXOOP-UHFFFAOYSA-N 2 2 324.453 3.667 20 0 DHADLP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000361246225 1031812912 /nfs/dbraw/zinc/81/29/12/1031812912.db2.gz NLMKUTOPKITUPF-CQSZACIVSA-N 2 2 310.507 3.506 20 0 DHADLP Clc1sccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000361542692 1031979156 /nfs/dbraw/zinc/97/91/56/1031979156.db2.gz FZRLIWCDTXHVGD-DOMZBBRYSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1sccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000361542692 1031979129 /nfs/dbraw/zinc/97/91/29/1031979129.db2.gz FZRLIWCDTXHVGD-DOMZBBRYSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1sccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000361542692 1031979140 /nfs/dbraw/zinc/97/91/40/1031979140.db2.gz FZRLIWCDTXHVGD-DOMZBBRYSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1sccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000361542692 1031979148 /nfs/dbraw/zinc/97/91/48/1031979148.db2.gz FZRLIWCDTXHVGD-DOMZBBRYSA-N 2 2 310.894 3.850 20 0 DHADLP Cc1[nH]c(C[NH2+][C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000931069674 1032024210 /nfs/dbraw/zinc/02/42/10/1032024210.db2.gz HNKQRVAHFFPTMJ-IAGOWNOFSA-N 2 2 321.852 3.528 20 0 DHADLP Cc1[nH]c(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000931069675 1032025748 /nfs/dbraw/zinc/02/57/48/1032025748.db2.gz HNKQRVAHFFPTMJ-IRXDYDNUSA-N 2 2 321.852 3.528 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1sccc1Br ZINC000044532977 1032054813 /nfs/dbraw/zinc/05/48/13/1032054813.db2.gz DXZGJOMIRHMRHO-WDEREUQCSA-N 2 2 317.296 3.503 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1sccc1Br ZINC000044532977 1032054823 /nfs/dbraw/zinc/05/48/23/1032054823.db2.gz DXZGJOMIRHMRHO-WDEREUQCSA-N 2 2 317.296 3.503 20 0 DHADLP C[NH+](C)[C@@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCSC1 ZINC000539214160 1033298078 /nfs/dbraw/zinc/29/80/78/1033298078.db2.gz BEQRNEXNLPMMKC-IAGOWNOFSA-N 2 2 324.921 3.818 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2nc(Cl)ccc2s1 ZINC000877526370 1033338136 /nfs/dbraw/zinc/33/81/36/1033338136.db2.gz ARUIGJWXRJOTJH-UHFFFAOYSA-N 2 2 320.849 3.668 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2nc(Cl)ccc2s1 ZINC000877526370 1033338147 /nfs/dbraw/zinc/33/81/47/1033338147.db2.gz ARUIGJWXRJOTJH-UHFFFAOYSA-N 2 2 320.849 3.668 20 0 DHADLP COc1c(C)c[nH+]c(CNc2ccc(C[NH+](C)C)c(C)c2)c1C ZINC000877585718 1033370736 /nfs/dbraw/zinc/37/07/36/1033370736.db2.gz NZDVMCHSERVYNB-UHFFFAOYSA-N 2 2 313.445 3.689 20 0 DHADLP COc1ccc2oc([C@@H](C)[NH2+]CCCn3cc[nH+]c3)c(C)c2c1 ZINC000151139757 1033421259 /nfs/dbraw/zinc/42/12/59/1033421259.db2.gz GGKFLZNZBDKCKU-CQSZACIVSA-N 2 2 313.401 3.687 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H](C)c1nc2ccccc2s1 ZINC000151132213 1033421943 /nfs/dbraw/zinc/42/19/43/1033421943.db2.gz XUGKKRMSWJDGLQ-UONOGXRCSA-N 2 2 314.458 3.665 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172869644 1033440215 /nfs/dbraw/zinc/44/02/15/1033440215.db2.gz QTECTYDQROCEBA-CYBMUJFWSA-N 2 2 321.827 3.944 20 0 DHADLP Cn1c2ccccc2[nH+]c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212692557 1033464612 /nfs/dbraw/zinc/46/46/12/1033464612.db2.gz ZZYJXFXNJPNTLM-UHFFFAOYSA-N 2 2 303.369 3.562 20 0 DHADLP Cc1[nH+]c2ccccn2c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694286 1033488965 /nfs/dbraw/zinc/48/89/65/1033488965.db2.gz SEFORLBKNLQRMR-UHFFFAOYSA-N 2 2 303.369 3.631 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC001173263202 1033636375 /nfs/dbraw/zinc/63/63/75/1033636375.db2.gz GWGZOWXBTGJOPG-LPHOPBHVSA-N 2 2 316.489 3.828 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC001173271497 1033640527 /nfs/dbraw/zinc/64/05/27/1033640527.db2.gz GTXLVTDSBLSADN-LPHOPBHVSA-N 2 2 316.489 3.828 20 0 DHADLP CCSC[C@@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001173300599 1033655539 /nfs/dbraw/zinc/65/55/39/1033655539.db2.gz MHFWKKRBRFGZGC-MRXNPFEDSA-N 2 2 306.519 3.724 20 0 DHADLP CCSC[C@@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001173300599 1033655546 /nfs/dbraw/zinc/65/55/46/1033655546.db2.gz MHFWKKRBRFGZGC-MRXNPFEDSA-N 2 2 306.519 3.724 20 0 DHADLP C([C@@H]1C[N@@H+]([C@H]2CCCC3(CCCCC3)C2)CCO1)[NH+]1CCCC1 ZINC001173348745 1033704356 /nfs/dbraw/zinc/70/43/56/1033704356.db2.gz LICQBTCYFASIND-RBUKOAKNSA-N 2 2 320.521 3.676 20 0 DHADLP C([C@@H]1C[N@H+]([C@H]2CCCC3(CCCCC3)C2)CCO1)[NH+]1CCCC1 ZINC001173348745 1033704369 /nfs/dbraw/zinc/70/43/69/1033704369.db2.gz LICQBTCYFASIND-RBUKOAKNSA-N 2 2 320.521 3.676 20 0 DHADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173541394 1033761072 /nfs/dbraw/zinc/76/10/72/1033761072.db2.gz ARSYPNYXMFGTNQ-NWDGAFQWSA-N 2 2 303.277 3.854 20 0 DHADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001173545627 1033762965 /nfs/dbraw/zinc/76/29/65/1033762965.db2.gz ZRAUMMRGNVOGID-OCCSQVGLSA-N 2 2 315.288 3.998 20 0 DHADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001173545627 1033762973 /nfs/dbraw/zinc/76/29/73/1033762973.db2.gz ZRAUMMRGNVOGID-OCCSQVGLSA-N 2 2 315.288 3.998 20 0 DHADLP Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667493243 1033765489 /nfs/dbraw/zinc/76/54/89/1033765489.db2.gz NRBODYOEVFUMBC-IBGZPJMESA-N 2 2 322.387 3.744 20 0 DHADLP Fc1ccc([C@@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667493243 1033765503 /nfs/dbraw/zinc/76/55/03/1033765503.db2.gz NRBODYOEVFUMBC-IBGZPJMESA-N 2 2 322.387 3.744 20 0 DHADLP CCOc1ccccc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479540228 1033800321 /nfs/dbraw/zinc/80/03/21/1033800321.db2.gz FVJMFPOUALTWQK-KLAILNCOSA-N 2 2 302.462 3.753 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)ccc1Cl ZINC000557522792 1033911232 /nfs/dbraw/zinc/91/12/32/1033911232.db2.gz BZZSWYRMEGILNC-XHDPSFHLSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)ccc1Cl ZINC000557522792 1033911242 /nfs/dbraw/zinc/91/12/42/1033911242.db2.gz BZZSWYRMEGILNC-XHDPSFHLSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)ccc1Cl ZINC000557522792 1033911248 /nfs/dbraw/zinc/91/12/48/1033911248.db2.gz BZZSWYRMEGILNC-XHDPSFHLSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)ccc1Cl ZINC000557522792 1033911258 /nfs/dbraw/zinc/91/12/58/1033911258.db2.gz BZZSWYRMEGILNC-XHDPSFHLSA-N 2 2 301.261 3.765 20 0 DHADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000175010608 1033973079 /nfs/dbraw/zinc/97/30/79/1033973079.db2.gz MTXCSHMBDZDLBF-VXGBXAGGSA-N 2 2 318.433 3.698 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000480093582 1034058613 /nfs/dbraw/zinc/05/86/13/1034058613.db2.gz PVJZAWOTQAOKPB-HZPDHXFCSA-N 2 2 312.457 3.983 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000480093582 1034058629 /nfs/dbraw/zinc/05/86/29/1034058629.db2.gz PVJZAWOTQAOKPB-HZPDHXFCSA-N 2 2 312.457 3.983 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000176915667 1034118979 /nfs/dbraw/zinc/11/89/79/1034118979.db2.gz KYBAAZSCXGQGJW-FXAWDEMLSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000176915667 1034118990 /nfs/dbraw/zinc/11/89/90/1034118990.db2.gz KYBAAZSCXGQGJW-FXAWDEMLSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000176915667 1034118995 /nfs/dbraw/zinc/11/89/95/1034118995.db2.gz KYBAAZSCXGQGJW-FXAWDEMLSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000176915667 1034119008 /nfs/dbraw/zinc/11/90/08/1034119008.db2.gz KYBAAZSCXGQGJW-FXAWDEMLSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000176915678 1034120292 /nfs/dbraw/zinc/12/02/92/1034120292.db2.gz KYBAAZSCXGQGJW-XLIONFOSSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000176915678 1034120295 /nfs/dbraw/zinc/12/02/95/1034120295.db2.gz KYBAAZSCXGQGJW-XLIONFOSSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000176915678 1034120301 /nfs/dbraw/zinc/12/03/01/1034120301.db2.gz KYBAAZSCXGQGJW-XLIONFOSSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000176915678 1034120306 /nfs/dbraw/zinc/12/03/06/1034120306.db2.gz KYBAAZSCXGQGJW-XLIONFOSSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]([NH2+]Cc1cn(C(F)F)c2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000863548301 1034125721 /nfs/dbraw/zinc/12/57/21/1034125721.db2.gz WWRRIIWBICEOTN-WFASDCNBSA-N 2 2 307.388 3.657 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(Cl)cn1 ZINC000480249899 1034153252 /nfs/dbraw/zinc/15/32/52/1034153252.db2.gz QPLWPTLFYMUGSX-ZNMIVQPWSA-N 2 2 309.885 3.754 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(Cl)cn1 ZINC000480249899 1034153260 /nfs/dbraw/zinc/15/32/60/1034153260.db2.gz QPLWPTLFYMUGSX-ZNMIVQPWSA-N 2 2 309.885 3.754 20 0 DHADLP c1cn(Cc2ccc(-c3ccc(C[C@@H]4CCC[NH2+]4)cc3)cc2)c[nH+]1 ZINC000863725123 1034184778 /nfs/dbraw/zinc/18/47/78/1034184778.db2.gz IMURMJOXEMEXDS-NRFANRHFSA-N 2 2 317.436 3.893 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1F ZINC001168362823 1034207256 /nfs/dbraw/zinc/20/72/56/1034207256.db2.gz KVQACJDWDZAPCD-GOSISDBHSA-N 2 2 308.416 3.880 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880321542 1034298131 /nfs/dbraw/zinc/29/81/31/1034298131.db2.gz WPZWPUKJYIZRSC-MRXNPFEDSA-N 2 2 324.453 3.627 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880321542 1034298145 /nfs/dbraw/zinc/29/81/45/1034298145.db2.gz WPZWPUKJYIZRSC-MRXNPFEDSA-N 2 2 324.453 3.627 20 0 DHADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)s2)cc1 ZINC000179639144 1034321765 /nfs/dbraw/zinc/32/17/65/1034321765.db2.gz ULOQYAFZGOJTPP-OAHLLOKOSA-N 2 2 315.486 3.502 20 0 DHADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)s2)cc1 ZINC000179639144 1034321775 /nfs/dbraw/zinc/32/17/75/1034321775.db2.gz ULOQYAFZGOJTPP-OAHLLOKOSA-N 2 2 315.486 3.502 20 0 DHADLP Clc1ccc2sc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000339069902 1034387251 /nfs/dbraw/zinc/38/72/51/1034387251.db2.gz YNPUGUXAKZMINM-OLZOCXBDSA-N 2 2 321.877 3.666 20 0 DHADLP Clc1ccc2sc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)nc2c1 ZINC000339069902 1034387266 /nfs/dbraw/zinc/38/72/66/1034387266.db2.gz YNPUGUXAKZMINM-OLZOCXBDSA-N 2 2 321.877 3.666 20 0 DHADLP CC(C)c1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000480663618 1034389453 /nfs/dbraw/zinc/38/94/53/1034389453.db2.gz LZPWVLIXYJHACC-UHFFFAOYSA-N 2 2 309.457 3.964 20 0 DHADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000480766281 1034437357 /nfs/dbraw/zinc/43/73/57/1034437357.db2.gz DSPITVMKGGOKEE-GFCCVEGCSA-N 2 2 319.276 3.612 20 0 DHADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000480766281 1034437363 /nfs/dbraw/zinc/43/73/63/1034437363.db2.gz DSPITVMKGGOKEE-GFCCVEGCSA-N 2 2 319.276 3.612 20 0 DHADLP Cc1c[nH+]ccc1Nc1cc[nH+]c2cc(Br)ccc12 ZINC001174536204 1034452545 /nfs/dbraw/zinc/45/25/45/1034452545.db2.gz KPGNIOZQRSPOPE-UHFFFAOYSA-N 2 2 314.186 3.866 20 0 DHADLP Cc1cncc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000184276434 1034460168 /nfs/dbraw/zinc/46/01/68/1034460168.db2.gz HKLZZMGZKFLPFD-SFHVURJKSA-N 2 2 323.484 3.748 20 0 DHADLP CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1cccnc1 ZINC000185083570 1034528510 /nfs/dbraw/zinc/52/85/10/1034528510.db2.gz NNXSFVJCDQLHJW-GOSISDBHSA-N 2 2 321.428 3.602 20 0 DHADLP COc1ccsc1[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000186149140 1034604781 /nfs/dbraw/zinc/60/47/81/1034604781.db2.gz FHLBKBSSVCYQMP-CYBMUJFWSA-N 2 2 305.447 3.695 20 0 DHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000865451237 1034653229 /nfs/dbraw/zinc/65/32/29/1034653229.db2.gz ZXGTYUFVLRRCPO-AWEZNQCLSA-N 2 2 309.523 3.651 20 0 DHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000865451237 1034653239 /nfs/dbraw/zinc/65/32/39/1034653239.db2.gz ZXGTYUFVLRRCPO-AWEZNQCLSA-N 2 2 309.523 3.651 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCc2cc3ccccc3s2)C[N@@H+]1C1CC1 ZINC000555614680 1034835866 /nfs/dbraw/zinc/83/58/66/1034835866.db2.gz NZFZDOIJPNSTOR-UKRRQHHQSA-N 2 2 300.471 3.659 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCc2cc3ccccc3s2)C[N@H+]1C1CC1 ZINC000555614680 1034835875 /nfs/dbraw/zinc/83/58/75/1034835875.db2.gz NZFZDOIJPNSTOR-UKRRQHHQSA-N 2 2 300.471 3.659 20 0 DHADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000481830365 1035001734 /nfs/dbraw/zinc/00/17/34/1035001734.db2.gz IKMOLWNFFLXTBD-ZCHDIUTGSA-N 2 2 310.844 3.597 20 0 DHADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C1 ZINC000481830365 1035001743 /nfs/dbraw/zinc/00/17/43/1035001743.db2.gz IKMOLWNFFLXTBD-ZCHDIUTGSA-N 2 2 310.844 3.597 20 0 DHADLP Cc1[nH+]c2ccc(N)cc2n1C1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175506071 1035017766 /nfs/dbraw/zinc/01/77/66/1035017766.db2.gz MSXJAFYPISOFRM-UHFFFAOYSA-N 2 2 318.424 3.674 20 0 DHADLP Cc1[nH+]c2ccc(N)cc2n1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506071 1035017771 /nfs/dbraw/zinc/01/77/71/1035017771.db2.gz MSXJAFYPISOFRM-UHFFFAOYSA-N 2 2 318.424 3.674 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)[N@H+](C)C1CC1 ZINC000481920627 1035033502 /nfs/dbraw/zinc/03/35/02/1035033502.db2.gz JYUSTWNLELDPOD-QWHCGFSZSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)[N@@H+](C)C1CC1 ZINC000481920627 1035033513 /nfs/dbraw/zinc/03/35/13/1035033513.db2.gz JYUSTWNLELDPOD-QWHCGFSZSA-N 2 2 314.395 3.709 20 0 DHADLP Cc1cccc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)[nH+]1 ZINC001175797349 1035108407 /nfs/dbraw/zinc/10/84/07/1035108407.db2.gz QEYLRPJKKBIBEV-UHFFFAOYSA-N 2 2 311.429 3.998 20 0 DHADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCCCC1 ZINC000482635810 1035155029 /nfs/dbraw/zinc/15/50/29/1035155029.db2.gz UPWCASCVEWAUCB-GOSISDBHSA-N 2 2 310.526 3.824 20 0 DHADLP C[NH+](C)CCOc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001176228068 1035227479 /nfs/dbraw/zinc/22/74/79/1035227479.db2.gz XMAMCXSCNQDUIW-UHFFFAOYSA-N 2 2 322.412 3.556 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176274258 1035232488 /nfs/dbraw/zinc/23/24/88/1035232488.db2.gz SPELNHLPRJHRDM-UONOGXRCSA-N 2 2 317.383 3.632 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176274258 1035232492 /nfs/dbraw/zinc/23/24/92/1035232492.db2.gz SPELNHLPRJHRDM-UONOGXRCSA-N 2 2 317.383 3.632 20 0 DHADLP CC(C)COc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483470559 1035271323 /nfs/dbraw/zinc/27/13/23/1035271323.db2.gz HDNJSYGFYYOOCD-HKUYNNGSSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)COc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483470559 1035271328 /nfs/dbraw/zinc/27/13/28/1035271328.db2.gz HDNJSYGFYYOOCD-HKUYNNGSSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)COc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483470559 1035271332 /nfs/dbraw/zinc/27/13/32/1035271332.db2.gz HDNJSYGFYYOOCD-HKUYNNGSSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)COc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483470559 1035271337 /nfs/dbraw/zinc/27/13/37/1035271337.db2.gz HDNJSYGFYYOOCD-HKUYNNGSSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000484467745 1035336297 /nfs/dbraw/zinc/33/62/97/1035336297.db2.gz ARUSXDQZAVNTDZ-CRAIPNDOSA-N 2 2 306.519 3.898 20 0 DHADLP CC(C)OCCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176985704 1035341368 /nfs/dbraw/zinc/34/13/68/1035341368.db2.gz YFRLOPRNYVQVIR-INIZCTEOSA-N 2 2 307.482 3.633 20 0 DHADLP CC(C)OCCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176985704 1035341372 /nfs/dbraw/zinc/34/13/72/1035341372.db2.gz YFRLOPRNYVQVIR-INIZCTEOSA-N 2 2 307.482 3.633 20 0 DHADLP Cc1oc(C(C)(C)C)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001177334130 1035364506 /nfs/dbraw/zinc/36/45/06/1035364506.db2.gz KXFWCSOPSASJQO-UHFFFAOYSA-N 2 2 304.478 3.850 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC001177425390 1035366776 /nfs/dbraw/zinc/36/67/76/1035366776.db2.gz UYGQCNWAKWICMV-QGZVFWFLSA-N 2 2 315.392 3.973 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]Cc2cc3ccncc3s2)c[nH+]1 ZINC001177492823 1035373806 /nfs/dbraw/zinc/37/38/06/1035373806.db2.gz WOZXCCXUQYGBMJ-UHFFFAOYSA-N 2 2 320.421 3.772 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC001177548480 1035380146 /nfs/dbraw/zinc/38/01/46/1035380146.db2.gz GLMGOGGOMQLQCY-MSOLQXFVSA-N 2 2 318.505 3.726 20 0 DHADLP CNc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001178408699 1035427979 /nfs/dbraw/zinc/42/79/79/1035427979.db2.gz FANGMGOHETZPAJ-HNNXBMFYSA-N 2 2 306.413 3.765 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001178639765 1035440413 /nfs/dbraw/zinc/44/04/13/1035440413.db2.gz FZIBMGGTVNBACC-RTBURBONSA-N 2 2 300.490 3.644 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001178639765 1035440415 /nfs/dbraw/zinc/44/04/15/1035440415.db2.gz FZIBMGGTVNBACC-RTBURBONSA-N 2 2 300.490 3.644 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001180786680 1035756431 /nfs/dbraw/zinc/75/64/31/1035756431.db2.gz IIPNCRQIRLAJBR-YFVAEKQCSA-N 2 2 323.484 3.868 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001180786680 1035756448 /nfs/dbraw/zinc/75/64/48/1035756448.db2.gz IIPNCRQIRLAJBR-YFVAEKQCSA-N 2 2 323.484 3.868 20 0 DHADLP CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001180786160 1035758737 /nfs/dbraw/zinc/75/87/37/1035758737.db2.gz CSRHWVKMEGJHNJ-KSZLIROESA-N 2 2 303.494 3.891 20 0 DHADLP CC[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001180786160 1035758756 /nfs/dbraw/zinc/75/87/56/1035758756.db2.gz CSRHWVKMEGJHNJ-KSZLIROESA-N 2 2 303.494 3.891 20 0 DHADLP Clc1c2ccccc2sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261676883 1035803845 /nfs/dbraw/zinc/80/38/45/1035803845.db2.gz GJEUJDRTWWRBFJ-RYUDHWBXSA-N 2 2 306.862 3.596 20 0 DHADLP Clc1c2ccccc2sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261676883 1035803866 /nfs/dbraw/zinc/80/38/66/1035803866.db2.gz GJEUJDRTWWRBFJ-RYUDHWBXSA-N 2 2 306.862 3.596 20 0 DHADLP Cc1ccccc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000539659989 1035815922 /nfs/dbraw/zinc/81/59/22/1035815922.db2.gz RMGBFRQPPTUKDW-WMZOPIPTSA-N 2 2 324.472 3.703 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001181436280 1035923936 /nfs/dbraw/zinc/92/39/36/1035923936.db2.gz OLEQBHHLTXBZGB-JTDSTZFVSA-N 2 2 318.505 3.897 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001181436280 1035923947 /nfs/dbraw/zinc/92/39/47/1035923947.db2.gz OLEQBHHLTXBZGB-JTDSTZFVSA-N 2 2 318.505 3.897 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC001181435713 1035924228 /nfs/dbraw/zinc/92/42/28/1035924228.db2.gz HFIDELUMQOIECG-VMWRSERWSA-N 2 2 304.453 3.782 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC001181435713 1035924236 /nfs/dbraw/zinc/92/42/36/1035924236.db2.gz HFIDELUMQOIECG-VMWRSERWSA-N 2 2 304.453 3.782 20 0 DHADLP Cc1ccc(F)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001205670683 1035969833 /nfs/dbraw/zinc/96/98/33/1035969833.db2.gz SANGFASEHLBSOD-UHFFFAOYSA-N 2 2 304.453 3.973 20 0 DHADLP Cc1ccc(F)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001205670683 1035969846 /nfs/dbraw/zinc/96/98/46/1035969846.db2.gz SANGFASEHLBSOD-UHFFFAOYSA-N 2 2 304.453 3.973 20 0 DHADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[N@H+](C)CCOC ZINC000540598731 1036111972 /nfs/dbraw/zinc/11/19/72/1036111972.db2.gz QPJGDJNJBJWLSE-HNNXBMFYSA-N 2 2 318.461 3.614 20 0 DHADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[N@@H+](C)CCOC ZINC000540598731 1036111981 /nfs/dbraw/zinc/11/19/81/1036111981.db2.gz QPJGDJNJBJWLSE-HNNXBMFYSA-N 2 2 318.461 3.614 20 0 DHADLP [NH3+]CCC1CC[NH+](Cc2c(F)ccc(Cl)c2Cl)CC1 ZINC001206500892 1036242488 /nfs/dbraw/zinc/24/24/88/1036242488.db2.gz STPCAMKGEBCSSI-UHFFFAOYSA-N 2 2 305.224 3.693 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4)s3)[C@H]2C1 ZINC000495108978 1036259525 /nfs/dbraw/zinc/25/95/25/1036259525.db2.gz NXOFIKXHRCRLHN-QAPCUYQASA-N 2 2 312.482 3.941 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccccc4)s3)[C@H]2C1 ZINC000495108978 1036259537 /nfs/dbraw/zinc/25/95/37/1036259537.db2.gz NXOFIKXHRCRLHN-QAPCUYQASA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4)s3)[C@H]2C1 ZINC000495108978 1036259540 /nfs/dbraw/zinc/25/95/40/1036259540.db2.gz NXOFIKXHRCRLHN-QAPCUYQASA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)s3)[C@H]2C1 ZINC000495108978 1036259553 /nfs/dbraw/zinc/25/95/53/1036259553.db2.gz NXOFIKXHRCRLHN-QAPCUYQASA-N 2 2 312.482 3.941 20 0 DHADLP CCc1cnc(C[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)s1 ZINC000541314024 1036290669 /nfs/dbraw/zinc/29/06/69/1036290669.db2.gz VPKJLCIMRJSYML-HOCLYGCPSA-N 2 2 309.523 3.696 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001182635248 1036403811 /nfs/dbraw/zinc/40/38/11/1036403811.db2.gz YHSQYONWPXUXCT-FHLIZLRMSA-N 2 2 306.881 3.878 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001182635248 1036403821 /nfs/dbraw/zinc/40/38/21/1036403821.db2.gz YHSQYONWPXUXCT-FHLIZLRMSA-N 2 2 306.881 3.878 20 0 DHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000541770182 1036428985 /nfs/dbraw/zinc/42/89/85/1036428985.db2.gz CWPMUNYVCYLHQG-WOMSROEHSA-N 2 2 320.427 3.642 20 0 DHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C/c2ccc(F)cc2F)C1 ZINC000541770182 1036428994 /nfs/dbraw/zinc/42/89/94/1036428994.db2.gz CWPMUNYVCYLHQG-WOMSROEHSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000541770182 1036429001 /nfs/dbraw/zinc/42/90/01/1036429001.db2.gz CWPMUNYVCYLHQG-WOMSROEHSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000541770182 1036429011 /nfs/dbraw/zinc/42/90/11/1036429011.db2.gz CWPMUNYVCYLHQG-WOMSROEHSA-N 2 2 320.427 3.642 20 0 DHADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cscc1Cl ZINC001183065470 1036515605 /nfs/dbraw/zinc/51/56/05/1036515605.db2.gz LRWCEWSIJOLBHT-WFASDCNBSA-N 2 2 300.899 3.954 20 0 DHADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cscc1Cl ZINC001183065470 1036515614 /nfs/dbraw/zinc/51/56/14/1036515614.db2.gz LRWCEWSIJOLBHT-WFASDCNBSA-N 2 2 300.899 3.954 20 0 DHADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001205263709 1036554947 /nfs/dbraw/zinc/55/49/47/1036554947.db2.gz BUWSXHHPBFLPDH-CQSZACIVSA-N 2 2 304.331 3.548 20 0 DHADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001205263709 1036554957 /nfs/dbraw/zinc/55/49/57/1036554957.db2.gz BUWSXHHPBFLPDH-CQSZACIVSA-N 2 2 304.331 3.548 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)C[N@H+](Cc2ccccc2)C1 ZINC001183846956 1036685333 /nfs/dbraw/zinc/68/53/33/1036685333.db2.gz WBOYMEFEAMEHIN-KPACCLEDSA-N 2 2 312.501 3.923 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)C[N@@H+](Cc2ccccc2)C1 ZINC001183846956 1036685340 /nfs/dbraw/zinc/68/53/40/1036685340.db2.gz WBOYMEFEAMEHIN-KPACCLEDSA-N 2 2 312.501 3.923 20 0 DHADLP CCCOc1cccc2c(NCC3CC[NH+](C)CC3)cc[nH+]c12 ZINC000492227548 1036787832 /nfs/dbraw/zinc/78/78/32/1036787832.db2.gz ZPHMZMGQOVDLOI-UHFFFAOYSA-N 2 2 313.445 3.777 20 0 DHADLP C[C@H](c1nccc2ccccc21)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001184364894 1036835131 /nfs/dbraw/zinc/83/51/31/1036835131.db2.gz YWSXTXXQJQMMLE-OAHLLOKOSA-N 2 2 320.440 3.909 20 0 DHADLP Fc1cc2[nH+]ccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2cc1Cl ZINC000570015876 1036874019 /nfs/dbraw/zinc/87/40/19/1036874019.db2.gz UCXTWUDWLCTHSX-NSHDSACASA-N 2 2 319.811 3.924 20 0 DHADLP Fc1cc2[nH+]ccc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2cc1Cl ZINC000570015876 1036874042 /nfs/dbraw/zinc/87/40/42/1036874042.db2.gz UCXTWUDWLCTHSX-NSHDSACASA-N 2 2 319.811 3.924 20 0 DHADLP Clc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)o1 ZINC000488512727 1037052467 /nfs/dbraw/zinc/05/24/67/1037052467.db2.gz IFGGFVMWACOWBV-MRXNPFEDSA-N 2 2 318.848 3.587 20 0 DHADLP Clc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000488512727 1037052481 /nfs/dbraw/zinc/05/24/81/1037052481.db2.gz IFGGFVMWACOWBV-MRXNPFEDSA-N 2 2 318.848 3.587 20 0 DHADLP CCO[C@H](C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001198791819 1037134715 /nfs/dbraw/zinc/13/47/15/1037134715.db2.gz ZQORLNGGYHDPNH-SJLPKXTDSA-N 2 2 319.493 3.633 20 0 DHADLP CCO[C@H](C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001198791819 1037134723 /nfs/dbraw/zinc/13/47/23/1037134723.db2.gz ZQORLNGGYHDPNH-SJLPKXTDSA-N 2 2 319.493 3.633 20 0 DHADLP C[C@H]1CN(c2cc[nH+]c3ccsc32)CC[N@@H+](C2CCC2)C1 ZINC000488776744 1037137117 /nfs/dbraw/zinc/13/71/17/1037137117.db2.gz AJGMOXJDZMBIKD-CYBMUJFWSA-N 2 2 301.459 3.607 20 0 DHADLP C[C@H]1CN(c2cc[nH+]c3ccsc32)CC[N@H+](C2CCC2)C1 ZINC000488776744 1037137125 /nfs/dbraw/zinc/13/71/25/1037137125.db2.gz AJGMOXJDZMBIKD-CYBMUJFWSA-N 2 2 301.459 3.607 20 0 DHADLP CCCCOCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001198952667 1037168554 /nfs/dbraw/zinc/16/85/54/1037168554.db2.gz RQSIVECTCNLCTJ-IBGZPJMESA-N 2 2 318.505 3.836 20 0 DHADLP CCCCOCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001198952667 1037168578 /nfs/dbraw/zinc/16/85/78/1037168578.db2.gz RQSIVECTCNLCTJ-IBGZPJMESA-N 2 2 318.505 3.836 20 0 DHADLP CCOc1ccc(Cl)cc1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC001199021956 1037177697 /nfs/dbraw/zinc/17/76/97/1037177697.db2.gz RHVWHAJYCJFGOT-UHFFFAOYSA-N 2 2 324.896 3.950 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC001199294840 1037234269 /nfs/dbraw/zinc/23/42/69/1037234269.db2.gz AWOVZDYBEGBCBA-LFGUQSLTSA-N 2 2 322.537 3.824 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC001199294840 1037234281 /nfs/dbraw/zinc/23/42/81/1037234281.db2.gz AWOVZDYBEGBCBA-LFGUQSLTSA-N 2 2 322.537 3.824 20 0 DHADLP Cc1cc(Br)cc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000774975853 1037320293 /nfs/dbraw/zinc/32/02/93/1037320293.db2.gz DGNXVABIEBXUSU-UHFFFAOYSA-N 2 2 322.250 3.524 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001199699863 1037321340 /nfs/dbraw/zinc/32/13/40/1037321340.db2.gz ABRCLXLQONUPAN-CJNGLKHVSA-N 2 2 301.409 3.926 20 0 DHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CCC1 ZINC000178534465 1037326175 /nfs/dbraw/zinc/32/61/75/1037326175.db2.gz UBLMBCGSAYPRQN-SJORKVTESA-N 2 2 316.489 3.665 20 0 DHADLP CCc1cc(N(CC[NH+]2CCCCCC2)C2CCC2)nc(C)[nH+]1 ZINC001186584713 1037445183 /nfs/dbraw/zinc/44/51/83/1037445183.db2.gz IQSDDTPNTOKSHE-UHFFFAOYSA-N 2 2 316.493 3.582 20 0 DHADLP COc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC001200921114 1037463961 /nfs/dbraw/zinc/46/39/61/1037463961.db2.gz CPZBBFMAAUVLLW-UHFFFAOYSA-N 2 2 322.880 3.845 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Cl)c1Cl ZINC001205913018 1037571265 /nfs/dbraw/zinc/57/12/65/1037571265.db2.gz GBWUODFMFNFKRL-VXGBXAGGSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Cl)c1Cl ZINC001205913018 1037571276 /nfs/dbraw/zinc/57/12/76/1037571276.db2.gz GBWUODFMFNFKRL-VXGBXAGGSA-N 2 2 301.261 3.861 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000398052579 1037588903 /nfs/dbraw/zinc/58/89/03/1037588903.db2.gz YICNTWWSKHPGEV-UWJYYQICSA-N 2 2 323.484 3.644 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000398052579 1037588912 /nfs/dbraw/zinc/58/89/12/1037588912.db2.gz YICNTWWSKHPGEV-UWJYYQICSA-N 2 2 323.484 3.644 20 0 DHADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000493898390 1037594342 /nfs/dbraw/zinc/59/43/42/1037594342.db2.gz WFNQGMXQUGCNGH-JXFKEZNVSA-N 2 2 321.424 3.738 20 0 DHADLP CC[C@@H](C)C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001201502330 1037722633 /nfs/dbraw/zinc/72/26/33/1037722633.db2.gz HHSSGTMYVFYFPS-OAHLLOKOSA-N 2 2 321.534 3.928 20 0 DHADLP CC[C@@H](C)C[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001201502330 1037722651 /nfs/dbraw/zinc/72/26/51/1037722651.db2.gz HHSSGTMYVFYFPS-OAHLLOKOSA-N 2 2 321.534 3.928 20 0 DHADLP CCCC[C@H](CC)C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001201560152 1037775136 /nfs/dbraw/zinc/77/51/36/1037775136.db2.gz QGIYQQMPIKMCTP-IPMKNSEASA-N 2 2 315.505 3.662 20 0 DHADLP CCCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201751009 1037874336 /nfs/dbraw/zinc/87/43/36/1037874336.db2.gz RKJNSQDNMVEBGC-CVEARBPZSA-N 2 2 307.507 3.620 20 0 DHADLP CCCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001201751009 1037874339 /nfs/dbraw/zinc/87/43/39/1037874339.db2.gz RKJNSQDNMVEBGC-CVEARBPZSA-N 2 2 307.507 3.620 20 0 DHADLP CCCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201751009 1037874343 /nfs/dbraw/zinc/87/43/43/1037874343.db2.gz RKJNSQDNMVEBGC-CVEARBPZSA-N 2 2 307.507 3.620 20 0 DHADLP CCCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201751009 1037874353 /nfs/dbraw/zinc/87/43/53/1037874353.db2.gz RKJNSQDNMVEBGC-CVEARBPZSA-N 2 2 307.507 3.620 20 0 DHADLP Fc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491055387 1037898886 /nfs/dbraw/zinc/89/88/86/1037898886.db2.gz GQBNPKBVUZJGBG-SFHVURJKSA-N 2 2 304.453 3.914 20 0 DHADLP Fc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491055387 1037898913 /nfs/dbraw/zinc/89/89/13/1037898913.db2.gz GQBNPKBVUZJGBG-SFHVURJKSA-N 2 2 304.453 3.914 20 0 DHADLP c1ccc([C@H]2CSCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000125214298 1037925346 /nfs/dbraw/zinc/92/53/46/1037925346.db2.gz WXEUOKGFMZTNMV-GOSISDBHSA-N 2 2 304.503 3.653 20 0 DHADLP c1ccc([C@H]2CSCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000125214298 1037925355 /nfs/dbraw/zinc/92/53/55/1037925355.db2.gz WXEUOKGFMZTNMV-GOSISDBHSA-N 2 2 304.503 3.653 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cc(-c3ccccc3)cs1)CC2 ZINC000494409112 1038090146 /nfs/dbraw/zinc/09/01/46/1038090146.db2.gz AXTSIPWSJLMKBI-INIZCTEOSA-N 2 2 309.438 3.716 20 0 DHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CC2CCCC2)CC1 ZINC001202189643 1038094159 /nfs/dbraw/zinc/09/41/59/1038094159.db2.gz DVVUUDMADBZUID-UHFFFAOYSA-N 2 2 304.453 3.912 20 0 DHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CC2CCCC2)CC1 ZINC001202189643 1038094174 /nfs/dbraw/zinc/09/41/74/1038094174.db2.gz DVVUUDMADBZUID-UHFFFAOYSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H](CC1CCCCC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000494446872 1038102546 /nfs/dbraw/zinc/10/25/46/1038102546.db2.gz PQZLDCDQSVEKQN-MRXNPFEDSA-N 2 2 301.478 3.999 20 0 DHADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000572047491 1038321689 /nfs/dbraw/zinc/32/16/89/1038321689.db2.gz KCOILJSOUYBJLF-UHFFFAOYSA-N 2 2 312.457 3.649 20 0 DHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000572047491 1038321704 /nfs/dbraw/zinc/32/17/04/1038321704.db2.gz KCOILJSOUYBJLF-UHFFFAOYSA-N 2 2 312.457 3.649 20 0 DHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)o1 ZINC000588787389 1038345028 /nfs/dbraw/zinc/34/50/28/1038345028.db2.gz PCOHDQIFDGPHCU-UHFFFAOYSA-N 2 2 315.417 3.694 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000572473205 1038376440 /nfs/dbraw/zinc/37/64/40/1038376440.db2.gz NHVLAXJVYLFQNY-MAUKXSAKSA-N 2 2 318.530 3.946 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000572473205 1038376451 /nfs/dbraw/zinc/37/64/51/1038376451.db2.gz NHVLAXJVYLFQNY-MAUKXSAKSA-N 2 2 318.530 3.946 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC001192324726 1038628905 /nfs/dbraw/zinc/62/89/05/1038628905.db2.gz KXORKYAZHNTVPB-UHFFFAOYSA-N 2 2 321.399 3.878 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC001192324726 1038628915 /nfs/dbraw/zinc/62/89/15/1038628915.db2.gz KXORKYAZHNTVPB-UHFFFAOYSA-N 2 2 321.399 3.878 20 0 DHADLP Fc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001168400241 1038763675 /nfs/dbraw/zinc/76/36/75/1038763675.db2.gz KIRNGKCCJWGJKU-IBGZPJMESA-N 2 2 321.399 3.659 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccncc2)cc1 ZINC000573256063 1038891536 /nfs/dbraw/zinc/89/15/36/1038891536.db2.gz XNPGDNUSYPEKOV-KSSFIOAISA-N 2 2 318.424 3.680 20 0 DHADLP C[C@H](Cc1ccsc1)[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000573645616 1039026405 /nfs/dbraw/zinc/02/64/05/1039026405.db2.gz IVQOJBZPMYUFRZ-OAHLLOKOSA-N 2 2 318.486 3.869 20 0 DHADLP C[C@H](Cc1ccsc1)[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000573645616 1039026427 /nfs/dbraw/zinc/02/64/27/1039026427.db2.gz IVQOJBZPMYUFRZ-OAHLLOKOSA-N 2 2 318.486 3.869 20 0 DHADLP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000591869442 1039038573 /nfs/dbraw/zinc/03/85/73/1039038573.db2.gz WRHCDZQSFJMOBB-KRWDZBQOSA-N 2 2 322.412 3.684 20 0 DHADLP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000591869442 1039038593 /nfs/dbraw/zinc/03/85/93/1039038593.db2.gz WRHCDZQSFJMOBB-KRWDZBQOSA-N 2 2 322.412 3.684 20 0 DHADLP CCOc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761120045 1040190499 /nfs/dbraw/zinc/19/04/99/1040190499.db2.gz RKGHONCNFNCRPK-UHFFFAOYSA-N 2 2 311.429 3.557 20 0 DHADLP CCC(CC)(C[NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000236724578 201983779 /nfs/dbraw/zinc/98/37/79/201983779.db2.gz IIGPLKNBVYLMJZ-UHFFFAOYSA-N 2 2 313.401 3.578 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000072860631 191241589 /nfs/dbraw/zinc/24/15/89/191241589.db2.gz SSNGFGZZUOCQCG-HOTGVXAUSA-N 2 2 313.445 3.676 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000072860631 191241591 /nfs/dbraw/zinc/24/15/91/191241591.db2.gz SSNGFGZZUOCQCG-HOTGVXAUSA-N 2 2 313.445 3.676 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000072860631 191241595 /nfs/dbraw/zinc/24/15/95/191241595.db2.gz SSNGFGZZUOCQCG-HOTGVXAUSA-N 2 2 313.445 3.676 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000072860631 191241598 /nfs/dbraw/zinc/24/15/98/191241598.db2.gz SSNGFGZZUOCQCG-HOTGVXAUSA-N 2 2 313.445 3.676 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccccc3)n2)C1 ZINC000081533015 192284598 /nfs/dbraw/zinc/28/45/98/192284598.db2.gz VUWIBKMOVNBZNP-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccccc3)n2)C1 ZINC000081533015 192284599 /nfs/dbraw/zinc/28/45/99/192284599.db2.gz VUWIBKMOVNBZNP-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000081533015 192284602 /nfs/dbraw/zinc/28/46/02/192284602.db2.gz VUWIBKMOVNBZNP-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000081533015 192284604 /nfs/dbraw/zinc/28/46/04/192284604.db2.gz VUWIBKMOVNBZNP-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000081568637 192292530 /nfs/dbraw/zinc/29/25/30/192292530.db2.gz KEZQVZWJRDWJNK-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000081568637 192292532 /nfs/dbraw/zinc/29/25/32/192292532.db2.gz KEZQVZWJRDWJNK-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000081568637 192292534 /nfs/dbraw/zinc/29/25/34/192292534.db2.gz KEZQVZWJRDWJNK-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000081568637 192292536 /nfs/dbraw/zinc/29/25/36/192292536.db2.gz KEZQVZWJRDWJNK-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CC[N@@H+](Cc1occc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564703 193270429 /nfs/dbraw/zinc/27/04/29/193270429.db2.gz SRMOZXYJBFNGMC-UHFFFAOYSA-N 2 2 313.445 3.722 20 0 DHADLP CC[N@H+](Cc1occc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564703 193270431 /nfs/dbraw/zinc/27/04/31/193270431.db2.gz SRMOZXYJBFNGMC-UHFFFAOYSA-N 2 2 313.445 3.722 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1N(C)C ZINC000093943012 193331155 /nfs/dbraw/zinc/33/11/55/193331155.db2.gz IHRKRKCYOLIPAH-INIZCTEOSA-N 2 2 320.440 3.789 20 0 DHADLP COc1cccc(Cl)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000134779754 335014714 /nfs/dbraw/zinc/01/47/14/335014714.db2.gz RFZLCOBONYWZKG-UHFFFAOYSA-N 2 2 310.869 3.560 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000019960014 182170050 /nfs/dbraw/zinc/17/00/50/182170050.db2.gz DJIAYPCLYPRGSL-QWHCGFSZSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000019960014 182170052 /nfs/dbraw/zinc/17/00/52/182170052.db2.gz DJIAYPCLYPRGSL-QWHCGFSZSA-N 2 2 300.368 3.840 20 0 DHADLP C[C@@H](Cc1cccs1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272582771 130044303 /nfs/dbraw/zinc/04/43/03/130044303.db2.gz QTNOFKKNJOQVLD-LBPRGKRZSA-N 2 2 320.424 3.686 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273015697 130082306 /nfs/dbraw/zinc/08/23/06/130082306.db2.gz YKJPOORKBHPQBS-HOCLYGCPSA-N 2 2 301.409 3.750 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000273015697 130082311 /nfs/dbraw/zinc/08/23/11/130082311.db2.gz YKJPOORKBHPQBS-HOCLYGCPSA-N 2 2 301.409 3.750 20 0 DHADLP Fc1cc(C[NH2+]C2CCC(C(F)F)CC2)ccc1-n1cc[nH+]c1 ZINC000281998941 130896610 /nfs/dbraw/zinc/89/66/10/130896610.db2.gz QCSQVIUQJPXRSR-UHFFFAOYSA-N 2 2 323.362 3.925 20 0 DHADLP Cc1cc([C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)no1 ZINC000283995525 131039550 /nfs/dbraw/zinc/03/95/50/131039550.db2.gz HMRXSHKMERMPTI-HOCLYGCPSA-N 2 2 301.434 3.544 20 0 DHADLP Cc1cc([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)no1 ZINC000283995525 131039552 /nfs/dbraw/zinc/03/95/52/131039552.db2.gz HMRXSHKMERMPTI-HOCLYGCPSA-N 2 2 301.434 3.544 20 0 DHADLP c1cc2c(cccc2C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)[nH]1 ZINC000340194699 131129188 /nfs/dbraw/zinc/12/91/88/131129188.db2.gz BJTWPHXVRVVUBI-UHFFFAOYSA-N 2 2 316.408 3.703 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340227259 131233638 /nfs/dbraw/zinc/23/36/38/131233638.db2.gz WZEOLQHFLCUHIX-XIRDDKMYSA-N 2 2 315.486 3.938 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340227259 131233640 /nfs/dbraw/zinc/23/36/40/131233640.db2.gz WZEOLQHFLCUHIX-XIRDDKMYSA-N 2 2 315.486 3.938 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000340230288 131238070 /nfs/dbraw/zinc/23/80/70/131238070.db2.gz JVPKLZVXXDHPBK-GOSISDBHSA-N 2 2 322.537 3.968 20 0 DHADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]1c1cccs1 ZINC000286971307 131258389 /nfs/dbraw/zinc/25/83/89/131258389.db2.gz OATTZJJWQOGXJI-KRWDZBQOSA-N 2 2 324.453 3.912 20 0 DHADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H]1c1cccs1 ZINC000286971307 131258390 /nfs/dbraw/zinc/25/83/90/131258390.db2.gz OATTZJJWQOGXJI-KRWDZBQOSA-N 2 2 324.453 3.912 20 0 DHADLP CSC1(C[NH2+]c2ccc(N(C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000289164656 131362872 /nfs/dbraw/zinc/36/28/72/131362872.db2.gz DUHDFHDJBQIHOZ-UHFFFAOYSA-N 2 2 319.518 3.525 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000289173966 131363791 /nfs/dbraw/zinc/36/37/91/131363791.db2.gz FMXZXQZUBYVNRT-UHFFFAOYSA-N 2 2 311.404 3.775 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)c3ccccc32)cn1 ZINC000289244185 131368485 /nfs/dbraw/zinc/36/84/85/131368485.db2.gz NAFITWVOJHTJNC-IFXJQAMLSA-N 2 2 318.424 3.914 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000298419883 132062108 /nfs/dbraw/zinc/06/21/08/132062108.db2.gz QJNBQGVDZURWRM-KRWDZBQOSA-N 2 2 305.425 3.825 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000298427888 132062192 /nfs/dbraw/zinc/06/21/92/132062192.db2.gz UNYCRFICSXACKI-KXBFYZLASA-N 2 2 321.424 3.938 20 0 DHADLP Cc1ccccc1C[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000119739275 132135439 /nfs/dbraw/zinc/13/54/39/132135439.db2.gz SINVHHZAZFVRRJ-KRWDZBQOSA-N 2 2 309.457 3.580 20 0 DHADLP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCCn2cc[nH+]c2)o1 ZINC000343317125 335070343 /nfs/dbraw/zinc/07/03/43/335070343.db2.gz CALGGYXWGBEFAI-WBVHZDCISA-N 2 2 301.434 3.902 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151160490 196640249 /nfs/dbraw/zinc/64/02/49/196640249.db2.gz ZINNWEXCPBONLZ-AWEZNQCLSA-N 2 2 310.228 3.857 20 0 DHADLP CC(C)c1nc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc[nH+]1 ZINC000530857340 435056581 /nfs/dbraw/zinc/05/65/81/435056581.db2.gz IZJZBDKAQPKVNF-OAHLLOKOSA-N 2 2 318.852 3.968 20 0 DHADLP CC(C)c1nc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc[nH+]1 ZINC000530857335 435056713 /nfs/dbraw/zinc/05/67/13/435056713.db2.gz IZJZBDKAQPKVNF-HNNXBMFYSA-N 2 2 318.852 3.968 20 0 DHADLP CCc1ccc([C@@H](CNc2cc[nH+]c(C(C)C)n2)[NH+](C)C)cc1 ZINC000520708228 435767670 /nfs/dbraw/zinc/76/76/70/435767670.db2.gz IZSKXYYUMLGZMW-QGZVFWFLSA-N 2 2 312.461 3.877 20 0 DHADLP Fc1cccc(C[N@H+](CCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000343326828 335093196 /nfs/dbraw/zinc/09/31/96/335093196.db2.gz RKTJOPZMEUPRJG-UHFFFAOYSA-N 2 2 301.409 3.857 20 0 DHADLP Fc1cccc(C[N@@H+](CCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000343326828 335093198 /nfs/dbraw/zinc/09/31/98/335093198.db2.gz RKTJOPZMEUPRJG-UHFFFAOYSA-N 2 2 301.409 3.857 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000570691220 332801533 /nfs/dbraw/zinc/80/15/33/332801533.db2.gz VZQDSMKMTKZKTL-SFHVURJKSA-N 2 2 302.462 3.794 20 0 DHADLP CC[C@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000530529661 331572856 /nfs/dbraw/zinc/57/28/56/331572856.db2.gz BZPABJIHKPBBQX-HOJRLLLISA-N 2 2 318.427 3.960 20 0 DHADLP C[C@H](Cc1ccsc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000558425756 331906061 /nfs/dbraw/zinc/90/60/61/331906061.db2.gz CPMIDVVJZKMCLD-OAHLLOKOSA-N 2 2 311.454 3.714 20 0 DHADLP CCOc1ccc(C[NH2+]C[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000518277996 332005880 /nfs/dbraw/zinc/00/58/80/332005880.db2.gz GJFPJQRGRMOJGZ-KRWDZBQOSA-N 2 2 324.468 3.622 20 0 DHADLP CCOc1ccc(C[NH2+]C[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000518277996 332005881 /nfs/dbraw/zinc/00/58/81/332005881.db2.gz GJFPJQRGRMOJGZ-KRWDZBQOSA-N 2 2 324.468 3.622 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000128469150 332012588 /nfs/dbraw/zinc/01/25/88/332012588.db2.gz CFLUOKRYOFALOV-INIZCTEOSA-N 2 2 303.475 3.615 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000128469150 332012589 /nfs/dbraw/zinc/01/25/89/332012589.db2.gz CFLUOKRYOFALOV-INIZCTEOSA-N 2 2 303.475 3.615 20 0 DHADLP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000569357343 332030870 /nfs/dbraw/zinc/03/08/70/332030870.db2.gz GUWHOUBLEADXNM-RDTXWAMCSA-N 2 2 318.848 3.952 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000133162673 332137833 /nfs/dbraw/zinc/13/78/33/332137833.db2.gz FUVINPDYPJDAAV-CHWSQXEVSA-N 2 2 304.821 3.803 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000133162673 332137834 /nfs/dbraw/zinc/13/78/34/332137834.db2.gz FUVINPDYPJDAAV-CHWSQXEVSA-N 2 2 304.821 3.803 20 0 DHADLP C[C@H](C[NH2+]Cc1c(Cl)oc2ccccc21)C[NH+]1CCCC1 ZINC000133164671 332138006 /nfs/dbraw/zinc/13/80/06/332138006.db2.gz IOVIXAHMXGEELK-CYBMUJFWSA-N 2 2 306.837 3.908 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1-c1cccs1 ZINC000427130102 332168122 /nfs/dbraw/zinc/16/81/22/332168122.db2.gz DVZNSOYPDOALAM-YOEHRIQHSA-N 2 2 316.445 3.738 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1-c1cccs1 ZINC000427130102 332168123 /nfs/dbraw/zinc/16/81/23/332168123.db2.gz DVZNSOYPDOALAM-YOEHRIQHSA-N 2 2 316.445 3.738 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427111659 332168572 /nfs/dbraw/zinc/16/85/72/332168572.db2.gz UGYDTERUNIVFTQ-ICSRJNTNSA-N 2 2 322.452 3.546 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427111659 332168574 /nfs/dbraw/zinc/16/85/74/332168574.db2.gz UGYDTERUNIVFTQ-ICSRJNTNSA-N 2 2 322.452 3.546 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448020298 332178684 /nfs/dbraw/zinc/17/86/84/332178684.db2.gz BHHJPMNXFAVXES-LBTNJELSSA-N 2 2 316.420 3.904 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448020298 332178686 /nfs/dbraw/zinc/17/86/86/332178686.db2.gz BHHJPMNXFAVXES-LBTNJELSSA-N 2 2 316.420 3.904 20 0 DHADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000262327266 335095914 /nfs/dbraw/zinc/09/59/14/335095914.db2.gz RYESDCRHDIBGOP-GOPGUHFVSA-N 2 2 300.377 3.630 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2F)C[C@H]1c1ccccc1 ZINC000559751708 332278922 /nfs/dbraw/zinc/27/89/22/332278922.db2.gz KTNHXLLRLRJMFD-HKUYNNGSSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2F)C[C@H]1c1ccccc1 ZINC000559751708 332278924 /nfs/dbraw/zinc/27/89/24/332278924.db2.gz KTNHXLLRLRJMFD-HKUYNNGSSA-N 2 2 316.395 3.890 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000560126021 332312608 /nfs/dbraw/zinc/31/26/08/332312608.db2.gz CEPISOJQDVMIDJ-CUDHKJQZSA-N 2 2 316.489 3.678 20 0 DHADLP CCc1ccc([C@@H](C[NH2+]CC2=CCCOC2)[NH+](CC)CC)cc1 ZINC000560544839 332356446 /nfs/dbraw/zinc/35/64/46/332356446.db2.gz HZFVOQIWHLZJIL-HXUWFJFHSA-N 2 2 316.489 3.568 20 0 DHADLP C[NH+](C)C1(C[NH2+]CC(c2ccccc2)c2ccccc2)CCC1 ZINC000323223383 332410836 /nfs/dbraw/zinc/41/08/36/332410836.db2.gz QZRJUDYICPHOBZ-UHFFFAOYSA-N 2 2 308.469 3.892 20 0 DHADLP Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425583484 335106645 /nfs/dbraw/zinc/10/66/45/335106645.db2.gz AMLJEURYKWEQSH-SFHVURJKSA-N 2 2 323.440 3.549 20 0 DHADLP Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000425583484 335106646 /nfs/dbraw/zinc/10/66/46/335106646.db2.gz AMLJEURYKWEQSH-SFHVURJKSA-N 2 2 323.440 3.549 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427877197 332552740 /nfs/dbraw/zinc/55/27/40/332552740.db2.gz OBHKNWWORWDIOP-RYUDHWBXSA-N 2 2 309.866 3.524 20 0 DHADLP CSC1(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CCC1 ZINC000313719124 333066465 /nfs/dbraw/zinc/06/64/65/333066465.db2.gz ADOOLHLVDIAPLO-KRWDZBQOSA-N 2 2 304.503 3.699 20 0 DHADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000582043256 333183106 /nfs/dbraw/zinc/18/31/06/333183106.db2.gz TWXZAOLTTVBREP-BCDMZGRMSA-N 2 2 304.478 3.532 20 0 DHADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000582043257 333183235 /nfs/dbraw/zinc/18/32/35/333183235.db2.gz TWXZAOLTTVBREP-KMOPNRPKSA-N 2 2 304.478 3.532 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309708417 333191221 /nfs/dbraw/zinc/19/12/21/333191221.db2.gz IKTGESYGVMUIAN-PBHICJAKSA-N 2 2 315.486 3.624 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000309708417 333191223 /nfs/dbraw/zinc/19/12/23/333191223.db2.gz IKTGESYGVMUIAN-PBHICJAKSA-N 2 2 315.486 3.624 20 0 DHADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390530535 333291940 /nfs/dbraw/zinc/29/19/40/333291940.db2.gz LTWHIORYDNDYBB-IEBWSBKVSA-N 2 2 310.441 3.911 20 0 DHADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390530535 333291941 /nfs/dbraw/zinc/29/19/41/333291941.db2.gz LTWHIORYDNDYBB-IEBWSBKVSA-N 2 2 310.441 3.911 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)cc1F ZINC000390677071 333313882 /nfs/dbraw/zinc/31/38/82/333313882.db2.gz VXTAXZFXHWMRKY-INIZCTEOSA-N 2 2 300.421 3.744 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)cc1F ZINC000390677071 333313883 /nfs/dbraw/zinc/31/38/83/333313883.db2.gz VXTAXZFXHWMRKY-INIZCTEOSA-N 2 2 300.421 3.744 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000514090982 333317166 /nfs/dbraw/zinc/31/71/66/333317166.db2.gz XRKAMLFPBZPQNY-AEFFLSMTSA-N 2 2 318.509 3.885 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000514090982 333317167 /nfs/dbraw/zinc/31/71/67/333317167.db2.gz XRKAMLFPBZPQNY-AEFFLSMTSA-N 2 2 318.509 3.885 20 0 DHADLP CC1(C)C[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C(C)(C)O1 ZINC000391297645 333434449 /nfs/dbraw/zinc/43/44/49/333434449.db2.gz SSWBLZBXSGHGLS-QZTJIDSGSA-N 2 2 316.489 3.759 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000531688826 333545183 /nfs/dbraw/zinc/54/51/83/333545183.db2.gz VASJRPBMNVLCOU-XOBRGWDASA-N 2 2 305.425 3.868 20 0 DHADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000563429726 333604097 /nfs/dbraw/zinc/60/40/97/333604097.db2.gz WDCAHZLZIDSWDM-NHYWBVRUSA-N 2 2 321.877 3.551 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+]Cc3c[nH+]c(C)n3C)oc21 ZINC000563639091 333644158 /nfs/dbraw/zinc/64/41/58/333644158.db2.gz ZDJMBWAULQRFKP-LBPRGKRZSA-N 2 2 313.401 3.724 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]CCc1cc[nH+]cc1C)CCS2 ZINC000343458796 335166032 /nfs/dbraw/zinc/16/60/32/335166032.db2.gz GPEGVVVHYAZECY-KRWDZBQOSA-N 2 2 314.454 3.768 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CS1 ZINC000414232460 333927128 /nfs/dbraw/zinc/92/71/28/333927128.db2.gz PZRZCJPJOOVPFJ-CZUORRHYSA-N 2 2 324.921 3.788 20 0 DHADLP Fc1cncc([C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C2CC2)c1 ZINC000343456686 335170199 /nfs/dbraw/zinc/17/01/99/335170199.db2.gz NCSKPIIOCGAVOP-IBGZPJMESA-N 2 2 322.387 3.647 20 0 DHADLP COc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414659127 334059041 /nfs/dbraw/zinc/05/90/41/334059041.db2.gz RZPIOTRABGIYAK-GOSISDBHSA-N 2 2 310.441 3.675 20 0 DHADLP COc1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000414659127 334059043 /nfs/dbraw/zinc/05/90/43/334059043.db2.gz RZPIOTRABGIYAK-GOSISDBHSA-N 2 2 310.441 3.675 20 0 DHADLP COc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000414659128 334059053 /nfs/dbraw/zinc/05/90/53/334059053.db2.gz RZPIOTRABGIYAK-SFHVURJKSA-N 2 2 310.441 3.675 20 0 DHADLP COc1ccccc1-c1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000414659128 334059055 /nfs/dbraw/zinc/05/90/55/334059055.db2.gz RZPIOTRABGIYAK-SFHVURJKSA-N 2 2 310.441 3.675 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000277306991 334087569 /nfs/dbraw/zinc/08/75/69/334087569.db2.gz BJJSQLLXTLIVKA-AWEZNQCLSA-N 2 2 318.358 3.761 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000277306991 334087571 /nfs/dbraw/zinc/08/75/71/334087571.db2.gz BJJSQLLXTLIVKA-AWEZNQCLSA-N 2 2 318.358 3.761 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414827190 334110231 /nfs/dbraw/zinc/11/02/31/334110231.db2.gz GVJBRFGLCSKXFR-GUYCJALGSA-N 2 2 322.374 3.926 20 0 DHADLP [NH3+]C[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)C1CCCCC1 ZINC000414831087 334110628 /nfs/dbraw/zinc/11/06/28/334110628.db2.gz BXXOCYRSKRIMEB-INIZCTEOSA-N 2 2 307.507 3.798 20 0 DHADLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)C1CCCCC1 ZINC000414834078 334111028 /nfs/dbraw/zinc/11/10/28/334111028.db2.gz GLXWEONLMHBCGN-KRWDZBQOSA-N 2 2 315.486 3.807 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](C[NH3+])C3CCCCC3)CC2)C1 ZINC000414835773 334111397 /nfs/dbraw/zinc/11/13/97/334111397.db2.gz HTSBOWGGSKOVEK-NSISKUIASA-N 3 2 321.553 3.527 20 0 DHADLP [NH3+]C[C@@H]([NH2+]Cc1cnc(-c2cccs2)s1)C1CCCCC1 ZINC000414837708 334111863 /nfs/dbraw/zinc/11/18/63/334111863.db2.gz JOCUKCKJEYZEKD-CQSZACIVSA-N 2 2 321.515 3.869 20 0 DHADLP [NH3+][C@H](C[NH2+]CCCc1c(F)cccc1Cl)c1ccccc1 ZINC000414841562 334112905 /nfs/dbraw/zinc/11/29/05/334112905.db2.gz YFTGLQPCFSUXOH-QGZVFWFLSA-N 2 2 306.812 3.701 20 0 DHADLP Cc1cccc2ncc(C[NH2+]C[C@@H]([NH3+])c3ccc(C(C)C)cc3)n21 ZINC000414843034 334113196 /nfs/dbraw/zinc/11/31/96/334113196.db2.gz JFDJDMVMKVUCLD-LJQANCHMSA-N 2 2 322.456 3.556 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(C2CCCC2)s1 ZINC000343605915 335176723 /nfs/dbraw/zinc/17/67/23/335176723.db2.gz PQFYGVWONJSEBV-UHFFFAOYSA-N 2 2 307.507 3.718 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(C2CCCC2)s1 ZINC000343605915 335176725 /nfs/dbraw/zinc/17/67/25/335176725.db2.gz PQFYGVWONJSEBV-UHFFFAOYSA-N 2 2 307.507 3.718 20 0 DHADLP COCC(C)(C)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000286847347 334154770 /nfs/dbraw/zinc/15/47/70/334154770.db2.gz AEFOBYHUJWUNOT-INIZCTEOSA-N 2 2 315.461 3.976 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)c2ccccc21 ZINC000288541265 334160948 /nfs/dbraw/zinc/16/09/48/334160948.db2.gz AHWSFFJQGHWYAU-KDOFPFPSSA-N 2 2 304.397 3.605 20 0 DHADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414927931 334190250 /nfs/dbraw/zinc/19/02/50/334190250.db2.gz MRBCCTMYURFABJ-CQSZACIVSA-N 2 2 321.515 3.739 20 0 DHADLP C[C@H](CC1CCOCC1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414931940 334194988 /nfs/dbraw/zinc/19/49/88/334194988.db2.gz CDBBDIRECLBYAI-FOIQADDNSA-N 2 2 312.457 3.634 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)cs2)cc1 ZINC000414960956 334212443 /nfs/dbraw/zinc/21/24/43/334212443.db2.gz AYHWSUBNTFOASG-MRXNPFEDSA-N 2 2 315.486 3.596 20 0 DHADLP c1ccc([C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000294873388 334214023 /nfs/dbraw/zinc/21/40/23/334214023.db2.gz WUTTZVMPSWLVIS-OALUTQOASA-N 2 2 314.473 3.515 20 0 DHADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414975092 334221664 /nfs/dbraw/zinc/22/16/64/334221664.db2.gz OFSQMFGSAJKBKJ-CYBMUJFWSA-N 2 2 320.786 3.837 20 0 DHADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000414975095 334221685 /nfs/dbraw/zinc/22/16/85/334221685.db2.gz OFSQMFGSAJKBKJ-ZDUSSCGKSA-N 2 2 320.786 3.837 20 0 DHADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000415012732 334258262 /nfs/dbraw/zinc/25/82/62/334258262.db2.gz JUJQGGUQBKVGCG-JGVFFNPUSA-N 2 2 314.273 3.550 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000415043137 334260924 /nfs/dbraw/zinc/26/09/24/334260924.db2.gz AGIKKGXHAOGBMN-IJEWVQPXSA-N 2 2 314.395 3.960 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CCc1ccsc1 ZINC000415064711 334262406 /nfs/dbraw/zinc/26/24/06/334262406.db2.gz LGZFDKWTCSNUQC-KBXCAEBGSA-N 2 2 302.487 3.921 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C/C=C/c1ccccc1OC ZINC000415070336 334262769 /nfs/dbraw/zinc/26/27/69/334262769.db2.gz URTHMLHMJAKKAH-BLRBJFNZSA-N 2 2 310.441 3.560 20 0 DHADLP FC(F)(F)c1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)ccc1Cl ZINC000415071364 334264347 /nfs/dbraw/zinc/26/43/47/334264347.db2.gz SSKFBKSIDDBREQ-LLVKDONJSA-N 2 2 306.759 3.591 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000415072378 334265928 /nfs/dbraw/zinc/26/59/28/334265928.db2.gz YAXBATMUHVZBFC-FQEVSTJZSA-N 2 2 319.452 3.895 20 0 DHADLP CC[C@H](C[NH2+][C@H](C)c1cc(C)ccn1)[N@@H+]1CCc2ccccc2C1 ZINC000514093344 334270423 /nfs/dbraw/zinc/27/04/23/334270423.db2.gz JAUOGWRZQTXAMG-YLJYHZDGSA-N 2 2 323.484 3.878 20 0 DHADLP CC[C@H](C[NH2+][C@H](C)c1cc(C)ccn1)[N@H+]1CCc2ccccc2C1 ZINC000514093344 334270426 /nfs/dbraw/zinc/27/04/26/334270426.db2.gz JAUOGWRZQTXAMG-YLJYHZDGSA-N 2 2 323.484 3.878 20 0 DHADLP CC(C)(C)c1ccncc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415115352 334283723 /nfs/dbraw/zinc/28/37/23/334283723.db2.gz DPXOUABUKOCISC-AZUAARDMSA-N 2 2 323.484 3.962 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000531946941 334305067 /nfs/dbraw/zinc/30/50/67/334305067.db2.gz WTJXSPYZULPYMV-ZACQAIPSSA-N 2 2 304.478 3.509 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000531946941 334305068 /nfs/dbraw/zinc/30/50/68/334305068.db2.gz WTJXSPYZULPYMV-ZACQAIPSSA-N 2 2 304.478 3.509 20 0 DHADLP C[N@@H+](Cc1ncc(-c2ccccc2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000152279676 334334490 /nfs/dbraw/zinc/33/44/90/334334490.db2.gz SKQGSARIRKXWRM-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP C[N@H+](Cc1ncc(-c2ccccc2)s1)C[C@H]1CCC[NH+](C)C1 ZINC000152279676 334334491 /nfs/dbraw/zinc/33/44/91/334334491.db2.gz SKQGSARIRKXWRM-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](Cc1ncc(-c2ccccc2)s1)C[C@H]1CCC[N@H+](C)C1 ZINC000152279676 334334492 /nfs/dbraw/zinc/33/44/92/334334492.db2.gz SKQGSARIRKXWRM-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](Cc1ncc(-c2ccccc2)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152279676 334334493 /nfs/dbraw/zinc/33/44/93/334334493.db2.gz SKQGSARIRKXWRM-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP Cc1cc(N2CC[NH+](CCC3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000303939767 334348617 /nfs/dbraw/zinc/34/86/17/334348617.db2.gz SLWYTMKPHBIEFD-UHFFFAOYSA-N 2 2 316.493 3.611 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534973305 334351352 /nfs/dbraw/zinc/35/13/52/334351352.db2.gz ZDPILDCXPIFPOE-UUWFMWQGSA-N 2 2 304.865 3.790 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000534973305 334351353 /nfs/dbraw/zinc/35/13/53/334351353.db2.gz ZDPILDCXPIFPOE-UUWFMWQGSA-N 2 2 304.865 3.790 20 0 DHADLP COc1ccc(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000342935189 334590511 /nfs/dbraw/zinc/59/05/11/334590511.db2.gz ROYJONHVAPFRAB-UHFFFAOYSA-N 2 2 321.424 3.723 20 0 DHADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC1(C)C ZINC000417323738 334708562 /nfs/dbraw/zinc/70/85/62/334708562.db2.gz OYTRKAXZZMRRKI-MOPGFXCFSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@@H](C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1)C[NH+](C)C ZINC000425935032 334774596 /nfs/dbraw/zinc/77/45/96/334774596.db2.gz GKJBBPRTEJEHHL-YWZLYKJASA-N 2 2 323.440 3.705 20 0 DHADLP CS[C@@H]1CC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000425339734 334801951 /nfs/dbraw/zinc/80/19/51/334801951.db2.gz CWPKDAUZZRSFAH-FGTMMUONSA-N 2 2 315.486 3.725 20 0 DHADLP CS[C@@H]1CC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000425339737 334802038 /nfs/dbraw/zinc/80/20/38/334802038.db2.gz CWPKDAUZZRSFAH-RCCFBDPRSA-N 2 2 315.486 3.725 20 0 DHADLP Cc1ccc(CCC[N@H+](C)CCCOCc2ccccc2)c[nH+]1 ZINC000343657098 335185468 /nfs/dbraw/zinc/18/54/68/335185468.db2.gz KRKYTRQSSGQSPA-UHFFFAOYSA-N 2 2 312.457 3.861 20 0 DHADLP Cc1ccc(CCC[N@@H+](C)CCCOCc2ccccc2)c[nH+]1 ZINC000343657098 335185469 /nfs/dbraw/zinc/18/54/69/335185469.db2.gz KRKYTRQSSGQSPA-UHFFFAOYSA-N 2 2 312.457 3.861 20 0 DHADLP CCC1(CC)[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C[C@@H]1OC ZINC000344055323 335213691 /nfs/dbraw/zinc/21/36/91/335213691.db2.gz LDYAGWILDMRQMV-MSOLQXFVSA-N 2 2 313.445 3.556 20 0 DHADLP c1cn(-c2csc(C[NH2+]Cc3ccc4ccccc4n3)c2)c[nH+]1 ZINC000344076229 335215579 /nfs/dbraw/zinc/21/55/79/335215579.db2.gz SMZIBSDRCORUOI-UHFFFAOYSA-N 2 2 320.421 3.772 20 0 DHADLP CC[C@H]1CCC[C@H](C[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000344113362 335218271 /nfs/dbraw/zinc/21/82/71/335218271.db2.gz MFNVQJDMCFJRBV-IRXDYDNUSA-N 2 2 310.526 3.682 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344176063 335227449 /nfs/dbraw/zinc/22/74/49/335227449.db2.gz YHARXLVWZYLHNV-CYBMUJFWSA-N 2 2 301.415 3.638 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccsc1C(F)(F)F ZINC000529569294 335246957 /nfs/dbraw/zinc/24/69/57/335246957.db2.gz NSPFTQSAXXAXDN-PWSUYJOCSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccsc1C(F)(F)F ZINC000529569294 335246959 /nfs/dbraw/zinc/24/69/59/335246959.db2.gz NSPFTQSAXXAXDN-PWSUYJOCSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccsc1C(F)(F)F ZINC000529569294 335246960 /nfs/dbraw/zinc/24/69/60/335246960.db2.gz NSPFTQSAXXAXDN-PWSUYJOCSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccsc1C(F)(F)F ZINC000529569294 335246962 /nfs/dbraw/zinc/24/69/62/335246962.db2.gz NSPFTQSAXXAXDN-PWSUYJOCSA-N 2 2 306.397 3.539 20 0 DHADLP Cc1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)s1 ZINC000344461874 335250872 /nfs/dbraw/zinc/25/08/72/335250872.db2.gz LEJQWFBJHWPHTK-UHFFFAOYSA-N 2 2 315.486 3.727 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc3cc(F)ccc3o1)CCC2 ZINC000344546628 335260683 /nfs/dbraw/zinc/26/06/83/335260683.db2.gz UUVLQBWUUMGJNI-CYBMUJFWSA-N 2 2 313.376 3.744 20 0 DHADLP C[C@@H]1CCC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000344909179 335284906 /nfs/dbraw/zinc/28/49/06/335284906.db2.gz ZRXRIJVYYKVDLF-CVEARBPZSA-N 2 2 316.493 3.603 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000345170716 335304686 /nfs/dbraw/zinc/30/46/86/335304686.db2.gz IIXOODRCUPCJIN-CSODHUTKSA-N 2 2 324.468 3.665 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000345170716 335304687 /nfs/dbraw/zinc/30/46/87/335304687.db2.gz IIXOODRCUPCJIN-CSODHUTKSA-N 2 2 324.468 3.665 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1nc(-c2ccccc2)cs1 ZINC000345228270 335310197 /nfs/dbraw/zinc/31/01/97/335310197.db2.gz YEFQBRRILJNOTJ-UONOGXRCSA-N 2 2 303.475 3.801 20 0 DHADLP CS[C@H]1CCCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346176870 335378141 /nfs/dbraw/zinc/37/81/41/335378141.db2.gz SAKGHVPELOANIW-AWEZNQCLSA-N 2 2 307.488 3.651 20 0 DHADLP CS[C@H]1CCCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346176870 335378142 /nfs/dbraw/zinc/37/81/42/335378142.db2.gz SAKGHVPELOANIW-AWEZNQCLSA-N 2 2 307.488 3.651 20 0 DHADLP CC(C)[C@@H](C)[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CC1 ZINC000346134753 335379885 /nfs/dbraw/zinc/37/98/85/335379885.db2.gz OCWFIXYZKKPDPK-CQSZACIVSA-N 2 2 321.534 3.919 20 0 DHADLP CC(C)[C@@H](C)[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CC1 ZINC000346134753 335379886 /nfs/dbraw/zinc/37/98/86/335379886.db2.gz OCWFIXYZKKPDPK-CQSZACIVSA-N 2 2 321.534 3.919 20 0 DHADLP CC(C)[C@@H](C)[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CC1 ZINC000346134753 335379887 /nfs/dbraw/zinc/37/98/87/335379887.db2.gz OCWFIXYZKKPDPK-CQSZACIVSA-N 2 2 321.534 3.919 20 0 DHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)cc1 ZINC000346134698 335379900 /nfs/dbraw/zinc/37/99/00/335379900.db2.gz NQLDAAMRYKQDSO-UHFFFAOYSA-N 2 2 301.390 3.705 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000346284902 335392472 /nfs/dbraw/zinc/39/24/72/335392472.db2.gz YQPKIUYWVBVKNH-QGZVFWFLSA-N 2 2 305.372 3.697 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000346284902 335392474 /nfs/dbraw/zinc/39/24/74/335392474.db2.gz YQPKIUYWVBVKNH-QGZVFWFLSA-N 2 2 305.372 3.697 20 0 DHADLP C[C@@H]1CC[C@]2(CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)C1 ZINC000346353736 335397476 /nfs/dbraw/zinc/39/74/76/335397476.db2.gz MTJLZARUVUQWTH-PBHICJAKSA-N 2 2 301.459 3.946 20 0 DHADLP C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)C1 ZINC000346353736 335397478 /nfs/dbraw/zinc/39/74/78/335397478.db2.gz MTJLZARUVUQWTH-PBHICJAKSA-N 2 2 301.459 3.946 20 0 DHADLP CC(C)[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)cc1 ZINC000346318234 335399731 /nfs/dbraw/zinc/39/97/31/335399731.db2.gz WXUTYBCKPXGZOS-UHFFFAOYSA-N 2 2 322.250 3.556 20 0 DHADLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)cc1 ZINC000346318234 335399732 /nfs/dbraw/zinc/39/97/32/335399732.db2.gz WXUTYBCKPXGZOS-UHFFFAOYSA-N 2 2 322.250 3.556 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000346623662 335424916 /nfs/dbraw/zinc/42/49/16/335424916.db2.gz ALNBUKFGIXHYJY-HXUWFJFHSA-N 2 2 321.399 3.846 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]CCCC2CCCCC2)CC1 ZINC000348035295 335546799 /nfs/dbraw/zinc/54/67/99/335546799.db2.gz DSIJQQFZQISZOG-UHFFFAOYSA-N 2 2 310.526 3.826 20 0 DHADLP CSc1cccc(F)c1C[NH2+]CCCc1c[nH+]ccc1C ZINC000348671783 335599346 /nfs/dbraw/zinc/59/93/46/335599346.db2.gz LNJVHNNVJRUBMS-UHFFFAOYSA-N 2 2 304.434 3.973 20 0 DHADLP C[C@H]1CCC[C@@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000114851173 335824585 /nfs/dbraw/zinc/82/45/85/335824585.db2.gz IMGMQCRLENMSJC-IRXDYDNUSA-N 2 2 301.478 3.856 20 0 DHADLP CC[NH+](CC)CCSCc1c[nH+]cn1Cc1ccccc1 ZINC000445592374 338501569 /nfs/dbraw/zinc/50/15/69/338501569.db2.gz QDRULJFBOQXDBX-UHFFFAOYSA-N 2 2 303.475 3.506 20 0 DHADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H](CC2CC2)c2ccccc2)C[C@@H](C)O1 ZINC000532201230 335915418 /nfs/dbraw/zinc/91/54/18/335915418.db2.gz RAPSIFOPWFHQFW-HLIPFELVSA-N 2 2 316.489 3.617 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000192035562 336016665 /nfs/dbraw/zinc/01/66/65/336016665.db2.gz IHGFPLSCLQUCSY-APWZRJJASA-N 2 2 310.441 3.707 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000192035562 336016666 /nfs/dbraw/zinc/01/66/66/336016666.db2.gz IHGFPLSCLQUCSY-APWZRJJASA-N 2 2 310.441 3.707 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000351847541 336073378 /nfs/dbraw/zinc/07/33/78/336073378.db2.gz AILITVAHJMHXNN-CJNGLKHVSA-N 2 2 315.486 3.542 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000351847541 336073380 /nfs/dbraw/zinc/07/33/80/336073380.db2.gz AILITVAHJMHXNN-CJNGLKHVSA-N 2 2 315.486 3.542 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000324572936 336229065 /nfs/dbraw/zinc/22/90/65/336229065.db2.gz VNUFBVVZLLZKHX-KXBFYZLASA-N 2 2 307.441 3.889 20 0 DHADLP CCc1ccc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000352734329 336233012 /nfs/dbraw/zinc/23/30/12/336233012.db2.gz WWKCDPFVPQIBHA-NRFANRHFSA-N 2 2 323.484 3.788 20 0 DHADLP CCc1ccc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000352734329 336233013 /nfs/dbraw/zinc/23/30/13/336233013.db2.gz WWKCDPFVPQIBHA-NRFANRHFSA-N 2 2 323.484 3.788 20 0 DHADLP Clc1cccc2c1CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000532449662 336246889 /nfs/dbraw/zinc/24/68/89/336246889.db2.gz MLWKLJOCZMIJFG-KRWDZBQOSA-N 2 2 315.848 3.692 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000532785894 336271238 /nfs/dbraw/zinc/27/12/38/336271238.db2.gz WKZAQVWWCKVGFQ-MRXNPFEDSA-N 2 2 310.526 3.682 20 0 DHADLP c1coc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCCCC2)c1 ZINC000301090807 336289541 /nfs/dbraw/zinc/28/95/41/336289541.db2.gz SPMDPCKAVFRSDP-MRXNPFEDSA-N 2 2 310.401 3.795 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)nc[nH+]1 ZINC000301276021 336298320 /nfs/dbraw/zinc/29/83/20/336298320.db2.gz WPLGJPMGYVOHAS-MRXNPFEDSA-N 2 2 310.445 3.772 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)nc[nH+]1 ZINC000301276021 336298321 /nfs/dbraw/zinc/29/83/21/336298321.db2.gz WPLGJPMGYVOHAS-MRXNPFEDSA-N 2 2 310.445 3.772 20 0 DHADLP CC(C)c1nc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc[nH+]1 ZINC000301287180 336298930 /nfs/dbraw/zinc/29/89/30/336298930.db2.gz OWKLILCCVUAMGE-IAGOWNOFSA-N 2 2 316.493 3.691 20 0 DHADLP CC(C)c1nc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc[nH+]1 ZINC000301287180 336298931 /nfs/dbraw/zinc/29/89/31/336298931.db2.gz OWKLILCCVUAMGE-IAGOWNOFSA-N 2 2 316.493 3.691 20 0 DHADLP CCc1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc(C)[nH+]1 ZINC000301365575 336302653 /nfs/dbraw/zinc/30/26/53/336302653.db2.gz SFIHPNOTRFSCCY-SFHVURJKSA-N 2 2 310.445 3.596 20 0 DHADLP c1cc2[nH+]ccc(N3CCCC[C@H]([NH+]4CCCC4)C3)c2s1 ZINC000301394823 336304252 /nfs/dbraw/zinc/30/42/52/336304252.db2.gz KVLZAXKUBBVQGS-AWEZNQCLSA-N 2 2 301.459 3.751 20 0 DHADLP Cc1ccc([C@H](CNc2cc[nH+]cc2Cl)[NH+]2CCCC2)o1 ZINC000301538181 336313355 /nfs/dbraw/zinc/31/33/55/336313355.db2.gz UQIULIVYYNCMPY-HNNXBMFYSA-N 2 2 305.809 3.885 20 0 DHADLP C[C@@H]1C[NH+](CCCCNc2ccc3ccccc3[nH+]2)C[C@@H](C)O1 ZINC000301735334 336326466 /nfs/dbraw/zinc/32/64/66/336326466.db2.gz UUXFVPGWTQHGBU-HZPDHXFCSA-N 2 2 313.445 3.536 20 0 DHADLP CC[NH+](CC)[C@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000301863227 336334967 /nfs/dbraw/zinc/33/49/67/336334967.db2.gz LQKYMPZPAFHJAE-HNNXBMFYSA-N 2 2 304.482 3.644 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000301883433 336336163 /nfs/dbraw/zinc/33/61/63/336336163.db2.gz JAFKOXZLYNMCCR-INIZCTEOSA-N 2 2 320.440 3.664 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000301883433 336336164 /nfs/dbraw/zinc/33/61/64/336336164.db2.gz JAFKOXZLYNMCCR-INIZCTEOSA-N 2 2 320.440 3.664 20 0 DHADLP Cc1ccc2[nH+]ccc(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000302225988 336354937 /nfs/dbraw/zinc/35/49/37/336354937.db2.gz PCZZWFKHZAJAQD-DNVCBOLYSA-N 2 2 306.413 3.827 20 0 DHADLP COc1cccc2c(N[C@@H](C)C(C)(C)C[NH+](C)C)cc[nH+]c12 ZINC000302547436 336361292 /nfs/dbraw/zinc/36/12/92/336361292.db2.gz PJKZNWBIKKKLJU-ZDUSSCGKSA-N 2 2 301.434 3.632 20 0 DHADLP COc1cccc2c(NCc3ccc[nH+]c3N(C)C)c(C)c[nH+]c12 ZINC000302682380 336364783 /nfs/dbraw/zinc/36/47/83/336364783.db2.gz XIQBUYSPWAVFJW-UHFFFAOYSA-N 2 2 322.412 3.625 20 0 DHADLP CC[N@H+](C)C[C@H]1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302783895 336368930 /nfs/dbraw/zinc/36/89/30/336368930.db2.gz UKMIINNVHZRMSJ-OAHLLOKOSA-N 2 2 318.509 3.676 20 0 DHADLP CC[N@@H+](C)C[C@H]1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302783895 336368931 /nfs/dbraw/zinc/36/89/31/336368931.db2.gz UKMIINNVHZRMSJ-OAHLLOKOSA-N 2 2 318.509 3.676 20 0 DHADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352905873 336375775 /nfs/dbraw/zinc/37/57/75/336375775.db2.gz BBJSTBZAYYPPSF-FHLIZLRMSA-N 2 2 302.462 3.609 20 0 DHADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352905873 336375776 /nfs/dbraw/zinc/37/57/76/336375776.db2.gz BBJSTBZAYYPPSF-FHLIZLRMSA-N 2 2 302.462 3.609 20 0 DHADLP Clc1ccc2c(ccn2CC[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000352925660 336377477 /nfs/dbraw/zinc/37/74/77/336377477.db2.gz PUDAGRVTEARPBC-UHFFFAOYSA-N 2 2 324.815 3.732 20 0 DHADLP CC(C)CCn1cccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352948407 336378722 /nfs/dbraw/zinc/37/87/22/336378722.db2.gz SMKBPHGAKIWNLP-UHFFFAOYSA-N 2 2 300.450 3.637 20 0 DHADLP CSc1cccc(F)c1C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000352948670 336378954 /nfs/dbraw/zinc/37/89/54/336378954.db2.gz KYSVANVBBBNEPK-UHFFFAOYSA-N 2 2 315.417 3.794 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc(C)c1O ZINC000564005756 336398970 /nfs/dbraw/zinc/39/89/70/336398970.db2.gz QTPQLBAJTRPRIA-YLJYHZDGSA-N 2 2 324.468 3.934 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc(C)c1O ZINC000564005756 336398971 /nfs/dbraw/zinc/39/89/71/336398971.db2.gz QTPQLBAJTRPRIA-YLJYHZDGSA-N 2 2 324.468 3.934 20 0 DHADLP c1cn(-c2csc(C[NH2+]CC3(c4ccccn4)CCC3)c2)c[nH+]1 ZINC000353081711 336400006 /nfs/dbraw/zinc/40/00/06/336400006.db2.gz DSPHDJVGLQNYBV-UHFFFAOYSA-N 2 2 324.453 3.540 20 0 DHADLP c1cncc(C[NH+]2CCC([NH2+]CCC3CCCCC3)CC2)c1 ZINC000358005965 336605745 /nfs/dbraw/zinc/60/57/45/336605745.db2.gz ONUNMBATLDINHD-UHFFFAOYSA-N 2 2 301.478 3.606 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000358048223 336608483 /nfs/dbraw/zinc/60/84/83/336608483.db2.gz OVMBIRCGQWIRKG-AWEZNQCLSA-N 2 2 321.424 3.726 20 0 DHADLP C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358253220 336619705 /nfs/dbraw/zinc/61/97/05/336619705.db2.gz VQJZIVQGNYCRAO-FZKQIMNGSA-N 2 2 323.371 3.796 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccccn2)c(C)c1 ZINC000358346088 336625234 /nfs/dbraw/zinc/62/52/34/336625234.db2.gz QGBCMAJEWYJHOX-XLIONFOSSA-N 2 2 320.440 3.987 20 0 DHADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000359074222 336656436 /nfs/dbraw/zinc/65/64/36/336656436.db2.gz PYPCNUCSMFTHNP-FVKWTLKZSA-N 2 2 306.400 3.559 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000360041473 336698976 /nfs/dbraw/zinc/69/89/76/336698976.db2.gz XZSJOSXGLOYVPC-JKSUJKDBSA-N 2 2 306.413 3.684 20 0 DHADLP Cc1cc(NCc2cccc(-n3cc[nH+]c3)c2)c2ccccc2[nH+]1 ZINC000360351935 336709488 /nfs/dbraw/zinc/70/94/88/336709488.db2.gz IWTAVDMTAKLLKZ-UHFFFAOYSA-N 2 2 314.392 3.763 20 0 DHADLP CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360433914 336711534 /nfs/dbraw/zinc/71/15/34/336711534.db2.gz PULDYIDXBWLDMH-LJQANCHMSA-N 2 2 323.484 3.657 20 0 DHADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)[C@H]1C ZINC000360873501 336725198 /nfs/dbraw/zinc/72/51/98/336725198.db2.gz PZPFSFZDOURDMM-AOIWGVFYSA-N 2 2 315.505 3.708 20 0 DHADLP c1cn(CCCC2CC[NH+](Cc3nc4ccccc4o3)CC2)c[nH+]1 ZINC000361064063 336736345 /nfs/dbraw/zinc/73/63/45/336736345.db2.gz ZGVVHKCRHCDEKE-UHFFFAOYSA-N 2 2 324.428 3.717 20 0 DHADLP C[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361087836 336737952 /nfs/dbraw/zinc/73/79/52/336737952.db2.gz VDEZWXPZTROEEZ-QGZVFWFLSA-N 2 2 320.440 3.659 20 0 DHADLP CC1(c2cccc(Cl)c2)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000361550213 336762093 /nfs/dbraw/zinc/76/20/93/336762093.db2.gz QOMCUDAAFJFOCZ-UHFFFAOYSA-N 2 2 303.837 3.590 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000361923542 336778216 /nfs/dbraw/zinc/77/82/16/336778216.db2.gz DPWGWIFBHHFVJT-INIZCTEOSA-N 2 2 301.821 3.814 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000367843262 336830853 /nfs/dbraw/zinc/83/08/53/336830853.db2.gz QDFVUMNAYYYOHB-GFCCVEGCSA-N 2 2 312.804 3.616 20 0 DHADLP Clc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1Cl ZINC000370263289 336881130 /nfs/dbraw/zinc/88/11/30/336881130.db2.gz WMCNCILBMUYRSY-UHFFFAOYSA-N 2 2 310.228 3.816 20 0 DHADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)[C@H]1C[C@@H]1c1cccs1 ZINC000370278677 336881589 /nfs/dbraw/zinc/88/15/89/336881589.db2.gz ILKLOPJGUXACLX-IMJJTQAJSA-N 2 2 324.453 3.611 20 0 DHADLP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000370645683 336889480 /nfs/dbraw/zinc/88/94/80/336889480.db2.gz LNICGIZYRPIZFJ-MRXNPFEDSA-N 2 2 306.413 3.735 20 0 DHADLP CC[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccc(OC)cc1 ZINC000370650464 336889710 /nfs/dbraw/zinc/88/97/10/336889710.db2.gz DMUBYSKECDKFSK-SFHVURJKSA-N 2 2 322.412 3.517 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)CCC2 ZINC000370681142 336891068 /nfs/dbraw/zinc/89/10/68/336891068.db2.gz DJUPFTCOLVYKEF-NWDGAFQWSA-N 2 2 323.362 3.837 20 0 DHADLP COc1ccccc1C1CC([NH2+]Cc2c[nH+]c3c(C)cccn23)C1 ZINC000371799416 336913374 /nfs/dbraw/zinc/91/33/74/336913374.db2.gz ODAAKCZUXJIMKR-UHFFFAOYSA-N 2 2 321.424 3.687 20 0 DHADLP c1coc([C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)c2ccccc2)c1 ZINC000373261443 336954670 /nfs/dbraw/zinc/95/46/70/336954670.db2.gz VKEIFADHGQUKQB-WMZOPIPTSA-N 2 2 307.397 3.733 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)o1 ZINC000374269967 336985374 /nfs/dbraw/zinc/98/53/74/336985374.db2.gz KGWCANQQEGSUJG-KDOFPFPSSA-N 2 2 302.462 3.900 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCc1ccc(C)cc1)CCC2 ZINC000374578211 336992879 /nfs/dbraw/zinc/99/28/79/336992879.db2.gz URRUURLPPIHHKR-LPHOPBHVSA-N 2 2 311.473 3.988 20 0 DHADLP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000375265782 337006796 /nfs/dbraw/zinc/00/67/96/337006796.db2.gz CCXOIJZZUQAARM-MSOLQXFVSA-N 2 2 313.420 3.784 20 0 DHADLP CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccnc1 ZINC000375521331 337012707 /nfs/dbraw/zinc/01/27/07/337012707.db2.gz CSRLTIIIRTVSPD-GOSISDBHSA-N 2 2 310.445 3.576 20 0 DHADLP c1ccc(N2CCC([NH2+][C@H](c3cccnc3)C3CCC3)CC2)[nH+]c1 ZINC000375529149 337012904 /nfs/dbraw/zinc/01/29/04/337012904.db2.gz ZUECFLCYGOYRRX-FQEVSTJZSA-N 2 2 322.456 3.576 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C/C=C/c1ccc(F)c(F)c1)CCC2 ZINC000375787252 337019549 /nfs/dbraw/zinc/01/95/49/337019549.db2.gz GWQASRQBDSBJQM-OMDKTOEGSA-N 2 2 317.383 3.650 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000375801905 337019838 /nfs/dbraw/zinc/01/98/38/337019838.db2.gz OTFBFMZPZIBNCS-HNNXBMFYSA-N 2 2 315.486 3.767 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000375860132 337021705 /nfs/dbraw/zinc/02/17/05/337021705.db2.gz LRRAFIMMVPNPAX-HNNXBMFYSA-N 2 2 318.852 3.892 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000375860132 337021706 /nfs/dbraw/zinc/02/17/06/337021706.db2.gz LRRAFIMMVPNPAX-HNNXBMFYSA-N 2 2 318.852 3.892 20 0 DHADLP C[C@H]([NH2+]CCc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000122778079 337023760 /nfs/dbraw/zinc/02/37/60/337023760.db2.gz JMPBKOFJDJKOFA-HNNXBMFYSA-N 2 2 309.388 3.905 20 0 DHADLP Fc1cccc(C[NH+]2CCC([NH2+]CCc3ccsc3)CC2)c1 ZINC000122952605 337030865 /nfs/dbraw/zinc/03/08/65/337030865.db2.gz SZVKZTLDWYERPD-UHFFFAOYSA-N 2 2 318.461 3.684 20 0 DHADLP Cc1cc(NCc2c[nH+]c3n2CCCC3)c2cccc(F)c2[nH+]1 ZINC000376471938 337034196 /nfs/dbraw/zinc/03/41/96/337034196.db2.gz BSELINBLBBUYMI-UHFFFAOYSA-N 2 2 310.376 3.827 20 0 DHADLP c1csc(-c2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cs2)c1 ZINC000376493753 337034917 /nfs/dbraw/zinc/03/49/17/337034917.db2.gz XBXLZYHTFGLJAJ-OCCSQVGLSA-N 2 2 319.499 3.588 20 0 DHADLP c1csc(-c2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cs2)c1 ZINC000376493753 337034918 /nfs/dbraw/zinc/03/49/18/337034918.db2.gz XBXLZYHTFGLJAJ-OCCSQVGLSA-N 2 2 319.499 3.588 20 0 DHADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCS3)CC2)cc1 ZINC000168691599 337035798 /nfs/dbraw/zinc/03/57/98/337035798.db2.gz LEPVYBHGCWTWNR-KRWDZBQOSA-N 2 2 324.921 3.790 20 0 DHADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000376535483 337036056 /nfs/dbraw/zinc/03/60/56/337036056.db2.gz VQFPSZYTHHIXOR-PRLABOORSA-N 2 2 318.427 3.914 20 0 DHADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000376535483 337036057 /nfs/dbraw/zinc/03/60/57/337036057.db2.gz VQFPSZYTHHIXOR-PRLABOORSA-N 2 2 318.427 3.914 20 0 DHADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000376535481 337036114 /nfs/dbraw/zinc/03/61/14/337036114.db2.gz VQFPSZYTHHIXOR-LMPOIIKSSA-N 2 2 318.427 3.914 20 0 DHADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000376535481 337036115 /nfs/dbraw/zinc/03/61/15/337036115.db2.gz VQFPSZYTHHIXOR-LMPOIIKSSA-N 2 2 318.427 3.914 20 0 DHADLP CCSc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376730780 337040158 /nfs/dbraw/zinc/04/01/58/337040158.db2.gz ZHFJZBPAIHGRDO-UHFFFAOYSA-N 2 2 301.459 3.621 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)CC[N@@H+]1C ZINC000123488740 337048670 /nfs/dbraw/zinc/04/86/70/337048670.db2.gz CDPMHZKYZYRWDH-HIFRSBDPSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)CC[N@H+]1C ZINC000123488740 337048671 /nfs/dbraw/zinc/04/86/71/337048671.db2.gz CDPMHZKYZYRWDH-HIFRSBDPSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2c(Cl)ccc3cccnc32)CC[NH+]1C ZINC000123488740 337048672 /nfs/dbraw/zinc/04/86/72/337048672.db2.gz CDPMHZKYZYRWDH-HIFRSBDPSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c(Cl)ccc3cccnc32)CC[NH+]1C ZINC000123488740 337048673 /nfs/dbraw/zinc/04/86/73/337048673.db2.gz CDPMHZKYZYRWDH-HIFRSBDPSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000377373809 337051222 /nfs/dbraw/zinc/05/12/22/337051222.db2.gz USPRWYMFFKNNRI-HKUYNNGSSA-N 2 2 320.521 3.817 20 0 DHADLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000377373809 337051223 /nfs/dbraw/zinc/05/12/23/337051223.db2.gz USPRWYMFFKNNRI-HKUYNNGSSA-N 2 2 320.521 3.817 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000377670539 337058098 /nfs/dbraw/zinc/05/80/98/337058098.db2.gz FPSCWRQZXPNGIZ-MRXNPFEDSA-N 2 2 317.408 3.647 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000377670539 337058099 /nfs/dbraw/zinc/05/80/99/337058099.db2.gz FPSCWRQZXPNGIZ-MRXNPFEDSA-N 2 2 317.408 3.647 20 0 DHADLP CCSc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377888902 337063499 /nfs/dbraw/zinc/06/34/99/337063499.db2.gz MMINEPSHSIEOJD-HNNXBMFYSA-N 2 2 301.459 3.522 20 0 DHADLP CCSc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377888902 337063500 /nfs/dbraw/zinc/06/35/00/337063500.db2.gz MMINEPSHSIEOJD-HNNXBMFYSA-N 2 2 301.459 3.522 20 0 DHADLP CCSc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377888903 337063594 /nfs/dbraw/zinc/06/35/94/337063594.db2.gz MMINEPSHSIEOJD-OAHLLOKOSA-N 2 2 301.459 3.522 20 0 DHADLP CCSc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377888903 337063595 /nfs/dbraw/zinc/06/35/95/337063595.db2.gz MMINEPSHSIEOJD-OAHLLOKOSA-N 2 2 301.459 3.522 20 0 DHADLP Cn1cc[nH+]c1-c1cccc(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000360063452 337084837 /nfs/dbraw/zinc/08/48/37/337084837.db2.gz ZEGMEHRUSOWHFB-UHFFFAOYSA-N 2 2 316.408 3.858 20 0 DHADLP CC(C)c1nc(NCc2ccccc2C[NH+]2CCCC2)cc[nH+]1 ZINC000171675425 337087196 /nfs/dbraw/zinc/08/71/96/337087196.db2.gz SRNITDBFWMRRMK-UHFFFAOYSA-N 2 2 310.445 3.808 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)c2cccc(Cl)c2F)n1C ZINC000583704587 337092391 /nfs/dbraw/zinc/09/23/91/337092391.db2.gz KZMXMNILJWCHRY-UHFFFAOYSA-N 2 2 309.816 3.588 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000582752673 337133895 /nfs/dbraw/zinc/13/38/95/337133895.db2.gz ZELJJXBLOUZCLK-OAQYLSRUSA-N 2 2 323.484 3.923 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000582752673 337133896 /nfs/dbraw/zinc/13/38/96/337133896.db2.gz ZELJJXBLOUZCLK-OAQYLSRUSA-N 2 2 323.484 3.923 20 0 DHADLP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000582761984 337137910 /nfs/dbraw/zinc/13/79/10/337137910.db2.gz COGRIHATPHNAAK-MRXNPFEDSA-N 2 2 313.445 3.566 20 0 DHADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000582761984 337137911 /nfs/dbraw/zinc/13/79/11/337137911.db2.gz COGRIHATPHNAAK-MRXNPFEDSA-N 2 2 313.445 3.566 20 0 DHADLP CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199631 337161275 /nfs/dbraw/zinc/16/12/75/337161275.db2.gz OVWBNIIVJQHQQX-DOTOQJQBSA-N 2 2 301.434 3.728 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cscn2)CC1 ZINC000178388389 337164250 /nfs/dbraw/zinc/16/42/50/337164250.db2.gz BRZOQNBUHVHYLK-OAHLLOKOSA-N 2 2 307.507 3.620 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cscn2)CC1 ZINC000178388389 337164251 /nfs/dbraw/zinc/16/42/51/337164251.db2.gz BRZOQNBUHVHYLK-OAHLLOKOSA-N 2 2 307.507 3.620 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccsc1 ZINC000178623963 337165611 /nfs/dbraw/zinc/16/56/11/337165611.db2.gz BJFHTXRQTVTWPF-LBPRGKRZSA-N 2 2 301.390 3.924 20 0 DHADLP C[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000182912121 337190815 /nfs/dbraw/zinc/19/08/15/337190815.db2.gz SDUFPTJIIBDGLL-QAPCUYQASA-N 2 2 301.409 3.538 20 0 DHADLP C[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000182912121 337190816 /nfs/dbraw/zinc/19/08/16/337190816.db2.gz SDUFPTJIIBDGLL-QAPCUYQASA-N 2 2 301.409 3.538 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+]CCCC3CCCCC3)CC2)nc1 ZINC000583051555 337230071 /nfs/dbraw/zinc/23/00/71/337230071.db2.gz UTVMPBMPBAOHLN-UHFFFAOYSA-N 2 2 315.505 3.996 20 0 DHADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000583032038 337231208 /nfs/dbraw/zinc/23/12/08/337231208.db2.gz IHZZQJSWJJTZTM-KRWDZBQOSA-N 2 2 321.827 3.577 20 0 DHADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000583032038 337231209 /nfs/dbraw/zinc/23/12/09/337231209.db2.gz IHZZQJSWJJTZTM-KRWDZBQOSA-N 2 2 321.827 3.577 20 0 DHADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000188024866 337270240 /nfs/dbraw/zinc/27/02/40/337270240.db2.gz OBLMQDDOTAMERN-DLBZAZTESA-N 2 2 324.472 3.661 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccsc1Br ZINC000397528488 337272634 /nfs/dbraw/zinc/27/26/34/337272634.db2.gz VAFWXDQSABJFHR-UHFFFAOYSA-N 2 2 311.248 3.546 20 0 DHADLP c1cncc(C[NH+]2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)c1 ZINC000188719899 337274526 /nfs/dbraw/zinc/27/45/26/337274526.db2.gz QZPUBPCSFGXDQO-UHFFFAOYSA-N 2 2 321.468 3.713 20 0 DHADLP CCOC1CC(CC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000188788152 337275139 /nfs/dbraw/zinc/27/51/39/337275139.db2.gz CLZJCYKDIVJHFY-YMPIPDKKSA-N 2 2 316.489 3.617 20 0 DHADLP CCOC1CC(CC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000188788152 337275140 /nfs/dbraw/zinc/27/51/40/337275140.db2.gz CLZJCYKDIVJHFY-YMPIPDKKSA-N 2 2 316.489 3.617 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000321632020 337279914 /nfs/dbraw/zinc/27/99/14/337279914.db2.gz VTWOPNYEEGISJG-KSSFIOAISA-N 2 2 310.441 3.736 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000321632020 337279915 /nfs/dbraw/zinc/27/99/15/337279915.db2.gz VTWOPNYEEGISJG-KSSFIOAISA-N 2 2 310.441 3.736 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1cc2ccccc2o1 ZINC000190585499 337288301 /nfs/dbraw/zinc/28/83/01/337288301.db2.gz BAUONJXBMKYPMV-CQSZACIVSA-N 2 2 318.380 3.864 20 0 DHADLP FC(F)(F)CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000191245006 337295110 /nfs/dbraw/zinc/29/51/10/337295110.db2.gz IKYQTWGZDPAGKT-UHFFFAOYSA-N 2 2 311.351 3.728 20 0 DHADLP FC(F)(F)CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000191245006 337295111 /nfs/dbraw/zinc/29/51/11/337295111.db2.gz IKYQTWGZDPAGKT-UHFFFAOYSA-N 2 2 311.351 3.728 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000192135244 337303064 /nfs/dbraw/zinc/30/30/64/337303064.db2.gz WNWBHLOPHZJCIE-INIZCTEOSA-N 2 2 306.413 3.769 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000192135244 337303065 /nfs/dbraw/zinc/30/30/65/337303065.db2.gz WNWBHLOPHZJCIE-INIZCTEOSA-N 2 2 306.413 3.769 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1nccs1 ZINC000192177818 337303741 /nfs/dbraw/zinc/30/37/41/337303741.db2.gz KUCMWKBKBABDKN-INIZCTEOSA-N 2 2 312.442 3.878 20 0 DHADLP Fc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)ccc1Cl ZINC000525953834 337310310 /nfs/dbraw/zinc/31/03/10/337310310.db2.gz QQUXDQJVEAOQNF-UHFFFAOYSA-N 2 2 319.811 3.951 20 0 DHADLP c1ccc2sc([C@H]3CCC[N@H+]3CCC[NH+]3CCCC3)nc2c1 ZINC000193464819 337326809 /nfs/dbraw/zinc/32/68/09/337326809.db2.gz VZJBHPMWXBFTHN-MRXNPFEDSA-N 2 2 315.486 3.919 20 0 DHADLP c1ccc2sc([C@H]3CCC[N@@H+]3CCC[NH+]3CCCC3)nc2c1 ZINC000193464819 337326810 /nfs/dbraw/zinc/32/68/10/337326810.db2.gz VZJBHPMWXBFTHN-MRXNPFEDSA-N 2 2 315.486 3.919 20 0 DHADLP FC(F)Oc1ccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000111300136 337389688 /nfs/dbraw/zinc/38/96/88/337389688.db2.gz VLMRJRPWTRAFAG-UHFFFAOYSA-N 2 2 324.415 3.785 20 0 DHADLP CO[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)CC(C)C ZINC000419237354 337477494 /nfs/dbraw/zinc/47/74/94/337477494.db2.gz BZVUEZWTBCCZPR-MAUKXSAKSA-N 2 2 301.434 3.584 20 0 DHADLP [NH3+][C@H]1CCC[C@@H](CNc2[nH+]cccc2OCc2ccccc2)C1 ZINC000420272967 337498167 /nfs/dbraw/zinc/49/81/67/337498167.db2.gz DSUVFMOTJXVUIX-SJORKVTESA-N 2 2 311.429 3.590 20 0 DHADLP CCC1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000075809217 337559878 /nfs/dbraw/zinc/55/98/78/337559878.db2.gz HUTBIFMKKFRJSJ-UHFFFAOYSA-N 2 2 301.478 3.604 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H](c1ccccc1)[NH+](C)C ZINC000572292149 337606441 /nfs/dbraw/zinc/60/64/41/337606441.db2.gz SPNJIRWRLBAKBO-ONGXBYRLSA-N 2 2 319.452 3.827 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccncc1Cl ZINC000421822930 337645977 /nfs/dbraw/zinc/64/59/77/337645977.db2.gz BROWHYRMVHVGRQ-ZDUSSCGKSA-N 2 2 304.825 3.673 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)on1 ZINC000422780884 337686326 /nfs/dbraw/zinc/68/63/26/337686326.db2.gz HTSUHVZQJCNPOP-IXDOHACOSA-N 2 2 305.466 3.589 20 0 DHADLP Fc1cccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2cccc(Cl)c2)c1 ZINC000422872789 337689334 /nfs/dbraw/zinc/68/93/34/337689334.db2.gz IQDOYGJPZMMEMB-SFHVURJKSA-N 2 2 318.823 3.910 20 0 DHADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422909411 337690890 /nfs/dbraw/zinc/69/08/90/337690890.db2.gz FVDFVWRHPOVYSL-QANKJYHBSA-N 2 2 320.440 3.852 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2N2CCCCC2)c2ccccc21 ZINC000423043265 337696888 /nfs/dbraw/zinc/69/68/88/337696888.db2.gz OBJZJWPQXFPHMK-VQTJNVASSA-N 2 2 321.468 3.911 20 0 DHADLP [NH3+]CCC[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000423183782 337702857 /nfs/dbraw/zinc/70/28/57/337702857.db2.gz HPSSGWJXDLKWGZ-INIZCTEOSA-N 2 2 310.775 3.646 20 0 DHADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000423244718 337707007 /nfs/dbraw/zinc/70/70/07/337707007.db2.gz LVUYWQDGJFVZRO-OAHLLOKOSA-N 2 2 315.486 3.695 20 0 DHADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000423266204 337708156 /nfs/dbraw/zinc/70/81/56/337708156.db2.gz DGEXNGNBMMXAOK-BXKDBHETSA-N 2 2 306.784 3.575 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000423383475 337717844 /nfs/dbraw/zinc/71/78/44/337717844.db2.gz PEGLZIJEMSGQTR-JTNHKYCSSA-N 2 2 311.267 3.585 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(Cl)s1 ZINC000423527321 337724663 /nfs/dbraw/zinc/72/46/63/337724663.db2.gz MHDXNFPMZWQMFM-FPMFFAJLSA-N 2 2 306.862 3.808 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423542336 337725224 /nfs/dbraw/zinc/72/52/24/337725224.db2.gz ATBNVBRLTGBODV-TZMCWYRMSA-N 2 2 314.445 3.837 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000325437662 337732175 /nfs/dbraw/zinc/73/21/75/337732175.db2.gz TYBKICPCVNLQGX-UWJYYQICSA-N 2 2 324.468 3.750 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3[C@H]4Cc5cc(Cl)ccc5[C@@H]34)n2c1 ZINC000527748938 337761254 /nfs/dbraw/zinc/76/12/54/337761254.db2.gz GVKVENUYECTFHW-QXAKKESOSA-N 2 2 323.827 3.724 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H](c3ccccn3)C3CCC3)c2)c[nH+]1 ZINC000527775208 337762869 /nfs/dbraw/zinc/76/28/69/337762869.db2.gz ZOXUYUJKUVARCG-GOSISDBHSA-N 2 2 324.453 3.960 20 0 DHADLP COc1cccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC23CC3)[NH+]2CCCC2)c1 ZINC000527844037 337768277 /nfs/dbraw/zinc/76/82/77/337768277.db2.gz GZIKFDLZCFKLCT-SNRMKQJTSA-N 2 2 314.473 3.610 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1ncccc1F ZINC000528036539 337782515 /nfs/dbraw/zinc/78/25/15/337782515.db2.gz RQXBLQANFAEPLQ-ZOBUZTSGSA-N 2 2 319.468 3.914 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ncccc1F ZINC000528036536 337782548 /nfs/dbraw/zinc/78/25/48/337782548.db2.gz RQXBLQANFAEPLQ-HLLBOEOZSA-N 2 2 319.468 3.914 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(Br)s1 ZINC000516188415 338006276 /nfs/dbraw/zinc/00/62/76/338006276.db2.gz BNYKNSCEJWFIPP-UHFFFAOYSA-N 2 2 319.312 3.593 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(Br)s1 ZINC000516188415 338006277 /nfs/dbraw/zinc/00/62/77/338006277.db2.gz BNYKNSCEJWFIPP-UHFFFAOYSA-N 2 2 319.312 3.593 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C(C1CC1)C1CC1 ZINC000516398001 338011793 /nfs/dbraw/zinc/01/17/93/338011793.db2.gz LQPMRUKHNPSXOG-UHFFFAOYSA-N 2 2 301.821 3.804 20 0 DHADLP CCCc1csc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000426412001 338031150 /nfs/dbraw/zinc/03/11/50/338031150.db2.gz SOFSQIFUIPYDBN-MRXNPFEDSA-N 2 2 307.507 3.546 20 0 DHADLP CCCc1csc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000426412001 338031151 /nfs/dbraw/zinc/03/11/51/338031151.db2.gz SOFSQIFUIPYDBN-MRXNPFEDSA-N 2 2 307.507 3.546 20 0 DHADLP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000428268896 338044991 /nfs/dbraw/zinc/04/49/91/338044991.db2.gz GWTIPFPMJRIZCP-CGTJXYLNSA-N 2 2 301.478 3.667 20 0 DHADLP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000428268896 338044992 /nfs/dbraw/zinc/04/49/92/338044992.db2.gz GWTIPFPMJRIZCP-CGTJXYLNSA-N 2 2 301.478 3.667 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000428363992 338048898 /nfs/dbraw/zinc/04/88/98/338048898.db2.gz RMYWFZKTEZUMLF-AWEZNQCLSA-N 2 2 324.428 3.972 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)C(C)(C)C ZINC000428890171 338064587 /nfs/dbraw/zinc/06/45/87/338064587.db2.gz SRLIAMCWCHBJQV-HNNXBMFYSA-N 2 2 323.481 3.891 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429027644 338069389 /nfs/dbraw/zinc/06/93/89/338069389.db2.gz BHMLGQHGSPMVEB-XJKSGUPXSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429027644 338069390 /nfs/dbraw/zinc/06/93/90/338069390.db2.gz BHMLGQHGSPMVEB-XJKSGUPXSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H](c1ccccc1Br)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429027644 338069391 /nfs/dbraw/zinc/06/93/91/338069391.db2.gz BHMLGQHGSPMVEB-XJKSGUPXSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H](c1ccccc1Br)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429027644 338069392 /nfs/dbraw/zinc/06/93/92/338069392.db2.gz BHMLGQHGSPMVEB-XJKSGUPXSA-N 2 2 323.278 3.538 20 0 DHADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)CC2(OC)CCC2)[NH+](C)C)cc1 ZINC000429369987 338078898 /nfs/dbraw/zinc/07/88/98/338078898.db2.gz ZRGUEZQYMCFKCN-QFBILLFUSA-N 2 2 318.505 3.789 20 0 DHADLP CC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429708201 338087962 /nfs/dbraw/zinc/08/79/62/338087962.db2.gz LMKXZSBBRSRASL-UXHICEINSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429708201 338087963 /nfs/dbraw/zinc/08/79/63/338087963.db2.gz LMKXZSBBRSRASL-UXHICEINSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429708201 338087964 /nfs/dbraw/zinc/08/79/64/338087964.db2.gz LMKXZSBBRSRASL-UXHICEINSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429708201 338087965 /nfs/dbraw/zinc/08/79/65/338087965.db2.gz LMKXZSBBRSRASL-UXHICEINSA-N 2 2 316.489 3.542 20 0 DHADLP Cc1c(Cl)c(C[NH2+][C@@](C)(C[NH3+])C(C)C)nc2ccccc12 ZINC000430567840 338108806 /nfs/dbraw/zinc/10/88/06/338108806.db2.gz GKUAGEQXJAWSER-KRWDZBQOSA-N 2 2 305.853 3.660 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000430768666 338114406 /nfs/dbraw/zinc/11/44/06/338114406.db2.gz PTOKXTUGRNMBHJ-NJAFHUGGSA-N 2 2 322.443 3.922 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000430768666 338114407 /nfs/dbraw/zinc/11/44/07/338114407.db2.gz PTOKXTUGRNMBHJ-NJAFHUGGSA-N 2 2 322.443 3.922 20 0 DHADLP C[C@@H](C[NH2+]Cc1csc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000432228716 338149190 /nfs/dbraw/zinc/14/91/90/338149190.db2.gz LMKXJARUNMAZLH-JTQLQIEISA-N 2 2 307.290 3.876 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[N@@H+]1C ZINC000432244251 338150285 /nfs/dbraw/zinc/15/02/85/338150285.db2.gz CHCWYQUEPNAOSN-ONGXEEELSA-N 2 2 305.224 3.705 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[N@H+]1C ZINC000432244251 338150286 /nfs/dbraw/zinc/15/02/86/338150286.db2.gz CHCWYQUEPNAOSN-ONGXEEELSA-N 2 2 305.224 3.705 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000433038376 338177844 /nfs/dbraw/zinc/17/78/44/338177844.db2.gz JTLXEYMFWIWKKP-SQGPQFPESA-N 2 2 324.468 3.953 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000433038376 338177845 /nfs/dbraw/zinc/17/78/45/338177845.db2.gz JTLXEYMFWIWKKP-SQGPQFPESA-N 2 2 324.468 3.953 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]Cc1ncc(C(F)(F)F)s1)C(C)(C)C ZINC000433336599 338193099 /nfs/dbraw/zinc/19/30/99/338193099.db2.gz AANYOPFAIRASKP-JTQLQIEISA-N 2 2 323.428 3.618 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435050180 338231016 /nfs/dbraw/zinc/23/10/16/338231016.db2.gz KGAPOXPBKPTYRM-DNVCBOLYSA-N 2 2 314.404 3.695 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435050180 338231017 /nfs/dbraw/zinc/23/10/17/338231017.db2.gz KGAPOXPBKPTYRM-DNVCBOLYSA-N 2 2 314.404 3.695 20 0 DHADLP FC1(c2ccccc2)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000435058342 338231395 /nfs/dbraw/zinc/23/13/95/338231395.db2.gz MQRJHTQBPNTELX-UHFFFAOYSA-N 2 2 309.388 3.795 20 0 DHADLP CC[N@H+](Cc1nc(-c2ccccc2)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435378326 338238275 /nfs/dbraw/zinc/23/82/75/338238275.db2.gz CYMNOEKKRKVONB-MRXNPFEDSA-N 2 2 315.486 3.774 20 0 DHADLP CC[N@@H+](Cc1nc(-c2ccccc2)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435378326 338238276 /nfs/dbraw/zinc/23/82/76/338238276.db2.gz CYMNOEKKRKVONB-MRXNPFEDSA-N 2 2 315.486 3.774 20 0 DHADLP c1c(CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)[nH+]c2ccccn12 ZINC000436235804 338262777 /nfs/dbraw/zinc/26/27/77/338262777.db2.gz CANZULDNGLHNEU-RBUKOAKNSA-N 2 2 319.452 3.878 20 0 DHADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000438480640 338345425 /nfs/dbraw/zinc/34/54/25/338345425.db2.gz TVJTZJJQZPVMGL-OAHLLOKOSA-N 2 2 311.351 3.939 20 0 DHADLP COc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc2ccccc21 ZINC000449011806 338583033 /nfs/dbraw/zinc/58/30/33/338583033.db2.gz UZLWILPPTNUFSI-UHFFFAOYSA-N 2 2 324.468 3.909 20 0 DHADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCCC1 ZINC000449089892 338592301 /nfs/dbraw/zinc/59/23/01/338592301.db2.gz LRZLYGFSNHBGNA-HXUWFJFHSA-N 2 2 315.505 3.995 20 0 DHADLP C[C@@H](C[NH2+]Cc1cc(Cl)sc1Cl)Cn1cc[nH+]c1 ZINC000449102690 338593665 /nfs/dbraw/zinc/59/36/65/338593665.db2.gz KXZMPHFZFAEGFB-VIFPVBQESA-N 2 2 304.246 3.677 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCC1 ZINC000449215950 338603036 /nfs/dbraw/zinc/60/30/36/338603036.db2.gz ZLGGQDKHVDMRES-KXBFYZLASA-N 2 2 301.478 3.775 20 0 DHADLP C[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)c1cc(F)cc(F)c1 ZINC000449218541 338603373 /nfs/dbraw/zinc/60/33/73/338603373.db2.gz JJXCCSZSQNVVLX-ZDUSSCGKSA-N 2 2 315.367 3.548 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CSC[C@H]3C)ccc2n1C1CC1 ZINC000449309865 338611739 /nfs/dbraw/zinc/61/17/39/338611739.db2.gz FNKBHMAVAGZNPI-MLGOLLRUSA-N 2 2 315.486 3.775 20 0 DHADLP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449404824 338621386 /nfs/dbraw/zinc/62/13/86/338621386.db2.gz FPGMXHCOINVXON-MOPGFXCFSA-N 2 2 315.505 3.852 20 0 DHADLP CCCc1ncc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000449613769 338641195 /nfs/dbraw/zinc/64/11/95/338641195.db2.gz SXEUDNWOOIYGST-WBVHZDCISA-N 2 2 319.493 3.760 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H](C2CC2)C2CCC2)[nH+]1 ZINC000453087691 338792231 /nfs/dbraw/zinc/79/22/31/338792231.db2.gz PYHNANOAVMSTES-FQEVSTJZSA-N 2 2 309.457 3.642 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000453116161 338795597 /nfs/dbraw/zinc/79/55/97/338795597.db2.gz HZOOUDUXDRLZOD-KRWDZBQOSA-N 2 2 320.440 3.768 20 0 DHADLP C[C@H]1C[C@@H](Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c2[nH+]ccn21 ZINC000453187179 338804581 /nfs/dbraw/zinc/80/45/81/338804581.db2.gz COEKYRCNXOTOQG-XHDPSFHLSA-N 2 2 307.401 3.765 20 0 DHADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@]1(C)CCCO1 ZINC000453233076 338811571 /nfs/dbraw/zinc/81/15/71/338811571.db2.gz JKCJQCFGLBIIME-SUMWQHHRSA-N 2 2 319.836 3.573 20 0 DHADLP CCCc1ncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000453347353 338828791 /nfs/dbraw/zinc/82/87/91/338828791.db2.gz ALWPMBBFDZVLSC-CQSZACIVSA-N 2 2 310.401 3.664 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000459314092 339021139 /nfs/dbraw/zinc/02/11/39/339021139.db2.gz YXOKJVGZZFOOIX-UHFFFAOYSA-N 2 2 324.255 3.934 20 0 DHADLP c1ccc([C@@H]2C[C@H]2C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000459331934 339022397 /nfs/dbraw/zinc/02/23/97/339022397.db2.gz XBQWDJCIWINMJV-WDSOQIARSA-N 2 2 307.441 3.619 20 0 DHADLP c1ccc([C@@H]2C[C@H]2C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000459331934 339022398 /nfs/dbraw/zinc/02/23/98/339022398.db2.gz XBQWDJCIWINMJV-WDSOQIARSA-N 2 2 307.441 3.619 20 0 DHADLP Cc1ccccc1C1CC([N@H+](CCc2c[nH+]cn2C)C2CC2)C1 ZINC000459334377 339022451 /nfs/dbraw/zinc/02/24/51/339022451.db2.gz DWBBLXGXZJPOTK-UHFFFAOYSA-N 2 2 309.457 3.682 20 0 DHADLP Cc1ccccc1C1CC([N@@H+](CCc2c[nH+]cn2C)C2CC2)C1 ZINC000459334377 339022452 /nfs/dbraw/zinc/02/24/52/339022452.db2.gz DWBBLXGXZJPOTK-UHFFFAOYSA-N 2 2 309.457 3.682 20 0 DHADLP CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCc2c[nH+]cn2C)o1 ZINC000459367941 339024957 /nfs/dbraw/zinc/02/49/57/339024957.db2.gz VTQOHXWOEMQDSP-RHSMWYFYSA-N 2 2 301.434 3.591 20 0 DHADLP CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCc2c[nH+]cn2C)o1 ZINC000459367941 339024958 /nfs/dbraw/zinc/02/49/58/339024958.db2.gz VTQOHXWOEMQDSP-RHSMWYFYSA-N 2 2 301.434 3.591 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000459519076 339033733 /nfs/dbraw/zinc/03/37/33/339033733.db2.gz SDGBWMWICVMNFG-QGZVFWFLSA-N 2 2 303.837 3.843 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000459519076 339033734 /nfs/dbraw/zinc/03/37/34/339033734.db2.gz SDGBWMWICVMNFG-QGZVFWFLSA-N 2 2 303.837 3.843 20 0 DHADLP Cc1ccc(CCC[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)c[nH+]1 ZINC000459581365 339037158 /nfs/dbraw/zinc/03/71/58/339037158.db2.gz LAFIZEVGRFDTIB-UHFFFAOYSA-N 2 2 320.440 3.845 20 0 DHADLP Cc1ccc(CCC[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)c[nH+]1 ZINC000459581365 339037159 /nfs/dbraw/zinc/03/71/59/339037159.db2.gz LAFIZEVGRFDTIB-UHFFFAOYSA-N 2 2 320.440 3.845 20 0 DHADLP CC(C)[C@H]1[N@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCCCC2 ZINC000459784017 339048428 /nfs/dbraw/zinc/04/84/28/339048428.db2.gz NVGUMXVHDHELEW-QGZVFWFLSA-N 2 2 321.534 3.995 20 0 DHADLP CC(C)[C@H]1[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCCCC2 ZINC000459784017 339048429 /nfs/dbraw/zinc/04/84/29/339048429.db2.gz NVGUMXVHDHELEW-QGZVFWFLSA-N 2 2 321.534 3.995 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463028727 339101413 /nfs/dbraw/zinc/10/14/13/339101413.db2.gz OUEBTVKZJGZRHD-ZBFHGGJFSA-N 2 2 302.462 3.751 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463028727 339101414 /nfs/dbraw/zinc/10/14/14/339101414.db2.gz OUEBTVKZJGZRHD-ZBFHGGJFSA-N 2 2 302.462 3.751 20 0 DHADLP CCCCOc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1Cl ZINC000466915242 339221348 /nfs/dbraw/zinc/22/13/48/339221348.db2.gz HWRDKYGYWXVTMV-XJKSGUPXSA-N 2 2 310.869 3.559 20 0 DHADLP CCCCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000466915242 339221349 /nfs/dbraw/zinc/22/13/49/339221349.db2.gz HWRDKYGYWXVTMV-XJKSGUPXSA-N 2 2 310.869 3.559 20 0 DHADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000467311778 339231256 /nfs/dbraw/zinc/23/12/56/339231256.db2.gz WADNGVMHLLJHHA-RBUKOAKNSA-N 2 2 315.505 3.882 20 0 DHADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467352399 339233372 /nfs/dbraw/zinc/23/33/72/339233372.db2.gz GUMJVRAEFQSQPR-ZDUSSCGKSA-N 2 2 302.384 3.566 20 0 DHADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467352399 339233373 /nfs/dbraw/zinc/23/33/73/339233373.db2.gz GUMJVRAEFQSQPR-ZDUSSCGKSA-N 2 2 302.384 3.566 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000467386102 339236004 /nfs/dbraw/zinc/23/60/04/339236004.db2.gz UEODJSVUKFESQP-MLGOLLRUSA-N 2 2 312.379 3.586 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000467386102 339236005 /nfs/dbraw/zinc/23/60/05/339236005.db2.gz UEODJSVUKFESQP-MLGOLLRUSA-N 2 2 312.379 3.586 20 0 DHADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000467388170 339236100 /nfs/dbraw/zinc/23/61/00/339236100.db2.gz JNLLIPYXRBFSAA-RBUKOAKNSA-N 2 2 313.489 3.658 20 0 DHADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000467388170 339236101 /nfs/dbraw/zinc/23/61/01/339236101.db2.gz JNLLIPYXRBFSAA-RBUKOAKNSA-N 2 2 313.489 3.658 20 0 DHADLP C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000468689535 339268564 /nfs/dbraw/zinc/26/85/64/339268564.db2.gz UOFNZLIVZOKNAZ-HXUWFJFHSA-N 2 2 305.425 3.932 20 0 DHADLP C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000468689535 339268565 /nfs/dbraw/zinc/26/85/65/339268565.db2.gz UOFNZLIVZOKNAZ-HXUWFJFHSA-N 2 2 305.425 3.932 20 0 DHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000469849238 339302645 /nfs/dbraw/zinc/30/26/45/339302645.db2.gz QVGOQALTSJJYAA-NEPJUHHUSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000469849238 339302646 /nfs/dbraw/zinc/30/26/46/339302646.db2.gz QVGOQALTSJJYAA-NEPJUHHUSA-N 2 2 321.877 3.633 20 0 DHADLP C[NH2+]C1CC[NH+](Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000470016877 339308648 /nfs/dbraw/zinc/30/86/48/339308648.db2.gz GLBZXHZRWBBBOG-UHFFFAOYSA-N 2 2 320.383 3.625 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC000470161490 339312206 /nfs/dbraw/zinc/31/22/06/339312206.db2.gz SHCRVWAGPFDWHT-FXAWDEMLSA-N 2 2 316.489 3.618 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC000470161490 339312207 /nfs/dbraw/zinc/31/22/07/339312207.db2.gz SHCRVWAGPFDWHT-FXAWDEMLSA-N 2 2 316.489 3.618 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](C)CC1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000472039941 339360042 /nfs/dbraw/zinc/36/00/42/339360042.db2.gz ZYZNKXMXMVTSSX-QKLQHJQFSA-N 2 2 318.505 3.720 20 0 DHADLP Cc1ccc(SC[C@H](C)[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000472131123 339363697 /nfs/dbraw/zinc/36/36/97/339363697.db2.gz VRZUNTYPIRXKLT-HNNXBMFYSA-N 2 2 311.454 3.913 20 0 DHADLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000474031125 339397930 /nfs/dbraw/zinc/39/79/30/339397930.db2.gz GZSYEPBLOPWPRA-MAUKXSAKSA-N 2 2 324.459 3.963 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000474055798 339399590 /nfs/dbraw/zinc/39/95/90/339399590.db2.gz SUBCJSGMKPBJNI-GBESFXJTSA-N 2 2 314.473 3.634 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000474055798 339399591 /nfs/dbraw/zinc/39/95/91/339399591.db2.gz SUBCJSGMKPBJNI-GBESFXJTSA-N 2 2 314.473 3.634 20 0 DHADLP CCC(CC)[C@@H]1C[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)CCO1 ZINC000474932157 339431820 /nfs/dbraw/zinc/43/18/20/339431820.db2.gz UALJOOQURQYRJJ-OALUTQOASA-N 2 2 304.478 3.896 20 0 DHADLP CCCCOc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475558052 339455061 /nfs/dbraw/zinc/45/50/61/339455061.db2.gz GWZOJYCNBSLUOM-UHFFFAOYSA-N 2 2 316.489 3.972 20 0 DHADLP C[NH+](C)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000480093322 339558968 /nfs/dbraw/zinc/55/89/68/339558968.db2.gz NQMBDMWLGXPFIN-UHFFFAOYSA-N 3 2 321.553 3.638 20 0 DHADLP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000480251238 339565232 /nfs/dbraw/zinc/56/52/32/339565232.db2.gz SNYCSIUPFNGYOB-HOCLYGCPSA-N 2 2 316.411 3.870 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000482168446 339625400 /nfs/dbraw/zinc/62/54/00/339625400.db2.gz HXEIGBSBNISNPB-LBPRGKRZSA-N 2 2 312.244 3.801 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc2ccccc2c1 ZINC000484474522 339686933 /nfs/dbraw/zinc/68/69/33/339686933.db2.gz LXIRXRHBLNLPMT-BEFAXECRSA-N 2 2 314.498 3.928 20 0 DHADLP CC(C)([C@H]([NH2+]CCCF)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000484543667 339689327 /nfs/dbraw/zinc/68/93/27/339689327.db2.gz LKOXKZLAYCJXCC-MRXNPFEDSA-N 2 2 314.395 3.830 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc3c(c1)CCCC3)CCC2 ZINC000491312372 339857726 /nfs/dbraw/zinc/85/77/26/339857726.db2.gz ZSXPAJRBORMYOZ-LJQANCHMSA-N 2 2 309.457 3.738 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2Cl)C[N@@H+]1C1CC1 ZINC000499671786 340042558 /nfs/dbraw/zinc/04/25/58/340042558.db2.gz QMFJKFUKQSMWOS-YPMHNXCESA-N 2 2 313.272 3.751 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(Cl)c2Cl)C[N@H+]1C1CC1 ZINC000499671786 340042559 /nfs/dbraw/zinc/04/25/59/340042559.db2.gz QMFJKFUKQSMWOS-YPMHNXCESA-N 2 2 313.272 3.751 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000501474171 340081972 /nfs/dbraw/zinc/08/19/72/340081972.db2.gz QMNDGTBEHUDKLZ-NRMKIYEFSA-N 2 2 312.379 3.793 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000501474171 340081973 /nfs/dbraw/zinc/08/19/73/340081973.db2.gz QMNDGTBEHUDKLZ-NRMKIYEFSA-N 2 2 312.379 3.793 20 0 DHADLP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H](c2ccccc2)[NH+](CC)CC)CCO1 ZINC000503576345 340131356 /nfs/dbraw/zinc/13/13/56/340131356.db2.gz OKFKVBHVUWHKTR-SXLOBPIMSA-N 2 2 318.505 3.864 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)C[NH+]1CCCC1 ZINC000503587020 340131646 /nfs/dbraw/zinc/13/16/46/340131646.db2.gz PZYYMXSORRMHIO-MRXNPFEDSA-N 2 2 314.429 3.893 20 0 DHADLP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000401279717 340167022 /nfs/dbraw/zinc/16/70/22/340167022.db2.gz CNCNCECFHHITQY-SJORKVTESA-N 2 2 301.478 3.856 20 0 DHADLP FC(F)(F)c1ccc(C2([NH2+]CCn3cc[nH+]c3)CCCC2)cc1 ZINC000505486617 340169468 /nfs/dbraw/zinc/16/94/68/340169468.db2.gz FDLJMDIPPWYTBF-UHFFFAOYSA-N 2 2 323.362 3.961 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C[C@H](C)CC(C)C)CC1 ZINC000507522272 340224428 /nfs/dbraw/zinc/22/44/28/340224428.db2.gz FUIZJADOQYMRIT-SJORKVTESA-N 2 2 312.542 3.926 20 0 DHADLP Cc1ccc([C@H](C[NH2+]Cc2ccc(F)cc2C)[NH+](C)C)cc1 ZINC000507954220 340236600 /nfs/dbraw/zinc/23/66/00/340236600.db2.gz JIYBSSCGUMNPQY-IBGZPJMESA-N 2 2 300.421 3.835 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000509910596 340282626 /nfs/dbraw/zinc/28/26/26/340282626.db2.gz NCMNWMKAAIHTLX-JXAWBTAJSA-N 2 2 316.489 3.558 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1 ZINC000512170162 340350801 /nfs/dbraw/zinc/35/08/01/340350801.db2.gz QHPYUOAOYBULFT-KRWDZBQOSA-N 2 2 304.453 3.770 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000512170162 340350802 /nfs/dbraw/zinc/35/08/02/340350802.db2.gz QHPYUOAOYBULFT-KRWDZBQOSA-N 2 2 304.453 3.770 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC000512211409 340352570 /nfs/dbraw/zinc/35/25/70/340352570.db2.gz JQBJFKWCBGEVOL-DLBZAZTESA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC000512211409 340352571 /nfs/dbraw/zinc/35/25/71/340352571.db2.gz JQBJFKWCBGEVOL-DLBZAZTESA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000512211409 340352572 /nfs/dbraw/zinc/35/25/72/340352572.db2.gz JQBJFKWCBGEVOL-DLBZAZTESA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000512211409 340352573 /nfs/dbraw/zinc/35/25/73/340352573.db2.gz JQBJFKWCBGEVOL-DLBZAZTESA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H]1CCCC[C@H]1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000513207603 340397287 /nfs/dbraw/zinc/39/72/87/340397287.db2.gz BXHLYHQMADKPGG-IRXDYDNUSA-N 2 2 301.478 3.856 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000185679791 340504155 /nfs/dbraw/zinc/50/41/55/340504155.db2.gz NVIHXPROSMNBIL-QRWLVFNGSA-N 2 2 307.441 3.949 20 0 DHADLP CC(C)C(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000193341514 340576323 /nfs/dbraw/zinc/57/63/23/340576323.db2.gz MOQCMDYVRGZMRE-UHFFFAOYSA-N 2 2 308.432 3.921 20 0 DHADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000528728488 340730696 /nfs/dbraw/zinc/73/06/96/340730696.db2.gz BPBVVMCIBNVDQX-UHFFFAOYSA-N 2 2 324.468 3.527 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215934 340782810 /nfs/dbraw/zinc/78/28/10/340782810.db2.gz KLYDSJASSQOYGX-QZTJIDSGSA-N 2 2 309.457 3.728 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216273 340782826 /nfs/dbraw/zinc/78/28/26/340782826.db2.gz ABVUKPPPAAIZSA-WCQYABFASA-N 2 2 307.507 3.684 20 0 DHADLP C[C@H]([NH2+]CC1Cc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537968395 340794181 /nfs/dbraw/zinc/79/41/81/340794181.db2.gz DQJXGUALOISMKZ-INIZCTEOSA-N 2 2 317.436 3.938 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000069752911 340980202 /nfs/dbraw/zinc/98/02/02/340980202.db2.gz KPAUJIOHUCJNEW-RDTXWAMCSA-N 2 2 307.397 3.879 20 0 DHADLP CS[C@H](C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000543426375 341044042 /nfs/dbraw/zinc/04/40/42/341044042.db2.gz QRHUUBXHVBIOSZ-ZWKOTPCHSA-N 2 2 320.546 3.671 20 0 DHADLP CS[C@H](C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000543426375 341044043 /nfs/dbraw/zinc/04/40/43/341044043.db2.gz QRHUUBXHVBIOSZ-ZWKOTPCHSA-N 2 2 320.546 3.671 20 0 DHADLP CCn1cc[nH+]c1CNc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000543717052 341054990 /nfs/dbraw/zinc/05/49/90/341054990.db2.gz SKPFKVOAJDQKCE-HNNXBMFYSA-N 2 2 313.449 3.597 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CCC2)o1 ZINC000544576175 341086663 /nfs/dbraw/zinc/08/66/63/341086663.db2.gz ZKYNPXMJTNKXBD-IBGZPJMESA-N 2 2 309.413 3.909 20 0 DHADLP Fc1ccc(F)c(C[N@H+](CCn2cc[nH+]c2)C2CCCC2)c1 ZINC000131661931 341106998 /nfs/dbraw/zinc/10/69/98/341106998.db2.gz PHWODUQASPZADF-UHFFFAOYSA-N 2 2 305.372 3.606 20 0 DHADLP Fc1ccc(F)c(C[N@@H+](CCn2cc[nH+]c2)C2CCCC2)c1 ZINC000131661931 341106999 /nfs/dbraw/zinc/10/69/99/341106999.db2.gz PHWODUQASPZADF-UHFFFAOYSA-N 2 2 305.372 3.606 20 0 DHADLP c1ccc([C@H]2CC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000133302846 341171154 /nfs/dbraw/zinc/17/11/54/341171154.db2.gz NFJWESBZGIXTSD-AZUAARDMSA-N 2 2 321.468 3.976 20 0 DHADLP Cc1cccn2c(C[NH2+]C3CC(C)(c4ccccc4)C3)c[nH+]c12 ZINC000546667858 341178111 /nfs/dbraw/zinc/17/81/11/341178111.db2.gz NKFHYSQWIJCNLZ-UHFFFAOYSA-N 2 2 305.425 3.853 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccncc3Cl)C2)CC1 ZINC000075677039 341180795 /nfs/dbraw/zinc/18/07/95/341180795.db2.gz WBYQZFLPUKLQPI-MRXNPFEDSA-N 2 2 321.896 3.679 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)CC1 ZINC000075677039 341180796 /nfs/dbraw/zinc/18/07/96/341180796.db2.gz WBYQZFLPUKLQPI-MRXNPFEDSA-N 2 2 321.896 3.679 20 0 DHADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C(C)C)[nH+]c12 ZINC000546932903 341187315 /nfs/dbraw/zinc/18/73/15/341187315.db2.gz PWJILXFIHUVUJN-GFCCVEGCSA-N 2 2 324.266 3.582 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000547356010 341208399 /nfs/dbraw/zinc/20/83/99/341208399.db2.gz BLEKFKODCWYJFQ-BEFAXECRSA-N 2 2 312.457 3.667 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000547356010 341208400 /nfs/dbraw/zinc/20/84/00/341208400.db2.gz BLEKFKODCWYJFQ-BEFAXECRSA-N 2 2 312.457 3.667 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237533264 341215350 /nfs/dbraw/zinc/21/53/50/341215350.db2.gz RFPKPIBGZDVAFN-MJGOQNOKSA-N 2 2 312.457 3.855 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237533264 341215351 /nfs/dbraw/zinc/21/53/51/341215351.db2.gz RFPKPIBGZDVAFN-MJGOQNOKSA-N 2 2 312.457 3.855 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095472 341279554 /nfs/dbraw/zinc/27/95/54/341279554.db2.gz VBVJIOVPJZYTOK-CJNGLKHVSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095472 341279555 /nfs/dbraw/zinc/27/95/55/341279555.db2.gz VBVJIOVPJZYTOK-CJNGLKHVSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095472 341279556 /nfs/dbraw/zinc/27/95/56/341279556.db2.gz VBVJIOVPJZYTOK-CJNGLKHVSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095472 341279557 /nfs/dbraw/zinc/27/95/57/341279557.db2.gz VBVJIOVPJZYTOK-CJNGLKHVSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccc(OC)c1 ZINC000549041028 341284360 /nfs/dbraw/zinc/28/43/60/341284360.db2.gz UMRBYZUGWPBWEA-YGWPLHOASA-N 2 2 316.489 3.856 20 0 DHADLP C[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000245598732 341304550 /nfs/dbraw/zinc/30/45/50/341304550.db2.gz LZDXPLAOIOHCRM-NIKGAXFTSA-N 2 2 313.420 3.983 20 0 DHADLP C[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000245598732 341304551 /nfs/dbraw/zinc/30/45/51/341304551.db2.gz LZDXPLAOIOHCRM-NIKGAXFTSA-N 2 2 313.420 3.983 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[N@@H+]1C1CC1 ZINC000549936865 341307443 /nfs/dbraw/zinc/30/74/43/341307443.db2.gz LOTDCQSPDVKBSX-ZQDZILKHSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[N@H+]1C1CC1 ZINC000549936865 341307444 /nfs/dbraw/zinc/30/74/44/341307444.db2.gz LOTDCQSPDVKBSX-ZQDZILKHSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000245773245 341314358 /nfs/dbraw/zinc/31/43/58/341314358.db2.gz SEDSYZDVFDACAO-SOLBZPMBSA-N 2 2 302.462 3.711 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000245773245 341314359 /nfs/dbraw/zinc/31/43/59/341314359.db2.gz SEDSYZDVFDACAO-SOLBZPMBSA-N 2 2 302.462 3.711 20 0 DHADLP c1[nH+]c2n(c1C[NH2+][C@H]1CC[C@H](Cc3ccccc3)C1)CCCC2 ZINC000551232958 341334641 /nfs/dbraw/zinc/33/46/41/341334641.db2.gz HIIQPXLWOVYEDC-MSOLQXFVSA-N 2 2 309.457 3.720 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000551517143 341343449 /nfs/dbraw/zinc/34/34/49/341343449.db2.gz GOYOFMLKGVDNOC-NVXWUHKLSA-N 2 2 313.445 3.728 20 0 DHADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000551558290 341345385 /nfs/dbraw/zinc/34/53/85/341345385.db2.gz BYOIQYNOTASOJC-NSHGMRRFSA-N 2 2 316.489 3.856 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000551792032 341351842 /nfs/dbraw/zinc/35/18/42/341351842.db2.gz YXQGPQJAWDLQEX-XNFNUYLZSA-N 2 2 316.489 3.651 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000551792032 341351843 /nfs/dbraw/zinc/35/18/43/341351843.db2.gz YXQGPQJAWDLQEX-XNFNUYLZSA-N 2 2 316.489 3.651 20 0 DHADLP C[C@H]1CC[N@H+](CCc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000246625031 341354648 /nfs/dbraw/zinc/35/46/48/341354648.db2.gz QWKLUTFWPVPNBV-WMLDXEAASA-N 2 2 303.837 3.662 20 0 DHADLP C[C@H]1CC[N@@H+](CCc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000246625031 341354649 /nfs/dbraw/zinc/35/46/49/341354649.db2.gz QWKLUTFWPVPNBV-WMLDXEAASA-N 2 2 303.837 3.662 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C[N@@H+]1C1CC1 ZINC000246936010 341358818 /nfs/dbraw/zinc/35/88/18/341358818.db2.gz GSUBGTVAAKOILC-VKJFTORMSA-N 2 2 312.457 3.648 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C[N@H+]1C1CC1 ZINC000246936010 341358819 /nfs/dbraw/zinc/35/88/19/341358819.db2.gz GSUBGTVAAKOILC-VKJFTORMSA-N 2 2 312.457 3.648 20 0 DHADLP COc1cccc([C@@H](C[NH2+][C@H]2CC=C(C)CC2)[NH+]2CCCC2)c1 ZINC000552095734 341369404 /nfs/dbraw/zinc/36/94/04/341369404.db2.gz OHADKNOXAZQHRR-AZUAARDMSA-N 2 2 314.473 3.921 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000248065435 341372902 /nfs/dbraw/zinc/37/29/02/341372902.db2.gz ZKLCMNCFHXPDPT-SOUVJXGZSA-N 2 2 317.502 3.862 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000248065435 341372903 /nfs/dbraw/zinc/37/29/03/341372903.db2.gz ZKLCMNCFHXPDPT-SOUVJXGZSA-N 2 2 317.502 3.862 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+][C@H]1CCOC[C@H]1C)c1ccc(Cl)cc1 ZINC000552323240 341386429 /nfs/dbraw/zinc/38/64/29/341386429.db2.gz AZPWTKSKBPTVIH-FHLIZLRMSA-N 2 2 324.896 3.738 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H]1CCOC[C@H]1C)c1ccc(Cl)cc1 ZINC000552323240 341386430 /nfs/dbraw/zinc/38/64/30/341386430.db2.gz AZPWTKSKBPTVIH-FHLIZLRMSA-N 2 2 324.896 3.738 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)c1ccc(Cl)cc1 ZINC000552323242 341386515 /nfs/dbraw/zinc/38/65/15/341386515.db2.gz AZPWTKSKBPTVIH-ZTFGCOKTSA-N 2 2 324.896 3.738 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)c1ccc(Cl)cc1 ZINC000552323242 341386516 /nfs/dbraw/zinc/38/65/16/341386516.db2.gz AZPWTKSKBPTVIH-ZTFGCOKTSA-N 2 2 324.896 3.738 20 0 DHADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249478621 341398254 /nfs/dbraw/zinc/39/82/54/341398254.db2.gz WINODELNMZPUCN-HKUYNNGSSA-N 2 2 311.473 3.553 20 0 DHADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249478621 341398255 /nfs/dbraw/zinc/39/82/55/341398255.db2.gz WINODELNMZPUCN-HKUYNNGSSA-N 2 2 311.473 3.553 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093403037 341471634 /nfs/dbraw/zinc/47/16/34/341471634.db2.gz OBNVMPZMNXGFFX-AWEZNQCLSA-N 2 2 321.534 3.937 20 0 DHADLP CCC(CC)(C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000566481151 341559478 /nfs/dbraw/zinc/55/94/78/341559478.db2.gz FULFTFLUPSEVDX-YTQUADARSA-N 3 2 317.521 3.756 20 0 DHADLP Cc1cnc(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000572757802 341703167 /nfs/dbraw/zinc/70/31/67/341703167.db2.gz VUBNHWFSDISSHO-KRWDZBQOSA-N 2 2 320.440 3.777 20 0 DHADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC34CC4)CC2)cc1 ZINC000417341820 518194729 /nfs/dbraw/zinc/19/47/29/518194729.db2.gz BWOGOTQWEKVEPU-HNNXBMFYSA-N 2 2 304.865 3.694 20 0 DHADLP CC(C)(C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)[NH+]1CCCCC1 ZINC000337331615 519269514 /nfs/dbraw/zinc/26/95/14/519269514.db2.gz HMKKCVWRKIOSTD-PKOBYXMFSA-N 2 2 315.505 3.962 20 0 DHADLP CC(C)N(C)c1ccc(CNc2cccc(C[NH+](C)C)c2)c[nH+]1 ZINC000190828342 519633290 /nfs/dbraw/zinc/63/32/90/519633290.db2.gz AKMRWJKMMQYQQF-UHFFFAOYSA-N 2 2 312.461 3.600 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000173614443 519673354 /nfs/dbraw/zinc/67/33/54/519673354.db2.gz RJALFFILHBEBAQ-HNNXBMFYSA-N 2 2 313.445 3.865 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000180010323 519821084 /nfs/dbraw/zinc/82/10/84/519821084.db2.gz ZHCMHFKWZMJYNA-SFHVURJKSA-N 2 2 306.413 3.754 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181132898 521499497 /nfs/dbraw/zinc/49/94/97/521499497.db2.gz KTTRZLXSDLHZOM-LSDHHAIUSA-N 2 2 301.434 3.553 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181132898 521499503 /nfs/dbraw/zinc/49/95/03/521499503.db2.gz KTTRZLXSDLHZOM-LSDHHAIUSA-N 2 2 301.434 3.553 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181132898 521499510 /nfs/dbraw/zinc/49/95/10/521499510.db2.gz KTTRZLXSDLHZOM-LSDHHAIUSA-N 2 2 301.434 3.553 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181132898 521499518 /nfs/dbraw/zinc/49/95/18/521499518.db2.gz KTTRZLXSDLHZOM-LSDHHAIUSA-N 2 2 301.434 3.553 20 0 DHADLP COCC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000338009373 521861161 /nfs/dbraw/zinc/86/11/61/521861161.db2.gz QLALOCGQGVMWHH-MAUKXSAKSA-N 2 2 315.461 3.974 20 0 DHADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(OC)cc1 ZINC000130603533 522602122 /nfs/dbraw/zinc/60/21/22/522602122.db2.gz QNQPZPFSPFIRBW-SFHVURJKSA-N 2 2 309.413 3.626 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000339155177 523926357 /nfs/dbraw/zinc/92/63/57/523926357.db2.gz ILABQGGRJCKTID-QGZVFWFLSA-N 2 2 324.472 3.556 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc1 ZINC000339155177 523926363 /nfs/dbraw/zinc/92/63/63/523926363.db2.gz ILABQGGRJCKTID-QGZVFWFLSA-N 2 2 324.472 3.556 20 0 DHADLP COc1ccc(C[N@H+](CCCn2cc[nH+]c2)[C@@H](C)C2CC2)cc1 ZINC000182699013 524012598 /nfs/dbraw/zinc/01/25/98/524012598.db2.gz UDCRXFFYTOAYBA-INIZCTEOSA-N 2 2 313.445 3.583 20 0 DHADLP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2)[C@@H](C)C2CC2)cc1 ZINC000182699013 524012599 /nfs/dbraw/zinc/01/25/99/524012599.db2.gz UDCRXFFYTOAYBA-INIZCTEOSA-N 2 2 313.445 3.583 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)o1 ZINC000126510300 524024812 /nfs/dbraw/zinc/02/48/12/524024812.db2.gz ZWDJKDLWKIBDHL-CYBMUJFWSA-N 2 2 310.401 3.582 20 0 DHADLP CCc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)o1 ZINC000126510550 524046527 /nfs/dbraw/zinc/04/65/27/524046527.db2.gz ZWDJKDLWKIBDHL-ZDUSSCGKSA-N 2 2 310.401 3.582 20 0 DHADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000156550189 524402327 /nfs/dbraw/zinc/40/23/27/524402327.db2.gz DBHPRAJSEIHKDZ-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000156550189 524402334 /nfs/dbraw/zinc/40/23/34/524402334.db2.gz DBHPRAJSEIHKDZ-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000156550189 524402338 /nfs/dbraw/zinc/40/23/38/524402338.db2.gz DBHPRAJSEIHKDZ-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000156550189 524402346 /nfs/dbraw/zinc/40/23/46/524402346.db2.gz DBHPRAJSEIHKDZ-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C(c2cccs2)c2cccs2)CC[N@@H+]1C ZINC000128106020 524921190 /nfs/dbraw/zinc/92/11/90/524921190.db2.gz WNSBZMUAGTUHSP-QWHCGFSZSA-N 2 2 306.500 3.971 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C(c2cccs2)c2cccs2)CC[N@H+]1C ZINC000128106020 524921202 /nfs/dbraw/zinc/92/12/02/524921202.db2.gz WNSBZMUAGTUHSP-QWHCGFSZSA-N 2 2 306.500 3.971 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(F)c1 ZINC000131163001 525146596 /nfs/dbraw/zinc/14/65/96/525146596.db2.gz GGEYBUGVDWFKCK-CQSZACIVSA-N 2 2 308.441 3.605 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccsc2S1 ZINC000336826522 525263993 /nfs/dbraw/zinc/26/39/93/525263993.db2.gz QLDWCVMIKDKDCF-IAQYHMDHSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccnc1Cl ZINC000162859490 525336713 /nfs/dbraw/zinc/33/67/13/525336713.db2.gz STYPPGXDIBVGRV-ZDUSSCGKSA-N 2 2 304.825 3.673 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1)c1cccnc1 ZINC000158468449 525401910 /nfs/dbraw/zinc/40/19/10/525401910.db2.gz PXAIYKATEFXTOR-OAHLLOKOSA-N 2 2 313.420 3.536 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000126851204 525413973 /nfs/dbraw/zinc/41/39/73/525413973.db2.gz XXJFZYQQABPSMG-LSDHHAIUSA-N 2 2 304.459 3.904 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000126851204 525413980 /nfs/dbraw/zinc/41/39/80/525413980.db2.gz XXJFZYQQABPSMG-LSDHHAIUSA-N 2 2 304.459 3.904 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)no1 ZINC000337286594 525468068 /nfs/dbraw/zinc/46/80/68/525468068.db2.gz KQSVFYWXTWEFGL-MRXNPFEDSA-N 2 2 313.445 3.820 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1nccs1 ZINC000181194283 525534042 /nfs/dbraw/zinc/53/40/42/525534042.db2.gz MMGKHILHQCYEDJ-CQSZACIVSA-N 2 2 301.459 3.590 20 0 DHADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156323916 526069720 /nfs/dbraw/zinc/06/97/20/526069720.db2.gz PCLPKEXRGLNYRF-GUYCJALGSA-N 2 2 302.805 3.949 20 0 DHADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156323916 526069729 /nfs/dbraw/zinc/06/97/29/526069729.db2.gz PCLPKEXRGLNYRF-GUYCJALGSA-N 2 2 302.805 3.949 20 0 DHADLP FCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2F)CC1 ZINC000367599807 526286315 /nfs/dbraw/zinc/28/63/15/526286315.db2.gz XWMQSDAOZLLZNP-DNVCBOLYSA-N 2 2 322.443 3.908 20 0 DHADLP FCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000367601583 526287375 /nfs/dbraw/zinc/28/73/75/526287375.db2.gz ONEZPNGLLUDSMS-RDJZCZTQSA-N 2 2 310.482 3.830 20 0 DHADLP Fc1cc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)ccc1-n1cc[nH+]c1 ZINC000339512155 526298979 /nfs/dbraw/zinc/29/89/79/526298979.db2.gz KTDCIVMVJKPGAE-QZTJIDSGSA-N 2 2 321.399 3.905 20 0 DHADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000338204635 526351266 /nfs/dbraw/zinc/35/12/66/526351266.db2.gz FIKQWHWUQNHEFZ-INIZCTEOSA-N 2 2 317.383 3.829 20 0 DHADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267381960 526390393 /nfs/dbraw/zinc/39/03/93/526390393.db2.gz AVCLOHFDWUWTJA-GFCCVEGCSA-N 2 2 307.800 3.624 20 0 DHADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267381960 526390396 /nfs/dbraw/zinc/39/03/96/526390396.db2.gz AVCLOHFDWUWTJA-GFCCVEGCSA-N 2 2 307.800 3.624 20 0 DHADLP c1cn(C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)c[nH+]1 ZINC000191284916 526528862 /nfs/dbraw/zinc/52/88/62/526528862.db2.gz WCFFQEKIDZYZOF-UHFFFAOYSA-N 2 2 311.429 3.509 20 0 DHADLP c1cn(CCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c[nH+]1 ZINC000182618401 526530276 /nfs/dbraw/zinc/53/02/76/526530276.db2.gz XGDUSJBZZLANKL-UHFFFAOYSA-N 2 2 308.429 3.634 20 0 DHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000183065436 526677698 /nfs/dbraw/zinc/67/76/98/526677698.db2.gz ZIKAKFUXMWNKBF-CQSZACIVSA-N 2 2 306.479 3.855 20 0 DHADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183065436 526677705 /nfs/dbraw/zinc/67/77/05/526677705.db2.gz ZIKAKFUXMWNKBF-CQSZACIVSA-N 2 2 306.479 3.855 20 0 DHADLP Clc1ccc(SC2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000132573173 526959144 /nfs/dbraw/zinc/95/91/44/526959144.db2.gz GSNHITLFFSDGJW-UHFFFAOYSA-N 2 2 321.877 3.793 20 0 DHADLP Clc1ccccc1CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000181969952 526987993 /nfs/dbraw/zinc/98/79/93/526987993.db2.gz LXAWWIFNFMZUQS-UHFFFAOYSA-N 2 2 303.837 3.806 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1cncs1 ZINC000155860026 527166829 /nfs/dbraw/zinc/16/68/29/527166829.db2.gz RDYYDIZHYTYVQU-LBPRGKRZSA-N 2 2 300.431 3.542 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cccnc1Cl ZINC000162237185 527168531 /nfs/dbraw/zinc/16/85/31/527168531.db2.gz OGTJKVXMDFXCHG-LBPRGKRZSA-N 2 2 314.820 3.744 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337989270 527169679 /nfs/dbraw/zinc/16/96/79/527169679.db2.gz PAOMRKCAGNIFKG-CVEARBPZSA-N 2 2 303.425 3.853 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H](C)C2)s1 ZINC000364840109 527258337 /nfs/dbraw/zinc/25/83/37/527258337.db2.gz MNPOKJDXACIRPU-BBRMVZONSA-N 2 2 309.523 3.688 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCC(C)(C)C)[C@@H](C)C2)s1 ZINC000364840109 527258341 /nfs/dbraw/zinc/25/83/41/527258341.db2.gz MNPOKJDXACIRPU-BBRMVZONSA-N 2 2 309.523 3.688 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000365675201 527467357 /nfs/dbraw/zinc/46/73/57/527467357.db2.gz SJNVETPPSIJQNF-AWEZNQCLSA-N 2 2 319.449 3.531 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000365675201 527467364 /nfs/dbraw/zinc/46/73/64/527467364.db2.gz SJNVETPPSIJQNF-AWEZNQCLSA-N 2 2 319.449 3.531 20 0 DHADLP CCc1cnc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340257621 536052942 /nfs/dbraw/zinc/05/29/42/536052942.db2.gz YWZAXQXDOHGSLW-NVXWUHKLSA-N 2 2 315.486 3.631 20 0 DHADLP CCc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340257621 536052946 /nfs/dbraw/zinc/05/29/46/536052946.db2.gz YWZAXQXDOHGSLW-NVXWUHKLSA-N 2 2 315.486 3.631 20 0 DHADLP Cc1nc(N2CCC(C[NH+](C)C)CC2)cc(C2CCCCC2)[nH+]1 ZINC001165045283 721948151 /nfs/dbraw/zinc/94/81/51/721948151.db2.gz PODCZRFOQUWUEL-UHFFFAOYSA-N 2 2 316.493 3.611 20 0 DHADLP C[NH+](C)CCOc1ccc(-c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000846778482 1032063961 /nfs/dbraw/zinc/06/39/61/1032063961.db2.gz AXEUWWZYIDJZTO-UHFFFAOYSA-N 2 2 321.424 3.539 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2OC)CC1 ZINC000109786227 1013328260 /nfs/dbraw/zinc/32/82/60/1013328260.db2.gz LFJGKIPMNLXBKJ-UHFFFAOYSA-N 2 2 310.869 3.655 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2OC)CC1 ZINC000109786227 1013328265 /nfs/dbraw/zinc/32/82/65/1013328265.db2.gz LFJGKIPMNLXBKJ-UHFFFAOYSA-N 2 2 310.869 3.655 20 0 DHADLP Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000361730798 1032071723 /nfs/dbraw/zinc/07/17/23/1032071723.db2.gz ZXTHNDYLKZQWEU-UHFFFAOYSA-N 2 2 303.409 3.739 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+]CCC(C)(C)C)CCOCC1)c1ccccc1 ZINC000187975552 1013561961 /nfs/dbraw/zinc/56/19/61/1013561961.db2.gz KTQVLIRTUNDNBF-QGZVFWFLSA-N 2 2 318.505 3.912 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000519774698 1013600956 /nfs/dbraw/zinc/60/09/56/1013600956.db2.gz MOUIQIWOTYCPHH-MSOLQXFVSA-N 2 2 303.494 3.503 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655689220 1013640622 /nfs/dbraw/zinc/64/06/22/1013640622.db2.gz YYHDCYPDELMLBX-QZTJIDSGSA-N 2 2 322.880 3.634 20 0 DHADLP Cc1ccccc1[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000655711770 1013658074 /nfs/dbraw/zinc/65/80/74/1013658074.db2.gz LQXLHQOTFZJJBC-UYAOXDASSA-N 2 2 316.489 3.535 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cs2)cc1 ZINC000430644321 1013753744 /nfs/dbraw/zinc/75/37/44/1013753744.db2.gz NCDWAJASCIZYOG-OAHLLOKOSA-N 2 2 315.486 3.543 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3CCC[C@H](C[NH3+])C3)cs2)cc1 ZINC000430644321 1013753752 /nfs/dbraw/zinc/75/37/52/1013753752.db2.gz NCDWAJASCIZYOG-OAHLLOKOSA-N 2 2 315.486 3.543 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000655849469 1013775433 /nfs/dbraw/zinc/77/54/33/1013775433.db2.gz VKUHWFQBBTVYRE-XKQJLSEDSA-N 2 2 306.425 3.502 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1F ZINC000655849469 1013775440 /nfs/dbraw/zinc/77/54/40/1013775440.db2.gz VKUHWFQBBTVYRE-XKQJLSEDSA-N 2 2 306.425 3.502 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCC(F)(F)CC1 ZINC000655848540 1013773385 /nfs/dbraw/zinc/77/33/85/1013773385.db2.gz HMFNVRFDNSPFSK-CWRNSKLLSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCC(F)(F)CC1 ZINC000655848540 1013773392 /nfs/dbraw/zinc/77/33/92/1013773392.db2.gz HMFNVRFDNSPFSK-CWRNSKLLSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCC(F)(F)CC1 ZINC000655848541 1013773932 /nfs/dbraw/zinc/77/39/32/1013773932.db2.gz HMFNVRFDNSPFSK-IMJJTQAJSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCC(F)(F)CC1 ZINC000655848541 1013773937 /nfs/dbraw/zinc/77/39/37/1013773937.db2.gz HMFNVRFDNSPFSK-IMJJTQAJSA-N 2 2 300.437 3.807 20 0 DHADLP Fc1cccc(C2CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000655849146 1013779331 /nfs/dbraw/zinc/77/93/31/1013779331.db2.gz PKSXYKXRJZQCSY-JDGDGYACSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1cccc(C2CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000655849146 1013779341 /nfs/dbraw/zinc/77/93/41/1013779341.db2.gz PKSXYKXRJZQCSY-JDGDGYACSA-N 2 2 302.437 3.678 20 0 DHADLP Cc1ccc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2n1 ZINC000655856712 1013785880 /nfs/dbraw/zinc/78/58/80/1013785880.db2.gz OHMRIMFAZSNSBO-PMACEKPBSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1ccc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2n1 ZINC000655856712 1013785888 /nfs/dbraw/zinc/78/58/88/1013785888.db2.gz OHMRIMFAZSNSBO-PMACEKPBSA-N 2 2 309.457 3.650 20 0 DHADLP c1ccc(-c2cccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)c2)nc1 ZINC000655854957 1013786155 /nfs/dbraw/zinc/78/61/55/1013786155.db2.gz BLENRALPMLCBOB-LEWJYISDSA-N 2 2 321.468 3.855 20 0 DHADLP c1ccc(-c2cccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)c2)nc1 ZINC000655854957 1013786161 /nfs/dbraw/zinc/78/61/61/1013786161.db2.gz BLENRALPMLCBOB-LEWJYISDSA-N 2 2 321.468 3.855 20 0 DHADLP Cc1ccc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2n1 ZINC000655856713 1013786618 /nfs/dbraw/zinc/78/66/18/1013786618.db2.gz OHMRIMFAZSNSBO-UXHICEINSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1ccc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2n1 ZINC000655856713 1013786623 /nfs/dbraw/zinc/78/66/23/1013786623.db2.gz OHMRIMFAZSNSBO-UXHICEINSA-N 2 2 309.457 3.650 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000070149813 1013797915 /nfs/dbraw/zinc/79/79/15/1013797915.db2.gz ZGKJQRBRSQRCOI-CQSZACIVSA-N 2 2 307.488 3.575 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000070149813 1013797924 /nfs/dbraw/zinc/79/79/24/1013797924.db2.gz ZGKJQRBRSQRCOI-CQSZACIVSA-N 2 2 307.488 3.575 20 0 DHADLP C[C@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H]1c1ccccc1 ZINC000340445912 1013802491 /nfs/dbraw/zinc/80/24/91/1013802491.db2.gz VSAPVIJXGFQFKQ-PZJWPPBQSA-N 2 2 321.468 3.834 20 0 DHADLP C[C@@H]1C[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000683693752 1013865879 /nfs/dbraw/zinc/86/58/79/1013865879.db2.gz CQEZBMOZHLJESZ-CRAIPNDOSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@@H]1C[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000683693752 1013865886 /nfs/dbraw/zinc/86/58/86/1013865886.db2.gz CQEZBMOZHLJESZ-CRAIPNDOSA-N 2 2 324.472 3.781 20 0 DHADLP COc1cccc2c(NCCCCn3cc[nH+]c3C)cc(C)[nH+]c12 ZINC000127219786 1013896609 /nfs/dbraw/zinc/89/66/09/1013896609.db2.gz WWGKHBQQNGRVHG-UHFFFAOYSA-N 2 2 324.428 3.949 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000189141500 1013911380 /nfs/dbraw/zinc/91/13/80/1013911380.db2.gz YSIFOFOKBSRQDS-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000189141500 1013911384 /nfs/dbraw/zinc/91/13/84/1013911384.db2.gz YSIFOFOKBSRQDS-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Clc1cc(C[NH2+]CCCCn2cc[nH+]c2)c(Cl)s1 ZINC000312619261 1013928325 /nfs/dbraw/zinc/92/83/25/1013928325.db2.gz UDRZKWGWCRQLJH-UHFFFAOYSA-N 2 2 304.246 3.821 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000656276812 1014300474 /nfs/dbraw/zinc/30/04/74/1014300474.db2.gz INNDOJXBWWRVQU-UNLQRWGISA-N 2 2 320.427 3.817 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000656276812 1014300482 /nfs/dbraw/zinc/30/04/82/1014300482.db2.gz INNDOJXBWWRVQU-UNLQRWGISA-N 2 2 320.427 3.817 20 0 DHADLP C[C@H]1CC([NH2+]Cc2cncs2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005517 1014401890 /nfs/dbraw/zinc/40/18/90/1014401890.db2.gz JGCZFWIKQUSWOG-GJZGRUSLSA-N 2 2 315.486 3.674 20 0 DHADLP C[C@@H](Cc1ccsc1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110742 1014436574 /nfs/dbraw/zinc/43/65/74/1014436574.db2.gz WBARXGAYALTHOF-XIRDDKMYSA-N 2 2 315.486 3.851 20 0 DHADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000581019344 1014518119 /nfs/dbraw/zinc/51/81/19/1014518119.db2.gz CBIUBAGXEJLSQQ-QGZVFWFLSA-N 2 2 324.896 3.616 20 0 DHADLP CC(C)[C@H](CSc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427845403 1014535283 /nfs/dbraw/zinc/53/52/83/1014535283.db2.gz PNLDBBNGDTUEOU-RDJZCZTQSA-N 2 2 315.486 3.604 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000427857581 1014542019 /nfs/dbraw/zinc/54/20/19/1014542019.db2.gz ZILXNYCTIDGLGL-NVXWUHKLSA-N 2 2 315.848 3.909 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000427887950 1014546327 /nfs/dbraw/zinc/54/63/27/1014546327.db2.gz VFXFFSLEBBKTDJ-GXTWGEPZSA-N 2 2 319.861 3.678 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)CC2 ZINC000427899821 1014547048 /nfs/dbraw/zinc/54/70/48/1014547048.db2.gz XJRVOSUDBLKFKP-FGTMMUONSA-N 2 2 301.478 3.927 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000427890395 1014550874 /nfs/dbraw/zinc/55/08/74/1014550874.db2.gz JCDQPMCYPGXDPD-MNOVXSKESA-N 2 2 310.228 3.856 20 0 DHADLP Cc1cc[nH+]c(NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c1 ZINC000581093079 1014552240 /nfs/dbraw/zinc/55/22/40/1014552240.db2.gz CPRVOTZPUBOPKI-GOSISDBHSA-N 2 2 313.445 3.892 20 0 DHADLP C[C@H]1CC([NH2+]CC(=O)C(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168011347 1014578469 /nfs/dbraw/zinc/57/84/69/1014578469.db2.gz NRLLBRPVMGPOHV-HOTGVXAUSA-N 2 2 316.489 3.633 20 0 DHADLP CCc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000520822490 1014598459 /nfs/dbraw/zinc/59/84/59/1014598459.db2.gz SKKJEBYWPYTMDN-UHFFFAOYSA-N 2 2 305.425 3.784 20 0 DHADLP COc1ccc([C@H]([NH2+]CC[C@@]2(C)CC2(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000665266996 1014604682 /nfs/dbraw/zinc/60/46/82/1014604682.db2.gz NQCHDPYGIJBDPI-ULQDDVLXSA-N 2 2 324.415 3.513 20 0 DHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665276708 1014648876 /nfs/dbraw/zinc/64/88/76/1014648876.db2.gz KTGPSEKDTZBZFL-FQWCMUAHSA-N 2 2 322.452 3.765 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000569338862 1014673430 /nfs/dbraw/zinc/67/34/30/1014673430.db2.gz UNGDNWIDXQWELC-MAUKXSAKSA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000569338862 1014673431 /nfs/dbraw/zinc/67/34/31/1014673431.db2.gz UNGDNWIDXQWELC-MAUKXSAKSA-N 2 2 302.462 3.537 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CCCS2 ZINC000581349870 1014726340 /nfs/dbraw/zinc/72/63/40/1014726340.db2.gz YCMKTYJYXMPFFI-PBHICJAKSA-N 2 2 320.502 3.554 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CCCS2 ZINC000581349870 1014726345 /nfs/dbraw/zinc/72/63/45/1014726345.db2.gz YCMKTYJYXMPFFI-PBHICJAKSA-N 2 2 320.502 3.554 20 0 DHADLP C[N@H+](CCCOc1cccc2ccccc21)CCCn1cc[nH+]c1 ZINC000341096814 1014906170 /nfs/dbraw/zinc/90/61/70/1014906170.db2.gz AEEPDFBUZMCYQM-UHFFFAOYSA-N 2 2 323.440 3.827 20 0 DHADLP C[N@@H+](CCCOc1cccc2ccccc21)CCCn1cc[nH+]c1 ZINC000341096814 1014906180 /nfs/dbraw/zinc/90/61/80/1014906180.db2.gz AEEPDFBUZMCYQM-UHFFFAOYSA-N 2 2 323.440 3.827 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(-c2ccccc2)n1 ZINC000341151550 1014937435 /nfs/dbraw/zinc/93/74/35/1014937435.db2.gz YYWDNCVRBNAGBG-UHFFFAOYSA-N 2 2 312.442 3.529 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(-c2ccccc2)n1 ZINC000341151550 1014937438 /nfs/dbraw/zinc/93/74/38/1014937438.db2.gz YYWDNCVRBNAGBG-UHFFFAOYSA-N 2 2 312.442 3.529 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000317647934 1015208467 /nfs/dbraw/zinc/20/84/67/1015208467.db2.gz XXQZDSVRVSBIIU-DLBZAZTESA-N 2 2 301.409 3.714 20 0 DHADLP Cc1occc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647175021 1015268462 /nfs/dbraw/zinc/26/84/62/1015268462.db2.gz UPEQKMORGDIDDC-LJQANCHMSA-N 2 2 310.441 3.875 20 0 DHADLP Cc1occc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647175021 1015268470 /nfs/dbraw/zinc/26/84/70/1015268470.db2.gz UPEQKMORGDIDDC-LJQANCHMSA-N 2 2 310.441 3.875 20 0 DHADLP Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000895737806 1015288724 /nfs/dbraw/zinc/28/87/24/1015288724.db2.gz ZEQVYFABMIFDRI-UHFFFAOYSA-N 2 2 318.509 3.531 20 0 DHADLP Cc1ncc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000090404705 1015294848 /nfs/dbraw/zinc/29/48/48/1015294848.db2.gz RNVIOELHABCVSC-NSHDSACASA-N 2 2 316.405 3.627 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000474468461 1015382659 /nfs/dbraw/zinc/38/26/59/1015382659.db2.gz AVIHTGFWEIASSG-GVDBMIGSSA-N 2 2 304.478 3.651 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000474468461 1015382679 /nfs/dbraw/zinc/38/26/79/1015382679.db2.gz AVIHTGFWEIASSG-GVDBMIGSSA-N 2 2 304.478 3.651 20 0 DHADLP CCOc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000896197722 1015497349 /nfs/dbraw/zinc/49/73/49/1015497349.db2.gz FHJMHCFYYADWCH-UHFFFAOYSA-N 2 2 311.429 3.557 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](CNc1cc(C)[nH+]c3ccc(F)cc13)CCC2 ZINC000443893195 1015780010 /nfs/dbraw/zinc/78/00/10/1015780010.db2.gz CUGVISVEMCJKSO-CQSZACIVSA-N 2 2 324.403 3.599 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1F ZINC000150981725 1016002808 /nfs/dbraw/zinc/00/28/08/1016002808.db2.gz CPCQPXLMAPOVFT-OCCSQVGLSA-N 2 2 319.449 3.718 20 0 DHADLP CC[C@@H](C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000151678262 1016127055 /nfs/dbraw/zinc/12/70/55/1016127055.db2.gz APRNPEUDSKUNTE-IRXDYDNUSA-N 2 2 320.477 3.619 20 0 DHADLP Cc1ccc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)[nH]c2c1 ZINC000657311101 1016283707 /nfs/dbraw/zinc/28/37/07/1016283707.db2.gz WZKYPDQBYFQRTM-UHFFFAOYSA-N 2 2 320.440 3.630 20 0 DHADLP CO[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(C)cc3)c2)[C@@H](C[NH3+])C1 ZINC000346844000 1016600340 /nfs/dbraw/zinc/60/03/40/1016600340.db2.gz KMRPBQGPVFWEQM-NHCUHLMSSA-N 2 2 324.468 3.600 20 0 DHADLP CO[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(C)cc3)c2)[C@@H](C[NH3+])C1 ZINC000346844000 1016600345 /nfs/dbraw/zinc/60/03/45/1016600345.db2.gz KMRPBQGPVFWEQM-NHCUHLMSSA-N 2 2 324.468 3.600 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172577340 1016688237 /nfs/dbraw/zinc/68/82/37/1016688237.db2.gz NYNVLYUZAIWILZ-HOCLYGCPSA-N 2 2 308.416 3.976 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172577340 1016688244 /nfs/dbraw/zinc/68/82/44/1016688244.db2.gz NYNVLYUZAIWILZ-HOCLYGCPSA-N 2 2 308.416 3.976 20 0 DHADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(OC)c1 ZINC000152749339 1016982133 /nfs/dbraw/zinc/98/21/33/1016982133.db2.gz LEUILRJZIRRYOU-GOSISDBHSA-N 2 2 313.445 3.511 20 0 DHADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(OC)c1 ZINC000152749251 1016983182 /nfs/dbraw/zinc/98/31/82/1016983182.db2.gz LEUILRJZIRRYOU-SFHVURJKSA-N 2 2 313.445 3.511 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(F)c(F)c(F)c1 ZINC000152773390 1017000038 /nfs/dbraw/zinc/00/00/38/1017000038.db2.gz WNMHXXSSPYPCMY-LLVKDONJSA-N 2 2 323.362 3.530 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1sccc1Br ZINC000221917715 1032251670 /nfs/dbraw/zinc/25/16/70/1032251670.db2.gz HRFHEWDYZXDDLF-NSHDSACASA-N 2 2 319.312 3.892 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1sccc1Br ZINC000221917715 1032251682 /nfs/dbraw/zinc/25/16/82/1032251682.db2.gz HRFHEWDYZXDDLF-NSHDSACASA-N 2 2 319.312 3.892 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(Cl)ccc1O ZINC000185659480 1017077513 /nfs/dbraw/zinc/07/75/13/1017077513.db2.gz VEALBIMSMRLPKQ-LBPRGKRZSA-N 2 2 305.809 3.593 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171295999 1032273484 /nfs/dbraw/zinc/27/34/84/1032273484.db2.gz YEIYUDYUSJXZNG-AWEZNQCLSA-N 2 2 324.896 3.527 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171295999 1032273492 /nfs/dbraw/zinc/27/34/92/1032273492.db2.gz YEIYUDYUSJXZNG-AWEZNQCLSA-N 2 2 324.896 3.527 20 0 DHADLP CSC(C)(C)CC[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000877530889 1033337561 /nfs/dbraw/zinc/33/75/61/1033337561.db2.gz KAWCLLKYUXAICA-UHFFFAOYSA-N 2 2 310.507 3.708 20 0 DHADLP CSC(C)(C)CC[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000877530889 1033337572 /nfs/dbraw/zinc/33/75/72/1033337572.db2.gz KAWCLLKYUXAICA-UHFFFAOYSA-N 2 2 310.507 3.708 20 0 DHADLP c1[nH+]c2cc(NC[C@H]3CCCC[NH2+]3)ccc2n1-c1ccccc1 ZINC001171335323 1032421898 /nfs/dbraw/zinc/42/18/98/1032421898.db2.gz VUKVKDCNUFOCES-MRXNPFEDSA-N 2 2 306.413 3.580 20 0 DHADLP COc1ccccc1[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCCC1 ZINC000091261923 1032438968 /nfs/dbraw/zinc/43/89/68/1032438968.db2.gz TVZSLTHHEKEGIK-LJQANCHMSA-N 2 2 313.445 3.803 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000537636085 1032440990 /nfs/dbraw/zinc/44/09/90/1032440990.db2.gz KKLGXOILEVXAKU-QAPCUYQASA-N 2 2 316.489 3.705 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000537636085 1032440993 /nfs/dbraw/zinc/44/09/93/1032440993.db2.gz KKLGXOILEVXAKU-QAPCUYQASA-N 2 2 316.489 3.705 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000537636085 1032441000 /nfs/dbraw/zinc/44/10/00/1032441000.db2.gz KKLGXOILEVXAKU-QAPCUYQASA-N 2 2 316.489 3.705 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000537636085 1032441002 /nfs/dbraw/zinc/44/10/02/1032441002.db2.gz KKLGXOILEVXAKU-QAPCUYQASA-N 2 2 316.489 3.705 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000475215804 1017087074 /nfs/dbraw/zinc/08/70/74/1017087074.db2.gz LZRBTVUCHTXFKU-ZFWWWQNUSA-N 2 2 302.453 3.910 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000475215804 1017087083 /nfs/dbraw/zinc/08/70/83/1017087083.db2.gz LZRBTVUCHTXFKU-ZFWWWQNUSA-N 2 2 302.453 3.910 20 0 DHADLP Clc1csc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000348171864 1032487500 /nfs/dbraw/zinc/48/75/00/1032487500.db2.gz JBTBMJRMRLMJAY-UHFFFAOYSA-N 2 2 317.845 3.936 20 0 DHADLP Cc1cc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)cc[nH+]1 ZINC000302577983 1017308136 /nfs/dbraw/zinc/30/81/36/1017308136.db2.gz RNNUPALNROEWKA-AWEZNQCLSA-N 2 2 317.383 3.551 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000093318468 1032531014 /nfs/dbraw/zinc/53/10/14/1032531014.db2.gz MBBBWIJKKMNZCK-PXNSSMCTSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000093318468 1032531017 /nfs/dbraw/zinc/53/10/17/1032531017.db2.gz MBBBWIJKKMNZCK-PXNSSMCTSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(O)c2)CC[NH+]1Cc1ccccc1 ZINC000093318468 1032531019 /nfs/dbraw/zinc/53/10/19/1032531019.db2.gz MBBBWIJKKMNZCK-PXNSSMCTSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(O)c2)CC[NH+]1Cc1ccccc1 ZINC000093318468 1032531020 /nfs/dbraw/zinc/53/10/20/1032531020.db2.gz MBBBWIJKKMNZCK-PXNSSMCTSA-N 2 2 324.468 3.877 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(CC(C)C)s2)[C@H](C)C1 ZINC000093639838 1032548886 /nfs/dbraw/zinc/54/88/86/1032548886.db2.gz UCYUYRWABVGICY-GDBMZVCRSA-N 2 2 309.523 3.504 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(CC(C)C)s2)[C@H](C)C1 ZINC000093639838 1032548889 /nfs/dbraw/zinc/54/88/89/1032548889.db2.gz UCYUYRWABVGICY-GDBMZVCRSA-N 2 2 309.523 3.504 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(CC(C)C)s2)[C@H](C)C1 ZINC000093639838 1032548894 /nfs/dbraw/zinc/54/88/94/1032548894.db2.gz UCYUYRWABVGICY-GDBMZVCRSA-N 2 2 309.523 3.504 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(CC(C)C)s2)[C@H](C)C1 ZINC000093639838 1032548897 /nfs/dbraw/zinc/54/88/97/1032548897.db2.gz UCYUYRWABVGICY-GDBMZVCRSA-N 2 2 309.523 3.504 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000036932205 1012705808 /nfs/dbraw/zinc/70/58/08/1012705808.db2.gz HZBMAEKFVGEAQE-CQSZACIVSA-N 2 2 301.459 3.771 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000037140988 1012836998 /nfs/dbraw/zinc/83/69/98/1012836998.db2.gz MXDGPVMBJXUPBN-GFCCVEGCSA-N 2 2 323.278 3.727 20 0 DHADLP Fc1cc(F)c(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167962157 1012898685 /nfs/dbraw/zinc/89/86/85/1012898685.db2.gz UEULXLONMKKQAM-MQVJKMGUSA-N 2 2 324.390 3.599 20 0 DHADLP Fc1cc(F)c(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167962157 1012898702 /nfs/dbraw/zinc/89/87/02/1012898702.db2.gz UEULXLONMKKQAM-MQVJKMGUSA-N 2 2 324.390 3.599 20 0 DHADLP Fc1cccc2c1SCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000037318629 1013001819 /nfs/dbraw/zinc/00/18/19/1013001819.db2.gz HCUGRSDSMSLIPV-MRXNPFEDSA-N 2 2 306.450 3.579 20 0 DHADLP C[C@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475355436 1017166963 /nfs/dbraw/zinc/16/69/63/1017166963.db2.gz VAEZRTGAATYROX-MWTAGDMHSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@H]1CC([N@@H+]2CCC[C@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063315 1017195299 /nfs/dbraw/zinc/19/52/99/1017195299.db2.gz MSVBCHWZPHQNJB-BQFCYCMXSA-N 2 2 304.453 3.862 20 0 DHADLP C[C@H]1CC([N@H+]2CCC[C@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063315 1017195305 /nfs/dbraw/zinc/19/53/05/1017195305.db2.gz MSVBCHWZPHQNJB-BQFCYCMXSA-N 2 2 304.453 3.862 20 0 DHADLP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000179808362 1017312052 /nfs/dbraw/zinc/31/20/52/1017312052.db2.gz UHUGWWJLQOZSIP-LJQANCHMSA-N 2 2 309.388 3.596 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000657563389 1017405521 /nfs/dbraw/zinc/40/55/21/1017405521.db2.gz NTHUMRKQFZMCGR-SZMVWBNQSA-N 2 2 301.478 3.570 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000657563389 1017405527 /nfs/dbraw/zinc/40/55/27/1017405527.db2.gz NTHUMRKQFZMCGR-SZMVWBNQSA-N 2 2 301.478 3.570 20 0 DHADLP C[C@H](c1ccccc1Br)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181069450 1017722672 /nfs/dbraw/zinc/72/26/72/1017722672.db2.gz PSTOCMKKMCPNHB-CYBMUJFWSA-N 2 2 322.250 3.729 20 0 DHADLP C[C@H](c1ccccc1Br)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181069450 1017722681 /nfs/dbraw/zinc/72/26/81/1017722681.db2.gz PSTOCMKKMCPNHB-CYBMUJFWSA-N 2 2 322.250 3.729 20 0 DHADLP CC[NH+](CC)C1CC[NH+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171487212 1032729007 /nfs/dbraw/zinc/72/90/07/1032729007.db2.gz JIYLEGZGCXPKNO-KRWDZBQOSA-N 2 2 322.443 3.628 20 0 DHADLP COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000186129230 1017866949 /nfs/dbraw/zinc/86/69/49/1017866949.db2.gz PALLCXKSFHWEAF-CYBMUJFWSA-N 2 2 313.426 3.793 20 0 DHADLP CCC[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1ncccc1Cl ZINC000925169721 1017895218 /nfs/dbraw/zinc/89/52/18/1017895218.db2.gz KIGXYRFBVHMWQP-DZGCQCFKSA-N 2 2 318.852 3.940 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(F)CC1 ZINC000657744601 1018217546 /nfs/dbraw/zinc/21/75/46/1018217546.db2.gz PKUZZBYNTKMUOS-ODIFPOPNSA-N 2 2 301.409 3.879 20 0 DHADLP Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343145814 1018257395 /nfs/dbraw/zinc/25/73/95/1018257395.db2.gz DKGMFYCZKMFAQB-AWEZNQCLSA-N 2 2 321.827 3.773 20 0 DHADLP Fc1cccc(Cl)c1C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343145814 1018257403 /nfs/dbraw/zinc/25/74/03/1018257403.db2.gz DKGMFYCZKMFAQB-AWEZNQCLSA-N 2 2 321.827 3.773 20 0 DHADLP Cc1ccc(F)cc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000447072526 1018330817 /nfs/dbraw/zinc/33/08/17/1018330817.db2.gz LDTWCEMQTQVOOV-UHFFFAOYSA-N 2 2 314.404 3.881 20 0 DHADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2cc(Br)ccc2c1 ZINC001205190345 1018351142 /nfs/dbraw/zinc/35/11/42/1018351142.db2.gz NMOGPYCNAMONCB-BDJLRTHQSA-N 2 2 319.246 3.524 20 0 DHADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2cc(Br)ccc2c1 ZINC001205190345 1018351152 /nfs/dbraw/zinc/35/11/52/1018351152.db2.gz NMOGPYCNAMONCB-BDJLRTHQSA-N 2 2 319.246 3.524 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(SC(F)F)cc1 ZINC000764890284 1018411917 /nfs/dbraw/zinc/41/19/17/1018411917.db2.gz VBOHITQNPYGKGY-NWDGAFQWSA-N 2 2 311.401 3.937 20 0 DHADLP Cc1ccccc1-c1cnc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000536021480 1018458001 /nfs/dbraw/zinc/45/80/01/1018458001.db2.gz FFZNVPHCVSDZRJ-UHFFFAOYSA-N 2 2 322.412 3.753 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(C)(C)C ZINC000447938267 1018508439 /nfs/dbraw/zinc/50/84/39/1018508439.db2.gz FSWGEQKABQEJNY-CYBMUJFWSA-N 2 2 311.539 3.897 20 0 DHADLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000343301932 1018573137 /nfs/dbraw/zinc/57/31/37/1018573137.db2.gz KZFZHGPGWPDYEW-UHFFFAOYSA-N 2 2 322.250 3.561 20 0 DHADLP Cc1cccc2c1CC[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171552515 1032774266 /nfs/dbraw/zinc/77/42/66/1032774266.db2.gz XTAJKVXTPOVXAE-IBGZPJMESA-N 2 2 317.436 3.828 20 0 DHADLP CC(C)C[C@@H]([NH3+])C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000650724277 1018581453 /nfs/dbraw/zinc/58/14/53/1018581453.db2.gz BLQOQEJJLUTJKD-CQSZACIVSA-N 2 2 300.368 3.658 20 0 DHADLP Clc1cnccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000858115224 1032772668 /nfs/dbraw/zinc/77/26/68/1032772668.db2.gz ALTDWLMQFXVTAQ-UHFFFAOYSA-N 2 2 321.896 3.869 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000675923461 1018626786 /nfs/dbraw/zinc/62/67/86/1018626786.db2.gz SEWDKJXQUGYWBT-WOJBJXKFSA-N 2 2 317.436 3.981 20 0 DHADLP Cc1cccc2c1CC[C@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001171551545 1032773186 /nfs/dbraw/zinc/77/31/86/1032773186.db2.gz QDEUXFUDBCULSO-NRFANRHFSA-N 2 2 320.480 3.574 20 0 DHADLP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1)C2 ZINC001171561401 1032782888 /nfs/dbraw/zinc/78/28/88/1032782888.db2.gz YVZZGNBXYZFKRL-ROUUACIJSA-N 2 2 300.490 3.562 20 0 DHADLP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1)C2 ZINC001171561401 1032782905 /nfs/dbraw/zinc/78/29/05/1032782905.db2.gz YVZZGNBXYZFKRL-ROUUACIJSA-N 2 2 300.490 3.562 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccnc1Cl ZINC000765252101 1018731729 /nfs/dbraw/zinc/73/17/29/1018731729.db2.gz QNXIPRYWZOXGJG-GXTWGEPZSA-N 2 2 306.841 3.697 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cnn(-c2ccccc2)c1 ZINC000765427466 1018788737 /nfs/dbraw/zinc/78/87/37/1018788737.db2.gz PKBCELNSVBWDBF-MRXNPFEDSA-N 2 2 324.472 3.540 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1F ZINC000584023306 1018865598 /nfs/dbraw/zinc/86/55/98/1018865598.db2.gz GEAGFEAMUUFNAT-PXAZEXFGSA-N 2 2 305.372 3.532 20 0 DHADLP FCC1(CF)CC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000657819596 1018874189 /nfs/dbraw/zinc/87/41/89/1018874189.db2.gz XTFNTXXNSHHBHZ-KRWDZBQOSA-N 2 2 308.416 3.501 20 0 DHADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccc(C)cc3)n2)CC[C@@H]1[NH3+] ZINC000316840295 1018874673 /nfs/dbraw/zinc/87/46/73/1018874673.db2.gz MNPCSEURXUEDCL-YOEHRIQHSA-N 2 2 315.486 3.678 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccc(C)cc3)n2)CC[C@@H]1[NH3+] ZINC000316840295 1018874690 /nfs/dbraw/zinc/87/46/90/1018874690.db2.gz MNPCSEURXUEDCL-YOEHRIQHSA-N 2 2 315.486 3.678 20 0 DHADLP Cc1cccc(C[NH+]2CCC([NH2+][C@H](C)c3ccccn3)CC2)c1 ZINC000158662479 1018887158 /nfs/dbraw/zinc/88/71/58/1018887158.db2.gz DIPBHUPIIIUHJT-QGZVFWFLSA-N 2 2 309.457 3.705 20 0 DHADLP CC(C)[NH2+][C@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000672200095 1018997592 /nfs/dbraw/zinc/99/75/92/1018997592.db2.gz CJFBFJWLDXUEFL-ZDUSSCGKSA-N 2 2 303.837 3.855 20 0 DHADLP [NH3+]CC[C@H]1CN(c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc21 ZINC001168548842 1019005953 /nfs/dbraw/zinc/00/59/53/1019005953.db2.gz IPERXLJTEVWOHY-KRWDZBQOSA-N 2 2 318.424 3.516 20 0 DHADLP CSC1(C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000386815744 1019026268 /nfs/dbraw/zinc/02/62/68/1019026268.db2.gz FILHFXIYZBDJIW-UHFFFAOYSA-N 2 2 304.503 3.526 20 0 DHADLP CSC1(C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000386815744 1019026280 /nfs/dbraw/zinc/02/62/80/1019026280.db2.gz FILHFXIYZBDJIW-UHFFFAOYSA-N 2 2 304.503 3.526 20 0 DHADLP CCC(CC)(CNc1cc[nH+]c(C)n1)[NH2+][C@H](C)c1ccccc1 ZINC000462838744 1019034882 /nfs/dbraw/zinc/03/48/82/1019034882.db2.gz ZQPDFOXNVZHJEV-OAHLLOKOSA-N 2 2 312.461 4.107 20 0 DHADLP c1cn(-c2ccc(C[NH2+]Cc3ccc4cnccc4c3)cc2)c[nH+]1 ZINC000785438896 1019062563 /nfs/dbraw/zinc/06/25/63/1019062563.db2.gz MMLAQTPHWWUMPG-UHFFFAOYSA-N 2 2 314.392 3.710 20 0 DHADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960182 1019133735 /nfs/dbraw/zinc/13/37/35/1019133735.db2.gz BVSHNFNJEKIYAK-CYBMUJFWSA-N 2 2 309.335 3.808 20 0 DHADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080960182 1019133743 /nfs/dbraw/zinc/13/37/43/1019133743.db2.gz BVSHNFNJEKIYAK-CYBMUJFWSA-N 2 2 309.335 3.808 20 0 DHADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCCCn1cc[nH+]c1 ZINC000657845112 1019140815 /nfs/dbraw/zinc/14/08/15/1019140815.db2.gz PXFFWWRLHLELMN-QGZVFWFLSA-N 2 2 311.473 3.763 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081096267 1019159661 /nfs/dbraw/zinc/15/96/61/1019159661.db2.gz NBJIBANTWIQWJG-DNVCBOLYSA-N 2 2 313.445 3.504 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081096267 1019159668 /nfs/dbraw/zinc/15/96/68/1019159668.db2.gz NBJIBANTWIQWJG-DNVCBOLYSA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081096267 1019159672 /nfs/dbraw/zinc/15/96/72/1019159672.db2.gz NBJIBANTWIQWJG-DNVCBOLYSA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081096267 1019159679 /nfs/dbraw/zinc/15/96/79/1019159679.db2.gz NBJIBANTWIQWJG-DNVCBOLYSA-N 2 2 313.445 3.504 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000081571803 1019209063 /nfs/dbraw/zinc/20/90/63/1019209063.db2.gz PVRKWWQSQNUTIR-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000081571803 1019209076 /nfs/dbraw/zinc/20/90/76/1019209076.db2.gz PVRKWWQSQNUTIR-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000081571803 1019209089 /nfs/dbraw/zinc/20/90/89/1019209089.db2.gz PVRKWWQSQNUTIR-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000081571803 1019209099 /nfs/dbraw/zinc/20/90/99/1019209099.db2.gz PVRKWWQSQNUTIR-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1F ZINC000090963839 1019406179 /nfs/dbraw/zinc/40/61/79/1019406179.db2.gz YYFZNIKNFYYYRX-CYBMUJFWSA-N 2 2 317.383 3.679 20 0 DHADLP COc1ccc2oc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000092073922 1019503404 /nfs/dbraw/zinc/50/34/04/1019503404.db2.gz QDDDRDJMXZFFPW-ZDUSSCGKSA-N 2 2 311.385 3.544 20 0 DHADLP COc1ccc2oc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000092073922 1019503416 /nfs/dbraw/zinc/50/34/16/1019503416.db2.gz QDDDRDJMXZFFPW-ZDUSSCGKSA-N 2 2 311.385 3.544 20 0 DHADLP C[N@H+](Cc1nc2ccccc2o1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643974 1032838806 /nfs/dbraw/zinc/83/88/06/1032838806.db2.gz YZGCJZPYVCVRSN-UHFFFAOYSA-N 2 2 315.461 3.911 20 0 DHADLP C[N@@H+](Cc1nc2ccccc2o1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171643974 1032838822 /nfs/dbraw/zinc/83/88/22/1032838822.db2.gz YZGCJZPYVCVRSN-UHFFFAOYSA-N 2 2 315.461 3.911 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)CCC2 ZINC000671715956 1019654157 /nfs/dbraw/zinc/65/41/57/1019654157.db2.gz GWQASRQBDSBJQM-HKLWWIALSA-N 2 2 317.383 3.650 20 0 DHADLP Cc1cccc([C@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347604867 1019766581 /nfs/dbraw/zinc/76/65/81/1019766581.db2.gz FGQXPIROZJEYEJ-QGZVFWFLSA-N 2 2 315.486 3.850 20 0 DHADLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)c1 ZINC000347604867 1019766612 /nfs/dbraw/zinc/76/66/12/1019766612.db2.gz FGQXPIROZJEYEJ-QGZVFWFLSA-N 2 2 315.486 3.850 20 0 DHADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116385768 1019873754 /nfs/dbraw/zinc/87/37/54/1019873754.db2.gz UIPDIXBTYHKWBM-GHTZIAJQSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000116385768 1019873771 /nfs/dbraw/zinc/87/37/71/1019873771.db2.gz UIPDIXBTYHKWBM-GHTZIAJQSA-N 2 2 323.484 3.699 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000157784297 1019905514 /nfs/dbraw/zinc/90/55/14/1019905514.db2.gz AYMARHVGQRMVLL-WBVHZDCISA-N 2 2 324.415 3.813 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000157784297 1019905518 /nfs/dbraw/zinc/90/55/18/1019905518.db2.gz AYMARHVGQRMVLL-WBVHZDCISA-N 2 2 324.415 3.813 20 0 DHADLP Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000685571450 1019956426 /nfs/dbraw/zinc/95/64/26/1019956426.db2.gz UEQJZHFKFBDNGA-LBPRGKRZSA-N 2 2 310.401 3.636 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(Oc3ccccc3)c1)C2 ZINC000685629452 1019988632 /nfs/dbraw/zinc/98/86/32/1019988632.db2.gz BNJCMTATBAGWTM-INIZCTEOSA-N 2 2 319.408 3.849 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CCC(C3CCCCC3)CC1)C2 ZINC000685629789 1019988746 /nfs/dbraw/zinc/98/87/46/1019988746.db2.gz ZVMCFSRMFKKVPO-OFLPRAFFSA-N 2 2 301.478 3.996 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CC(CF)(CF)C1)C1CC1 ZINC000657981870 1020063040 /nfs/dbraw/zinc/06/30/40/1020063040.db2.gz WASZTTZKCQHZIS-SFHVURJKSA-N 2 2 322.443 3.574 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CC(CF)(CF)C1)C1CC1 ZINC000657981870 1020063047 /nfs/dbraw/zinc/06/30/47/1020063047.db2.gz WASZTTZKCQHZIS-SFHVURJKSA-N 2 2 322.443 3.574 20 0 DHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090570 1020136938 /nfs/dbraw/zinc/13/69/38/1020136938.db2.gz HVMBLOAFUKQRDH-YJBOKZPZSA-N 2 2 302.462 3.535 20 0 DHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090570 1020136942 /nfs/dbraw/zinc/13/69/42/1020136942.db2.gz HVMBLOAFUKQRDH-YJBOKZPZSA-N 2 2 302.462 3.535 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658095283 1020141818 /nfs/dbraw/zinc/14/18/18/1020141818.db2.gz FZPMAYGGNDFRMM-RGIVZKHGSA-N 2 2 316.489 3.650 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658095283 1020141821 /nfs/dbraw/zinc/14/18/21/1020141821.db2.gz FZPMAYGGNDFRMM-RGIVZKHGSA-N 2 2 316.489 3.650 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000658095592 1020142240 /nfs/dbraw/zinc/14/22/40/1020142240.db2.gz JFZWNEPJHDHYMH-KZNAEPCWSA-N 2 2 315.505 3.879 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000658095592 1020142249 /nfs/dbraw/zinc/14/22/49/1020142249.db2.gz JFZWNEPJHDHYMH-KZNAEPCWSA-N 2 2 315.505 3.879 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000347727073 1020188643 /nfs/dbraw/zinc/18/86/43/1020188643.db2.gz ATLDUEJEUDHFTK-NRFANRHFSA-N 2 2 317.436 3.610 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000347727073 1020188648 /nfs/dbraw/zinc/18/86/48/1020188648.db2.gz ATLDUEJEUDHFTK-NRFANRHFSA-N 2 2 317.436 3.610 20 0 DHADLP Cc1scc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1C ZINC000399926876 1020252175 /nfs/dbraw/zinc/25/21/75/1020252175.db2.gz NDJCDOQITDONGA-UHFFFAOYSA-N 2 2 301.459 3.519 20 0 DHADLP CCCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000658295979 1020285790 /nfs/dbraw/zinc/28/57/90/1020285790.db2.gz WQUFSQNFLHWTSJ-WOJBJXKFSA-N 2 2 316.489 3.761 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000361496462 1020364879 /nfs/dbraw/zinc/36/48/79/1020364879.db2.gz LBPGLUFOHMOOKO-IBGZPJMESA-N 2 2 307.372 3.789 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)sn1 ZINC000404428648 1020419641 /nfs/dbraw/zinc/41/96/41/1020419641.db2.gz KBQHERCNICCOLH-NVXWUHKLSA-N 2 2 315.486 3.594 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)sn1 ZINC000404428648 1020419655 /nfs/dbraw/zinc/41/96/55/1020419655.db2.gz KBQHERCNICCOLH-NVXWUHKLSA-N 2 2 315.486 3.594 20 0 DHADLP CCc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000347784918 1020421615 /nfs/dbraw/zinc/42/16/15/1020421615.db2.gz MJSBFXPYCNOTNG-FQEVSTJZSA-N 2 2 323.484 3.598 20 0 DHADLP CCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000347784918 1020421618 /nfs/dbraw/zinc/42/16/18/1020421618.db2.gz MJSBFXPYCNOTNG-FQEVSTJZSA-N 2 2 323.484 3.598 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000347784918 1020421627 /nfs/dbraw/zinc/42/16/27/1020421627.db2.gz MJSBFXPYCNOTNG-FQEVSTJZSA-N 2 2 323.484 3.598 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000347784918 1020421634 /nfs/dbraw/zinc/42/16/34/1020421634.db2.gz MJSBFXPYCNOTNG-FQEVSTJZSA-N 2 2 323.484 3.598 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(SC(F)F)cc1 ZINC000151153722 1020475065 /nfs/dbraw/zinc/47/50/65/1020475065.db2.gz WVZSXIYGHFVMMW-GFCCVEGCSA-N 2 2 311.401 3.939 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CC)c1ccc2c(c1)CCO2 ZINC000765908074 1020572823 /nfs/dbraw/zinc/57/28/23/1020572823.db2.gz XIYRLNPDQUAYCW-MSOLQXFVSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CC)c1ccc2c(c1)CCO2 ZINC000765908074 1020572831 /nfs/dbraw/zinc/57/28/31/1020572831.db2.gz XIYRLNPDQUAYCW-MSOLQXFVSA-N 2 2 302.462 3.537 20 0 DHADLP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347860174 1020604493 /nfs/dbraw/zinc/60/44/93/1020604493.db2.gz RLMTZFZMLUTFOT-HOCLYGCPSA-N 2 2 315.486 3.583 20 0 DHADLP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347860174 1020604514 /nfs/dbraw/zinc/60/45/14/1020604514.db2.gz RLMTZFZMLUTFOT-HOCLYGCPSA-N 2 2 315.486 3.583 20 0 DHADLP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347878008 1020642576 /nfs/dbraw/zinc/64/25/76/1020642576.db2.gz LTRBNHYFUVPLEX-WMLDXEAASA-N 2 2 315.486 3.583 20 0 DHADLP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347878008 1020642578 /nfs/dbraw/zinc/64/25/78/1020642578.db2.gz LTRBNHYFUVPLEX-WMLDXEAASA-N 2 2 315.486 3.583 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171957859 1032923182 /nfs/dbraw/zinc/92/31/82/1032923182.db2.gz FWNBPGFNDJJJIT-CYBMUJFWSA-N 2 2 302.384 3.568 20 0 DHADLP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000858531802 1032934204 /nfs/dbraw/zinc/93/42/04/1032934204.db2.gz AZHQWZYPLSLNHY-QAPCUYQASA-N 2 2 302.462 3.753 20 0 DHADLP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000858531802 1032934224 /nfs/dbraw/zinc/93/42/24/1032934224.db2.gz AZHQWZYPLSLNHY-QAPCUYQASA-N 2 2 302.462 3.753 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924569570 1020869596 /nfs/dbraw/zinc/86/95/96/1020869596.db2.gz IZEQDFLSXFTWIT-FQEVSTJZSA-N 2 2 309.457 3.553 20 0 DHADLP Cc1cccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282487880 1020950109 /nfs/dbraw/zinc/95/01/09/1020950109.db2.gz MHKSJLSDYGXJCU-FQEVSTJZSA-N 2 2 323.484 3.780 20 0 DHADLP Cc1cccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282487880 1020950114 /nfs/dbraw/zinc/95/01/14/1020950114.db2.gz MHKSJLSDYGXJCU-FQEVSTJZSA-N 2 2 323.484 3.780 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000766271056 1020999955 /nfs/dbraw/zinc/99/99/55/1020999955.db2.gz RBPUZJGOJQGTOT-SJORKVTESA-N 2 2 309.457 3.884 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000766271056 1020999961 /nfs/dbraw/zinc/99/99/61/1020999961.db2.gz RBPUZJGOJQGTOT-SJORKVTESA-N 2 2 309.457 3.884 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccns1 ZINC000858576154 1032951837 /nfs/dbraw/zinc/95/18/37/1032951837.db2.gz IDTBNJZXZFQEDJ-YCPHGPKFSA-N 2 2 307.507 3.837 20 0 DHADLP Cc1[nH+]c2ccc(-n3nc(C[NH3+])c4ccccc43)cc2n1C(C)C ZINC001167698242 1021120227 /nfs/dbraw/zinc/12/02/27/1021120227.db2.gz QJZCADYSLRFPDN-UHFFFAOYSA-N 2 2 319.412 3.723 20 0 DHADLP Clc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000337383712 1032957009 /nfs/dbraw/zinc/95/70/09/1032957009.db2.gz KFCAZJCURBYUCU-CYBMUJFWSA-N 2 2 319.836 3.845 20 0 DHADLP Clc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000337383712 1032957014 /nfs/dbraw/zinc/95/70/14/1032957014.db2.gz KFCAZJCURBYUCU-CYBMUJFWSA-N 2 2 319.836 3.845 20 0 DHADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccccc2n1C ZINC000091341547 1021275957 /nfs/dbraw/zinc/27/59/57/1021275957.db2.gz MHNGQNIPDJXULH-WMLDXEAASA-N 2 2 316.493 3.590 20 0 DHADLP CCc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000339012545 1032964853 /nfs/dbraw/zinc/96/48/53/1032964853.db2.gz SDLFWZGSQIUYEB-HXUWFJFHSA-N 2 2 323.484 3.598 20 0 DHADLP CCc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000339012545 1032964862 /nfs/dbraw/zinc/96/48/62/1032964862.db2.gz SDLFWZGSQIUYEB-HXUWFJFHSA-N 2 2 323.484 3.598 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000339012545 1032964872 /nfs/dbraw/zinc/96/48/72/1032964872.db2.gz SDLFWZGSQIUYEB-HXUWFJFHSA-N 2 2 323.484 3.598 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000339012545 1032964882 /nfs/dbraw/zinc/96/48/82/1032964882.db2.gz SDLFWZGSQIUYEB-HXUWFJFHSA-N 2 2 323.484 3.598 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(F)c1F ZINC000850060798 1021407561 /nfs/dbraw/zinc/40/75/61/1021407561.db2.gz UNYSUAGRECNHQB-CYBMUJFWSA-N 2 2 311.351 3.505 20 0 DHADLP C(=C\c1ccncc1)\C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337415421 1032981750 /nfs/dbraw/zinc/98/17/50/1032981750.db2.gz ZDPBBPOSPZLDIR-AJNOYIKESA-N 2 2 322.456 3.507 20 0 DHADLP C(=C\c1ccncc1)\C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337415421 1032981765 /nfs/dbraw/zinc/98/17/65/1032981765.db2.gz ZDPBBPOSPZLDIR-AJNOYIKESA-N 2 2 322.456 3.507 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683655 1021651713 /nfs/dbraw/zinc/65/17/13/1021651713.db2.gz SEDSYZDVFDACAO-JFIYKMOQSA-N 2 2 302.462 3.711 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683655 1021651721 /nfs/dbraw/zinc/65/17/21/1021651721.db2.gz SEDSYZDVFDACAO-JFIYKMOQSA-N 2 2 302.462 3.711 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)[N@H+](C)C1CC1 ZINC000498423177 1021657004 /nfs/dbraw/zinc/65/70/04/1021657004.db2.gz AOXBSTBRCOJFGU-RDTXWAMCSA-N 2 2 302.437 3.834 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)[N@@H+](C)C1CC1 ZINC000498423177 1021657011 /nfs/dbraw/zinc/65/70/11/1021657011.db2.gz AOXBSTBRCOJFGU-RDTXWAMCSA-N 2 2 302.437 3.834 20 0 DHADLP C[C@H](CC[NH2+][C@H]1CCc2cccnc21)[N@H+](C)Cc1ccccc1 ZINC000379646891 1021657680 /nfs/dbraw/zinc/65/76/80/1021657680.db2.gz JQQCKXJBJNUISN-APWZRJJASA-N 2 2 309.457 3.569 20 0 DHADLP C[C@H](CC[NH2+][C@H]1CCc2cccnc21)[N@@H+](C)Cc1ccccc1 ZINC000379646891 1021657687 /nfs/dbraw/zinc/65/76/87/1021657687.db2.gz JQQCKXJBJNUISN-APWZRJJASA-N 2 2 309.457 3.569 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)ccc(Cl)c1F)C2 ZINC001172103481 1033001971 /nfs/dbraw/zinc/00/19/71/1033001971.db2.gz VFQXUOQESIJNOO-CNDDSTCGSA-N 2 2 314.807 3.723 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)ccc(Cl)c1F)C2 ZINC001172103481 1033001988 /nfs/dbraw/zinc/00/19/88/1033001988.db2.gz VFQXUOQESIJNOO-CNDDSTCGSA-N 2 2 314.807 3.723 20 0 DHADLP C[C@H]([N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556495994 1021737725 /nfs/dbraw/zinc/73/77/25/1021737725.db2.gz ZCTSCPCLDYAPAN-HKUYNNGSSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@H]([N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556495994 1021737737 /nfs/dbraw/zinc/73/77/37/1021737737.db2.gz ZCTSCPCLDYAPAN-HKUYNNGSSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@H]([NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556495994 1021737748 /nfs/dbraw/zinc/73/77/48/1021737748.db2.gz ZCTSCPCLDYAPAN-HKUYNNGSSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@H]([NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556495994 1021737760 /nfs/dbraw/zinc/73/77/60/1021737760.db2.gz ZCTSCPCLDYAPAN-HKUYNNGSSA-N 2 2 318.505 3.644 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3cccc(Cl)c3)CC1)C2 ZINC001172106528 1033005769 /nfs/dbraw/zinc/00/57/69/1033005769.db2.gz PXNNTAWCANNVCM-BJWYYQGGSA-N 2 2 304.865 3.934 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3cccc(Cl)c3)CC1)C2 ZINC001172106528 1033005785 /nfs/dbraw/zinc/00/57/85/1033005785.db2.gz PXNNTAWCANNVCM-BJWYYQGGSA-N 2 2 304.865 3.934 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337457414 1033007754 /nfs/dbraw/zinc/00/77/54/1033007754.db2.gz JNGKUILRGFDVLM-OAHLLOKOSA-N 2 2 304.482 3.522 20 0 DHADLP CCC1CC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000556572900 1021780817 /nfs/dbraw/zinc/78/08/17/1021780817.db2.gz JAARODFDCAFYQV-UHFFFAOYSA-N 2 2 304.400 3.570 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)cc(Cl)cc1F)C2 ZINC001172105125 1033003543 /nfs/dbraw/zinc/00/35/43/1033003543.db2.gz HCEHYAPTQFKZPS-CLLJXQQHSA-N 2 2 314.807 3.723 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1c(F)cc(Cl)cc1F)C2 ZINC001172105125 1033003556 /nfs/dbraw/zinc/00/35/56/1033003556.db2.gz HCEHYAPTQFKZPS-CLLJXQQHSA-N 2 2 314.807 3.723 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)C2 ZINC001172106017 1033003832 /nfs/dbraw/zinc/00/38/32/1033003832.db2.gz MJMQUBMNNZYQAA-HUUJSLGLSA-N 2 2 321.468 3.776 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)C2 ZINC001172106017 1033003851 /nfs/dbraw/zinc/00/38/51/1033003851.db2.gz MJMQUBMNNZYQAA-HUUJSLGLSA-N 2 2 321.468 3.776 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)F)c2ccccc21 ZINC000262383810 1021932179 /nfs/dbraw/zinc/93/21/79/1021932179.db2.gz ZBBRDOJKMPFBQB-HUUCEWRRSA-N 2 2 304.340 3.522 20 0 DHADLP CC(C)(C)Oc1cc[nH+]c(NCCc2cn3ccccc3[nH+]2)c1 ZINC001169008421 1022212494 /nfs/dbraw/zinc/21/24/94/1022212494.db2.gz DHVNCNKXIUDXHH-UHFFFAOYSA-N 2 2 310.401 3.561 20 0 DHADLP CCCSC[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000893203137 1022230677 /nfs/dbraw/zinc/23/06/77/1022230677.db2.gz VNMUAFMWWRZUJW-HZPDHXFCSA-N 2 2 321.534 3.728 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648378062 1022326176 /nfs/dbraw/zinc/32/61/76/1022326176.db2.gz VZDAIKBOFPPFRQ-CYBMUJFWSA-N 2 2 321.852 3.645 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648378062 1022326196 /nfs/dbraw/zinc/32/61/96/1022326196.db2.gz VZDAIKBOFPPFRQ-CYBMUJFWSA-N 2 2 321.852 3.645 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1OC(F)F ZINC000268744828 1022376683 /nfs/dbraw/zinc/37/66/83/1022376683.db2.gz AFWDALBEICXLHW-AEGPPILISA-N 2 2 310.388 3.565 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1OC(F)F ZINC000268744828 1022376690 /nfs/dbraw/zinc/37/66/90/1022376690.db2.gz AFWDALBEICXLHW-AEGPPILISA-N 2 2 310.388 3.565 20 0 DHADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268835732 1022381902 /nfs/dbraw/zinc/38/19/02/1022381902.db2.gz SFUQXDMCVWOCSW-JKSUJKDBSA-N 2 2 301.434 3.657 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000156572969 1022475326 /nfs/dbraw/zinc/47/53/26/1022475326.db2.gz ZKLCMNCFHXPDPT-QLFBSQMISA-N 2 2 317.502 3.862 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000156572969 1022475331 /nfs/dbraw/zinc/47/53/31/1022475331.db2.gz ZKLCMNCFHXPDPT-QLFBSQMISA-N 2 2 317.502 3.862 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1sccc1Br ZINC000156569317 1022476497 /nfs/dbraw/zinc/47/64/97/1022476497.db2.gz XSNOWLMIFHUKJR-DCAQKATOSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1sccc1Br ZINC000156569317 1022476502 /nfs/dbraw/zinc/47/65/02/1022476502.db2.gz XSNOWLMIFHUKJR-DCAQKATOSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H](C)[NH+](C)C ZINC000671108699 1022526322 /nfs/dbraw/zinc/52/63/22/1022526322.db2.gz MNAIDVBMCDQJOQ-HUUCEWRRSA-N 2 2 301.478 3.764 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000158114283 1022602727 /nfs/dbraw/zinc/60/27/27/1022602727.db2.gz XQWGNXLIHYPMKV-NEPJUHHUSA-N 2 2 301.261 3.986 20 0 DHADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)c1ccccc1 ZINC001172237821 1033062536 /nfs/dbraw/zinc/06/25/36/1033062536.db2.gz YWRUTESAKCWTRJ-KKURMSBHSA-N 2 2 320.436 3.503 20 0 DHADLP C[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000179992213 1022605680 /nfs/dbraw/zinc/60/56/80/1022605680.db2.gz PLKHCYRCVLMCKP-HNNXBMFYSA-N 2 2 301.478 3.818 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334843 1022691236 /nfs/dbraw/zinc/69/12/36/1022691236.db2.gz RURYCOWXPYXXAN-PQEBFOHHSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334843 1022691248 /nfs/dbraw/zinc/69/12/48/1022691248.db2.gz RURYCOWXPYXXAN-PQEBFOHHSA-N 2 2 304.503 3.847 20 0 DHADLP CC[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CC1 ZINC000776856893 1022734666 /nfs/dbraw/zinc/73/46/66/1022734666.db2.gz YNELIXQNOVWWAG-IBGZPJMESA-N 2 2 301.478 3.818 20 0 DHADLP C[N@H+](Cc1ccc(Cl)nc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244788 1022941144 /nfs/dbraw/zinc/94/11/44/1022941144.db2.gz VEHBXUWRTLECTJ-UHFFFAOYSA-N 2 2 312.804 3.553 20 0 DHADLP C[N@@H+](Cc1ccc(Cl)nc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244788 1022941156 /nfs/dbraw/zinc/94/11/56/1022941156.db2.gz VEHBXUWRTLECTJ-UHFFFAOYSA-N 2 2 312.804 3.553 20 0 DHADLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000538559158 1033101268 /nfs/dbraw/zinc/10/12/68/1033101268.db2.gz YGNZYZWFWFMTEY-MOPGFXCFSA-N 2 2 324.472 3.785 20 0 DHADLP C[N@H+](CCc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337634262 1033110725 /nfs/dbraw/zinc/11/07/25/1033110725.db2.gz RIXYIHOVEUVMGA-UHFFFAOYSA-N 2 2 309.388 3.686 20 0 DHADLP C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337634262 1033110731 /nfs/dbraw/zinc/11/07/31/1033110731.db2.gz RIXYIHOVEUVMGA-UHFFFAOYSA-N 2 2 309.388 3.686 20 0 DHADLP CC(C)(C)Oc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000876650764 1033115315 /nfs/dbraw/zinc/11/53/15/1033115315.db2.gz JFNSMWLFAIJVFA-UHFFFAOYSA-N 2 2 313.445 3.967 20 0 DHADLP CC[C@@H](C)OCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172348317 1033131427 /nfs/dbraw/zinc/13/14/27/1033131427.db2.gz PNIWFOALGSEEBE-IAGOWNOFSA-N 2 2 315.461 3.898 20 0 DHADLP CC[C@@H](C)OCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172348317 1033131432 /nfs/dbraw/zinc/13/14/32/1033131432.db2.gz PNIWFOALGSEEBE-IAGOWNOFSA-N 2 2 315.461 3.898 20 0 DHADLP CC[C@@H](C)OCC[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172349854 1033133815 /nfs/dbraw/zinc/13/38/15/1033133815.db2.gz MRWHRWXKNIJEEO-LSDHHAIUSA-N 2 2 301.434 3.775 20 0 DHADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000651680807 1023454826 /nfs/dbraw/zinc/45/48/26/1023454826.db2.gz RKTJXVRBMPUZAE-VNHYZAJKSA-N 2 2 308.828 3.683 20 0 DHADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000651680807 1023454833 /nfs/dbraw/zinc/45/48/33/1023454833.db2.gz RKTJXVRBMPUZAE-VNHYZAJKSA-N 2 2 308.828 3.683 20 0 DHADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cc(F)ccc2O1 ZINC000651949094 1023672787 /nfs/dbraw/zinc/67/27/87/1023672787.db2.gz CROFESCYZHBKTA-KRWDZBQOSA-N 2 2 318.436 3.644 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC[N@@H+]1C ZINC000652267092 1023725544 /nfs/dbraw/zinc/72/55/44/1023725544.db2.gz PATBNWBUNPGMAE-XPKDYRNWSA-N 2 2 306.425 3.500 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC[N@H+]1C ZINC000652267092 1023725549 /nfs/dbraw/zinc/72/55/49/1023725549.db2.gz PATBNWBUNPGMAE-XPKDYRNWSA-N 2 2 306.425 3.500 20 0 DHADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000786802124 1023729888 /nfs/dbraw/zinc/72/98/88/1023729888.db2.gz WPNSCNQLYRABCR-UZLBHIALSA-N 2 2 321.424 3.738 20 0 DHADLP Cc1c([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cnn1C(C)C ZINC000786896619 1023735619 /nfs/dbraw/zinc/73/56/19/1023735619.db2.gz BKUYRZQUMHRHKZ-PBHICJAKSA-N 2 2 317.481 3.734 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000787291574 1023779901 /nfs/dbraw/zinc/77/99/01/1023779901.db2.gz AZYSKWZDEBPFDV-DNVCBOLYSA-N 2 2 319.408 3.527 20 0 DHADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000925737229 1023831607 /nfs/dbraw/zinc/83/16/07/1023831607.db2.gz QBXBJLALZNRSRW-LBPRGKRZSA-N 2 2 319.836 3.786 20 0 DHADLP CCOCC[C@H](C)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001172432660 1033167913 /nfs/dbraw/zinc/16/79/13/1033167913.db2.gz XUGOFOLLQWTNJJ-INIZCTEOSA-N 2 2 322.468 3.537 20 0 DHADLP CCOCC[C@H](C)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001172432660 1033167923 /nfs/dbraw/zinc/16/79/23/1033167923.db2.gz XUGOFOLLQWTNJJ-INIZCTEOSA-N 2 2 322.468 3.537 20 0 DHADLP C[C@H](CC[NH2+][C@H]1CCc2ccc(Cl)nc21)[NH+]1CCCCC1 ZINC000788737074 1023932413 /nfs/dbraw/zinc/93/24/13/1023932413.db2.gz HZXPWDPRXYHKBV-HIFRSBDPSA-N 2 2 307.869 3.576 20 0 DHADLP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000876886182 1033176317 /nfs/dbraw/zinc/17/63/17/1033176317.db2.gz WEQUXWLLKZDNFH-GJZGRUSLSA-N 2 2 313.272 3.607 20 0 DHADLP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001172399865 1033184160 /nfs/dbraw/zinc/18/41/60/1033184160.db2.gz HTSAACZKDPQECR-HSALFYBXSA-N 2 2 318.505 3.690 20 0 DHADLP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001172399865 1033184169 /nfs/dbraw/zinc/18/41/69/1033184169.db2.gz HTSAACZKDPQECR-HSALFYBXSA-N 2 2 318.505 3.690 20 0 DHADLP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001172399869 1033184975 /nfs/dbraw/zinc/18/49/75/1033184975.db2.gz HTSAACZKDPQECR-VAMGGRTRSA-N 2 2 318.505 3.690 20 0 DHADLP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001172399869 1033184981 /nfs/dbraw/zinc/18/49/81/1033184981.db2.gz HTSAACZKDPQECR-VAMGGRTRSA-N 2 2 318.505 3.690 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+]C[C@H]2CCC=CO2)CCCC1)c1ccccc1 ZINC000789743443 1024160449 /nfs/dbraw/zinc/16/04/49/1024160449.db2.gz ANLNRCNNOFJEAU-PKOBYXMFSA-N 2 2 314.473 3.932 20 0 DHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000268814017 1024168060 /nfs/dbraw/zinc/16/80/60/1024168060.db2.gz LUSHYVOXTOWFGR-QWHCGFSZSA-N 2 2 309.360 3.532 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000531682559 1024269739 /nfs/dbraw/zinc/26/97/39/1024269739.db2.gz RDGIRLMXYZWNCQ-MAZHCROVSA-N 2 2 308.466 3.825 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000531682559 1024269744 /nfs/dbraw/zinc/26/97/44/1024269744.db2.gz RDGIRLMXYZWNCQ-MAZHCROVSA-N 2 2 308.466 3.825 20 0 DHADLP c1cn(Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCCC3)cc2)c[nH+]1 ZINC000453070516 1024299140 /nfs/dbraw/zinc/29/91/40/1024299140.db2.gz COHPITKTHNYAPR-HXUWFJFHSA-N 2 2 309.457 3.990 20 0 DHADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883259598 1024331963 /nfs/dbraw/zinc/33/19/63/1024331963.db2.gz ROVXDFAHVJLYDR-IRXDYDNUSA-N 2 2 322.880 3.844 20 0 DHADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883259598 1024331978 /nfs/dbraw/zinc/33/19/78/1024331978.db2.gz ROVXDFAHVJLYDR-IRXDYDNUSA-N 2 2 322.880 3.844 20 0 DHADLP C[C@@H](Cc1cccs1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387523 1024420451 /nfs/dbraw/zinc/42/04/51/1024420451.db2.gz YYXPSPGOULSYCW-YJBOKZPZSA-N 2 2 311.454 3.907 20 0 DHADLP c1cn(C[C@H]([NH2+][C@H]2CCc3ccccc32)c2ccccc2)c[nH+]1 ZINC000883387158 1024421035 /nfs/dbraw/zinc/42/10/35/1024421035.db2.gz SKVYISMISRCBBK-PMACEKPBSA-N 2 2 303.409 3.902 20 0 DHADLP CC(C)OCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172454888 1033210110 /nfs/dbraw/zinc/21/01/10/1033210110.db2.gz NSRYKEMIMOGPJC-INIZCTEOSA-N 2 2 301.434 3.508 20 0 DHADLP CC(C)OCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172454888 1033210116 /nfs/dbraw/zinc/21/01/16/1033210116.db2.gz NSRYKEMIMOGPJC-INIZCTEOSA-N 2 2 301.434 3.508 20 0 DHADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453277746 1024436178 /nfs/dbraw/zinc/43/61/78/1024436178.db2.gz BQDQUKRUMLJZGE-JRBPQWBISA-N 2 2 315.505 3.708 20 0 DHADLP CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453277746 1024436184 /nfs/dbraw/zinc/43/61/84/1024436184.db2.gz BQDQUKRUMLJZGE-JRBPQWBISA-N 2 2 315.505 3.708 20 0 DHADLP C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000132211185 1024463921 /nfs/dbraw/zinc/46/39/21/1024463921.db2.gz JMZMRASTFJUZNH-JXFKEZNVSA-N 2 2 315.505 3.890 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000271190566 1024468211 /nfs/dbraw/zinc/46/82/11/1024468211.db2.gz LKCGVZIHMVYTEG-ZFWWWQNUSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000271190566 1024468216 /nfs/dbraw/zinc/46/82/16/1024468216.db2.gz LKCGVZIHMVYTEG-ZFWWWQNUSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000271190566 1024468220 /nfs/dbraw/zinc/46/82/20/1024468220.db2.gz LKCGVZIHMVYTEG-ZFWWWQNUSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000271190566 1024468227 /nfs/dbraw/zinc/46/82/27/1024468227.db2.gz LKCGVZIHMVYTEG-ZFWWWQNUSA-N 2 2 312.404 3.511 20 0 DHADLP CC1(C)CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000316117067 1024569143 /nfs/dbraw/zinc/56/91/43/1024569143.db2.gz SRKBNTDGEYXWSC-INIZCTEOSA-N 2 2 301.478 3.999 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532300958 1024599209 /nfs/dbraw/zinc/59/92/09/1024599209.db2.gz SABJOCMRNVLWEQ-OXQOHEQNSA-N 2 2 324.468 3.935 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532300958 1024599217 /nfs/dbraw/zinc/59/92/17/1024599217.db2.gz SABJOCMRNVLWEQ-OXQOHEQNSA-N 2 2 324.468 3.935 20 0 DHADLP c1cn(-c2cccc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC000348264215 1024617243 /nfs/dbraw/zinc/61/72/43/1024617243.db2.gz MYKDNMALXILKQB-UYAOXDASSA-N 2 2 303.409 3.766 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OC(F)F)CC1 ZINC000111241262 1024750084 /nfs/dbraw/zinc/75/00/84/1024750084.db2.gz IFLSKWSPFMKDBU-UHFFFAOYSA-N 2 2 312.404 3.594 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OC(F)F)CC1 ZINC000111241262 1024750095 /nfs/dbraw/zinc/75/00/95/1024750095.db2.gz IFLSKWSPFMKDBU-UHFFFAOYSA-N 2 2 312.404 3.594 20 0 DHADLP Cc1ccc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000353160672 1024969202 /nfs/dbraw/zinc/96/92/02/1024969202.db2.gz DVUBLVJANKMSAU-UHFFFAOYSA-N 2 2 306.413 3.601 20 0 DHADLP FCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000353399811 1025053982 /nfs/dbraw/zinc/05/39/82/1025053982.db2.gz DJXKJBJKTFQJOV-MSOLQXFVSA-N 2 2 301.409 3.549 20 0 DHADLP Clc1csc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000877144388 1033256483 /nfs/dbraw/zinc/25/64/83/1033256483.db2.gz LTKOPDRCROILPX-UHFFFAOYSA-N 2 2 321.877 3.682 20 0 DHADLP Cc1sccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000353521536 1025106579 /nfs/dbraw/zinc/10/65/79/1025106579.db2.gz PYIMPXHGIRCEPB-UHFFFAOYSA-N 2 2 303.475 3.945 20 0 DHADLP FC(F)(F)CC[NH+]1CCC(Nc2cc(C3CC3)cc[nH+]2)CC1 ZINC000353538425 1025114301 /nfs/dbraw/zinc/11/43/01/1025114301.db2.gz HXYHRKOJROJGBS-UHFFFAOYSA-N 2 2 313.367 3.788 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CN(C)C(C)C)cc1 ZINC000353562947 1025129976 /nfs/dbraw/zinc/12/99/76/1025129976.db2.gz CQWVBAZHZSVLPO-CVEARBPZSA-N 2 2 314.477 3.560 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000353639997 1025170971 /nfs/dbraw/zinc/17/09/71/1025170971.db2.gz FPWCTMTWPCAPKR-GXTWGEPZSA-N 2 2 301.459 3.730 20 0 DHADLP Fc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1F ZINC000635011288 1025171635 /nfs/dbraw/zinc/17/16/35/1025171635.db2.gz YRPUHWPVHSWUNC-RDJZCZTQSA-N 2 2 302.368 3.548 20 0 DHADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)s2)o1 ZINC000353754187 1025235431 /nfs/dbraw/zinc/23/54/31/1025235431.db2.gz YQSWAODOMYWFSD-GXTWGEPZSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1ccc(-c2ncc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)s2)o1 ZINC000353754187 1025235441 /nfs/dbraw/zinc/23/54/41/1025235441.db2.gz YQSWAODOMYWFSD-GXTWGEPZSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)s2)o1 ZINC000353754187 1025235454 /nfs/dbraw/zinc/23/54/54/1025235454.db2.gz YQSWAODOMYWFSD-GXTWGEPZSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)s2)o1 ZINC000353754187 1025235457 /nfs/dbraw/zinc/23/54/57/1025235457.db2.gz YQSWAODOMYWFSD-GXTWGEPZSA-N 2 2 319.474 3.626 20 0 DHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCC(C)CC1)[C@@H]2C ZINC001168214975 1025328545 /nfs/dbraw/zinc/32/85/45/1025328545.db2.gz JVBQAZGHKFDSSS-AQFXKWCLSA-N 2 2 318.509 3.679 20 0 DHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCC(C)CC1)[C@@H]2C ZINC001168214975 1025328563 /nfs/dbraw/zinc/32/85/63/1025328563.db2.gz JVBQAZGHKFDSSS-AQFXKWCLSA-N 2 2 318.509 3.679 20 0 DHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCC(C)CC1)[C@@H]2C ZINC001168214975 1025328577 /nfs/dbraw/zinc/32/85/77/1025328577.db2.gz JVBQAZGHKFDSSS-AQFXKWCLSA-N 2 2 318.509 3.679 20 0 DHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCC(C)CC1)[C@@H]2C ZINC001168214975 1025328585 /nfs/dbraw/zinc/32/85/85/1025328585.db2.gz JVBQAZGHKFDSSS-AQFXKWCLSA-N 2 2 318.509 3.679 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000123668972 1025394508 /nfs/dbraw/zinc/39/45/08/1025394508.db2.gz LGEDIAHYQHMJSN-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000123668972 1025394519 /nfs/dbraw/zinc/39/45/19/1025394519.db2.gz LGEDIAHYQHMJSN-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000354306199 1025400617 /nfs/dbraw/zinc/40/06/17/1025400617.db2.gz VAVJEUPLPASRDQ-NUJGCVRESA-N 2 2 310.526 3.680 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000354400748 1025422465 /nfs/dbraw/zinc/42/24/65/1025422465.db2.gz HLNIYYAMJKMJQP-NRFANRHFSA-N 2 2 323.484 3.577 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000354400748 1025422470 /nfs/dbraw/zinc/42/24/70/1025422470.db2.gz HLNIYYAMJKMJQP-NRFANRHFSA-N 2 2 323.484 3.577 20 0 DHADLP Cc1nc(NCC(C)(C)C[NH+](C)C)cc(C2CCCCC2)[nH+]1 ZINC001157944850 1025653431 /nfs/dbraw/zinc/65/34/31/1025653431.db2.gz SJJXZTCNOKYTIO-UHFFFAOYSA-N 2 2 304.482 3.832 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@H](C)C(C)(C)C3)sc2C1 ZINC000355521367 1025752624 /nfs/dbraw/zinc/75/26/24/1025752624.db2.gz YYUHSLZRMUHWDQ-AWEZNQCLSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@H](C)C(C)(C)C3)sc2C1 ZINC000355521367 1025752648 /nfs/dbraw/zinc/75/26/48/1025752648.db2.gz YYUHSLZRMUHWDQ-AWEZNQCLSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@H](C)C(C)(C)C3)sc2C1 ZINC000355521367 1025752661 /nfs/dbraw/zinc/75/26/61/1025752661.db2.gz YYUHSLZRMUHWDQ-AWEZNQCLSA-N 2 2 321.534 3.778 20 0 DHADLP Cc1[nH+]ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c1Cl ZINC000355663224 1025804924 /nfs/dbraw/zinc/80/49/24/1025804924.db2.gz DKKHSGJSNBJFEG-UHFFFAOYSA-N 2 2 318.852 3.937 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cscc2C(F)(F)F)[C@H](C)C1 ZINC000356109389 1025948339 /nfs/dbraw/zinc/94/83/39/1025948339.db2.gz KLYNDXTUQXGVFO-BXUZGUMPSA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cscc2C(F)(F)F)[C@H](C)C1 ZINC000356109389 1025948350 /nfs/dbraw/zinc/94/83/50/1025948350.db2.gz KLYNDXTUQXGVFO-BXUZGUMPSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cscc2C(F)(F)F)[C@H](C)C1 ZINC000356109389 1025948358 /nfs/dbraw/zinc/94/83/58/1025948358.db2.gz KLYNDXTUQXGVFO-BXUZGUMPSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cscc2C(F)(F)F)[C@H](C)C1 ZINC000356109389 1025948368 /nfs/dbraw/zinc/94/83/68/1025948368.db2.gz KLYNDXTUQXGVFO-BXUZGUMPSA-N 2 2 320.424 3.929 20 0 DHADLP Cc1ncsc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245572998 1026083628 /nfs/dbraw/zinc/08/36/28/1026083628.db2.gz YQHLJMABMKDSJL-ZBFHGGJFSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncsc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245572998 1026083635 /nfs/dbraw/zinc/08/36/35/1026083635.db2.gz YQHLJMABMKDSJL-ZBFHGGJFSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncsc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245572998 1026083655 /nfs/dbraw/zinc/08/36/55/1026083655.db2.gz YQHLJMABMKDSJL-ZBFHGGJFSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncsc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245572998 1026083675 /nfs/dbraw/zinc/08/36/75/1026083675.db2.gz YQHLJMABMKDSJL-ZBFHGGJFSA-N 2 2 307.507 3.538 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(CSC(F)F)o2)CC[N@@H+]1C ZINC000093644779 1026119127 /nfs/dbraw/zinc/11/91/27/1026119127.db2.gz DQXISHOETYQQDI-VXGBXAGGSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(CSC(F)F)o2)CC[N@H+]1C ZINC000093644779 1026119135 /nfs/dbraw/zinc/11/91/35/1026119135.db2.gz DQXISHOETYQQDI-VXGBXAGGSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(CSC(F)F)o2)CC[NH+]1C ZINC000093644779 1026119145 /nfs/dbraw/zinc/11/91/45/1026119145.db2.gz DQXISHOETYQQDI-VXGBXAGGSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(CSC(F)F)o2)CC[NH+]1C ZINC000093644779 1026119154 /nfs/dbraw/zinc/11/91/54/1026119154.db2.gz DQXISHOETYQQDI-VXGBXAGGSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644308 1026119384 /nfs/dbraw/zinc/11/93/84/1026119384.db2.gz UBIQWMBIOBZLTQ-AAEUAGOBSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000093644308 1026119388 /nfs/dbraw/zinc/11/93/88/1026119388.db2.gz UBIQWMBIOBZLTQ-AAEUAGOBSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644308 1026119393 /nfs/dbraw/zinc/11/93/93/1026119393.db2.gz UBIQWMBIOBZLTQ-AAEUAGOBSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC[NH+]1C ZINC000093644308 1026119398 /nfs/dbraw/zinc/11/93/98/1026119398.db2.gz UBIQWMBIOBZLTQ-AAEUAGOBSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1C ZINC000093645117 1026125261 /nfs/dbraw/zinc/12/52/61/1026125261.db2.gz KCWTVKWRKNVBQV-RISCZKNCSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2C(F)(F)F)CC[N@H+]1C ZINC000093645117 1026125268 /nfs/dbraw/zinc/12/52/68/1026125268.db2.gz KCWTVKWRKNVBQV-RISCZKNCSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC[NH+]1C ZINC000093645117 1026125273 /nfs/dbraw/zinc/12/52/73/1026125273.db2.gz KCWTVKWRKNVBQV-RISCZKNCSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC[NH+]1C ZINC000093645117 1026125276 /nfs/dbraw/zinc/12/52/76/1026125276.db2.gz KCWTVKWRKNVBQV-RISCZKNCSA-N 2 2 318.358 3.759 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCCn1cc[nH+]c1 ZINC000289707242 1026137574 /nfs/dbraw/zinc/13/75/74/1026137574.db2.gz CBSLAMMYCWVUTH-SDNWHVSQSA-N 2 2 321.371 3.568 20 0 DHADLP c1cc(-c2ccc3c(C4C[NH+](CC5CCC5)C4)[nH+]cn3c2)co1 ZINC001202740207 1026164249 /nfs/dbraw/zinc/16/42/49/1026164249.db2.gz XLOKQLGGEKOMEI-UHFFFAOYSA-N 2 2 307.397 3.794 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000356826782 1026186610 /nfs/dbraw/zinc/18/66/10/1026186610.db2.gz BNWWNAZALHCORI-MRXNPFEDSA-N 2 2 320.440 3.740 20 0 DHADLP c1cn(-c2ccc(C[NH2+]Cc3cccc4c3NCCC4)cc2)c[nH+]1 ZINC000894211612 1026440177 /nfs/dbraw/zinc/44/01/77/1026440177.db2.gz RZUPUDAIAMZZIJ-UHFFFAOYSA-N 2 2 318.424 3.520 20 0 DHADLP CC(C)C[C@@H](C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000809624561 1026574508 /nfs/dbraw/zinc/57/45/08/1026574508.db2.gz OARBLRDEXWFKQU-QGZVFWFLSA-N 2 2 317.521 3.993 20 0 DHADLP c1cc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cs1 ZINC001204040410 1026760506 /nfs/dbraw/zinc/76/05/06/1026760506.db2.gz WYMSAUIXKGDOLY-UHFFFAOYSA-N 2 2 312.482 3.771 20 0 DHADLP c1cc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cs1 ZINC001204040410 1026760514 /nfs/dbraw/zinc/76/05/14/1026760514.db2.gz WYMSAUIXKGDOLY-UHFFFAOYSA-N 2 2 312.482 3.771 20 0 DHADLP Clc1cccc2c1CC[C@H]2[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000420296570 1026795096 /nfs/dbraw/zinc/79/50/96/1026795096.db2.gz XDSHXOBOIZPEBA-GOSISDBHSA-N 2 2 304.865 3.791 20 0 DHADLP C[C@@H](CC[NH2+]Cc1ccnc(Cl)c1Cl)[NH+]1CCCCC1 ZINC000811489818 1027012177 /nfs/dbraw/zinc/01/21/77/1027012177.db2.gz HYJFLIQLRSMTKR-LBPRGKRZSA-N 2 2 316.276 3.743 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc(F)cc1Cl ZINC000811475551 1027016350 /nfs/dbraw/zinc/01/63/50/1027016350.db2.gz OVOLPFCWGKEVOJ-MRXNPFEDSA-N 2 2 323.843 3.923 20 0 DHADLP [NH3+]C1CCC(N(c2cccc[nH+]2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170640031 1027048819 /nfs/dbraw/zinc/04/88/19/1027048819.db2.gz GHEMSPMIPLGUTF-WZOJCFFYSA-N 2 2 307.441 3.714 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000571328659 1027118557 /nfs/dbraw/zinc/11/85/57/1027118557.db2.gz PYENTLNEGZLVMI-LLVKDONJSA-N 2 2 319.251 3.952 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000571328659 1027118573 /nfs/dbraw/zinc/11/85/73/1027118573.db2.gz PYENTLNEGZLVMI-LLVKDONJSA-N 2 2 319.251 3.952 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC000362294012 1027131264 /nfs/dbraw/zinc/13/12/64/1027131264.db2.gz QKLKQSAHTGCNEJ-WMZOPIPTSA-N 2 2 315.848 3.901 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170673350 1027237232 /nfs/dbraw/zinc/23/72/32/1027237232.db2.gz MTOCURAFKVEDMO-YOEHRIQHSA-N 2 2 322.443 3.532 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccn1 ZINC000573060451 1027256460 /nfs/dbraw/zinc/25/64/60/1027256460.db2.gz QULVKBGQKWSABH-LSDHHAIUSA-N 2 2 322.412 3.688 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000422562026 1027283264 /nfs/dbraw/zinc/28/32/64/1027283264.db2.gz PAIOSMKERQSIDB-JHJVBQTASA-N 2 2 321.515 3.677 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000422562026 1027283277 /nfs/dbraw/zinc/28/32/77/1027283277.db2.gz PAIOSMKERQSIDB-JHJVBQTASA-N 2 2 321.515 3.677 20 0 DHADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422791017 1027330097 /nfs/dbraw/zinc/33/00/97/1027330097.db2.gz YBJCIELIZZQDDZ-OAUYIBNBSA-N 2 2 310.844 3.880 20 0 DHADLP CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422881500 1027346326 /nfs/dbraw/zinc/34/63/26/1027346326.db2.gz YSNFEGIXTKISLN-HUUCEWRRSA-N 2 2 313.445 3.831 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccc1OCC(C)C ZINC000422941152 1027367556 /nfs/dbraw/zinc/36/75/56/1027367556.db2.gz NWXFGHSPSDEDQZ-ZOBUZTSGSA-N 2 2 320.477 3.521 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccc1OCC(C)C ZINC000422941148 1027368719 /nfs/dbraw/zinc/36/87/19/1027368719.db2.gz NWXFGHSPSDEDQZ-UXLLHSPISA-N 2 2 320.477 3.521 20 0 DHADLP Clc1ccc(C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000422945792 1027374528 /nfs/dbraw/zinc/37/45/28/1027374528.db2.gz NWSWAMPYYNADRJ-QZTJIDSGSA-N 2 2 300.833 3.575 20 0 DHADLP CCCCCn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(C)n1 ZINC000423024342 1027395041 /nfs/dbraw/zinc/39/50/41/1027395041.db2.gz LNGNIMOAJYFXTF-MOPGFXCFSA-N 2 2 312.461 3.616 20 0 DHADLP COC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000423079450 1027409798 /nfs/dbraw/zinc/40/97/98/1027409798.db2.gz ABYGFLWEWFQWJA-KURKYZTESA-N 2 2 316.832 3.762 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423123080 1027422028 /nfs/dbraw/zinc/42/20/28/1027422028.db2.gz LYWNWGDLOUKSEK-FVQBIDKESA-N 2 2 314.395 3.528 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCc2sc(Cl)cc21)c1c[nH+]ccc1N ZINC000423131789 1027427801 /nfs/dbraw/zinc/42/78/01/1027427801.db2.gz OJSYBBDRLGTOJQ-TVQRCGJNSA-N 2 2 307.850 3.937 20 0 DHADLP Cc1ccc2cc([C@H](C)[NH2+]CCC[NH2+]Cc3cccnc3)oc2c1 ZINC000423194250 1027452630 /nfs/dbraw/zinc/45/26/30/1027452630.db2.gz YREWOYVSMOKRSJ-INIZCTEOSA-N 2 2 323.440 3.967 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(SCC(F)(F)F)cc1 ZINC000423197007 1027452816 /nfs/dbraw/zinc/45/28/16/1027452816.db2.gz XGVRKFZNTSDJMP-WCQYABFASA-N 2 2 318.408 3.744 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423194303 1027453194 /nfs/dbraw/zinc/45/31/94/1027453194.db2.gz RFDFSRYDVRZWAR-VQIMIIECSA-N 2 2 310.441 3.668 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000423234258 1027456280 /nfs/dbraw/zinc/45/62/80/1027456280.db2.gz FKIMAYSNMUVIRW-MKXGPGLRSA-N 2 2 316.489 3.603 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000423234259 1027456754 /nfs/dbraw/zinc/45/67/54/1027456754.db2.gz FKIMAYSNMUVIRW-NCXUSEDFSA-N 2 2 316.489 3.603 20 0 DHADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423240601 1027460015 /nfs/dbraw/zinc/46/00/15/1027460015.db2.gz KSPXCLIHZDCONF-LRDDRELGSA-N 2 2 306.356 3.639 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423231365 1027468263 /nfs/dbraw/zinc/46/82/63/1027468263.db2.gz ATVRGYJKBZRRIG-IPMKNSEASA-N 2 2 304.478 3.605 20 0 DHADLP Cc1cc([C@@H]([NH2+]CC2C[NH2+]C2)c2cccc(Cl)c2)c(C)s1 ZINC000423312079 1027497224 /nfs/dbraw/zinc/49/72/24/1027497224.db2.gz CSQIGTNGSAOSOV-KRWDZBQOSA-N 2 2 320.889 3.917 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423294635 1027499800 /nfs/dbraw/zinc/49/98/00/1027499800.db2.gz CLRNWGQVMVBQBB-WFASDCNBSA-N 2 2 315.383 3.585 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423302304 1027504132 /nfs/dbraw/zinc/50/41/32/1027504132.db2.gz VKAYCIHQZYZHQK-JQWIXIFHSA-N 2 2 304.356 3.595 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000423371603 1027525341 /nfs/dbraw/zinc/52/53/41/1027525341.db2.gz HQQRRNRHAYVHDQ-OPRDCNLKSA-N 2 2 305.224 3.924 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000423383477 1027528241 /nfs/dbraw/zinc/52/82/41/1027528241.db2.gz PEGLZIJEMSGQTR-MISXGVKJSA-N 2 2 311.267 3.585 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000423385573 1027532195 /nfs/dbraw/zinc/53/21/95/1027532195.db2.gz RCDHWKWLYIQHLN-VNHYZAJKSA-N 2 2 301.459 3.601 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000423498842 1027564161 /nfs/dbraw/zinc/56/41/61/1027564161.db2.gz ILENRRAMDZFIQZ-RBUKOAKNSA-N 2 2 310.441 3.535 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423515960 1027576868 /nfs/dbraw/zinc/57/68/68/1027576868.db2.gz XRQHHDJKPAARKI-VQTJNVASSA-N 2 2 309.457 3.775 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnoc2C2CC2)C1 ZINC000363460222 1027643656 /nfs/dbraw/zinc/64/36/56/1027643656.db2.gz YOJLUQAFULWBJL-INIZCTEOSA-N 2 2 314.433 3.709 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnoc2C2CC2)C1 ZINC000363460222 1027643666 /nfs/dbraw/zinc/64/36/66/1027643666.db2.gz YOJLUQAFULWBJL-INIZCTEOSA-N 2 2 314.433 3.709 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](c2ccccc2)C1 ZINC000576990358 1027689997 /nfs/dbraw/zinc/68/99/97/1027689997.db2.gz OSXBXXNCJJLGBU-OWLYRPNTSA-N 2 2 309.457 3.829 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1csc(Cl)c1Cl)C2 ZINC000365328983 1027925729 /nfs/dbraw/zinc/92/57/29/1027925729.db2.gz GVUZQLZACHJGRF-SNVBAGLBSA-N 2 2 316.257 3.664 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000365470858 1027951447 /nfs/dbraw/zinc/95/14/47/1027951447.db2.gz JOHQJQRZQOMXTF-CYBMUJFWSA-N 2 2 321.515 3.788 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000365470858 1027951457 /nfs/dbraw/zinc/95/14/57/1027951457.db2.gz JOHQJQRZQOMXTF-CYBMUJFWSA-N 2 2 321.515 3.788 20 0 DHADLP CC(C)OCC[NH+]1CCC(Nc2[nH+]ccc3ccccc32)CC1 ZINC000527914911 1027964804 /nfs/dbraw/zinc/96/48/04/1027964804.db2.gz TVNHFUGPGJRYBY-UHFFFAOYSA-N 2 2 313.445 3.536 20 0 DHADLP c1cncc([C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C2CCC2)c1 ZINC000527954137 1027986216 /nfs/dbraw/zinc/98/62/16/1027986216.db2.gz YPYIDBDXVLIYTK-PMACEKPBSA-N 2 2 313.489 3.919 20 0 DHADLP c1cncc([C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C2CCC2)c1 ZINC000527954137 1027986220 /nfs/dbraw/zinc/98/62/20/1027986220.db2.gz YPYIDBDXVLIYTK-PMACEKPBSA-N 2 2 313.489 3.919 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528013568 1028042784 /nfs/dbraw/zinc/04/27/84/1028042784.db2.gz SMLYBVVWXYBRLY-QAPCUYQASA-N 2 2 302.462 3.753 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528013568 1028042796 /nfs/dbraw/zinc/04/27/96/1028042796.db2.gz SMLYBVVWXYBRLY-QAPCUYQASA-N 2 2 302.462 3.753 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCSc3ccccc31)CCC2 ZINC000366212200 1028060419 /nfs/dbraw/zinc/06/04/19/1028060419.db2.gz VQJWDZGTWVQQCL-ZBFHGGJFSA-N 2 2 313.470 3.896 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc3ccccc3n1)CCC2 ZINC000366226504 1028064953 /nfs/dbraw/zinc/06/49/53/1028064953.db2.gz AUYKEDZHDVUSQV-WBVHZDCISA-N 2 2 320.440 3.968 20 0 DHADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000366216719 1028065185 /nfs/dbraw/zinc/06/51/85/1028065185.db2.gz ARNJKXBRHRJOAN-NVXWUHKLSA-N 2 2 313.445 3.646 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc3ccccc3n1)CCC2 ZINC000366226502 1028066700 /nfs/dbraw/zinc/06/67/00/1028066700.db2.gz AUYKEDZHDVUSQV-NVXWUHKLSA-N 2 2 320.440 3.968 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](Cc1cccc(C)c1)C1CC1)CCC2 ZINC000366230386 1028067403 /nfs/dbraw/zinc/06/74/03/1028067403.db2.gz LIFYPVABPJMJKT-WOJBJXKFSA-N 2 2 323.484 3.988 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)CCC2 ZINC000366492126 1028088624 /nfs/dbraw/zinc/08/86/24/1028088624.db2.gz UKIHJIYIKVJTML-ZWKOTPCHSA-N 2 2 310.445 3.595 20 0 DHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578263357 1028105063 /nfs/dbraw/zinc/10/50/63/1028105063.db2.gz ASMDZMFUNXBNBE-BAHPRDJBSA-N 2 2 320.427 3.642 20 0 DHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578263357 1028105072 /nfs/dbraw/zinc/10/50/72/1028105072.db2.gz ASMDZMFUNXBNBE-BAHPRDJBSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578263357 1028105082 /nfs/dbraw/zinc/10/50/82/1028105082.db2.gz ASMDZMFUNXBNBE-BAHPRDJBSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578263357 1028105092 /nfs/dbraw/zinc/10/50/92/1028105092.db2.gz ASMDZMFUNXBNBE-BAHPRDJBSA-N 2 2 320.427 3.642 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(SC(F)F)cc1 ZINC000779063783 1028124919 /nfs/dbraw/zinc/12/49/19/1028124919.db2.gz DYQWRDAMNJPPRI-DGCLKSJQSA-N 2 2 323.412 3.863 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1nc(-c2ccccc2)cs1 ZINC000578404720 1028142764 /nfs/dbraw/zinc/14/27/64/1028142764.db2.gz BGVQAHWQKDGQER-JSGCOSHPSA-N 2 2 324.453 3.741 20 0 DHADLP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000367748559 1028234312 /nfs/dbraw/zinc/23/43/12/1028234312.db2.gz IYNCIHZPDPJCII-KRWDZBQOSA-N 2 2 320.864 3.770 20 0 DHADLP COc1cccc2c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cccc12 ZINC000449014405 1028243838 /nfs/dbraw/zinc/24/38/38/1028243838.db2.gz HOROUFWTVGMNMY-MRXNPFEDSA-N 2 2 321.424 3.951 20 0 DHADLP COc1cccc2c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cccc12 ZINC000449014405 1028243855 /nfs/dbraw/zinc/24/38/55/1028243855.db2.gz HOROUFWTVGMNMY-MRXNPFEDSA-N 2 2 321.424 3.951 20 0 DHADLP c1csc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)c1 ZINC000367994259 1028270737 /nfs/dbraw/zinc/27/07/37/1028270737.db2.gz KCFZSXJXOHRNMG-GUYCJALGSA-N 2 2 301.459 3.850 20 0 DHADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000367996918 1028272288 /nfs/dbraw/zinc/27/22/88/1028272288.db2.gz KGKHHNFXGMBJKX-BMFAXAFESA-N 2 2 320.525 3.607 20 0 DHADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000367996918 1028272300 /nfs/dbraw/zinc/27/23/00/1028272300.db2.gz KGKHHNFXGMBJKX-BMFAXAFESA-N 2 2 320.525 3.607 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(C)(C)C)cc1 ZINC000368097929 1028297319 /nfs/dbraw/zinc/29/73/19/1028297319.db2.gz AOZYFTKVDBCMJL-HIFRSBDPSA-N 2 2 313.445 3.795 20 0 DHADLP Clc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000368102414 1028298905 /nfs/dbraw/zinc/29/89/05/1028298905.db2.gz OHHFIKRQAGFPEV-WMLDXEAASA-N 2 2 301.821 3.661 20 0 DHADLP CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368097883 1028299509 /nfs/dbraw/zinc/29/95/09/1028299509.db2.gz ACNRSOZQSVLCMJ-GOEBONIOSA-N 2 2 313.445 3.653 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101358 1028299934 /nfs/dbraw/zinc/29/99/34/1028299934.db2.gz SVGUJJZEDKDQSK-PWSUYJOCSA-N 2 2 318.490 3.680 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102126 1028300078 /nfs/dbraw/zinc/30/00/78/1028300078.db2.gz MMVOJDXQCSZEHJ-ACJLOTCBSA-N 2 2 320.440 3.724 20 0 DHADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1C[C@H]1c1ccccc1 ZINC000368262618 1028326000 /nfs/dbraw/zinc/32/60/00/1028326000.db2.gz ZLJCVMQNGKGVKJ-TUFLPTIASA-N 2 2 321.468 3.562 20 0 DHADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1C[C@H]1c1ccccc1 ZINC000368262618 1028326015 /nfs/dbraw/zinc/32/60/15/1028326015.db2.gz ZLJCVMQNGKGVKJ-TUFLPTIASA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1C[C@H]1c1ccccc1 ZINC000368262618 1028326029 /nfs/dbraw/zinc/32/60/29/1028326029.db2.gz ZLJCVMQNGKGVKJ-TUFLPTIASA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1C[C@H]1c1ccccc1 ZINC000368262618 1028326044 /nfs/dbraw/zinc/32/60/44/1028326044.db2.gz ZLJCVMQNGKGVKJ-TUFLPTIASA-N 2 2 321.468 3.562 20 0 DHADLP Cc1cccc(CC[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000449074907 1028338715 /nfs/dbraw/zinc/33/87/15/1028338715.db2.gz LREDJJKCKNHHFP-UHFFFAOYSA-N 2 2 305.425 3.572 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]4CCC[C@@H]43)sc2C1 ZINC000368617827 1028383444 /nfs/dbraw/zinc/38/34/44/1028383444.db2.gz SOAYTQJUDIPXPN-ZBFHGGJFSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]4CCC[C@@H]43)sc2C1 ZINC000368617827 1028383461 /nfs/dbraw/zinc/38/34/61/1028383461.db2.gz SOAYTQJUDIPXPN-ZBFHGGJFSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)sc2C1 ZINC000368617827 1028383483 /nfs/dbraw/zinc/38/34/83/1028383483.db2.gz SOAYTQJUDIPXPN-ZBFHGGJFSA-N 2 2 319.518 3.674 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449138789 1028395532 /nfs/dbraw/zinc/39/55/32/1028395532.db2.gz DJDZCPJKGSQBPH-TVRKMHQQSA-N 2 2 308.510 3.721 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449138789 1028395551 /nfs/dbraw/zinc/39/55/51/1028395551.db2.gz DJDZCPJKGSQBPH-TVRKMHQQSA-N 2 2 308.510 3.721 20 0 DHADLP COCC1CCC([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000449141902 1028399811 /nfs/dbraw/zinc/39/98/11/1028399811.db2.gz RMDGKYVGWWMYAZ-MUYFXNHWSA-N 2 2 318.505 3.911 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCC3CCCC3)[C@@H](C)C2)s1 ZINC000368972672 1028430952 /nfs/dbraw/zinc/43/09/52/1028430952.db2.gz HFURKXPSNCTCFE-KSSFIOAISA-N 2 2 321.534 3.832 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCC3CCCC3)[C@@H](C)C2)s1 ZINC000368972672 1028430959 /nfs/dbraw/zinc/43/09/59/1028430959.db2.gz HFURKXPSNCTCFE-KSSFIOAISA-N 2 2 321.534 3.832 20 0 DHADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000579651862 1028460312 /nfs/dbraw/zinc/46/03/12/1028460312.db2.gz ILSWJAJOJRTPEQ-QMTHXVAHSA-N 2 2 322.239 3.851 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449230357 1028469867 /nfs/dbraw/zinc/46/98/67/1028469867.db2.gz KANHTMLFPZTXCQ-OAHLLOKOSA-N 2 2 309.413 3.621 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449230357 1028469875 /nfs/dbraw/zinc/46/98/75/1028469875.db2.gz KANHTMLFPZTXCQ-OAHLLOKOSA-N 2 2 309.413 3.621 20 0 DHADLP CN(Cc1cn2c([nH+]1)CCCC2)c1cc[nH+]c2cc(F)ccc21 ZINC000369311755 1028472026 /nfs/dbraw/zinc/47/20/26/1028472026.db2.gz IOKLXLPZEVYLSM-UHFFFAOYSA-N 2 2 310.376 3.543 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)c2ccccc21 ZINC000564825905 1028507711 /nfs/dbraw/zinc/50/77/11/1028507711.db2.gz QAEBJRNBPBJCDT-RBUKOAKNSA-N 2 2 323.440 3.637 20 0 DHADLP CO[C@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000369794509 1028531853 /nfs/dbraw/zinc/53/18/53/1028531853.db2.gz GJGRVCWXMZUEGA-LJQANCHMSA-N 2 2 313.445 3.572 20 0 DHADLP CO[C@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000369794509 1028531861 /nfs/dbraw/zinc/53/18/61/1028531861.db2.gz GJGRVCWXMZUEGA-LJQANCHMSA-N 2 2 313.445 3.572 20 0 DHADLP Cc1cc(F)ccc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000815558599 1028541445 /nfs/dbraw/zinc/54/14/45/1028541445.db2.gz IKWDGGVUSOYBER-AWEZNQCLSA-N 2 2 301.409 3.560 20 0 DHADLP Cc1cccc(CC[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000449331395 1028543250 /nfs/dbraw/zinc/54/32/50/1028543250.db2.gz OMCBUUXEBDNBSH-UHFFFAOYSA-N 2 2 312.457 3.727 20 0 DHADLP Cc1cccc(CC[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000449331395 1028543257 /nfs/dbraw/zinc/54/32/57/1028543257.db2.gz OMCBUUXEBDNBSH-UHFFFAOYSA-N 2 2 312.457 3.727 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccs1 ZINC000370630759 1028625382 /nfs/dbraw/zinc/62/53/82/1028625382.db2.gz XMCCOJMOFCYQED-DOTOQJQBSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccs1 ZINC000370630759 1028625396 /nfs/dbraw/zinc/62/53/96/1028625396.db2.gz XMCCOJMOFCYQED-DOTOQJQBSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCCn1cc[nH+]c1 ZINC000566672516 1028765536 /nfs/dbraw/zinc/76/55/36/1028765536.db2.gz ZTSCPBFAHMGYMF-CYBMUJFWSA-N 2 2 309.816 3.677 20 0 DHADLP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000372047334 1028796388 /nfs/dbraw/zinc/79/63/88/1028796388.db2.gz XRUUQBXVTWVBMT-LESCRADOSA-N 2 2 324.896 3.738 20 0 DHADLP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000372047334 1028796399 /nfs/dbraw/zinc/79/63/99/1028796399.db2.gz XRUUQBXVTWVBMT-LESCRADOSA-N 2 2 324.896 3.738 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000449572695 1028817237 /nfs/dbraw/zinc/81/72/37/1028817237.db2.gz NYJQKFYGKDKEOP-GLJUWKHASA-N 2 2 321.428 3.734 20 0 DHADLP Cc1nc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000628217706 1028946960 /nfs/dbraw/zinc/94/69/60/1028946960.db2.gz HNFLFTNVUAZSMT-PBHICJAKSA-N 2 2 319.474 3.526 20 0 DHADLP Cc1nc(C)c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000628217706 1028946972 /nfs/dbraw/zinc/94/69/72/1028946972.db2.gz HNFLFTNVUAZSMT-PBHICJAKSA-N 2 2 319.474 3.526 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000449765499 1028981685 /nfs/dbraw/zinc/98/16/85/1028981685.db2.gz IRSZWMHKVFJOJG-YESZJQIVSA-N 2 2 301.478 3.855 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281082 1028986947 /nfs/dbraw/zinc/98/69/47/1028986947.db2.gz ZPJZPQHBZQIPNT-QWHCGFSZSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281082 1028986957 /nfs/dbraw/zinc/98/69/57/1028986957.db2.gz ZPJZPQHBZQIPNT-QWHCGFSZSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281082 1028986974 /nfs/dbraw/zinc/98/69/74/1028986974.db2.gz ZPJZPQHBZQIPNT-QWHCGFSZSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281082 1028986987 /nfs/dbraw/zinc/98/69/87/1028986987.db2.gz ZPJZPQHBZQIPNT-QWHCGFSZSA-N 2 2 318.408 3.683 20 0 DHADLP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000568380481 1029056552 /nfs/dbraw/zinc/05/65/52/1029056552.db2.gz MKWQIADWPQNEAO-QAPCUYQASA-N 2 2 304.453 3.753 20 0 DHADLP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000568380481 1029056580 /nfs/dbraw/zinc/05/65/80/1029056580.db2.gz MKWQIADWPQNEAO-QAPCUYQASA-N 2 2 304.453 3.753 20 0 DHADLP Cc1cncc(C[NH+]2CCC[C@@H]([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000373663087 1029108782 /nfs/dbraw/zinc/10/87/82/1029108782.db2.gz OETLCATZASJESP-OAQYLSRUSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1cncc(C[NH+]2CCC[C@@H]([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000373663087 1029108789 /nfs/dbraw/zinc/10/87/89/1029108789.db2.gz OETLCATZASJESP-OAQYLSRUSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1cncc(C[N@H+]2CCC[C@@H]([NH+](C)Cc3ccccc3)CC2)c1 ZINC000373663087 1029108793 /nfs/dbraw/zinc/10/87/93/1029108793.db2.gz OETLCATZASJESP-OAQYLSRUSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1cncc(C[N@@H+]2CCC[C@@H]([NH+](C)Cc3ccccc3)CC2)c1 ZINC000373663087 1029108797 /nfs/dbraw/zinc/10/87/97/1029108797.db2.gz OETLCATZASJESP-OAQYLSRUSA-N 2 2 323.484 3.877 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCSCc3ccccc3)C2)[nH]1 ZINC000373757786 1029127498 /nfs/dbraw/zinc/12/74/98/1029127498.db2.gz NXPHRNJCTGBSKU-MRXNPFEDSA-N 2 2 301.459 3.523 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCSCc3ccccc3)C2)[nH]1 ZINC000373757786 1029127505 /nfs/dbraw/zinc/12/75/05/1029127505.db2.gz NXPHRNJCTGBSKU-MRXNPFEDSA-N 2 2 301.459 3.523 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(SC(F)F)cc1 ZINC000817950713 1029291620 /nfs/dbraw/zinc/29/16/20/1029291620.db2.gz XLMFPOAUFMFQBH-DGCLKSJQSA-N 2 2 300.418 3.794 20 0 DHADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817984062 1029324363 /nfs/dbraw/zinc/32/43/63/1029324363.db2.gz MKOHKQHDTQVWLG-AAEUAGOBSA-N 2 2 300.418 3.794 20 0 DHADLP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450362139 1029403260 /nfs/dbraw/zinc/40/32/60/1029403260.db2.gz QLDDQDMHVOVOLT-LBPRGKRZSA-N 2 2 321.827 3.805 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450362139 1029403268 /nfs/dbraw/zinc/40/32/68/1029403268.db2.gz QLDDQDMHVOVOLT-LBPRGKRZSA-N 2 2 321.827 3.805 20 0 DHADLP C[C@@H]1C[C@@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC[N@@H+]1C ZINC000450353925 1029411517 /nfs/dbraw/zinc/41/15/17/1029411517.db2.gz HZLFWLJUDPTFNP-RISCZKNCSA-N 2 2 323.362 4.148 20 0 DHADLP C[C@@H]1C[C@@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC[N@H+]1C ZINC000450353925 1029411529 /nfs/dbraw/zinc/41/15/29/1029411529.db2.gz HZLFWLJUDPTFNP-RISCZKNCSA-N 2 2 323.362 4.148 20 0 DHADLP CCC(CC)(CC)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000374684755 1029431403 /nfs/dbraw/zinc/43/14/03/1029431403.db2.gz XCOITMJROQJRRK-WMZOPIPTSA-N 2 2 320.525 3.609 20 0 DHADLP CCC(CC)(CC)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000374684755 1029431404 /nfs/dbraw/zinc/43/14/04/1029431404.db2.gz XCOITMJROQJRRK-WMZOPIPTSA-N 2 2 320.525 3.609 20 0 DHADLP C[NH+](C)Cc1cccc(-c2ccc([C@@H]3CC(=O)CC[N@@H+]3C)cc2)c1 ZINC000629707738 1029431582 /nfs/dbraw/zinc/43/15/82/1029431582.db2.gz YASCAUWEBXMYFH-NRFANRHFSA-N 2 2 322.452 3.751 20 0 DHADLP C[NH+](C)Cc1cccc(-c2ccc([C@@H]3CC(=O)CC[N@H+]3C)cc2)c1 ZINC000629707738 1029431589 /nfs/dbraw/zinc/43/15/89/1029431589.db2.gz YASCAUWEBXMYFH-NRFANRHFSA-N 2 2 322.452 3.751 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(-c2ccncc2)c1 ZINC000530223504 1029782659 /nfs/dbraw/zinc/78/26/59/1029782659.db2.gz SQKYLRJGCNWDPJ-KXBFYZLASA-N 2 2 307.441 3.684 20 0 DHADLP COc1c(C)cc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530217391 1029785092 /nfs/dbraw/zinc/78/50/92/1029785092.db2.gz SRPZERGJZDPGFM-WFASDCNBSA-N 2 2 308.853 3.592 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000530387056 1029833012 /nfs/dbraw/zinc/83/30/12/1029833012.db2.gz FPSQCKPFJCGALK-SFHVURJKSA-N 2 2 313.445 3.684 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290185722 1029937168 /nfs/dbraw/zinc/93/71/68/1029937168.db2.gz FRPMTRBQNVEWJM-WBVHZDCISA-N 2 2 319.408 3.699 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377279 1030022733 /nfs/dbraw/zinc/02/27/33/1030022733.db2.gz HWFGSAINXRSUKY-ABAIWWIYSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377279 1030022759 /nfs/dbraw/zinc/02/27/59/1030022759.db2.gz HWFGSAINXRSUKY-ABAIWWIYSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377279 1030022772 /nfs/dbraw/zinc/02/27/72/1030022772.db2.gz HWFGSAINXRSUKY-ABAIWWIYSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377279 1030022784 /nfs/dbraw/zinc/02/27/84/1030022784.db2.gz HWFGSAINXRSUKY-ABAIWWIYSA-N 2 2 318.358 3.617 20 0 DHADLP CC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000865789010 1030028515 /nfs/dbraw/zinc/02/85/15/1030028515.db2.gz MMZCYNRCYIHOIW-UHFFFAOYSA-N 2 2 316.358 3.674 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643642 1030137208 /nfs/dbraw/zinc/13/72/08/1030137208.db2.gz YPMKXUQWGMWQOV-FZMZJTMJSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643642 1030137215 /nfs/dbraw/zinc/13/72/15/1030137215.db2.gz YPMKXUQWGMWQOV-FZMZJTMJSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643642 1030137224 /nfs/dbraw/zinc/13/72/24/1030137224.db2.gz YPMKXUQWGMWQOV-FZMZJTMJSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643642 1030137233 /nfs/dbraw/zinc/13/72/33/1030137233.db2.gz YPMKXUQWGMWQOV-FZMZJTMJSA-N 2 2 318.433 3.507 20 0 DHADLP CCSc1ccccc1C[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000924647077 1030149942 /nfs/dbraw/zinc/14/99/42/1030149942.db2.gz CPNDOYNHNINPHO-LSDHHAIUSA-N 2 2 303.475 3.604 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866220455 1030166481 /nfs/dbraw/zinc/16/64/81/1030166481.db2.gz GJCOOTPTWALPBA-LLVKDONJSA-N 2 2 319.836 3.759 20 0 DHADLP CCc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)c2cccnc2)cc1 ZINC000924704727 1030166622 /nfs/dbraw/zinc/16/66/22/1030166622.db2.gz HSKZKNQMINLDIT-WIYYLYMNSA-N 2 2 323.484 3.665 20 0 DHADLP CCc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)c2cccnc2)cc1 ZINC000924704727 1030166630 /nfs/dbraw/zinc/16/66/30/1030166630.db2.gz HSKZKNQMINLDIT-WIYYLYMNSA-N 2 2 323.484 3.665 20 0 DHADLP Cc1cccc([C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)c2ccccn2)c1 ZINC000924712193 1030169033 /nfs/dbraw/zinc/16/90/33/1030169033.db2.gz AHCTVWFVGDLTCN-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2c(ccnc2Cl)o1 ZINC000866238582 1030173516 /nfs/dbraw/zinc/17/35/16/1030173516.db2.gz PWOHFAKHGBSQHH-LBPRGKRZSA-N 2 2 318.808 3.809 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccn1 ZINC000245884775 1030174604 /nfs/dbraw/zinc/17/46/04/1030174604.db2.gz IQWICDNRGVDTLU-HDMKZQKVSA-N 2 2 315.486 3.877 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccn1 ZINC000245884775 1030174609 /nfs/dbraw/zinc/17/46/09/1030174609.db2.gz IQWICDNRGVDTLU-HDMKZQKVSA-N 2 2 315.486 3.877 20 0 DHADLP COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000866244092 1030175959 /nfs/dbraw/zinc/17/59/59/1030175959.db2.gz XWSODKDNNIHYFQ-HXUWFJFHSA-N 2 2 319.408 3.658 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000245988717 1030233215 /nfs/dbraw/zinc/23/32/15/1030233215.db2.gz CUBJYTQYUWCFIA-LSDHHAIUSA-N 2 2 318.358 3.893 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000245988717 1030233232 /nfs/dbraw/zinc/23/32/32/1030233232.db2.gz CUBJYTQYUWCFIA-LSDHHAIUSA-N 2 2 318.358 3.893 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCc3cccc4cccc1c43)C2 ZINC000866360802 1030252456 /nfs/dbraw/zinc/25/24/56/1030252456.db2.gz GFWJPXDDIJTVQZ-NVXWUHKLSA-N 2 2 303.409 3.697 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000925142584 1030284536 /nfs/dbraw/zinc/28/45/36/1030284536.db2.gz OULSYYGEWCSGHR-WDSOQIARSA-N 2 2 312.457 3.944 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000925142584 1030284542 /nfs/dbraw/zinc/28/45/42/1030284542.db2.gz OULSYYGEWCSGHR-WDSOQIARSA-N 2 2 312.457 3.944 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(O)cc(F)c1 ZINC000925220470 1030307936 /nfs/dbraw/zinc/30/79/36/1030307936.db2.gz KANAYCFTEUCIAU-ZDUSSCGKSA-N 2 2 306.425 3.589 20 0 DHADLP Clc1ccnc2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000925219461 1030308937 /nfs/dbraw/zinc/30/89/37/1030308937.db2.gz DUKFCFVPTNFCKO-KRWDZBQOSA-N 2 2 319.880 3.719 20 0 DHADLP Cc1ccc([C@H]([NH2+]C2CC[NH+](C(C)C)CC2)c2cccnc2)cc1 ZINC000925302487 1030339095 /nfs/dbraw/zinc/33/90/95/1030339095.db2.gz DNQJHFSJCGVUFP-NRFANRHFSA-N 2 2 323.484 3.942 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2[C@H](C)CC[C@@H]2C)CC1 ZINC000925594170 1030413779 /nfs/dbraw/zinc/41/37/79/1030413779.db2.gz PCPCJECGORSJTM-CYJAXWMASA-N 2 2 301.478 3.631 20 0 DHADLP [NH3+]CCC[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1 ZINC000925593380 1030413822 /nfs/dbraw/zinc/41/38/22/1030413822.db2.gz FZIZKIQEJYUDKL-IBGZPJMESA-N 2 2 324.472 3.964 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925594162 1030414893 /nfs/dbraw/zinc/41/48/93/1030414893.db2.gz PBOVWQLWNMXCDN-HNAWSFBYSA-N 2 2 311.473 3.551 20 0 DHADLP [NH3+]CCC[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000925599660 1030417519 /nfs/dbraw/zinc/41/75/19/1030417519.db2.gz BJNRLGCPPHTDSH-GOSISDBHSA-N 2 2 310.445 3.574 20 0 DHADLP CC(C)(C)c1csc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866708059 1030427852 /nfs/dbraw/zinc/42/78/52/1030427852.db2.gz PJZAZSALZNJRGU-QGZVFWFLSA-N 2 2 309.523 3.638 20 0 DHADLP CC(C)(C)c1csc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)n1 ZINC000866708059 1030427858 /nfs/dbraw/zinc/42/78/58/1030427858.db2.gz PJZAZSALZNJRGU-QGZVFWFLSA-N 2 2 309.523 3.638 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708532 1030428043 /nfs/dbraw/zinc/42/80/43/1030428043.db2.gz RCHSFDATQUFPRQ-ACJLOTCBSA-N 2 2 307.482 3.730 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708532 1030428049 /nfs/dbraw/zinc/42/80/49/1030428049.db2.gz RCHSFDATQUFPRQ-ACJLOTCBSA-N 2 2 307.482 3.730 20 0 DHADLP C[C@@H]1CC[C@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2sccc21 ZINC000925750661 1030480693 /nfs/dbraw/zinc/48/06/93/1030480693.db2.gz UGVSHZQDJFGDSM-MFKMUULPSA-N 2 2 319.499 3.660 20 0 DHADLP C[C@@H]1CC[C@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2sccc21 ZINC000925750661 1030480698 /nfs/dbraw/zinc/48/06/98/1030480698.db2.gz UGVSHZQDJFGDSM-MFKMUULPSA-N 2 2 319.499 3.660 20 0 DHADLP Clc1cccc2c1CC[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001171049484 1030483136 /nfs/dbraw/zinc/48/31/36/1030483136.db2.gz JPPIMFFMCIIDBW-MRXNPFEDSA-N 2 2 315.848 3.731 20 0 DHADLP Clc1cccc2c1CC[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001171048628 1030486439 /nfs/dbraw/zinc/48/64/39/1030486439.db2.gz CBXAYSFEZJEGDE-CABCVRRESA-N 2 2 315.848 3.734 20 0 DHADLP Clc1cscc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925769482 1030487917 /nfs/dbraw/zinc/48/79/17/1030487917.db2.gz DVOHWZSNDJFDGU-GDBMZVCRSA-N 2 2 306.862 3.984 20 0 DHADLP C[C@H]([NH2+]Cc1cc(N)cc[nH+]1)[C@H](C)c1nc2ccccc2s1 ZINC000925771953 1030490197 /nfs/dbraw/zinc/49/01/97/1030490197.db2.gz PJHSQKRPJLVJAI-RYUDHWBXSA-N 2 2 312.442 3.555 20 0 DHADLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2ccccc2c1 ZINC000925795774 1030501430 /nfs/dbraw/zinc/50/14/30/1030501430.db2.gz PVUWGIFHXFQJMO-OXJNMPFZSA-N 2 2 324.468 3.649 20 0 DHADLP CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000358504466 1030518940 /nfs/dbraw/zinc/51/89/40/1030518940.db2.gz GPXAFXKOGWXAPP-OAHLLOKOSA-N 2 2 306.413 3.681 20 0 DHADLP Cc1ncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000072966210 1030589002 /nfs/dbraw/zinc/58/90/02/1030589002.db2.gz URXWYTNSJNMMKG-GOEBONIOSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000072966210 1030589011 /nfs/dbraw/zinc/58/90/11/1030589011.db2.gz URXWYTNSJNMMKG-GOEBONIOSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000072966210 1030589025 /nfs/dbraw/zinc/58/90/25/1030589025.db2.gz URXWYTNSJNMMKG-GOEBONIOSA-N 2 2 307.507 3.538 20 0 DHADLP Cc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000072966210 1030589040 /nfs/dbraw/zinc/58/90/40/1030589040.db2.gz URXWYTNSJNMMKG-GOEBONIOSA-N 2 2 307.507 3.538 20 0 DHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000358820976 1030639338 /nfs/dbraw/zinc/63/93/38/1030639338.db2.gz VAOXBELURMGJMH-OAHLLOKOSA-N 2 2 315.486 3.570 20 0 DHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000358820976 1030639347 /nfs/dbraw/zinc/63/93/47/1030639347.db2.gz VAOXBELURMGJMH-OAHLLOKOSA-N 2 2 315.486 3.570 20 0 DHADLP CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000291822893 1030658134 /nfs/dbraw/zinc/65/81/34/1030658134.db2.gz DRBOVGGYLZTDGZ-ZDUSSCGKSA-N 2 2 324.428 3.890 20 0 DHADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000926216372 1030660260 /nfs/dbraw/zinc/66/02/60/1030660260.db2.gz IYYMDDOADPTXFS-UWJYYQICSA-N 2 2 323.484 3.513 20 0 DHADLP C[C@@H](Cc1ccccn1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000926216372 1030660267 /nfs/dbraw/zinc/66/02/67/1030660267.db2.gz IYYMDDOADPTXFS-UWJYYQICSA-N 2 2 323.484 3.513 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1csc(C(F)(F)F)c1 ZINC000926230591 1030666498 /nfs/dbraw/zinc/66/64/98/1030666498.db2.gz VZQJHUJAXDYUIB-GXSJLCMTSA-N 2 2 315.364 3.629 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000247108139 1030676442 /nfs/dbraw/zinc/67/64/42/1030676442.db2.gz LEMYFESSHSXMFT-HOCLYGCPSA-N 2 2 315.486 3.918 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000247108139 1030676447 /nfs/dbraw/zinc/67/64/47/1030676447.db2.gz LEMYFESSHSXMFT-HOCLYGCPSA-N 2 2 315.486 3.918 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000247108139 1030676450 /nfs/dbraw/zinc/67/64/50/1030676450.db2.gz LEMYFESSHSXMFT-HOCLYGCPSA-N 2 2 315.486 3.918 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000247108139 1030676454 /nfs/dbraw/zinc/67/64/54/1030676454.db2.gz LEMYFESSHSXMFT-HOCLYGCPSA-N 2 2 315.486 3.918 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247211383 1030679621 /nfs/dbraw/zinc/67/96/21/1030679621.db2.gz XAAJEJAPLJCZNX-HNJRGHQBSA-N 2 2 315.505 3.850 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247211383 1030679627 /nfs/dbraw/zinc/67/96/27/1030679627.db2.gz XAAJEJAPLJCZNX-HNJRGHQBSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247148258 1030679867 /nfs/dbraw/zinc/67/98/67/1030679867.db2.gz WSFINGIRNKLWBQ-DSJDWBEOSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247148258 1030679871 /nfs/dbraw/zinc/67/98/71/1030679871.db2.gz WSFINGIRNKLWBQ-DSJDWBEOSA-N 2 2 315.505 3.706 20 0 DHADLP Clc1ccnc2c1CCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000926337043 1030703335 /nfs/dbraw/zinc/70/33/35/1030703335.db2.gz KHGGRFGVYDKUJX-MQBCKMQZSA-N 2 2 319.880 3.719 20 0 DHADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247998854 1030712516 /nfs/dbraw/zinc/71/25/16/1030712516.db2.gz KEDYIQZQNKXVMV-LQWHRVPQSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247998854 1030712531 /nfs/dbraw/zinc/71/25/31/1030712531.db2.gz KEDYIQZQNKXVMV-LQWHRVPQSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247998859 1030714278 /nfs/dbraw/zinc/71/42/78/1030714278.db2.gz KEDYIQZQNKXVMV-LVCYWYKZSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247998859 1030714291 /nfs/dbraw/zinc/71/42/91/1030714291.db2.gz KEDYIQZQNKXVMV-LVCYWYKZSA-N 2 2 323.484 3.951 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccs1 ZINC000248050861 1030714603 /nfs/dbraw/zinc/71/46/03/1030714603.db2.gz WHEIIJFJVITWBT-YQQAZPJKSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccs1 ZINC000248050861 1030714613 /nfs/dbraw/zinc/71/46/13/1030714613.db2.gz WHEIIJFJVITWBT-YQQAZPJKSA-N 2 2 315.486 3.704 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000248052222 1030716735 /nfs/dbraw/zinc/71/67/35/1030716735.db2.gz WQSGENFARVBWET-RDJZCZTQSA-N 2 2 300.446 3.507 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000248052222 1030716749 /nfs/dbraw/zinc/71/67/49/1030716749.db2.gz WQSGENFARVBWET-RDJZCZTQSA-N 2 2 300.446 3.507 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccs1 ZINC000248050860 1030717037 /nfs/dbraw/zinc/71/70/37/1030717037.db2.gz WHEIIJFJVITWBT-HLLBOEOZSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccs1 ZINC000248050860 1030717050 /nfs/dbraw/zinc/71/70/50/1030717050.db2.gz WHEIIJFJVITWBT-HLLBOEOZSA-N 2 2 315.486 3.704 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc2ccccc21 ZINC000926450393 1030745369 /nfs/dbraw/zinc/74/53/69/1030745369.db2.gz MEZQQTRKOQTVAS-BBRMVZONSA-N 2 2 321.424 3.780 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000359064868 1030758107 /nfs/dbraw/zinc/75/81/07/1030758107.db2.gz BYJLAOVWLKRXRX-RDJZCZTQSA-N 2 2 315.505 3.564 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000359064868 1030758121 /nfs/dbraw/zinc/75/81/21/1030758121.db2.gz BYJLAOVWLKRXRX-RDJZCZTQSA-N 2 2 315.505 3.564 20 0 DHADLP c1csc([C@@H]2C[C@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CCO2)c1 ZINC000926538663 1030786611 /nfs/dbraw/zinc/78/66/11/1030786611.db2.gz SWVPGGDGWAVTQD-TWMKSMIVSA-N 2 2 320.502 3.575 20 0 DHADLP c1csc([C@@H]2C[C@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CCO2)c1 ZINC000926538663 1030786619 /nfs/dbraw/zinc/78/66/19/1030786619.db2.gz SWVPGGDGWAVTQD-TWMKSMIVSA-N 2 2 320.502 3.575 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccc3c(c2)COC3)C2CCCC2)CC1 ZINC001137030883 1030799989 /nfs/dbraw/zinc/79/99/89/1030799989.db2.gz RBDNUYYZCMMMMY-UHFFFAOYSA-N 2 2 314.473 3.556 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccc3c(c2)COC3)C2CCCC2)CC1 ZINC001137030883 1030800006 /nfs/dbraw/zinc/80/00/06/1030800006.db2.gz RBDNUYYZCMMMMY-UHFFFAOYSA-N 2 2 314.473 3.556 20 0 DHADLP C[N@@H+]1CCC[C@]2(CCN(c3cc[nH+]c4c(Cl)cccc34)C2)C1 ZINC000558950632 1030962134 /nfs/dbraw/zinc/96/21/34/1030962134.db2.gz FBTZHUUGDNGSHZ-SFHVURJKSA-N 2 2 315.848 3.810 20 0 DHADLP C[N@H+]1CCC[C@]2(CCN(c3cc[nH+]c4c(Cl)cccc34)C2)C1 ZINC000558950632 1030962143 /nfs/dbraw/zinc/96/21/43/1030962143.db2.gz FBTZHUUGDNGSHZ-SFHVURJKSA-N 2 2 315.848 3.810 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(OC(F)F)cc1 ZINC000359578809 1031041954 /nfs/dbraw/zinc/04/19/54/1031041954.db2.gz CFSPRZHSEIAYRW-GOEBONIOSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(OC(F)F)cc1 ZINC000359578809 1031041965 /nfs/dbraw/zinc/04/19/65/1031041965.db2.gz CFSPRZHSEIAYRW-GOEBONIOSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(OC(F)F)cc1 ZINC000359578812 1031044062 /nfs/dbraw/zinc/04/40/62/1031044062.db2.gz CFSPRZHSEIAYRW-ZBFHGGJFSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(OC(F)F)cc1 ZINC000359578812 1031044075 /nfs/dbraw/zinc/04/40/75/1031044075.db2.gz CFSPRZHSEIAYRW-ZBFHGGJFSA-N 2 2 312.404 3.813 20 0 DHADLP Cc1c(C[N@@H+](C)C2CC[NH+](C)CC2)cccc1C(F)(F)F ZINC001143917764 1031080774 /nfs/dbraw/zinc/08/07/74/1031080774.db2.gz OYSGZIIMLHHPGC-UHFFFAOYSA-N 2 2 300.368 3.540 20 0 DHADLP Cc1c(C[N@H+](C)C2CC[NH+](C)CC2)cccc1C(F)(F)F ZINC001143917764 1031080790 /nfs/dbraw/zinc/08/07/90/1031080790.db2.gz OYSGZIIMLHHPGC-UHFFFAOYSA-N 2 2 300.368 3.540 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cn1 ZINC000359679008 1031092480 /nfs/dbraw/zinc/09/24/80/1031092480.db2.gz QRSMTOPAMHCVET-ZDUSSCGKSA-N 2 2 312.804 3.772 20 0 DHADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1C ZINC000927111431 1031092883 /nfs/dbraw/zinc/09/28/83/1031092883.db2.gz ZGWKLZGLKFAXCU-HKUYNNGSSA-N 2 2 316.489 3.516 20 0 DHADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1C ZINC000927111431 1031092894 /nfs/dbraw/zinc/09/28/94/1031092894.db2.gz ZGWKLZGLKFAXCU-HKUYNNGSSA-N 2 2 316.489 3.516 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC=CCC1 ZINC000927122347 1031106504 /nfs/dbraw/zinc/10/65/04/1031106504.db2.gz GNMOEMGYRIYJBB-FXAWDEMLSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCC=CCC1 ZINC000927122347 1031106509 /nfs/dbraw/zinc/10/65/09/1031106509.db2.gz GNMOEMGYRIYJBB-FXAWDEMLSA-N 2 2 313.489 3.628 20 0 DHADLP CCc1onc(C)c1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000927130599 1031109771 /nfs/dbraw/zinc/10/97/71/1031109771.db2.gz DUMMUDMCALUARU-ZDUSSCGKSA-N 2 2 310.401 3.582 20 0 DHADLP Cc1c(O)cccc1C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001144109432 1031248815 /nfs/dbraw/zinc/24/88/15/1031248815.db2.gz BTVXNKAKCWMSBQ-UHFFFAOYSA-N 2 2 314.473 3.541 20 0 DHADLP Cc1c(O)cccc1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001144109432 1031248828 /nfs/dbraw/zinc/24/88/28/1031248828.db2.gz BTVXNKAKCWMSBQ-UHFFFAOYSA-N 2 2 314.473 3.541 20 0 DHADLP CC[C@H](C[NH2+][C@H]1CCCc2ccc(OC)cc21)[NH+]1CCCC1 ZINC000360065028 1031260836 /nfs/dbraw/zinc/26/08/36/1031260836.db2.gz YAMNFFAFBXTTDQ-APWZRJJASA-N 2 2 302.462 3.537 20 0 DHADLP c1ccn(-c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2)c1 ZINC001144245843 1031378469 /nfs/dbraw/zinc/37/84/69/1031378469.db2.gz IQHSOQIGHVSVIO-UHFFFAOYSA-N 2 2 306.413 3.511 20 0 DHADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCCOC1 ZINC000872039525 1031424014 /nfs/dbraw/zinc/42/40/14/1031424014.db2.gz GKNMNSWHDSADSG-SUMDDJOVSA-N 2 2 313.445 3.728 20 0 DHADLP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000536841885 1031451145 /nfs/dbraw/zinc/45/11/45/1031451145.db2.gz ZGNCYEBYPXWHOL-FRQCXROJSA-N 2 2 301.478 3.775 20 0 DHADLP CC1(C)C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2S1 ZINC000872062911 1031459386 /nfs/dbraw/zinc/45/93/86/1031459386.db2.gz LPOXBFXPRQUAOL-HIFRSBDPSA-N 2 2 313.470 3.803 20 0 DHADLP Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000360588125 1031481741 /nfs/dbraw/zinc/48/17/41/1031481741.db2.gz HGCBXGNJODHELE-SFHVURJKSA-N 2 2 307.372 3.789 20 0 DHADLP COCC(C)(C)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000872105139 1031496579 /nfs/dbraw/zinc/49/65/79/1031496579.db2.gz AWMOAKNQNTZXCU-HNNXBMFYSA-N 2 2 301.434 3.586 20 0 DHADLP Cc1cc(N2CCC(C)([NH+]3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000872662810 1031640764 /nfs/dbraw/zinc/64/07/64/1031640764.db2.gz CVABNYVOWFXNRV-UHFFFAOYSA-N 2 2 314.477 3.507 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCc1ccsc1)CCC2 ZINC000360966986 1031650035 /nfs/dbraw/zinc/65/00/35/1031650035.db2.gz SXVMNJABPKAVBY-CJNGLKHVSA-N 2 2 303.475 3.741 20 0 DHADLP CCSc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929992014 1031668534 /nfs/dbraw/zinc/66/85/34/1031668534.db2.gz LYRDVGCAHZQPKH-HNNXBMFYSA-N 2 2 301.459 3.901 20 0 DHADLP CCSc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929992014 1031668543 /nfs/dbraw/zinc/66/85/43/1031668543.db2.gz LYRDVGCAHZQPKH-HNNXBMFYSA-N 2 2 301.459 3.901 20 0 DHADLP Clc1cnccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361054478 1031699814 /nfs/dbraw/zinc/69/98/14/1031699814.db2.gz BWVORNYJNSRVOV-UHFFFAOYSA-N 2 2 318.852 3.624 20 0 DHADLP FC1(F)CC[C@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000898019440 1031920441 /nfs/dbraw/zinc/92/04/41/1031920441.db2.gz MBMNWQLMODEZPD-CQSZACIVSA-N 2 2 305.372 3.787 20 0 DHADLP Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)on1 ZINC000361688486 1032052919 /nfs/dbraw/zinc/05/29/19/1032052919.db2.gz ATGAAEJTUJUBLA-SFHVURJKSA-N 2 2 322.412 3.814 20 0 DHADLP Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)on1 ZINC000361688486 1032052938 /nfs/dbraw/zinc/05/29/38/1032052938.db2.gz ATGAAEJTUJUBLA-SFHVURJKSA-N 2 2 322.412 3.814 20 0 DHADLP CO[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000338315284 1033319767 /nfs/dbraw/zinc/31/97/67/1033319767.db2.gz JYLOYPNSISFVCS-MRXNPFEDSA-N 2 2 319.836 3.630 20 0 DHADLP CSC(C)(C)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000877498419 1033325490 /nfs/dbraw/zinc/32/54/90/1033325490.db2.gz PJEAZSCCBLNCBT-HNNXBMFYSA-N 2 2 321.534 3.931 20 0 DHADLP CSC(C)(C)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000877498419 1033325499 /nfs/dbraw/zinc/32/54/99/1033325499.db2.gz PJEAZSCCBLNCBT-HNNXBMFYSA-N 2 2 321.534 3.931 20 0 DHADLP c1c2ccccc2oc1[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccnc1 ZINC000643522700 1033341468 /nfs/dbraw/zinc/34/14/68/1033341468.db2.gz RZDISQBVQFUYBK-PXNSSMCTSA-N 2 2 321.424 3.649 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172865260 1033406566 /nfs/dbraw/zinc/40/65/66/1033406566.db2.gz KZZSSQQEPFYEJX-GFCCVEGCSA-N 2 2 317.795 3.848 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172865263 1033407231 /nfs/dbraw/zinc/40/72/31/1033407231.db2.gz KZZSSQQEPFYEJX-LBPRGKRZSA-N 2 2 317.795 3.848 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H](C)c1nc2ccccc2s1 ZINC000151132329 1033420228 /nfs/dbraw/zinc/42/02/28/1033420228.db2.gz XUGKKRMSWJDGLQ-KBPBESRZSA-N 2 2 314.458 3.665 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCOc1cc[nH+]cc1 ZINC001172871411 1033443630 /nfs/dbraw/zinc/44/36/30/1033443630.db2.gz BSYSRZBLDYFIHD-CYBMUJFWSA-N 2 2 322.861 3.884 20 0 DHADLP CO[C@H]1CCC[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172929652 1033474997 /nfs/dbraw/zinc/47/49/97/1033474997.db2.gz GFTOJTUDBASQOY-PMACEKPBSA-N 2 2 316.489 3.540 20 0 DHADLP CO[C@H]1CCC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172929652 1033475007 /nfs/dbraw/zinc/47/50/07/1033475007.db2.gz GFTOJTUDBASQOY-PMACEKPBSA-N 2 2 316.489 3.540 20 0 DHADLP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000152263244 1033512510 /nfs/dbraw/zinc/51/25/10/1033512510.db2.gz LTORNPVAJUJTFW-OAHLLOKOSA-N 2 2 309.417 3.501 20 0 DHADLP c1ccc(OC2CCC([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC001173199128 1033589660 /nfs/dbraw/zinc/58/96/60/1033589660.db2.gz UHHBOBDWNWBCKZ-GNZRSQJKSA-N 2 2 314.473 3.593 20 0 DHADLP c1ccc(OC2CCC([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CC2)cc1 ZINC001173199128 1033589668 /nfs/dbraw/zinc/58/96/68/1033589668.db2.gz UHHBOBDWNWBCKZ-GNZRSQJKSA-N 2 2 314.473 3.593 20 0 DHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235293 1033633047 /nfs/dbraw/zinc/63/30/47/1033633047.db2.gz NDNTTZQOCVSTIJ-XMTFNYHQSA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235293 1033633053 /nfs/dbraw/zinc/63/30/53/1033633053.db2.gz NDNTTZQOCVSTIJ-XMTFNYHQSA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235293 1033633059 /nfs/dbraw/zinc/63/30/59/1033633059.db2.gz NDNTTZQOCVSTIJ-XMTFNYHQSA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235293 1033633062 /nfs/dbraw/zinc/63/30/62/1033633062.db2.gz NDNTTZQOCVSTIJ-XMTFNYHQSA-N 2 2 322.537 3.917 20 0 DHADLP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC001173263201 1033636144 /nfs/dbraw/zinc/63/61/44/1033636144.db2.gz GWGZOWXBTGJOPG-APWZRJJASA-N 2 2 316.489 3.828 20 0 DHADLP CCSC[C@@H](C)[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001173293657 1033650370 /nfs/dbraw/zinc/65/03/70/1033650370.db2.gz BXUSNZFBVHOTHC-OAHLLOKOSA-N 2 2 324.509 3.830 20 0 DHADLP CCSC[C@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001173313246 1033660185 /nfs/dbraw/zinc/66/01/85/1033660185.db2.gz AACGCBWOPJLJAH-HNNXBMFYSA-N 2 2 324.509 3.864 20 0 DHADLP CCSC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001173313246 1033660191 /nfs/dbraw/zinc/66/01/91/1033660191.db2.gz AACGCBWOPJLJAH-HNNXBMFYSA-N 2 2 324.509 3.864 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000479430456 1033760243 /nfs/dbraw/zinc/76/02/43/1033760243.db2.gz XOTFPTFCTPCHLG-ZFWWWQNUSA-N 2 2 308.416 3.502 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000479430456 1033760254 /nfs/dbraw/zinc/76/02/54/1033760254.db2.gz XOTFPTFCTPCHLG-ZFWWWQNUSA-N 2 2 308.416 3.502 20 0 DHADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCn1cc[nH+]c1 ZINC001173542825 1033761506 /nfs/dbraw/zinc/76/15/06/1033761506.db2.gz JBPOPADQYTVIJT-LBPRGKRZSA-N 2 2 312.244 3.801 20 0 DHADLP CCc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000339036443 1033835195 /nfs/dbraw/zinc/83/51/95/1033835195.db2.gz OITNWBWFLGEMKJ-UHFFFAOYSA-N 2 2 323.484 3.740 20 0 DHADLP CCc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000339036443 1033835207 /nfs/dbraw/zinc/83/52/07/1033835207.db2.gz OITNWBWFLGEMKJ-UHFFFAOYSA-N 2 2 323.484 3.740 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C2CC[NH+](C)CC2)o1 ZINC000174247683 1033916191 /nfs/dbraw/zinc/91/61/91/1033916191.db2.gz HSUYZXBVKUFFOG-UHFFFAOYSA-N 2 2 302.393 3.578 20 0 DHADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC(C)(C)[NH+](C)C)cc1F ZINC000479871228 1033929665 /nfs/dbraw/zinc/92/96/65/1033929665.db2.gz CYCDUZLKIRSWKJ-RDJZCZTQSA-N 2 2 322.468 3.790 20 0 DHADLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1nc2cc(Cl)ccc2o1 ZINC000879159295 1033938766 /nfs/dbraw/zinc/93/87/66/1033938766.db2.gz STVUKQICSYRHKR-UHFFFAOYSA-N 2 2 318.808 3.593 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000480093581 1034059388 /nfs/dbraw/zinc/05/93/88/1034059388.db2.gz PVJZAWOTQAOKPB-HOTGVXAUSA-N 2 2 312.457 3.983 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000480093581 1034059404 /nfs/dbraw/zinc/05/94/04/1034059404.db2.gz PVJZAWOTQAOKPB-HOTGVXAUSA-N 2 2 312.457 3.983 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(SC(F)F)cc1 ZINC000863542612 1034123872 /nfs/dbraw/zinc/12/38/72/1034123872.db2.gz QZHDJFVCWOYBMQ-FZMZJTMJSA-N 2 2 312.429 3.937 20 0 DHADLP C[C@@H]([NH2+]Cc1cn(C(F)F)c2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000863548295 1034125695 /nfs/dbraw/zinc/12/56/95/1034125695.db2.gz WWRRIIWBICEOTN-DOMZBBRYSA-N 2 2 307.388 3.657 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000667666538 1034207879 /nfs/dbraw/zinc/20/78/79/1034207879.db2.gz PLFBQTSKILNRTP-RHSMWYFYSA-N 2 2 320.452 3.529 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000667666538 1034207896 /nfs/dbraw/zinc/20/78/96/1034207896.db2.gz PLFBQTSKILNRTP-RHSMWYFYSA-N 2 2 320.452 3.529 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000667666538 1034207911 /nfs/dbraw/zinc/20/79/11/1034207911.db2.gz PLFBQTSKILNRTP-RHSMWYFYSA-N 2 2 320.452 3.529 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000667666538 1034207928 /nfs/dbraw/zinc/20/79/28/1034207928.db2.gz PLFBQTSKILNRTP-RHSMWYFYSA-N 2 2 320.452 3.529 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+](CCc2c(C)noc2C)CC1 ZINC000880255524 1034266184 /nfs/dbraw/zinc/26/61/84/1034266184.db2.gz NSHMRRXNCQTNND-UHFFFAOYSA-N 2 2 319.493 3.564 20 0 DHADLP FC(F)(F)c1ccccc1[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000179392513 1034306866 /nfs/dbraw/zinc/30/68/66/1034306866.db2.gz OMZAJSLBMLYRAB-GOEBONIOSA-N 2 2 323.362 3.828 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[N@@H+]1C ZINC000179590386 1034316940 /nfs/dbraw/zinc/31/69/40/1034316940.db2.gz LDQYJZZHPCKUFA-UGFHNGPFSA-N 2 2 318.358 3.892 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC[N@H+]1C ZINC000179590386 1034316956 /nfs/dbraw/zinc/31/69/56/1034316956.db2.gz LDQYJZZHPCKUFA-UGFHNGPFSA-N 2 2 318.358 3.892 20 0 DHADLP Fc1ccc([C@H](CC(F)(F)F)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000179668368 1034323466 /nfs/dbraw/zinc/32/34/66/1034323466.db2.gz DIIXQKQLRICEOU-AWEZNQCLSA-N 2 2 315.314 3.696 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2cccnc2)cc1 ZINC000179675639 1034323987 /nfs/dbraw/zinc/32/39/87/1034323987.db2.gz FVARJQZKMYLTTK-INIZCTEOSA-N 2 2 306.413 3.686 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000480607484 1034348114 /nfs/dbraw/zinc/34/81/14/1034348114.db2.gz GIBKJHWRMTUYMN-IMJJTQAJSA-N 2 2 324.415 3.874 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000480607484 1034348127 /nfs/dbraw/zinc/34/81/27/1034348127.db2.gz GIBKJHWRMTUYMN-IMJJTQAJSA-N 2 2 324.415 3.874 20 0 DHADLP C[C@@]1(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1(Cl)Cl ZINC000880569649 1034363326 /nfs/dbraw/zinc/36/33/26/1034363326.db2.gz NIKUGQVNMCYJCU-CABCVRRESA-N 2 2 324.255 3.798 20 0 DHADLP C[C@@]1(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1(Cl)Cl ZINC000880569650 1034363462 /nfs/dbraw/zinc/36/34/62/1034363462.db2.gz NIKUGQVNMCYJCU-GJZGRUSLSA-N 2 2 324.255 3.798 20 0 DHADLP FC1(F)CC[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880568856 1034364577 /nfs/dbraw/zinc/36/45/77/1034364577.db2.gz FHUGACLHYBWODY-ZBFHGGJFSA-N 2 2 305.372 3.649 20 0 DHADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000480775274 1034447645 /nfs/dbraw/zinc/44/76/45/1034447645.db2.gz OROGFPXXHOISDT-MRXNPFEDSA-N 2 2 318.461 3.669 20 0 DHADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000480775274 1034447649 /nfs/dbraw/zinc/44/76/49/1034447649.db2.gz OROGFPXXHOISDT-MRXNPFEDSA-N 2 2 318.461 3.669 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000555093575 1034497258 /nfs/dbraw/zinc/49/72/58/1034497258.db2.gz WDNSLHSPHWXKCR-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000555093575 1034497265 /nfs/dbraw/zinc/49/72/65/1034497265.db2.gz WDNSLHSPHWXKCR-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(Cl)ccc1OC(F)F ZINC000481955572 1035038167 /nfs/dbraw/zinc/03/81/67/1035038167.db2.gz HHWLVKYHZUVXLU-WDEREUQCSA-N 2 2 320.811 3.932 20 0 DHADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000482244598 1035071592 /nfs/dbraw/zinc/07/15/92/1035071592.db2.gz IMNGTZJTZGWMDV-AUUYWEPGSA-N 2 2 313.420 3.936 20 0 DHADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000482313569 1035082850 /nfs/dbraw/zinc/08/28/50/1035082850.db2.gz VFDGKKZAYGBZQG-YCPHGPKFSA-N 2 2 314.395 3.685 20 0 DHADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000482313569 1035082854 /nfs/dbraw/zinc/08/28/54/1035082854.db2.gz VFDGKKZAYGBZQG-YCPHGPKFSA-N 2 2 314.395 3.685 20 0 DHADLP CC[NH+]1CCN(c2ccc(Nc3c[nH+]c(C)cc3C)cc2)CC1 ZINC001175783851 1035121112 /nfs/dbraw/zinc/12/11/12/1035121112.db2.gz XLBAHTMESMEKID-UHFFFAOYSA-N 2 2 310.445 3.584 20 0 DHADLP COc1cc(Cl)ccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000482761721 1035175748 /nfs/dbraw/zinc/17/57/48/1035175748.db2.gz REXYMTBLDIPPOK-MRXNPFEDSA-N 2 2 310.869 3.655 20 0 DHADLP COc1cc(Cl)ccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000482761721 1035175750 /nfs/dbraw/zinc/17/57/50/1035175750.db2.gz REXYMTBLDIPPOK-MRXNPFEDSA-N 2 2 310.869 3.655 20 0 DHADLP COc1cc(Cl)ccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000482761721 1035175754 /nfs/dbraw/zinc/17/57/54/1035175754.db2.gz REXYMTBLDIPPOK-MRXNPFEDSA-N 2 2 310.869 3.655 20 0 DHADLP COc1cc(Cl)ccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000482761721 1035175768 /nfs/dbraw/zinc/17/57/68/1035175768.db2.gz REXYMTBLDIPPOK-MRXNPFEDSA-N 2 2 310.869 3.655 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000482830171 1035184846 /nfs/dbraw/zinc/18/48/46/1035184846.db2.gz VEWLKZILOCLWHA-BBRMVZONSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000482830171 1035184848 /nfs/dbraw/zinc/18/48/48/1035184848.db2.gz VEWLKZILOCLWHA-BBRMVZONSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000482830171 1035184850 /nfs/dbraw/zinc/18/48/50/1035184850.db2.gz VEWLKZILOCLWHA-BBRMVZONSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000482830171 1035184852 /nfs/dbraw/zinc/18/48/52/1035184852.db2.gz VEWLKZILOCLWHA-BBRMVZONSA-N 2 2 310.869 3.511 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000194590024 1035222311 /nfs/dbraw/zinc/22/23/11/1035222311.db2.gz JLQNIYQTKQGCGE-OAHLLOKOSA-N 2 2 317.864 3.837 20 0 DHADLP C[NH+](C)CCOc1ccc(Nc2[nH+]ccc3ccccc32)cc1 ZINC001176222870 1035226143 /nfs/dbraw/zinc/22/61/43/1035226143.db2.gz VHCYXXJNCKXNPN-UHFFFAOYSA-N 2 2 307.397 3.919 20 0 DHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000191839542 1035287041 /nfs/dbraw/zinc/28/70/41/1035287041.db2.gz KWTDDKLHBTYYJN-RXVVDRJESA-N 2 2 324.468 3.628 20 0 DHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000191839542 1035287044 /nfs/dbraw/zinc/28/70/44/1035287044.db2.gz KWTDDKLHBTYYJN-RXVVDRJESA-N 2 2 324.468 3.628 20 0 DHADLP C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000903388722 1035305554 /nfs/dbraw/zinc/30/55/54/1035305554.db2.gz MRNGYXCMUNTTAC-YJBOKZPZSA-N 2 2 311.429 3.625 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924791815 1035324614 /nfs/dbraw/zinc/32/46/14/1035324614.db2.gz RAIIMXBVJHHVSU-NSHDSACASA-N 2 2 320.321 3.724 20 0 DHADLP C[N@H+]1CCC[C@H]1C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924791815 1035324617 /nfs/dbraw/zinc/32/46/17/1035324617.db2.gz RAIIMXBVJHHVSU-NSHDSACASA-N 2 2 320.321 3.724 20 0 DHADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000484467750 1035336662 /nfs/dbraw/zinc/33/66/62/1035336662.db2.gz ARUSXDQZAVNTDZ-MAUKXSAKSA-N 2 2 306.519 3.898 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1ncccc1C ZINC001176896448 1035338013 /nfs/dbraw/zinc/33/80/13/1035338013.db2.gz GFNVGRKLTLDCCY-MRXNPFEDSA-N 2 2 306.413 3.735 20 0 DHADLP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990885 1035341100 /nfs/dbraw/zinc/34/11/00/1035341100.db2.gz NTWMSRDMHQXETK-SJORKVTESA-N 2 2 321.509 3.615 20 0 DHADLP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176990885 1035341104 /nfs/dbraw/zinc/34/11/04/1035341104.db2.gz NTWMSRDMHQXETK-SJORKVTESA-N 2 2 321.509 3.615 20 0 DHADLP C[C@@H]1CCCC[C@@H]1OCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177268352 1035362110 /nfs/dbraw/zinc/36/21/10/1035362110.db2.gz XAOVVVHNYQQMPT-PBHICJAKSA-N 2 2 319.474 3.619 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(F)cc1Cl)C(C)(C)C ZINC001177823329 1035391921 /nfs/dbraw/zinc/39/19/21/1035391921.db2.gz UJPGQRGDLKLSKO-HNNXBMFYSA-N 2 2 300.849 3.935 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C(C)(C)C ZINC001177823330 1035391955 /nfs/dbraw/zinc/39/19/55/1035391955.db2.gz UJPGQRGDLKLSKO-OAHLLOKOSA-N 2 2 300.849 3.935 20 0 DHADLP CC[NH+](CC)CCn1cc(Nc2cccc3cc[nH+]cc32)cn1 ZINC001203257968 1035404524 /nfs/dbraw/zinc/40/45/24/1035404524.db2.gz FIVDBUQOERUGAQ-UHFFFAOYSA-N 2 2 309.417 3.517 20 0 DHADLP CC(C)C(C[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC001178016595 1035404677 /nfs/dbraw/zinc/40/46/77/1035404677.db2.gz XEJVLWBGTZGIEZ-UHFFFAOYSA-N 2 2 303.494 3.779 20 0 DHADLP CC(C)CSCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001178205750 1035414516 /nfs/dbraw/zinc/41/45/16/1035414516.db2.gz SWFQOHXIUMDBHJ-UHFFFAOYSA-N 2 2 309.504 3.803 20 0 DHADLP C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001178409448 1035428098 /nfs/dbraw/zinc/42/80/98/1035428098.db2.gz UEUUCAVRHYJQIJ-OAHLLOKOSA-N 2 2 321.428 3.645 20 0 DHADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1nc2ccccc2n1C(C)C ZINC001179081343 1035463687 /nfs/dbraw/zinc/46/36/87/1035463687.db2.gz FOPXBEIXZBDPRP-UHFFFAOYSA-N 2 2 316.493 3.685 20 0 DHADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1nc2ccccc2n1C(C)C ZINC001179081343 1035463693 /nfs/dbraw/zinc/46/36/93/1035463693.db2.gz FOPXBEIXZBDPRP-UHFFFAOYSA-N 2 2 316.493 3.685 20 0 DHADLP Cc1ccc([C@@H](CC(F)(F)F)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC001193071675 1035549131 /nfs/dbraw/zinc/54/91/31/1035549131.db2.gz YCQFFWWUCQLVDS-OAHLLOKOSA-N 2 2 311.351 3.865 20 0 DHADLP CCc1onc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000929508408 1035627590 /nfs/dbraw/zinc/62/75/90/1035627590.db2.gz DBVLHWRTDZEGAM-QGZVFWFLSA-N 2 2 319.493 3.633 20 0 DHADLP CCc1onc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000929508408 1035627597 /nfs/dbraw/zinc/62/75/97/1035627597.db2.gz DBVLHWRTDZEGAM-QGZVFWFLSA-N 2 2 319.493 3.633 20 0 DHADLP CCC(CC)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)SC ZINC000224325977 1035687106 /nfs/dbraw/zinc/68/71/06/1035687106.db2.gz ZAFIGSQZLQIPRZ-UHFFFAOYSA-N 2 2 307.507 3.562 20 0 DHADLP Cc1ccccc1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000539659983 1035815978 /nfs/dbraw/zinc/81/59/78/1035815978.db2.gz RMGBFRQPPTUKDW-FUHWJXTLSA-N 2 2 324.472 3.703 20 0 DHADLP c1cn(CCC[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000485906421 1036032617 /nfs/dbraw/zinc/03/26/17/1036032617.db2.gz KKHZOVQPFHRFLR-SLFFLAALSA-N 2 2 309.457 3.931 20 0 DHADLP c1cn(CCC[N@H+]2C[C@@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000485906421 1036032632 /nfs/dbraw/zinc/03/26/32/1036032632.db2.gz KKHZOVQPFHRFLR-SLFFLAALSA-N 2 2 309.457 3.931 20 0 DHADLP C[N@@H+]1CC[C@@H](Nc2cc[nH+]c3ccsc32)[C@@H]1c1ccccc1 ZINC000485976197 1036066883 /nfs/dbraw/zinc/06/68/83/1036066883.db2.gz KDSUVKFEZOTRDY-PBHICJAKSA-N 2 2 309.438 3.576 20 0 DHADLP C[N@H+]1CC[C@@H](Nc2cc[nH+]c3ccsc32)[C@@H]1c1ccccc1 ZINC000485976197 1036066901 /nfs/dbraw/zinc/06/69/01/1036066901.db2.gz KDSUVKFEZOTRDY-PBHICJAKSA-N 2 2 309.438 3.576 20 0 DHADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000540757360 1036147292 /nfs/dbraw/zinc/14/72/92/1036147292.db2.gz QCVCJUVJUKXWPR-QFBILLFUSA-N 2 2 324.472 3.703 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C/C=C\c2ccncc2)C1 ZINC000494995236 1036178400 /nfs/dbraw/zinc/17/84/00/1036178400.db2.gz LTCYUJDOTNRWGE-NUYWCDCQSA-N 2 2 313.489 3.681 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C/C=C\c2ccncc2)C1 ZINC000494995236 1036178411 /nfs/dbraw/zinc/17/84/11/1036178411.db2.gz LTCYUJDOTNRWGE-NUYWCDCQSA-N 2 2 313.489 3.681 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C/C=C\c2ccncc2)C1 ZINC000494995236 1036178421 /nfs/dbraw/zinc/17/84/21/1036178421.db2.gz LTCYUJDOTNRWGE-NUYWCDCQSA-N 2 2 313.489 3.681 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C/C=C\c2ccncc2)C1 ZINC000494995236 1036178433 /nfs/dbraw/zinc/17/84/33/1036178433.db2.gz LTCYUJDOTNRWGE-NUYWCDCQSA-N 2 2 313.489 3.681 20 0 DHADLP Cc1ccc(OCCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000495015186 1036186065 /nfs/dbraw/zinc/18/60/65/1036186065.db2.gz DQSNNPRZRJTULS-KRWDZBQOSA-N 2 2 313.445 3.675 20 0 DHADLP Cc1ccc(OCCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000495015186 1036186108 /nfs/dbraw/zinc/18/61/08/1036186108.db2.gz DQSNNPRZRJTULS-KRWDZBQOSA-N 2 2 313.445 3.675 20 0 DHADLP C[C@@H]([NH2+]CCCOc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000541082994 1036233421 /nfs/dbraw/zinc/23/34/21/1036233421.db2.gz QIYFZXPVVZGWPF-QGZVFWFLSA-N 2 2 321.424 3.992 20 0 DHADLP COc1ccc2ccccc2c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000079923633 1036238454 /nfs/dbraw/zinc/23/84/54/1036238454.db2.gz RAKDIAQLDOARMZ-UHFFFAOYSA-N 2 2 309.413 3.615 20 0 DHADLP Fc1ccc(/C=C\C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000541772014 1036428511 /nfs/dbraw/zinc/42/85/11/1036428511.db2.gz UGEDKBZNKLPBHK-YIEVGGLXSA-N 2 2 320.427 3.786 20 0 DHADLP Fc1ccc(/C=C\C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000541772014 1036428514 /nfs/dbraw/zinc/42/85/14/1036428514.db2.gz UGEDKBZNKLPBHK-YIEVGGLXSA-N 2 2 320.427 3.786 20 0 DHADLP Fc1ccc(/C=C/C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000541772008 1036428733 /nfs/dbraw/zinc/42/87/33/1036428733.db2.gz UGEDKBZNKLPBHK-APHBUQMISA-N 2 2 320.427 3.786 20 0 DHADLP Fc1ccc(/C=C/C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000541772008 1036428736 /nfs/dbraw/zinc/42/87/36/1036428736.db2.gz UGEDKBZNKLPBHK-APHBUQMISA-N 2 2 320.427 3.786 20 0 DHADLP Fc1ccc(/C=C/C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000541772012 1036429369 /nfs/dbraw/zinc/42/93/69/1036429369.db2.gz UGEDKBZNKLPBHK-DWTRPJMMSA-N 2 2 320.427 3.786 20 0 DHADLP Fc1ccc(/C=C/C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000541772012 1036429375 /nfs/dbraw/zinc/42/93/75/1036429375.db2.gz UGEDKBZNKLPBHK-DWTRPJMMSA-N 2 2 320.427 3.786 20 0 DHADLP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000486935679 1036475885 /nfs/dbraw/zinc/47/58/85/1036475885.db2.gz LVHYGRLVYRPTMD-UHFFFAOYSA-N 2 2 322.880 3.703 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000303057818 1036541255 /nfs/dbraw/zinc/54/12/55/1036541255.db2.gz XGWSCFFFIYEEMK-SFHVURJKSA-N 2 2 304.453 3.770 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000303057818 1036541267 /nfs/dbraw/zinc/54/12/67/1036541267.db2.gz XGWSCFFFIYEEMK-SFHVURJKSA-N 2 2 304.453 3.770 20 0 DHADLP FCc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001197266336 1036722623 /nfs/dbraw/zinc/72/26/23/1036722623.db2.gz WXYXRFUTCVQPIH-IBGZPJMESA-N 2 2 309.388 3.884 20 0 DHADLP C[C@@]1([NH3+])CCC[N@H+](Cc2c(F)cc(C(F)(F)F)cc2F)CC1 ZINC001205289620 1036756805 /nfs/dbraw/zinc/75/68/05/1036756805.db2.gz ZUJAGKZUWKWHOQ-CQSZACIVSA-N 2 2 322.321 3.687 20 0 DHADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2c(F)cc(C(F)(F)F)cc2F)CC1 ZINC001205289620 1036756826 /nfs/dbraw/zinc/75/68/26/1036756826.db2.gz ZUJAGKZUWKWHOQ-CQSZACIVSA-N 2 2 322.321 3.687 20 0 DHADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001184205715 1036769394 /nfs/dbraw/zinc/76/93/94/1036769394.db2.gz BZHLOWNLECVLMO-CVEARBPZSA-N 2 2 308.897 3.763 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)CC2 ZINC000487916976 1036777594 /nfs/dbraw/zinc/77/75/94/1036777594.db2.gz QMYIYYMJYVQUNZ-VQTJNVASSA-N 2 2 317.436 3.772 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184265926 1036790556 /nfs/dbraw/zinc/79/05/56/1036790556.db2.gz WXXOEEUADQWNRH-CYBMUJFWSA-N 2 2 312.860 3.732 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184265926 1036790576 /nfs/dbraw/zinc/79/05/76/1036790576.db2.gz WXXOEEUADQWNRH-CYBMUJFWSA-N 2 2 312.860 3.732 20 0 DHADLP CC[C@H](C)[C@H](C)[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140161 1036951003 /nfs/dbraw/zinc/95/10/03/1036951003.db2.gz CUAKJAIZCXPTCC-OALUTQOASA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@H](C)[C@H](C)[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140161 1036951018 /nfs/dbraw/zinc/95/10/18/1036951018.db2.gz CUAKJAIZCXPTCC-OALUTQOASA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@H](C)[C@H](C)[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001198140161 1036951026 /nfs/dbraw/zinc/95/10/26/1036951026.db2.gz CUAKJAIZCXPTCC-OALUTQOASA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@H](C)[C@H](C)[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001198140161 1036951037 /nfs/dbraw/zinc/95/10/37/1036951037.db2.gz CUAKJAIZCXPTCC-OALUTQOASA-N 2 2 318.505 3.646 20 0 DHADLP CCC(C)(C)OCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000308538093 1037089356 /nfs/dbraw/zinc/08/93/56/1037089356.db2.gz HFUOLBBKHROLJN-HNNXBMFYSA-N 2 2 301.434 3.728 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C2CCC2)CCOCC1)c1ccccc1 ZINC000178534474 1037327144 /nfs/dbraw/zinc/32/71/44/1037327144.db2.gz UBLMBCGSAYPRQN-IAGOWNOFSA-N 2 2 316.489 3.665 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000398052574 1037588021 /nfs/dbraw/zinc/58/80/21/1037588021.db2.gz YICNTWWSKHPGEV-UTKZUKDTSA-N 2 2 323.484 3.644 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000398052574 1037588024 /nfs/dbraw/zinc/58/80/24/1037588024.db2.gz YICNTWWSKHPGEV-UTKZUKDTSA-N 2 2 323.484 3.644 20 0 DHADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000494173156 1037660559 /nfs/dbraw/zinc/66/05/59/1037660559.db2.gz OWXXCQRMDAOWNI-HNNXBMFYSA-N 2 2 309.523 3.553 20 0 DHADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000494173156 1037660572 /nfs/dbraw/zinc/66/05/72/1037660572.db2.gz OWXXCQRMDAOWNI-HNNXBMFYSA-N 2 2 309.523 3.553 20 0 DHADLP CCCC[C@H](CC)C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201560145 1037776863 /nfs/dbraw/zinc/77/68/63/1037776863.db2.gz QGIYQQMPIKMCTP-FHWLQOOXSA-N 2 2 315.505 3.662 20 0 DHADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](CCCc2ccccc2)C3)c1 ZINC001201661676 1037838750 /nfs/dbraw/zinc/83/87/50/1037838750.db2.gz CHFWFXOOUOLMHU-BGYRXZFFSA-N 2 2 324.468 3.666 20 0 DHADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](CCCc2ccccc2)C3)c1 ZINC001201661676 1037838775 /nfs/dbraw/zinc/83/87/75/1037838775.db2.gz CHFWFXOOUOLMHU-BGYRXZFFSA-N 2 2 324.468 3.666 20 0 DHADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](CCCc4ccccc4)C3)C2)c1 ZINC001201661676 1037838798 /nfs/dbraw/zinc/83/87/98/1037838798.db2.gz CHFWFXOOUOLMHU-BGYRXZFFSA-N 2 2 324.468 3.666 20 0 DHADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](CCCc4ccccc4)C3)C2)c1 ZINC001201661676 1037838821 /nfs/dbraw/zinc/83/88/21/1037838821.db2.gz CHFWFXOOUOLMHU-BGYRXZFFSA-N 2 2 324.468 3.666 20 0 DHADLP FC(F)(F)[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000186435437 1037899783 /nfs/dbraw/zinc/89/97/83/1037899783.db2.gz IZFKVZFCSMCJNO-OAHLLOKOSA-N 2 2 319.330 3.770 20 0 DHADLP FC(F)(F)[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000186435455 1037901847 /nfs/dbraw/zinc/90/18/47/1037901847.db2.gz IZFKVZFCSMCJNO-HNNXBMFYSA-N 2 2 319.330 3.770 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000125255711 1037929177 /nfs/dbraw/zinc/92/91/77/1037929177.db2.gz DZYXJFWBEBWGRS-UHFFFAOYSA-N 2 2 318.358 3.761 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000125255711 1037929193 /nfs/dbraw/zinc/92/91/93/1037929193.db2.gz DZYXJFWBEBWGRS-UHFFFAOYSA-N 2 2 318.358 3.761 20 0 DHADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)CCO2 ZINC000163805709 1038005899 /nfs/dbraw/zinc/00/58/99/1038005899.db2.gz ATCCEJMPGZDYRM-QGZVFWFLSA-N 2 2 311.429 3.559 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC001202176067 1038084201 /nfs/dbraw/zinc/08/42/01/1038084201.db2.gz KBKXJRDTXHKFAV-QGZVFWFLSA-N 2 2 308.510 3.580 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)C1 ZINC001202176067 1038084215 /nfs/dbraw/zinc/08/42/15/1038084215.db2.gz KBKXJRDTXHKFAV-QGZVFWFLSA-N 2 2 308.510 3.580 20 0 DHADLP Cc1ccccc1-c1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494406517 1038088284 /nfs/dbraw/zinc/08/82/84/1038088284.db2.gz PZRNUMHMXIGAAM-LJQANCHMSA-N 2 2 317.436 3.963 20 0 DHADLP Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000494406900 1038089853 /nfs/dbraw/zinc/08/98/53/1038089853.db2.gz RDSFZVXHXHRQOO-MRXNPFEDSA-N 2 2 307.397 3.556 20 0 DHADLP CC[NH+](CC)C1CC[NH+](C[C@@H]2CC3(CO2)CCCCC3)CC1 ZINC001190392251 1038306077 /nfs/dbraw/zinc/30/60/77/1038306077.db2.gz LYKFXQMNXSCVKD-SFHVURJKSA-N 2 2 308.510 3.532 20 0 DHADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000572961548 1038657096 /nfs/dbraw/zinc/65/70/96/1038657096.db2.gz IMPADNLLHZUFAJ-SFHVURJKSA-N 2 2 322.880 3.703 20 0 DHADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000572961548 1038657100 /nfs/dbraw/zinc/65/71/00/1038657100.db2.gz IMPADNLLHZUFAJ-SFHVURJKSA-N 2 2 322.880 3.703 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000591868363 1039036675 /nfs/dbraw/zinc/03/66/75/1039036675.db2.gz XRYAIGPAWULLBT-SFHVURJKSA-N 2 2 322.412 3.684 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)co2)cc1 ZINC000591868363 1039036699 /nfs/dbraw/zinc/03/66/99/1039036699.db2.gz XRYAIGPAWULLBT-SFHVURJKSA-N 2 2 322.412 3.684 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1C ZINC000605421321 1039675074 /nfs/dbraw/zinc/67/50/74/1039675074.db2.gz ZYRRHDITBOQPLV-SFHVURJKSA-N 2 2 316.489 3.588 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1C ZINC000605421321 1039675083 /nfs/dbraw/zinc/67/50/83/1039675083.db2.gz ZYRRHDITBOQPLV-SFHVURJKSA-N 2 2 316.489 3.588 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1C ZINC000605421321 1039675091 /nfs/dbraw/zinc/67/50/91/1039675091.db2.gz ZYRRHDITBOQPLV-SFHVURJKSA-N 2 2 316.489 3.588 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000605421321 1039675097 /nfs/dbraw/zinc/67/50/97/1039675097.db2.gz ZYRRHDITBOQPLV-SFHVURJKSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000608061183 1040360494 /nfs/dbraw/zinc/36/04/94/1040360494.db2.gz FHOWBBLTWCNALV-ZIAGYGMSSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[N@H+]1C ZINC000608061183 1040360500 /nfs/dbraw/zinc/36/05/00/1040360500.db2.gz FHOWBBLTWCNALV-ZIAGYGMSSA-N 2 2 302.393 3.658 20 0 DHADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc12 ZINC000092659290 185332085 /nfs/dbraw/zinc/33/20/85/185332085.db2.gz ZBXGNFDOLWGMCO-UHFFFAOYSA-N 2 2 321.424 3.882 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2cccnc2)[NH+]2CCCC2)cc1 ZINC000092743133 185338026 /nfs/dbraw/zinc/33/80/26/185338026.db2.gz YQCBZSTUJJAQFO-XLIONFOSSA-N 2 2 309.457 3.878 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2coc3ccccc23)[C@@H]1c1cccnc1 ZINC000328641115 529794424 /nfs/dbraw/zinc/79/44/24/529794424.db2.gz QIUWQNXTLRVMHN-JXFKEZNVSA-N 2 2 321.424 3.610 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2coc3ccccc23)[C@@H]1c1cccnc1 ZINC000328641115 529794425 /nfs/dbraw/zinc/79/44/25/529794425.db2.gz QIUWQNXTLRVMHN-JXFKEZNVSA-N 2 2 321.424 3.610 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000072858645 191242741 /nfs/dbraw/zinc/24/27/41/191242741.db2.gz VEOLWNLFAOHZET-SFHVURJKSA-N 2 2 316.489 3.588 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000072858645 191242742 /nfs/dbraw/zinc/24/27/42/191242742.db2.gz VEOLWNLFAOHZET-SFHVURJKSA-N 2 2 316.489 3.588 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000072858645 191242744 /nfs/dbraw/zinc/24/27/44/191242744.db2.gz VEOLWNLFAOHZET-SFHVURJKSA-N 2 2 316.489 3.588 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000072858645 191242748 /nfs/dbraw/zinc/24/27/48/191242748.db2.gz VEOLWNLFAOHZET-SFHVURJKSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@@H](c1cccnc1)[NH+](C)CCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093234507 193220398 /nfs/dbraw/zinc/22/03/98/193220398.db2.gz RVTWKRIPWPUPGN-IRXDYDNUSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@@H](c1cccnc1)[NH+](C)CCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093234507 193220399 /nfs/dbraw/zinc/22/03/99/193220399.db2.gz RVTWKRIPWPUPGN-IRXDYDNUSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000093318626 193232406 /nfs/dbraw/zinc/23/24/06/193232406.db2.gz OIERJDPXRLIINV-PKOBYXMFSA-N 2 2 311.473 3.510 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cccn2C)CC[N@H+]1Cc1ccccc1 ZINC000093318626 193232408 /nfs/dbraw/zinc/23/24/08/193232408.db2.gz OIERJDPXRLIINV-PKOBYXMFSA-N 2 2 311.473 3.510 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccn2C)CC[NH+]1Cc1ccccc1 ZINC000093318626 193232410 /nfs/dbraw/zinc/23/24/10/193232410.db2.gz OIERJDPXRLIINV-PKOBYXMFSA-N 2 2 311.473 3.510 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccn2C)CC[NH+]1Cc1ccccc1 ZINC000093318626 193232411 /nfs/dbraw/zinc/23/24/11/193232411.db2.gz OIERJDPXRLIINV-PKOBYXMFSA-N 2 2 311.473 3.510 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000022936138 182342734 /nfs/dbraw/zinc/34/27/34/182342734.db2.gz PINWMVSNEXFMON-FQEVSTJZSA-N 2 2 324.468 3.840 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000022936138 182342738 /nfs/dbraw/zinc/34/27/38/182342738.db2.gz PINWMVSNEXFMON-FQEVSTJZSA-N 2 2 324.468 3.840 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000120060732 195089906 /nfs/dbraw/zinc/08/99/06/195089906.db2.gz HRIBDAALWDKJGT-YZVOILCLSA-N 2 2 313.420 3.534 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cncc(F)c1 ZINC000120060732 195089910 /nfs/dbraw/zinc/08/99/10/195089910.db2.gz HRIBDAALWDKJGT-YZVOILCLSA-N 2 2 313.420 3.534 20 0 DHADLP Cc1cccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccco2)c1 ZINC000343313407 335063046 /nfs/dbraw/zinc/06/30/46/335063046.db2.gz HMDBILSGCZEGER-UHFFFAOYSA-N 2 2 309.413 3.877 20 0 DHADLP Cc1cccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccco2)c1 ZINC000343313407 335063048 /nfs/dbraw/zinc/06/30/48/335063048.db2.gz HMDBILSGCZEGER-UHFFFAOYSA-N 2 2 309.413 3.877 20 0 DHADLP Cc1ccsc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272598361 130044836 /nfs/dbraw/zinc/04/48/36/130044836.db2.gz TXSXJXLXPZELBM-UHFFFAOYSA-N 2 2 306.397 3.563 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000273336849 130107937 /nfs/dbraw/zinc/10/79/37/130107937.db2.gz VIPIFJMBVJWEIR-GDBMZVCRSA-N 2 2 315.486 3.945 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000273336849 130107940 /nfs/dbraw/zinc/10/79/40/130107940.db2.gz VIPIFJMBVJWEIR-GDBMZVCRSA-N 2 2 315.486 3.945 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)no1 ZINC000283995523 131039307 /nfs/dbraw/zinc/03/93/07/131039307.db2.gz HMRXSHKMERMPTI-GOEBONIOSA-N 2 2 301.434 3.544 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)no1 ZINC000283995523 131039309 /nfs/dbraw/zinc/03/93/09/131039309.db2.gz HMRXSHKMERMPTI-GOEBONIOSA-N 2 2 301.434 3.544 20 0 DHADLP Oc1cccc2c1CCC[C@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000284052879 131044364 /nfs/dbraw/zinc/04/43/64/131044364.db2.gz KICXPIQNRMRUTM-QGZVFWFLSA-N 2 2 311.429 3.647 20 0 DHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc[nH+]cc1C ZINC000288823318 131340671 /nfs/dbraw/zinc/34/06/71/131340671.db2.gz MLDHCOYJVVWOQY-UHFFFAOYSA-N 2 2 318.465 3.510 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000289066727 131355375 /nfs/dbraw/zinc/35/53/75/131355375.db2.gz JLZVZECHNHEDSI-UHFFFAOYSA-N 2 2 320.440 3.640 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000289066727 131355377 /nfs/dbraw/zinc/35/53/77/131355377.db2.gz JLZVZECHNHEDSI-UHFFFAOYSA-N 2 2 320.440 3.640 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000289342423 131376097 /nfs/dbraw/zinc/37/60/97/131376097.db2.gz WHBMVUXGNLEADD-UHFFFAOYSA-N 2 2 309.457 3.581 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000289416710 131384938 /nfs/dbraw/zinc/38/49/38/131384938.db2.gz UEZGNHSQTYGPPA-UHFFFAOYSA-N 2 2 302.462 3.746 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@H](c1ccccc1)N(C)C ZINC000289568388 131397430 /nfs/dbraw/zinc/39/74/30/131397430.db2.gz HFJIYNHWJPLKJG-YLJYHZDGSA-N 2 2 311.473 3.604 20 0 DHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCc1c[nH+]cn1C ZINC000297306552 132008916 /nfs/dbraw/zinc/00/89/16/132008916.db2.gz BODGAYWFSOPJAM-LBPRGKRZSA-N 2 2 311.351 3.674 20 0 DHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297306552 132008918 /nfs/dbraw/zinc/00/89/18/132008918.db2.gz BODGAYWFSOPJAM-LBPRGKRZSA-N 2 2 311.351 3.674 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000297566212 132022680 /nfs/dbraw/zinc/02/26/80/132022680.db2.gz CMEQFVVUPAFSCZ-UONOGXRCSA-N 2 2 305.853 3.740 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297566212 132022681 /nfs/dbraw/zinc/02/26/81/132022681.db2.gz CMEQFVVUPAFSCZ-UONOGXRCSA-N 2 2 305.853 3.740 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccn2)cc1 ZINC000297559897 132022704 /nfs/dbraw/zinc/02/27/04/132022704.db2.gz BBGOAMMWGWNRJU-OAQYLSRUSA-N 2 2 321.468 3.696 20 0 DHADLP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000120361602 132141858 /nfs/dbraw/zinc/14/18/58/132141858.db2.gz AIDYZGSYTWNXAO-CYBMUJFWSA-N 2 2 314.420 3.539 20 0 DHADLP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2cc(Cl)ccc21 ZINC000120208079 132143099 /nfs/dbraw/zinc/14/30/99/132143099.db2.gz KAIDFEXPHLTQLN-UHFFFAOYSA-N 2 2 314.820 3.920 20 0 DHADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000040600148 132144370 /nfs/dbraw/zinc/14/43/70/132144370.db2.gz GDMKWJPSUFYGKG-LBPRGKRZSA-N 2 2 308.878 3.986 20 0 DHADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000040600148 132144372 /nfs/dbraw/zinc/14/43/72/132144372.db2.gz GDMKWJPSUFYGKG-LBPRGKRZSA-N 2 2 308.878 3.986 20 0 DHADLP CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCCn2cc[nH+]c2)o1 ZINC000343317123 335070188 /nfs/dbraw/zinc/07/01/88/335070188.db2.gz CALGGYXWGBEFAI-NVXWUHKLSA-N 2 2 301.434 3.902 20 0 DHADLP Fc1ccc(F)c(C[N@H+](CCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000343319783 335077239 /nfs/dbraw/zinc/07/72/39/335077239.db2.gz JPYRIHQFAREQTQ-UHFFFAOYSA-N 2 2 319.399 3.996 20 0 DHADLP Fc1ccc(F)c(C[N@@H+](CCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000343319783 335077241 /nfs/dbraw/zinc/07/72/41/335077241.db2.gz JPYRIHQFAREQTQ-UHFFFAOYSA-N 2 2 319.399 3.996 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccsc1C(F)(F)F ZINC000529569295 335247394 /nfs/dbraw/zinc/24/73/94/335247394.db2.gz NSPFTQSAXXAXDN-ZYHUDNBSSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccsc1C(F)(F)F ZINC000529569295 335247395 /nfs/dbraw/zinc/24/73/95/335247395.db2.gz NSPFTQSAXXAXDN-ZYHUDNBSSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccsc1C(F)(F)F ZINC000529569295 335247396 /nfs/dbraw/zinc/24/73/96/335247396.db2.gz NSPFTQSAXXAXDN-ZYHUDNBSSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccsc1C(F)(F)F ZINC000529569295 335247397 /nfs/dbraw/zinc/24/73/97/335247397.db2.gz NSPFTQSAXXAXDN-ZYHUDNBSSA-N 2 2 306.397 3.539 20 0 DHADLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](C2CCCCC2)CC1 ZINC000536504246 435385771 /nfs/dbraw/zinc/38/57/71/435385771.db2.gz JDQLLQNPBLHQCQ-UHFFFAOYSA-N 2 2 312.461 3.782 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556430457 331703447 /nfs/dbraw/zinc/70/34/47/331703447.db2.gz MVCKOATZOMNZBV-UHFFFAOYSA-N 2 2 315.804 3.909 20 0 DHADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000128530079 332012720 /nfs/dbraw/zinc/01/27/20/332012720.db2.gz QKCIQXCYGJDDAB-AWEZNQCLSA-N 2 2 314.420 3.539 20 0 DHADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000128530079 332012721 /nfs/dbraw/zinc/01/27/21/332012721.db2.gz QKCIQXCYGJDDAB-AWEZNQCLSA-N 2 2 314.420 3.539 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000129752943 332020697 /nfs/dbraw/zinc/02/06/97/332020697.db2.gz JGHQZBKVPDRPKD-PVXIVEMSSA-N 2 2 306.450 3.577 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000129752943 332020698 /nfs/dbraw/zinc/02/06/98/332020698.db2.gz JGHQZBKVPDRPKD-PVXIVEMSSA-N 2 2 306.450 3.577 20 0 DHADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000569357342 332030834 /nfs/dbraw/zinc/03/08/34/332030834.db2.gz GUWHOUBLEADXNM-KSSFIOAISA-N 2 2 318.848 3.952 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)sc1C ZINC000088590500 332055008 /nfs/dbraw/zinc/05/50/08/332055008.db2.gz QHPMQNNLDMTMHV-QGZVFWFLSA-N 2 2 321.534 3.704 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)sc1C ZINC000088590500 332055010 /nfs/dbraw/zinc/05/50/10/332055010.db2.gz QHPMQNNLDMTMHV-QGZVFWFLSA-N 2 2 321.534 3.704 20 0 DHADLP Cc1cc[nH+]cc1CCCNc1ccc(N2CCCCC2)[nH+]c1 ZINC000518617678 332096812 /nfs/dbraw/zinc/09/68/12/332096812.db2.gz ZRSACNACXPSOAB-UHFFFAOYSA-N 2 2 310.445 3.820 20 0 DHADLP CCSCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132245764 332120259 /nfs/dbraw/zinc/12/02/59/332120259.db2.gz KFZBNDSYVZSHRA-FUHWJXTLSA-N 2 2 306.519 3.772 20 0 DHADLP CCSCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132245764 332120261 /nfs/dbraw/zinc/12/02/61/332120261.db2.gz KFZBNDSYVZSHRA-FUHWJXTLSA-N 2 2 306.519 3.772 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2cccc(C(F)(F)F)n2)c[nH+]1 ZINC000449401028 332132150 /nfs/dbraw/zinc/13/21/50/332132150.db2.gz KYYNVGDRYQWYPF-UHFFFAOYSA-N 2 2 309.335 3.526 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)CC3 ZINC000180914250 332147795 /nfs/dbraw/zinc/14/77/95/332147795.db2.gz ZQFIGLLWVNXJMT-ARFHVFGLSA-N 2 2 323.484 3.548 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)CC3 ZINC000180914250 332147798 /nfs/dbraw/zinc/14/77/98/332147798.db2.gz ZQFIGLLWVNXJMT-ARFHVFGLSA-N 2 2 323.484 3.548 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(F)c1 ZINC000363760505 332242521 /nfs/dbraw/zinc/24/25/21/332242521.db2.gz ZBCHMGQLSPIAKV-UONOGXRCSA-N 2 2 317.408 3.567 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000536499166 332253085 /nfs/dbraw/zinc/25/30/85/332253085.db2.gz VWNLMZXRZGNUHW-KZNAEPCWSA-N 2 2 304.865 3.934 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000536499166 332253088 /nfs/dbraw/zinc/25/30/88/332253088.db2.gz VWNLMZXRZGNUHW-KZNAEPCWSA-N 2 2 304.865 3.934 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccsc2C(F)(F)F)CC[N@@H+]1C ZINC000529527900 335100106 /nfs/dbraw/zinc/10/01/06/335100106.db2.gz GNNYKIRBQHYRJF-PWSUYJOCSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccsc2C(F)(F)F)CC[N@H+]1C ZINC000529527900 335100108 /nfs/dbraw/zinc/10/01/08/335100108.db2.gz GNNYKIRBQHYRJF-PWSUYJOCSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccsc2C(F)(F)F)CC[NH+]1C ZINC000529527900 335100110 /nfs/dbraw/zinc/10/01/10/335100110.db2.gz GNNYKIRBQHYRJF-PWSUYJOCSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)CC[NH+]1C ZINC000529527900 335100112 /nfs/dbraw/zinc/10/01/12/335100112.db2.gz GNNYKIRBQHYRJF-PWSUYJOCSA-N 2 2 306.397 3.681 20 0 DHADLP CC(C)C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000560154315 332315622 /nfs/dbraw/zinc/31/56/22/332315622.db2.gz MXNZLSYLUFGBGH-FQEVSTJZSA-N 2 2 318.505 3.644 20 0 DHADLP CC(C)C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000560154315 332315623 /nfs/dbraw/zinc/31/56/23/332315623.db2.gz MXNZLSYLUFGBGH-FQEVSTJZSA-N 2 2 318.505 3.644 20 0 DHADLP CC(C)C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000560154315 332315624 /nfs/dbraw/zinc/31/56/24/332315624.db2.gz MXNZLSYLUFGBGH-FQEVSTJZSA-N 2 2 318.505 3.644 20 0 DHADLP CC(C)C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000560154315 332315625 /nfs/dbraw/zinc/31/56/25/332315625.db2.gz MXNZLSYLUFGBGH-FQEVSTJZSA-N 2 2 318.505 3.644 20 0 DHADLP CC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000560171251 332316919 /nfs/dbraw/zinc/31/69/19/332316919.db2.gz KITGPXDRLQYCRW-FQEVSTJZSA-N 2 2 316.489 3.542 20 0 DHADLP CC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000560171251 332316921 /nfs/dbraw/zinc/31/69/21/332316921.db2.gz KITGPXDRLQYCRW-FQEVSTJZSA-N 2 2 316.489 3.542 20 0 DHADLP CC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000560171251 332316922 /nfs/dbraw/zinc/31/69/22/332316922.db2.gz KITGPXDRLQYCRW-FQEVSTJZSA-N 2 2 316.489 3.542 20 0 DHADLP CC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000560171251 332316924 /nfs/dbraw/zinc/31/69/24/332316924.db2.gz KITGPXDRLQYCRW-FQEVSTJZSA-N 2 2 316.489 3.542 20 0 DHADLP Cc1cc(N(C)Cc2[nH]cc[nH+]2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000428133649 335108955 /nfs/dbraw/zinc/10/89/55/335108955.db2.gz YOEFJINNEANIEI-UHFFFAOYSA-N 2 2 318.327 3.504 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427875514 332552033 /nfs/dbraw/zinc/55/20/33/332552033.db2.gz KCIVBEBWOGLZMD-WBMJQRKESA-N 2 2 301.821 3.519 20 0 DHADLP c1csc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCCC2)c1 ZINC000427877582 332552990 /nfs/dbraw/zinc/55/29/90/332552990.db2.gz PAOSAZHYYGWFOQ-WMLDXEAASA-N 2 2 301.459 3.781 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)cc(Cl)c1 ZINC000427883530 332554955 /nfs/dbraw/zinc/55/49/55/332554955.db2.gz FETDJORFZVDVHC-IINYFYTJSA-N 2 2 310.228 3.856 20 0 DHADLP CC[NH2+]CCC[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000569802112 332680751 /nfs/dbraw/zinc/68/07/51/332680751.db2.gz AQDBSJYSTLDBNI-LBPRGKRZSA-N 2 2 307.438 3.599 20 0 DHADLP CC(C)(C)c1nc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cs1 ZINC000103341027 332968765 /nfs/dbraw/zinc/96/87/65/332968765.db2.gz RTSCEMHBPFYCON-UHFFFAOYSA-N 2 2 309.523 3.839 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000188141525 333037792 /nfs/dbraw/zinc/03/77/92/333037792.db2.gz CTVQXDFGPLZFFD-WFASDCNBSA-N 2 2 312.379 3.635 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000188141525 333037793 /nfs/dbraw/zinc/03/77/93/333037793.db2.gz CTVQXDFGPLZFFD-WFASDCNBSA-N 2 2 312.379 3.635 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nccs1 ZINC000378927837 333064627 /nfs/dbraw/zinc/06/46/27/333064627.db2.gz VKKYACKGNFOJNE-HNNXBMFYSA-N 2 2 315.486 3.501 20 0 DHADLP [NH3+]CCC[N@H+](Cc1nc2ccccc2s1)Cc1ccccc1 ZINC000309753208 333193832 /nfs/dbraw/zinc/19/38/32/333193832.db2.gz OJSKGGQTWPZSSE-UHFFFAOYSA-N 2 2 311.454 3.647 20 0 DHADLP [NH3+]CCC[N@@H+](Cc1nc2ccccc2s1)Cc1ccccc1 ZINC000309753208 333193834 /nfs/dbraw/zinc/19/38/34/333193834.db2.gz OJSKGGQTWPZSSE-UHFFFAOYSA-N 2 2 311.454 3.647 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261927472 333290262 /nfs/dbraw/zinc/29/02/62/333290262.db2.gz IZMCUSINRBRJMG-TZMCWYRMSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000261927472 333290263 /nfs/dbraw/zinc/29/02/63/333290263.db2.gz IZMCUSINRBRJMG-TZMCWYRMSA-N 2 2 319.836 3.554 20 0 DHADLP CC(C)COCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120611914 333301135 /nfs/dbraw/zinc/30/11/35/333301135.db2.gz VYZCCKMBTPIOET-INIZCTEOSA-N 2 2 301.434 3.586 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000040226337 333341637 /nfs/dbraw/zinc/34/16/37/333341637.db2.gz MCGITXNUTXPNFU-GOEBONIOSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000040226337 333341638 /nfs/dbraw/zinc/34/16/38/333341638.db2.gz MCGITXNUTXPNFU-GOEBONIOSA-N 2 2 323.278 3.510 20 0 DHADLP C[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122307192 333394285 /nfs/dbraw/zinc/39/42/85/333394285.db2.gz RDHXTHRIVCCGLZ-MRXNPFEDSA-N 2 2 313.445 3.608 20 0 DHADLP Cc1ccc2ncc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2c1 ZINC000411176157 333640330 /nfs/dbraw/zinc/64/03/30/333640330.db2.gz SELNOZMRAVTIRW-UHFFFAOYSA-N 2 2 309.457 3.603 20 0 DHADLP Clc1scc(C[NH2+]CCCCn2cc[nH+]c2)c1Cl ZINC000571501884 333806762 /nfs/dbraw/zinc/80/67/62/333806762.db2.gz BLYSECIFUNTLIV-UHFFFAOYSA-N 2 2 304.246 3.821 20 0 DHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCc1cn(C)c[nH+]1 ZINC000414126712 333899243 /nfs/dbraw/zinc/89/92/43/333899243.db2.gz OVDTWCDXDYGUSY-SFHVURJKSA-N 2 2 313.445 3.590 20 0 DHADLP Fc1cncc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)c1 ZINC000343462804 335166595 /nfs/dbraw/zinc/16/65/95/335166595.db2.gz AWDICOQJLPFIOA-SFHVURJKSA-N 2 2 314.408 3.549 20 0 DHADLP COCC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414210602 333922198 /nfs/dbraw/zinc/92/21/98/333922198.db2.gz UOWANUFGOVDYBP-OAHLLOKOSA-N 2 2 324.896 3.567 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000343542974 335170936 /nfs/dbraw/zinc/17/09/36/335170936.db2.gz WKJLEQQQEKJGTK-CQSZACIVSA-N 2 2 316.474 3.617 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000343542974 335170937 /nfs/dbraw/zinc/17/09/37/335170937.db2.gz WKJLEQQQEKJGTK-CQSZACIVSA-N 2 2 316.474 3.617 20 0 DHADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000414802737 334102229 /nfs/dbraw/zinc/10/22/29/334102229.db2.gz VUURSZZYSAPFOP-CYBMUJFWSA-N 2 2 315.442 3.629 20 0 DHADLP c1cc(-c2n[nH]cc2C[NH2+]CC[NH2+]C2CCCCCC2)cs1 ZINC000414815522 334106851 /nfs/dbraw/zinc/10/68/51/334106851.db2.gz UMLLKLIYIVHUDJ-UHFFFAOYSA-N 2 2 318.490 3.540 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414816016 334106855 /nfs/dbraw/zinc/10/68/55/334106855.db2.gz YWGXLCPUCXVGOC-FVJLSDCUSA-N 3 2 323.484 3.631 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414816016 334106857 /nfs/dbraw/zinc/10/68/57/334106857.db2.gz YWGXLCPUCXVGOC-FVJLSDCUSA-N 3 2 323.484 3.631 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414820072 334107616 /nfs/dbraw/zinc/10/76/16/334107616.db2.gz ADUCJZZGCIUMRJ-SFHVURJKSA-N 2 2 310.441 3.512 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414827186 334110182 /nfs/dbraw/zinc/11/01/82/334110182.db2.gz GVJBRFGLCSKXFR-CXAGYDPISA-N 2 2 322.374 3.926 20 0 DHADLP [NH3+][C@H](C[NH2+]Cc1ccccc1OC1CCCC1)c1ccccc1 ZINC000414830901 334110539 /nfs/dbraw/zinc/11/05/39/334110539.db2.gz MLIVODKYJHOQDM-LJQANCHMSA-N 2 2 310.441 3.798 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](C[NH3+])C3CCCCC3)CC2)C1 ZINC000414835771 334111386 /nfs/dbraw/zinc/11/13/86/334111386.db2.gz HTSBOWGGSKOVEK-AHRSYUTCSA-N 3 2 321.553 3.527 20 0 DHADLP c1ccc([C@H]2C[C@@H](Nc3ccc4c(c3)CCC[NH2+]4)CC[NH2+]2)cc1 ZINC000414844740 334114202 /nfs/dbraw/zinc/11/42/02/334114202.db2.gz FBCQNTAGELAYIQ-AZUAARDMSA-N 2 2 307.441 3.950 20 0 DHADLP COc1cc(C)[nH+]c(CNc2ccc(Cl)c(C[NH+](C)C)c2)c1 ZINC000343666052 335181250 /nfs/dbraw/zinc/18/12/50/335181250.db2.gz XNRIZTBWGVCJNI-UHFFFAOYSA-N 2 2 319.836 3.726 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000292754680 334191847 /nfs/dbraw/zinc/19/18/47/334191847.db2.gz ITUQJHHSPQYUHE-RDTXWAMCSA-N 2 2 316.470 3.676 20 0 DHADLP Fc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415084471 334272810 /nfs/dbraw/zinc/27/28/10/334272810.db2.gz RITOCRLIWCICGK-AEFFLSMTSA-N 2 2 302.368 3.548 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)cs2)cc1 ZINC000414960954 334212456 /nfs/dbraw/zinc/21/24/56/334212456.db2.gz AYHWSUBNTFOASG-INIZCTEOSA-N 2 2 315.486 3.596 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000187828320 334274193 /nfs/dbraw/zinc/27/41/93/334274193.db2.gz OYVXSTINRFHBKM-OAHLLOKOSA-N 2 2 309.388 3.732 20 0 DHADLP c1cn(-c2csc(C[NH2+]Cc3cccc4c3CCCN4)c2)c[nH+]1 ZINC000415045490 334261277 /nfs/dbraw/zinc/26/12/77/334261277.db2.gz YMDLQHPQFYHVDM-UHFFFAOYSA-N 2 2 324.453 3.582 20 0 DHADLP FC(F)(F)c1ccc(Cl)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415070818 334262798 /nfs/dbraw/zinc/26/27/98/334262798.db2.gz RHHMIKPCAQABAR-UHFFFAOYSA-N 2 2 306.759 3.591 20 0 DHADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(F)c1 ZINC000415091337 334280242 /nfs/dbraw/zinc/28/02/42/334280242.db2.gz YXRUBTOSNSHCAI-WMZOPIPTSA-N 2 2 302.368 3.548 20 0 DHADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H]1c1ccccc1F ZINC000415128618 334285321 /nfs/dbraw/zinc/28/53/21/334285321.db2.gz SOBUHYSMQRIJPV-DOTOQJQBSA-N 2 2 320.358 3.690 20 0 DHADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1c1ccccc1F ZINC000415128618 334285322 /nfs/dbraw/zinc/28/53/22/334285322.db2.gz SOBUHYSMQRIJPV-DOTOQJQBSA-N 2 2 320.358 3.690 20 0 DHADLP CCCC(CCC)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415139892 334286918 /nfs/dbraw/zinc/28/69/18/334286918.db2.gz XLWYWGIVGOYUDU-UHFFFAOYSA-N 3 2 317.521 3.538 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000531949983 334304123 /nfs/dbraw/zinc/30/41/23/334304123.db2.gz BDCUEVGYZIRKLB-RISCZKNCSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000531949983 334304124 /nfs/dbraw/zinc/30/41/24/334304124.db2.gz BDCUEVGYZIRKLB-RISCZKNCSA-N 2 2 301.261 3.813 20 0 DHADLP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534944924 334349979 /nfs/dbraw/zinc/34/99/79/334349979.db2.gz LIRKGRRIUJGZDF-HZPDHXFCSA-N 2 2 315.486 3.780 20 0 DHADLP C[C@H](CCSc1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534944924 334349980 /nfs/dbraw/zinc/34/99/80/334349980.db2.gz LIRKGRRIUJGZDF-HZPDHXFCSA-N 2 2 315.486 3.780 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534973304 334351202 /nfs/dbraw/zinc/35/12/02/334351202.db2.gz ZDPILDCXPIFPOE-PJSAGSTRSA-N 2 2 304.865 3.790 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000534973304 334351203 /nfs/dbraw/zinc/35/12/03/334351203.db2.gz ZDPILDCXPIFPOE-PJSAGSTRSA-N 2 2 304.865 3.790 20 0 DHADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000531994696 334369393 /nfs/dbraw/zinc/36/93/93/334369393.db2.gz UWLQQGAKFQXIQZ-QMMLZNLJSA-N 2 2 308.469 3.553 20 0 DHADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000531994696 334369394 /nfs/dbraw/zinc/36/93/94/334369394.db2.gz UWLQQGAKFQXIQZ-QMMLZNLJSA-N 2 2 308.469 3.553 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000430582120 334396423 /nfs/dbraw/zinc/39/64/23/334396423.db2.gz KEEOYLVECVJRCA-DZGCQCFKSA-N 2 2 307.507 3.750 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000430582120 334396425 /nfs/dbraw/zinc/39/64/25/334396425.db2.gz KEEOYLVECVJRCA-DZGCQCFKSA-N 2 2 307.507 3.750 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3ccc(Cl)cc31)CCC2 ZINC000343095396 334599181 /nfs/dbraw/zinc/59/91/81/334599181.db2.gz JNTYLNBTNSOZPZ-YOEHRIQHSA-N 2 2 315.848 3.999 20 0 DHADLP CC(C)n1c[nH+]cc1CNc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000425338395 334801484 /nfs/dbraw/zinc/80/14/84/334801484.db2.gz PDYMQIWJXYMNTM-UHFFFAOYSA-N 2 2 306.841 3.791 20 0 DHADLP CC[C@H]1CCC[C@@H](C[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000344113360 335218287 /nfs/dbraw/zinc/21/82/87/335218287.db2.gz MFNVQJDMCFJRBV-DLBZAZTESA-N 2 2 310.526 3.682 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000344334627 335241899 /nfs/dbraw/zinc/24/18/99/335241899.db2.gz SOTZSBHQXNGNPT-DQYPLSBCSA-N 2 2 320.864 3.626 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@H]3CCOC4(CCCC4)C3)c2)c[nH+]1 ZINC000344357254 335244062 /nfs/dbraw/zinc/24/40/62/335244062.db2.gz NIOWGVNVXSRJCK-AWEZNQCLSA-N 2 2 317.458 3.515 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000165928573 335246866 /nfs/dbraw/zinc/24/68/66/335246866.db2.gz GVZPVLASDHJMBH-BBTUJRGHSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000165928573 335246867 /nfs/dbraw/zinc/24/68/67/335246867.db2.gz GVZPVLASDHJMBH-BBTUJRGHSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000344514410 335258066 /nfs/dbraw/zinc/25/80/66/335258066.db2.gz LBTKAIMRTZNJKF-KRWDZBQOSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000344514410 335258067 /nfs/dbraw/zinc/25/80/67/335258067.db2.gz LBTKAIMRTZNJKF-KRWDZBQOSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)CCC2 ZINC000344780493 335276803 /nfs/dbraw/zinc/27/68/03/335276803.db2.gz YKLJXUVTVMVBMC-IPMKNSEASA-N 2 2 309.457 3.995 20 0 DHADLP Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346180856 335378658 /nfs/dbraw/zinc/37/86/58/335378658.db2.gz QUUGWVDKQKEDTM-KRWDZBQOSA-N 2 2 312.442 3.609 20 0 DHADLP Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346180856 335378659 /nfs/dbraw/zinc/37/86/59/335378659.db2.gz QUUGWVDKQKEDTM-KRWDZBQOSA-N 2 2 312.442 3.609 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000346239429 335387302 /nfs/dbraw/zinc/38/73/02/335387302.db2.gz ARQKDCIMCGOVTM-GFCCVEGCSA-N 2 2 322.250 3.647 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)c1ccccc1Br ZINC000346239429 335387305 /nfs/dbraw/zinc/38/73/05/335387305.db2.gz ARQKDCIMCGOVTM-GFCCVEGCSA-N 2 2 322.250 3.647 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000346270303 335396561 /nfs/dbraw/zinc/39/65/61/335396561.db2.gz CYSYRXUEUAEEBL-SFHVURJKSA-N 2 2 303.425 3.611 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000346270303 335396563 /nfs/dbraw/zinc/39/65/63/335396563.db2.gz CYSYRXUEUAEEBL-SFHVURJKSA-N 2 2 303.425 3.611 20 0 DHADLP C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)C1 ZINC000346353737 335397374 /nfs/dbraw/zinc/39/73/74/335397374.db2.gz MTJLZARUVUQWTH-RHSMWYFYSA-N 2 2 301.459 3.946 20 0 DHADLP C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)C1 ZINC000346353737 335397376 /nfs/dbraw/zinc/39/73/76/335397376.db2.gz MTJLZARUVUQWTH-RHSMWYFYSA-N 2 2 301.459 3.946 20 0 DHADLP C[C@@H]([NH2+]CCN(C)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346540976 335419925 /nfs/dbraw/zinc/41/99/25/335419925.db2.gz ZVFDLAHKZXJZEI-QGZVFWFLSA-N 2 2 320.440 3.659 20 0 DHADLP CSc1cccc(F)c1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000348678651 335599376 /nfs/dbraw/zinc/59/93/76/335599376.db2.gz XXCLLGMSRBTDAA-UHFFFAOYSA-N 2 2 304.434 3.973 20 0 DHADLP CC(C)Oc1ccccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351549453 336042672 /nfs/dbraw/zinc/04/26/72/336042672.db2.gz AGKLXBSRZUPJML-UHFFFAOYSA-N 2 2 322.412 3.726 20 0 DHADLP Fc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c(Cl)c1 ZINC000351569772 336045742 /nfs/dbraw/zinc/04/57/42/336045742.db2.gz VXLFLGJENLZZPM-UHFFFAOYSA-N 2 2 316.767 3.731 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(C)(C)C)n2)C[C@H]1C ZINC000351685854 336058368 /nfs/dbraw/zinc/05/83/68/336058368.db2.gz GRCJQECVVLWDAA-WBVHZDCISA-N 2 2 319.493 3.564 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(C)(C)C)n2)C[C@H]1C ZINC000351685854 336058369 /nfs/dbraw/zinc/05/83/69/336058369.db2.gz GRCJQECVVLWDAA-WBVHZDCISA-N 2 2 319.493 3.564 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC(C)(C)C)n2)C[C@H]1C ZINC000351685854 336058371 /nfs/dbraw/zinc/05/83/71/336058371.db2.gz GRCJQECVVLWDAA-WBVHZDCISA-N 2 2 319.493 3.564 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC(C)(C)C)n2)C[C@H]1C ZINC000351685854 336058373 /nfs/dbraw/zinc/05/83/73/336058373.db2.gz GRCJQECVVLWDAA-WBVHZDCISA-N 2 2 319.493 3.564 20 0 DHADLP C[C@H](C[NH2+]C[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000526113780 336173944 /nfs/dbraw/zinc/17/39/44/336173944.db2.gz IEMAJNVJYODVQW-DNVCBOLYSA-N 2 2 300.421 3.822 20 0 DHADLP FC(F)C1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000352223813 336204135 /nfs/dbraw/zinc/20/41/35/336204135.db2.gz YDPLSOZMQQPLJK-UHFFFAOYSA-N 2 2 305.372 3.930 20 0 DHADLP CCC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352251403 336206975 /nfs/dbraw/zinc/20/69/75/336206975.db2.gz QWODRANPKKRTSB-INIZCTEOSA-N 2 2 303.475 3.836 20 0 DHADLP CCc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000352355404 336213811 /nfs/dbraw/zinc/21/38/11/336213811.db2.gz CKTGAOVEEKQHMB-UHFFFAOYSA-N 2 2 310.441 3.996 20 0 DHADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cn1 ZINC000352719416 336232367 /nfs/dbraw/zinc/23/23/67/336232367.db2.gz JZEVKBNPIWGWNG-HNNXBMFYSA-N 2 2 302.397 3.549 20 0 DHADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000352749274 336234609 /nfs/dbraw/zinc/23/46/09/336234609.db2.gz LUXPREGGBMLMHB-UHFFFAOYSA-N 2 2 319.474 3.647 20 0 DHADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1F ZINC000352806848 336242650 /nfs/dbraw/zinc/24/26/50/336242650.db2.gz AHNUWSBKQPGZEO-UUWFMWQGSA-N 2 2 308.416 3.878 20 0 DHADLP CCC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1F ZINC000352806848 336242651 /nfs/dbraw/zinc/24/26/51/336242651.db2.gz AHNUWSBKQPGZEO-UUWFMWQGSA-N 2 2 308.416 3.878 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCS2 ZINC000532448482 336247867 /nfs/dbraw/zinc/24/78/67/336247867.db2.gz SEADWWZIRGXFQZ-HNNXBMFYSA-N 2 2 305.422 3.629 20 0 DHADLP Clc1cccc2c1OCCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000532447786 336247935 /nfs/dbraw/zinc/24/79/35/336247935.db2.gz LSEFJQANCWDUGH-MRXNPFEDSA-N 2 2 319.836 3.820 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532530523 336253780 /nfs/dbraw/zinc/25/37/80/336253780.db2.gz XOLLUQWOYULYFO-UONOGXRCSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532530523 336253781 /nfs/dbraw/zinc/25/37/81/336253781.db2.gz XOLLUQWOYULYFO-UONOGXRCSA-N 2 2 314.395 3.568 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CCC([NH+]2CCCCC2)CC1 ZINC000526953132 336276368 /nfs/dbraw/zinc/27/63/68/336276368.db2.gz IQTBBIJEQAJJDG-UHFFFAOYSA-N 2 2 309.457 3.998 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352855712 336280895 /nfs/dbraw/zinc/28/08/95/336280895.db2.gz YSSPWRAGWMVJMZ-LBPRGKRZSA-N 2 2 321.515 3.777 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000352857270 336281675 /nfs/dbraw/zinc/28/16/75/336281675.db2.gz YEUHJKYYLTZPSV-UHFFFAOYSA-N 2 2 322.537 3.968 20 0 DHADLP Cc1cc(NC2CC[NH+](CC3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000301063104 336287931 /nfs/dbraw/zinc/28/79/31/336287931.db2.gz CEEMXGQSEUVFCI-UHFFFAOYSA-N 2 2 316.493 3.975 20 0 DHADLP CCc1ccc([C@@H](CNc2cc[nH+]c(C3CC3)n2)[NH+](C)C)cc1 ZINC000301221284 336295403 /nfs/dbraw/zinc/29/54/03/336295403.db2.gz AHBMDLBQUDLEOH-QGZVFWFLSA-N 2 2 310.445 3.631 20 0 DHADLP Cc1cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc[nH+]1 ZINC000301225057 336295592 /nfs/dbraw/zinc/29/55/92/336295592.db2.gz CZQKYOJNLCXDQW-UHFFFAOYSA-N 2 2 316.836 3.515 20 0 DHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000301286840 336298857 /nfs/dbraw/zinc/29/88/57/336298857.db2.gz ZPBWMYOOEOSYIG-GASCZTMLSA-N 2 2 302.466 3.524 20 0 DHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000301286840 336298858 /nfs/dbraw/zinc/29/88/58/336298858.db2.gz ZPBWMYOOEOSYIG-GASCZTMLSA-N 2 2 302.466 3.524 20 0 DHADLP Cc1cccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000301290649 336298979 /nfs/dbraw/zinc/29/89/79/336298979.db2.gz QEFZVNIZFWLRCF-UHFFFAOYSA-N 2 2 315.848 3.756 20 0 DHADLP Cc1cccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000301290649 336298980 /nfs/dbraw/zinc/29/89/80/336298980.db2.gz QEFZVNIZFWLRCF-UHFFFAOYSA-N 2 2 315.848 3.756 20 0 DHADLP Cn1c(CCCNc2cc[nH+]cc2Cl)[nH+]c2ccccc21 ZINC000301600878 336317642 /nfs/dbraw/zinc/31/76/42/336317642.db2.gz ZFWLVZDPXMCMBD-UHFFFAOYSA-N 2 2 300.793 3.666 20 0 DHADLP c1ccc2[nH+]c(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)[nH]c2c1 ZINC000301867336 336335209 /nfs/dbraw/zinc/33/52/09/336335209.db2.gz HPFMTEFWECAVOI-INIZCTEOSA-N 2 2 312.461 3.655 20 0 DHADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000301904724 336337515 /nfs/dbraw/zinc/33/75/15/336337515.db2.gz YGUPYQNMBDOKDV-CYBMUJFWSA-N 2 2 319.811 3.757 20 0 DHADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000301904725 336337521 /nfs/dbraw/zinc/33/75/21/336337521.db2.gz YGUPYQNMBDOKDV-ZDUSSCGKSA-N 2 2 319.811 3.757 20 0 DHADLP CCC[NH+]1CCC(Nc2c(C)c[nH+]c3c(OC)cccc23)CC1 ZINC000302712540 336366119 /nfs/dbraw/zinc/36/61/19/336366119.db2.gz LUMKNQUSBNXQOU-UHFFFAOYSA-N 2 2 313.445 3.838 20 0 DHADLP CC(C)c1nc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000302788919 336369261 /nfs/dbraw/zinc/36/92/61/336369261.db2.gz XQEUIHREGHTSGP-GJZGRUSLSA-N 2 2 318.509 3.674 20 0 DHADLP CC(C)c1nc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000302788919 336369262 /nfs/dbraw/zinc/36/92/62/336369262.db2.gz XQEUIHREGHTSGP-GJZGRUSLSA-N 2 2 318.509 3.674 20 0 DHADLP CC(C)c1nc(NCC2CC[NH+](C)CC2)cc(C(C)(C)C)[nH+]1 ZINC000302872263 336372740 /nfs/dbraw/zinc/37/27/40/336372740.db2.gz BZKYGHVPTXGZKW-UHFFFAOYSA-N 2 2 304.482 3.651 20 0 DHADLP Cc1cccc(CCC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000352920810 336377128 /nfs/dbraw/zinc/37/71/28/336377128.db2.gz ATYDJSUPYMEJED-GHTZIAJQSA-N 2 2 323.484 3.748 20 0 DHADLP Cc1cccc(CCC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000352920810 336377129 /nfs/dbraw/zinc/37/71/29/336377129.db2.gz ATYDJSUPYMEJED-GHTZIAJQSA-N 2 2 323.484 3.748 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000563933798 336385680 /nfs/dbraw/zinc/38/56/80/336385680.db2.gz VPNLQBNGRNUIGK-QFBILLFUSA-N 2 2 316.489 3.623 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000563933798 336385681 /nfs/dbraw/zinc/38/56/81/336385681.db2.gz VPNLQBNGRNUIGK-QFBILLFUSA-N 2 2 316.489 3.623 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@H]3COC(C)(C)C3)ccc2n1C1CC1 ZINC000418040164 336397808 /nfs/dbraw/zinc/39/78/08/336397808.db2.gz IMQOGAREHSNLLW-CQSZACIVSA-N 2 2 313.445 3.591 20 0 DHADLP FC(F)(F)C1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC000353093716 336400470 /nfs/dbraw/zinc/40/04/70/336400470.db2.gz IMSUMRVVTGXDTC-UHFFFAOYSA-N 2 2 315.364 3.756 20 0 DHADLP CCCCOc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000353927120 336449157 /nfs/dbraw/zinc/44/91/57/336449157.db2.gz UEEYKOHWSORXJF-UHFFFAOYSA-N 2 2 313.445 3.968 20 0 DHADLP COc1cccc(F)c1[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354353430 336467753 /nfs/dbraw/zinc/46/77/53/336467753.db2.gz UMQOHJXWWUNCOF-CQSZACIVSA-N 2 2 302.393 3.821 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000354636290 336477231 /nfs/dbraw/zinc/47/72/31/336477231.db2.gz SCZICKOAEKGPGQ-RNJOBUHISA-N 2 2 321.877 3.695 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccncc2)c(C)c1 ZINC000358341264 336624922 /nfs/dbraw/zinc/62/49/22/336624922.db2.gz AIYCMZXXMYLSSB-PXNSSMCTSA-N 2 2 320.440 3.987 20 0 DHADLP CS[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000358768232 336642642 /nfs/dbraw/zinc/64/26/42/336642642.db2.gz FYSGUQLLOZSLJJ-SJORKVTESA-N 2 2 324.921 3.788 20 0 DHADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000359443164 336673289 /nfs/dbraw/zinc/67/32/89/336673289.db2.gz ATTSBYNPDOOBPD-UHFFFAOYSA-N 2 2 319.811 3.505 20 0 DHADLP Cc1cc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)nc(C(C)C)[nH+]1 ZINC000359465343 336674100 /nfs/dbraw/zinc/67/41/00/336674100.db2.gz IWAGQLHUEWJYKO-ZACQAIPSSA-N 2 2 316.493 3.750 20 0 DHADLP Cc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000359474756 336674388 /nfs/dbraw/zinc/67/43/88/336674388.db2.gz QRASAPHBAFOIPY-AWEZNQCLSA-N 2 2 317.383 3.551 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+]CCCC3CCCC3)CC2)nc1 ZINC000359661194 336682082 /nfs/dbraw/zinc/68/20/82/336682082.db2.gz MTGZVBRZOIDCCI-UHFFFAOYSA-N 2 2 301.478 3.606 20 0 DHADLP Fc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000360078454 336700785 /nfs/dbraw/zinc/70/07/85/336700785.db2.gz HUMCMTNVDHVACD-HXUWFJFHSA-N 2 2 321.399 3.848 20 0 DHADLP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1(C)C ZINC000361240018 336746324 /nfs/dbraw/zinc/74/63/24/336746324.db2.gz ZNERXNRMHJQELY-ZWKOTPCHSA-N 2 2 313.445 3.554 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000361287886 336748612 /nfs/dbraw/zinc/74/86/12/336748612.db2.gz LSYNSOGREBLASS-HOTGVXAUSA-N 2 2 315.461 3.624 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000361328764 336751454 /nfs/dbraw/zinc/75/14/54/336751454.db2.gz QSJYBKGIJWOOFN-WBVHZDCISA-N 2 2 315.461 3.530 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000361328486 336751469 /nfs/dbraw/zinc/75/14/69/336751469.db2.gz MNPDOLMFPUQOGZ-AWEZNQCLSA-N 2 2 311.433 3.589 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361493217 336759087 /nfs/dbraw/zinc/75/90/87/336759087.db2.gz QPSBJXOPNDGECK-HNNXBMFYSA-N 2 2 307.397 3.732 20 0 DHADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)ccn1 ZINC000361768822 336772277 /nfs/dbraw/zinc/77/22/77/336772277.db2.gz RXOJVYZCJHIKBI-CMKODMSKSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)c2ccccc21 ZINC000361973138 336780615 /nfs/dbraw/zinc/78/06/15/336780615.db2.gz WGDUXHHWGPMEBZ-FHLIZLRMSA-N 2 2 304.503 3.652 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)c1ccc(Cl)cc1 ZINC000369390820 336863851 /nfs/dbraw/zinc/86/38/51/336863851.db2.gz FKLNFLAQMZHIDQ-HOTGVXAUSA-N 2 2 303.837 3.901 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)c1cccc(Cl)c1 ZINC000369881051 336873531 /nfs/dbraw/zinc/87/35/31/336873531.db2.gz DXJIICJMIDHJPD-CVEARBPZSA-N 2 2 303.837 3.901 20 0 DHADLP CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000370651316 336889690 /nfs/dbraw/zinc/88/96/90/336889690.db2.gz JLNPJQOXAAHRED-MRXNPFEDSA-N 2 2 322.412 3.664 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1C ZINC000371734892 336911660 /nfs/dbraw/zinc/91/16/60/336911660.db2.gz HPMHDVUHRHDDIP-WBVHZDCISA-N 2 2 313.445 3.737 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1C ZINC000371734891 336911684 /nfs/dbraw/zinc/91/16/84/336911684.db2.gz HPMHDVUHRHDDIP-RDJZCZTQSA-N 2 2 313.445 3.737 20 0 DHADLP Fc1ccccc1C1([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000373187783 336951014 /nfs/dbraw/zinc/95/10/14/336951014.db2.gz XMJKCFJKQBQQEU-UHFFFAOYSA-N 2 2 302.437 3.811 20 0 DHADLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1OC ZINC000373519944 336963600 /nfs/dbraw/zinc/96/36/00/336963600.db2.gz HBLKZKJMSYTHJP-LEOMRAHMSA-N 2 2 302.462 3.753 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@H](c3ncccc3C)C1)C2 ZINC000374225793 336984276 /nfs/dbraw/zinc/98/42/76/336984276.db2.gz SIIKMWRFUNAWEW-BZSNNMDCSA-N 2 2 324.472 3.526 20 0 DHADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000374659954 336994422 /nfs/dbraw/zinc/99/44/22/336994422.db2.gz RDGXXDQFRUXVEO-AWEZNQCLSA-N 2 2 317.864 3.636 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cnn(C(C)C)c1C)CCC2 ZINC000375484186 337011846 /nfs/dbraw/zinc/01/18/46/337011846.db2.gz NOVUURRBKPFBGW-HOCLYGCPSA-N 2 2 315.465 3.506 20 0 DHADLP CCCCCC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375515543 337012553 /nfs/dbraw/zinc/01/25/53/337012553.db2.gz SMURFGRUWGFMOE-PBHICJAKSA-N 2 2 309.523 3.832 20 0 DHADLP CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375515543 337012554 /nfs/dbraw/zinc/01/25/54/337012554.db2.gz SMURFGRUWGFMOE-PBHICJAKSA-N 2 2 309.523 3.832 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1ccc(Oc3ccccc3)o1)C2 ZINC000375850667 337021463 /nfs/dbraw/zinc/02/14/63/337021463.db2.gz PYYVAUGRMWOZIB-HNNXBMFYSA-N 2 2 323.396 3.681 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000376690508 337039647 /nfs/dbraw/zinc/03/96/47/337039647.db2.gz QDLDSKABVQIXKD-UFYCRDLUSA-N 2 2 309.457 3.815 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000376690508 337039648 /nfs/dbraw/zinc/03/96/48/337039648.db2.gz QDLDSKABVQIXKD-UFYCRDLUSA-N 2 2 309.457 3.815 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000377632976 337056932 /nfs/dbraw/zinc/05/69/32/337056932.db2.gz YOTOONPHIZWATQ-UHFFFAOYSA-N 2 2 322.452 3.844 20 0 DHADLP C[N@H+](Cc1cnc(C2CCCC2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377632722 337057011 /nfs/dbraw/zinc/05/70/11/337057011.db2.gz WELODBAYIFYGKA-XYPWUTKMSA-N 2 2 319.518 3.858 20 0 DHADLP C[N@@H+](Cc1cnc(C2CCCC2)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377632722 337057012 /nfs/dbraw/zinc/05/70/12/337057012.db2.gz WELODBAYIFYGKA-XYPWUTKMSA-N 2 2 319.518 3.858 20 0 DHADLP C[NH+](Cc1cnc(C2CCCC2)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377632722 337057013 /nfs/dbraw/zinc/05/70/13/337057013.db2.gz WELODBAYIFYGKA-XYPWUTKMSA-N 2 2 319.518 3.858 20 0 DHADLP C[NH+](Cc1cnc(C2CCCC2)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377632722 337057014 /nfs/dbraw/zinc/05/70/14/337057014.db2.gz WELODBAYIFYGKA-XYPWUTKMSA-N 2 2 319.518 3.858 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1c3ccccc3-c3ccccc31)C2 ZINC000377798796 337061316 /nfs/dbraw/zinc/06/13/16/337061316.db2.gz MVFYKLFMJGYUBB-ZDUSSCGKSA-N 2 2 301.393 3.627 20 0 DHADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]C1c3ccccc3-c3ccccc31)CC2 ZINC000377798796 337061317 /nfs/dbraw/zinc/06/13/17/337061317.db2.gz MVFYKLFMJGYUBB-ZDUSSCGKSA-N 2 2 301.393 3.627 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)ccc1Cl ZINC000377799223 337061377 /nfs/dbraw/zinc/06/13/77/337061377.db2.gz RZKCKUYTQZSPSA-ONGXEEELSA-N 2 2 310.228 3.925 20 0 DHADLP Cc1cccc(C[N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)c1C ZINC000377920498 337063961 /nfs/dbraw/zinc/06/39/61/337063961.db2.gz PHIHSCCDYZNDKU-UHFFFAOYSA-N 2 2 323.484 3.795 20 0 DHADLP Cc1cccc(C[N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)c1C ZINC000377920498 337063962 /nfs/dbraw/zinc/06/39/62/337063962.db2.gz PHIHSCCDYZNDKU-UHFFFAOYSA-N 2 2 323.484 3.795 20 0 DHADLP c1cn(CCC[NH2+][C@@H]2CCCOc3c4ccccc4ccc32)c[nH+]1 ZINC000378189875 337068036 /nfs/dbraw/zinc/06/80/36/337068036.db2.gz AEBOMKOUGZOHQB-LJQANCHMSA-N 2 2 321.424 3.930 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cs1 ZINC000378513560 337074856 /nfs/dbraw/zinc/07/48/56/337074856.db2.gz BUIOZXWEFATREF-OWQGQXMQSA-N 2 2 315.486 3.795 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cs1 ZINC000378513560 337074857 /nfs/dbraw/zinc/07/48/57/337074857.db2.gz BUIOZXWEFATREF-OWQGQXMQSA-N 2 2 315.486 3.795 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3cc(Cl)ccc31)CCC2 ZINC000360078699 337085125 /nfs/dbraw/zinc/08/51/25/337085125.db2.gz KBGUENGNIYEYJL-RHSMWYFYSA-N 2 2 315.848 3.999 20 0 DHADLP CC(C)n1cc[nH+]c1CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000172152547 337090104 /nfs/dbraw/zinc/09/01/04/337090104.db2.gz LLPKOBUWGHCUHF-ZWKOTPCHSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1cc[nH+]c1CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000172152547 337090105 /nfs/dbraw/zinc/09/01/05/337090105.db2.gz LLPKOBUWGHCUHF-ZWKOTPCHSA-N 2 2 318.509 3.550 20 0 DHADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CCC2 ZINC000582606313 337112865 /nfs/dbraw/zinc/11/28/65/337112865.db2.gz NUXVVJHCYXBBTG-DYVFJYSZSA-N 2 2 301.459 3.661 20 0 DHADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000582644616 337119922 /nfs/dbraw/zinc/11/99/22/337119922.db2.gz LQXATVFPHNHDAX-UXHICEINSA-N 2 2 324.468 3.965 20 0 DHADLP CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000173865510 337138673 /nfs/dbraw/zinc/13/86/73/337138673.db2.gz ZDOGAHNORGOSHS-MSOLQXFVSA-N 2 2 315.486 3.978 20 0 DHADLP CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000173865510 337138674 /nfs/dbraw/zinc/13/86/74/337138674.db2.gz ZDOGAHNORGOSHS-MSOLQXFVSA-N 2 2 315.486 3.978 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177934167 337159164 /nfs/dbraw/zinc/15/91/64/337159164.db2.gz XCGSWFYUVBEXAI-INIZCTEOSA-N 2 2 321.424 3.791 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccoc1 ZINC000178245451 337161594 /nfs/dbraw/zinc/16/15/94/337161594.db2.gz CXAIVMNNRBVPQL-CQSZACIVSA-N 2 2 302.393 3.734 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1OC(F)F ZINC000178414740 337164511 /nfs/dbraw/zinc/16/45/11/337164511.db2.gz SREHRQPPOZBFAJ-LBPRGKRZSA-N 2 2 316.367 3.564 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000180405692 337174132 /nfs/dbraw/zinc/17/41/32/337174132.db2.gz NBFIVQAOFHKDLE-QGZVFWFLSA-N 2 2 320.452 3.890 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)[nH+]c2c1 ZINC000460938908 337193241 /nfs/dbraw/zinc/19/32/41/337193241.db2.gz RDHKAPZQAWVLDG-LPHOPBHVSA-N 2 2 309.457 3.772 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)[nH+]c2c1 ZINC000460938908 337193242 /nfs/dbraw/zinc/19/32/42/337193242.db2.gz RDHKAPZQAWVLDG-LPHOPBHVSA-N 2 2 309.457 3.772 20 0 DHADLP c1cncc(C[NH+]2CCC([NH2+]CCC3=CCCCCC3)CC2)c1 ZINC000184575309 337198599 /nfs/dbraw/zinc/19/85/99/337198599.db2.gz DPCQFYDBYNUAQT-UHFFFAOYSA-N 2 2 313.489 3.916 20 0 DHADLP FC(F)(F)C1CCC(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000185505454 337248616 /nfs/dbraw/zinc/24/86/16/337248616.db2.gz BRMBTOHUTAOTOK-UHFFFAOYSA-N 2 2 315.383 3.889 20 0 DHADLP CSc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)s1 ZINC000583175669 337254623 /nfs/dbraw/zinc/25/46/23/337254623.db2.gz XFLRITNXQQTGAK-CQSZACIVSA-N 2 2 310.532 3.634 20 0 DHADLP CSc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)s1 ZINC000583175669 337254624 /nfs/dbraw/zinc/25/46/24/337254624.db2.gz XFLRITNXQQTGAK-CQSZACIVSA-N 2 2 310.532 3.634 20 0 DHADLP CSc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000583175669 337254625 /nfs/dbraw/zinc/25/46/25/337254625.db2.gz XFLRITNXQQTGAK-CQSZACIVSA-N 2 2 310.532 3.634 20 0 DHADLP CSc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000583175669 337254626 /nfs/dbraw/zinc/25/46/26/337254626.db2.gz XFLRITNXQQTGAK-CQSZACIVSA-N 2 2 310.532 3.634 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCSCC1 ZINC000187059330 337261565 /nfs/dbraw/zinc/26/15/65/337261565.db2.gz QAFAMVIRWVFSQT-CYBMUJFWSA-N 2 2 319.449 3.633 20 0 DHADLP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000188420750 337273287 /nfs/dbraw/zinc/27/32/87/337273287.db2.gz YLVSBOMQEPYWFS-NRXISQOPSA-N 2 2 315.383 3.716 20 0 DHADLP FC(F)(F)C1CCC(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000188420750 337273288 /nfs/dbraw/zinc/27/32/88/337273288.db2.gz YLVSBOMQEPYWFS-NRXISQOPSA-N 2 2 315.383 3.716 20 0 DHADLP Cc1cccc2nc(C3CC[NH+](CCCn4cc[nH+]c4)CC3)oc21 ZINC000189801428 337283066 /nfs/dbraw/zinc/28/30/66/337283066.db2.gz PGLVEXFUECGMBO-UHFFFAOYSA-N 2 2 324.428 3.602 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000191435397 337296921 /nfs/dbraw/zinc/29/69/21/337296921.db2.gz UFMYJTTWGQWYLG-OAHLLOKOSA-N 2 2 307.397 3.737 20 0 DHADLP CCN(C)c1ccc(CNc2ccc(C)cc2C[NH+](C)C)c[nH+]1 ZINC000191431375 337296986 /nfs/dbraw/zinc/29/69/86/337296986.db2.gz IJEPCVLEHLEBJA-UHFFFAOYSA-N 2 2 312.461 3.520 20 0 DHADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000192119243 337302874 /nfs/dbraw/zinc/30/28/74/337302874.db2.gz HFRXAFBBRQSFHG-DYVFJYSZSA-N 2 2 319.836 3.628 20 0 DHADLP COc1ccc(Cl)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000192119243 337302875 /nfs/dbraw/zinc/30/28/75/337302875.db2.gz HFRXAFBBRQSFHG-DYVFJYSZSA-N 2 2 319.836 3.628 20 0 DHADLP CSCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192107824 337303027 /nfs/dbraw/zinc/30/30/27/337303027.db2.gz QSZIYVBOKBDUST-OAHLLOKOSA-N 2 2 303.475 3.754 20 0 DHADLP CSCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192107824 337303028 /nfs/dbraw/zinc/30/30/28/337303028.db2.gz QSZIYVBOKBDUST-OAHLLOKOSA-N 2 2 303.475 3.754 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000583839140 337340802 /nfs/dbraw/zinc/34/08/02/337340802.db2.gz VEKAURKWMXBKLK-PXNSSMCTSA-N 2 2 310.441 3.785 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000583839140 337340803 /nfs/dbraw/zinc/34/08/03/337340803.db2.gz VEKAURKWMXBKLK-PXNSSMCTSA-N 2 2 310.441 3.785 20 0 DHADLP [NH3+]CCC[N@H+](Cc1cc(-c2ccccc2)no1)Cc1ccccc1 ZINC000336725948 337398758 /nfs/dbraw/zinc/39/87/58/337398758.db2.gz SGEPIORRNZEEOG-UHFFFAOYSA-N 2 2 321.424 3.693 20 0 DHADLP [NH3+]CCC[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1ccccc1 ZINC000336725948 337398759 /nfs/dbraw/zinc/39/87/59/337398759.db2.gz SGEPIORRNZEEOG-UHFFFAOYSA-N 2 2 321.424 3.693 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1nc2c(s1)CCCC2 ZINC000246553735 337553556 /nfs/dbraw/zinc/55/35/56/337553556.db2.gz WRVUQUUJGAPBLR-MELADBBJSA-N 2 2 307.507 3.545 20 0 DHADLP C[C@@H]([NH2+][C@H](COCc1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422788628 337685365 /nfs/dbraw/zinc/68/53/65/337685365.db2.gz SNINUBIDHCKKOB-DUXKGJEZSA-N 2 2 324.468 3.675 20 0 DHADLP CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422773771 337685968 /nfs/dbraw/zinc/68/59/68/337685968.db2.gz ZECWQZOSKPRMJV-NZSAHSFTSA-N 3 2 317.521 3.613 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)c2ccccc21 ZINC000422778079 337686112 /nfs/dbraw/zinc/68/61/12/337686112.db2.gz HEOSDEZYUUXHOD-WCIQWLHISA-N 2 2 308.425 3.641 20 0 DHADLP COc1ccc(-c2csc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422816546 337687874 /nfs/dbraw/zinc/68/78/74/337687874.db2.gz ARKLEQJJYPSBQX-ACJLOTCBSA-N 2 2 316.470 3.654 20 0 DHADLP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1Cl ZINC000422925712 337691800 /nfs/dbraw/zinc/69/18/00/337691800.db2.gz BLVVQEVZUULCFW-HOTGVXAUSA-N 2 2 302.805 3.583 20 0 DHADLP C[C@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)[C@H]1CCC[NH2+]1 ZINC000422982276 337693595 /nfs/dbraw/zinc/69/35/95/337693595.db2.gz QDMCPRCAZULNJT-USXIJHARSA-N 2 2 300.471 3.762 20 0 DHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000422967029 337695219 /nfs/dbraw/zinc/69/52/19/337695219.db2.gz SBMJCFAOTBQCFA-MGPUTAFESA-N 2 2 321.424 3.882 20 0 DHADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423059494 337697770 /nfs/dbraw/zinc/69/77/70/337697770.db2.gz MCKZAIMZGMEBDU-OALUTQOASA-N 2 2 309.457 3.766 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Oc2cccnc2)cc1 ZINC000423118593 337700512 /nfs/dbraw/zinc/70/05/12/337700512.db2.gz BLFNJFBKINSUCL-ZRGWGRIASA-N 2 2 311.429 3.665 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423187628 337703022 /nfs/dbraw/zinc/70/30/22/337703022.db2.gz KXYJFQUPDMATLO-LPHOPBHVSA-N 2 2 310.441 3.668 20 0 DHADLP COc1ccc([C@@H](Nc2ccc3c(c2)CC[NH2+]3)[C@@H]2CCC[NH2+]2)cc1 ZINC000423218903 337705169 /nfs/dbraw/zinc/70/51/69/337705169.db2.gz SJKVATKKAUPBLT-VQTJNVASSA-N 2 2 323.440 3.568 20 0 DHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(C2CC2)c1 ZINC000423229676 337705887 /nfs/dbraw/zinc/70/58/87/337705887.db2.gz HPRAZBOMWSVVNM-OAHLLOKOSA-N 2 2 322.456 3.542 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H]3CCC[NH2+]3)cs2)cs1 ZINC000423237203 337706414 /nfs/dbraw/zinc/70/64/14/337706414.db2.gz POXUWIBZRSPCNT-GWCFXTLKSA-N 2 2 307.488 3.583 20 0 DHADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423247748 337707197 /nfs/dbraw/zinc/70/71/97/337707197.db2.gz PJDCRUKWJJFOSS-GFCCVEGCSA-N 2 2 308.372 3.701 20 0 DHADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423261820 337708014 /nfs/dbraw/zinc/70/80/14/337708014.db2.gz KZEIHEUAEAFRLX-DZGCQCFKSA-N 2 2 303.475 3.834 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000423264691 337708175 /nfs/dbraw/zinc/70/81/75/337708175.db2.gz QCKDAQMFTGXCLL-QWHCGFSZSA-N 2 2 300.393 3.620 20 0 DHADLP [NH3+]C[C@H]([NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21)C1CC1 ZINC000423277541 337709005 /nfs/dbraw/zinc/70/90/05/337709005.db2.gz OLBOTDNMOGULNI-ZJUUUORDSA-N 2 2 305.274 3.759 20 0 DHADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423287199 337709576 /nfs/dbraw/zinc/70/95/76/337709576.db2.gz KURNJBUJXOPVDE-ZDUSSCGKSA-N 2 2 303.475 3.978 20 0 DHADLP CCC[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000423311123 337711372 /nfs/dbraw/zinc/71/13/72/337711372.db2.gz PHIVIIKNYLAJKN-CYBMUJFWSA-N 2 2 303.475 3.769 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1nc(-c2ccccc2)cs1 ZINC000423358278 337714247 /nfs/dbraw/zinc/71/42/47/337714247.db2.gz JFOLAPMISQJFDO-DZGCQCFKSA-N 2 2 301.459 3.603 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000423385571 337718090 /nfs/dbraw/zinc/71/80/90/337718090.db2.gz RCDHWKWLYIQHLN-NFAWXSAZSA-N 2 2 301.459 3.601 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(Cl)c1 ZINC000423507286 337723729 /nfs/dbraw/zinc/72/37/29/337723729.db2.gz IFSLIKPJLASRHS-JEBQAFNWSA-N 2 2 300.833 3.746 20 0 DHADLP CCC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccsc1 ZINC000423531943 337724601 /nfs/dbraw/zinc/72/46/01/337724601.db2.gz QQABROYAEKZZLV-OKZBNKHCSA-N 2 2 300.471 3.935 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423573179 337725735 /nfs/dbraw/zinc/72/57/35/337725735.db2.gz ZCHIBALGDGGZPN-BBRMVZONSA-N 2 2 315.486 3.911 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423573181 337725750 /nfs/dbraw/zinc/72/57/50/337725750.db2.gz ZCHIBALGDGGZPN-CZUORRHYSA-N 2 2 315.486 3.911 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ncccc1F ZINC000527827390 337767303 /nfs/dbraw/zinc/76/73/03/337767303.db2.gz DKEPLSADLBHUSP-AWEZNQCLSA-N 2 2 305.441 3.668 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CC12CC2 ZINC000527845189 337768373 /nfs/dbraw/zinc/76/83/73/337768373.db2.gz CRGNWZOSPYRVBN-RDTXWAMCSA-N 2 2 302.437 3.568 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1nc2c(s1)CCCC2 ZINC000091733569 337894875 /nfs/dbraw/zinc/89/48/75/337894875.db2.gz WRVUQUUJGAPBLR-IHRRRGAJSA-N 2 2 307.507 3.545 20 0 DHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000121759153 337898704 /nfs/dbraw/zinc/89/87/04/337898704.db2.gz ARPAOPDUJTVJFU-SFHVURJKSA-N 2 2 313.445 3.900 20 0 DHADLP CCSCC[NH+]1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000093300589 337914604 /nfs/dbraw/zinc/91/46/04/337914604.db2.gz NMVNXDFCVOXENP-UHFFFAOYSA-N 2 2 317.502 3.989 20 0 DHADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cc(C)ccc1OC ZINC000093372515 337915729 /nfs/dbraw/zinc/91/57/29/337915729.db2.gz AMEAOJRKQZXROU-GOSISDBHSA-N 2 2 323.440 3.935 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000428363993 338048901 /nfs/dbraw/zinc/04/89/01/338048901.db2.gz RMYWFZKTEZUMLF-CQSZACIVSA-N 2 2 324.428 3.972 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)o1 ZINC000428441752 338051678 /nfs/dbraw/zinc/05/16/78/338051678.db2.gz QVZHZFNRYHBCMF-IRXDYDNUSA-N 2 2 321.509 3.926 20 0 DHADLP Fc1ccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000428470966 338053887 /nfs/dbraw/zinc/05/38/87/338053887.db2.gz ULBRHBYZHICZKG-UHFFFAOYSA-N 2 2 307.800 3.555 20 0 DHADLP CC1(C)CC([NH2+]Cc2nc3ccc(F)cc3s2)CC(C)(C)[NH2+]1 ZINC000428858655 338062646 /nfs/dbraw/zinc/06/26/46/338062646.db2.gz YUPOFWGDXSYHIH-UHFFFAOYSA-N 2 2 321.465 3.834 20 0 DHADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3cccc(Cl)c3Cl)C2)C1 ZINC000429036021 338069473 /nfs/dbraw/zinc/06/94/73/338069473.db2.gz ORUUCUDMLZCVCC-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[N@H+]1CC[C@@]2(CC[NH+](CCc3cccc(Cl)c3Cl)C2)C1 ZINC000429036021 338069474 /nfs/dbraw/zinc/06/94/74/338069474.db2.gz ORUUCUDMLZCVCC-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@H+](CCc3cccc(Cl)c3Cl)C2)C1 ZINC000429036021 338069475 /nfs/dbraw/zinc/06/94/75/338069475.db2.gz ORUUCUDMLZCVCC-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3cccc(Cl)c3Cl)C2)C1 ZINC000429036021 338069476 /nfs/dbraw/zinc/06/94/76/338069476.db2.gz ORUUCUDMLZCVCC-MRXNPFEDSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000429542401 338083519 /nfs/dbraw/zinc/08/35/19/338083519.db2.gz YAIMFDNQVDCMGJ-CQSZACIVSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000429542401 338083520 /nfs/dbraw/zinc/08/35/20/338083520.db2.gz YAIMFDNQVDCMGJ-CQSZACIVSA-N 2 2 301.261 3.910 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000429722573 338088484 /nfs/dbraw/zinc/08/84/84/338088484.db2.gz LMWGUBKBUVTCFP-UHFFFAOYSA-N 2 2 318.367 3.712 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)n1-c1ccccc1 ZINC000430110909 338097336 /nfs/dbraw/zinc/09/73/36/338097336.db2.gz LVOCCZODQZWJPT-DLBZAZTESA-N 2 2 317.383 3.658 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)n1-c1ccccc1 ZINC000430110909 338097337 /nfs/dbraw/zinc/09/73/37/338097337.db2.gz LVOCCZODQZWJPT-DLBZAZTESA-N 2 2 317.383 3.658 20 0 DHADLP C[C@](C[NH3+])([NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000430566677 338108841 /nfs/dbraw/zinc/10/88/41/338108841.db2.gz HSPHWJBBFRGUGZ-MRXNPFEDSA-N 2 2 321.877 3.681 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1C ZINC000430653711 338110464 /nfs/dbraw/zinc/11/04/64/338110464.db2.gz ZHUXRONXWBGGLJ-QAPCUYQASA-N 2 2 302.462 3.516 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1C ZINC000430653711 338110465 /nfs/dbraw/zinc/11/04/65/338110465.db2.gz ZHUXRONXWBGGLJ-QAPCUYQASA-N 2 2 302.462 3.516 20 0 DHADLP CC(C)[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000430796456 338115353 /nfs/dbraw/zinc/11/53/53/338115353.db2.gz YSUCSXSOSUTASC-INIZCTEOSA-N 2 2 314.433 3.532 20 0 DHADLP C[C@H](C[NH2+]Cc1csc(Cl)c1Cl)Cn1cc[nH+]c1 ZINC000432242292 338150116 /nfs/dbraw/zinc/15/01/16/338150116.db2.gz YIUKMUCHSYIWLP-SECBINFHSA-N 2 2 304.246 3.677 20 0 DHADLP FC(F)(F)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000432744179 338165643 /nfs/dbraw/zinc/16/56/43/338165643.db2.gz FJIPCVZUFRVSPI-UHFFFAOYSA-N 2 2 315.364 3.870 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC4(CCC4)C[C@H]3C)sc2C1 ZINC000432789147 338167828 /nfs/dbraw/zinc/16/78/28/338167828.db2.gz PRCVNSNOLGFRTK-CQSZACIVSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC4(CCC4)C[C@H]3C)sc2C1 ZINC000432789147 338167829 /nfs/dbraw/zinc/16/78/29/338167829.db2.gz PRCVNSNOLGFRTK-CQSZACIVSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC4(CCC4)C[C@H]3C)sc2C1 ZINC000432789147 338167830 /nfs/dbraw/zinc/16/78/30/338167830.db2.gz PRCVNSNOLGFRTK-CQSZACIVSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC4(CCC4)C[C@H]3C)sc2C1 ZINC000432789147 338167831 /nfs/dbraw/zinc/16/78/31/338167831.db2.gz PRCVNSNOLGFRTK-CQSZACIVSA-N 2 2 319.518 3.674 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000432790082 338167885 /nfs/dbraw/zinc/16/78/85/338167885.db2.gz VJUWPYCVXVDCSJ-MRXNPFEDSA-N 2 2 314.429 3.988 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000432790082 338167886 /nfs/dbraw/zinc/16/78/86/338167886.db2.gz VJUWPYCVXVDCSJ-MRXNPFEDSA-N 2 2 314.429 3.988 20 0 DHADLP C[C@@H]([NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000433038375 338177808 /nfs/dbraw/zinc/17/78/08/338177808.db2.gz JTLXEYMFWIWKKP-QKLQHJQFSA-N 2 2 324.468 3.953 20 0 DHADLP C[C@@H]([NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000433038375 338177809 /nfs/dbraw/zinc/17/78/09/338177809.db2.gz JTLXEYMFWIWKKP-QKLQHJQFSA-N 2 2 324.468 3.953 20 0 DHADLP Cc1cccc(C)c1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434015337 338207186 /nfs/dbraw/zinc/20/71/86/338207186.db2.gz ZFZXWKIQLFICCV-FPOVZHCZSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434015337 338207187 /nfs/dbraw/zinc/20/71/87/338207187.db2.gz ZFZXWKIQLFICCV-FPOVZHCZSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1cccc(C)c1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434015337 338207188 /nfs/dbraw/zinc/20/71/88/338207188.db2.gz ZFZXWKIQLFICCV-FPOVZHCZSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1cccc(C)c1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434015337 338207189 /nfs/dbraw/zinc/20/71/89/338207189.db2.gz ZFZXWKIQLFICCV-FPOVZHCZSA-N 2 2 323.484 3.823 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000153000588 338215291 /nfs/dbraw/zinc/21/52/91/338215291.db2.gz NRVADDNBQIXBRW-UKRRQHHQSA-N 2 2 300.368 3.582 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000153000588 338215292 /nfs/dbraw/zinc/21/52/92/338215292.db2.gz NRVADDNBQIXBRW-UKRRQHHQSA-N 2 2 300.368 3.582 20 0 DHADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC000434639271 338222133 /nfs/dbraw/zinc/22/21/33/338222133.db2.gz XTZVUJZLFUGYKJ-RACPOZDESA-N 2 2 321.468 3.549 20 0 DHADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC000434639271 338222134 /nfs/dbraw/zinc/22/21/34/338222134.db2.gz XTZVUJZLFUGYKJ-RACPOZDESA-N 2 2 321.468 3.549 20 0 DHADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000434639271 338222135 /nfs/dbraw/zinc/22/21/35/338222135.db2.gz XTZVUJZLFUGYKJ-RACPOZDESA-N 2 2 321.468 3.549 20 0 DHADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000434639271 338222136 /nfs/dbraw/zinc/22/21/36/338222136.db2.gz XTZVUJZLFUGYKJ-RACPOZDESA-N 2 2 321.468 3.549 20 0 DHADLP C[C@@H]([NH3+])CCC(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000434686843 338223452 /nfs/dbraw/zinc/22/34/52/338223452.db2.gz XGKFVOYGHCHETP-GFCCVEGCSA-N 2 2 314.433 3.677 20 0 DHADLP CC[N@H+](Cc1csc(C2CCCC2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435614955 338243658 /nfs/dbraw/zinc/24/36/58/338243658.db2.gz OBTDNYPKHGGHIJ-INIZCTEOSA-N 2 2 307.507 3.765 20 0 DHADLP CC[N@@H+](Cc1csc(C2CCCC2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435614955 338243659 /nfs/dbraw/zinc/24/36/59/338243659.db2.gz OBTDNYPKHGGHIJ-INIZCTEOSA-N 2 2 307.507 3.765 20 0 DHADLP C[N@H+](Cc1csc(C2CCCCC2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435624656 338243779 /nfs/dbraw/zinc/24/37/79/338243779.db2.gz YFVDJEKOSNFYAQ-MRXNPFEDSA-N 2 2 307.507 3.765 20 0 DHADLP C[N@@H+](Cc1csc(C2CCCCC2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435624656 338243780 /nfs/dbraw/zinc/24/37/80/338243780.db2.gz YFVDJEKOSNFYAQ-MRXNPFEDSA-N 2 2 307.507 3.765 20 0 DHADLP CSc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000435742725 338247438 /nfs/dbraw/zinc/24/74/38/338247438.db2.gz WXOJCKACCHLUBC-UHFFFAOYSA-N 2 2 323.465 3.927 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000437778381 338321019 /nfs/dbraw/zinc/32/10/19/338321019.db2.gz QXYBNJVYSLKFAA-YSGRDPCXSA-N 2 2 312.432 3.792 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000437778381 338321020 /nfs/dbraw/zinc/32/10/20/338321020.db2.gz QXYBNJVYSLKFAA-YSGRDPCXSA-N 2 2 312.432 3.792 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[N@@H+]1CCCC[C@H]1C ZINC000438085225 338330525 /nfs/dbraw/zinc/33/05/25/338330525.db2.gz ASPGNWFQDUHWBP-APIJFGDWSA-N 2 2 306.416 3.960 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[N@H+]1CCCC[C@H]1C ZINC000438085225 338330526 /nfs/dbraw/zinc/33/05/26/338330526.db2.gz ASPGNWFQDUHWBP-APIJFGDWSA-N 2 2 306.416 3.960 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCCOc1ccccc1 ZINC000438100092 338331510 /nfs/dbraw/zinc/33/15/10/338331510.db2.gz ZBVGHOZQDKAQIL-MOPGFXCFSA-N 2 2 316.489 3.794 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCCOc1ccccc1 ZINC000438100092 338331511 /nfs/dbraw/zinc/33/15/11/338331511.db2.gz ZBVGHOZQDKAQIL-MOPGFXCFSA-N 2 2 316.489 3.794 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCOc1ccccc1 ZINC000438100092 338331512 /nfs/dbraw/zinc/33/15/12/338331512.db2.gz ZBVGHOZQDKAQIL-MOPGFXCFSA-N 2 2 316.489 3.794 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCCOc1ccccc1 ZINC000438100092 338331513 /nfs/dbraw/zinc/33/15/13/338331513.db2.gz ZBVGHOZQDKAQIL-MOPGFXCFSA-N 2 2 316.489 3.794 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CCSC1 ZINC000438173751 338334785 /nfs/dbraw/zinc/33/47/85/338334785.db2.gz DWYZJUKVNWZFIW-FHWLQOOXSA-N 2 2 318.530 3.524 20 0 DHADLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc2ccccc21 ZINC000449020959 338584353 /nfs/dbraw/zinc/58/43/53/338584353.db2.gz RJGDKMPNXHWSCB-UHFFFAOYSA-N 2 2 321.424 3.951 20 0 DHADLP CC[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)OC ZINC000449478306 338628900 /nfs/dbraw/zinc/62/89/00/338628900.db2.gz RJCCWMOOLQQJKJ-SFHVURJKSA-N 2 2 324.896 3.709 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H]2CCO[C@H](c3cccs3)C2)c[nH+]1 ZINC000449630002 338642908 /nfs/dbraw/zinc/64/29/08/338642908.db2.gz UUCXWHLEFJJCFN-IRXDYDNUSA-N 2 2 316.470 3.894 20 0 DHADLP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450304886 338676568 /nfs/dbraw/zinc/67/65/68/338676568.db2.gz NZHJZAJWJSYYOD-NSHDSACASA-N 2 2 307.800 3.558 20 0 DHADLP Fc1cc2[nH+]ccc(N[C@@H]3CCn4cc[nH+]c4C3)c2cc1Cl ZINC000450448501 338684880 /nfs/dbraw/zinc/68/48/80/338684880.db2.gz ATBVRRMWMIAZKU-SNVBAGLBSA-N 2 2 316.767 3.651 20 0 DHADLP COc1cccc2c(NC3CC[NH+](C4CCC4)CC3)cc[nH+]c12 ZINC000450878068 338710115 /nfs/dbraw/zinc/71/01/15/338710115.db2.gz LZBGSPFGVPMXSJ-UHFFFAOYSA-N 2 2 311.429 3.672 20 0 DHADLP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1CCc1c[nH+]cn1C ZINC000459341508 339022916 /nfs/dbraw/zinc/02/29/16/339022916.db2.gz JMBTUKZBBOMSHF-LLVKDONJSA-N 2 2 324.255 3.889 20 0 DHADLP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459341508 339022917 /nfs/dbraw/zinc/02/29/17/339022917.db2.gz JMBTUKZBBOMSHF-LLVKDONJSA-N 2 2 324.255 3.889 20 0 DHADLP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CCc1c[nH+]cn1C ZINC000459354451 339023997 /nfs/dbraw/zinc/02/39/97/339023997.db2.gz XRIKEZVTFBITQQ-KRWDZBQOSA-N 2 2 305.853 3.945 20 0 DHADLP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459354451 339023998 /nfs/dbraw/zinc/02/39/98/339023998.db2.gz XRIKEZVTFBITQQ-KRWDZBQOSA-N 2 2 305.853 3.945 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)no1 ZINC000459364585 339024925 /nfs/dbraw/zinc/02/49/25/339024925.db2.gz AAKHCCPTIMVOSR-OAHLLOKOSA-N 2 2 313.445 3.505 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)no1 ZINC000459364585 339024926 /nfs/dbraw/zinc/02/49/26/339024926.db2.gz AAKHCCPTIMVOSR-OAHLLOKOSA-N 2 2 313.445 3.505 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000459422487 339028388 /nfs/dbraw/zinc/02/83/88/339028388.db2.gz ICTVYDDQTHSVFQ-QGZVFWFLSA-N 2 2 303.837 3.843 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000459422487 339028389 /nfs/dbraw/zinc/02/83/89/339028389.db2.gz ICTVYDDQTHSVFQ-QGZVFWFLSA-N 2 2 303.837 3.843 20 0 DHADLP FC1(F)CCC(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)CC1 ZINC000459433786 339029027 /nfs/dbraw/zinc/02/90/27/339029027.db2.gz TXJGSOWNMUXFED-OAHLLOKOSA-N 2 2 323.431 3.834 20 0 DHADLP FC1(F)CCC(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)CC1 ZINC000459433786 339029028 /nfs/dbraw/zinc/02/90/28/339029028.db2.gz TXJGSOWNMUXFED-OAHLLOKOSA-N 2 2 323.431 3.834 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)nc1C ZINC000459661314 339041216 /nfs/dbraw/zinc/04/12/16/339041216.db2.gz GAQAIXFOXJGZTE-FOIQADDNSA-N 2 2 315.505 3.831 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)C[N@@H+]1C1CC1 ZINC000459662418 339041374 /nfs/dbraw/zinc/04/13/74/339041374.db2.gz ALAJMEKKCFJMBB-QQHRNGFRSA-N 2 2 308.828 3.550 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)C[N@H+]1C1CC1 ZINC000459662418 339041375 /nfs/dbraw/zinc/04/13/75/339041375.db2.gz ALAJMEKKCFJMBB-QQHRNGFRSA-N 2 2 308.828 3.550 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H](C)COc3c(C)cccc3C)c[nH+]c12 ZINC000462356549 339076565 /nfs/dbraw/zinc/07/65/65/339076565.db2.gz FIUQQFITTKMTQQ-KRWDZBQOSA-N 2 2 323.440 3.817 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000462750238 339086770 /nfs/dbraw/zinc/08/67/70/339086770.db2.gz NBQMLBJFKPVJDE-SJORKVTESA-N 2 2 308.510 3.578 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000462750238 339086771 /nfs/dbraw/zinc/08/67/71/339086771.db2.gz NBQMLBJFKPVJDE-SJORKVTESA-N 2 2 308.510 3.578 20 0 DHADLP CC1CC[NH+](CC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000466458515 339205886 /nfs/dbraw/zinc/20/58/86/339205886.db2.gz PALVOIQAVVQBFI-UHFFFAOYSA-N 2 2 306.416 3.677 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000466899494 339220551 /nfs/dbraw/zinc/22/05/51/339220551.db2.gz KAUAFJHNTONBAD-IUODEOHRSA-N 2 2 312.379 3.729 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000466899494 339220552 /nfs/dbraw/zinc/22/05/52/339220552.db2.gz KAUAFJHNTONBAD-IUODEOHRSA-N 2 2 312.379 3.729 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000467356527 339233834 /nfs/dbraw/zinc/23/38/34/339233834.db2.gz WUERKKUWQXSQAG-QRQLOZEOSA-N 2 2 315.505 3.738 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000467356527 339233835 /nfs/dbraw/zinc/23/38/35/339233835.db2.gz WUERKKUWQXSQAG-QRQLOZEOSA-N 2 2 315.505 3.738 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467380859 339235707 /nfs/dbraw/zinc/23/57/07/339235707.db2.gz IFJQWOPHQCNEIY-CEXWTWQISA-N 2 2 315.505 3.880 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467380859 339235708 /nfs/dbraw/zinc/23/57/08/339235708.db2.gz IFJQWOPHQCNEIY-CEXWTWQISA-N 2 2 315.505 3.880 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000468047320 339252619 /nfs/dbraw/zinc/25/26/19/339252619.db2.gz JRPRDXGICPRUSX-IPYPFGDCSA-N 2 2 300.368 3.752 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000468047320 339252620 /nfs/dbraw/zinc/25/26/20/339252620.db2.gz JRPRDXGICPRUSX-IPYPFGDCSA-N 2 2 300.368 3.752 20 0 DHADLP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468521042 339265315 /nfs/dbraw/zinc/26/53/15/339265315.db2.gz DATPIGKMOPUTNR-IJEWVQPXSA-N 2 2 314.395 3.828 20 0 DHADLP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468521042 339265316 /nfs/dbraw/zinc/26/53/16/339265316.db2.gz DATPIGKMOPUTNR-IJEWVQPXSA-N 2 2 314.395 3.828 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCCC(F)(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000468555728 339266194 /nfs/dbraw/zinc/26/61/94/339266194.db2.gz RRPPIIJAAPZCNW-HOCLYGCPSA-N 2 2 314.395 3.829 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCCC(F)(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000468555728 339266195 /nfs/dbraw/zinc/26/61/95/339266195.db2.gz RRPPIIJAAPZCNW-HOCLYGCPSA-N 2 2 314.395 3.829 20 0 DHADLP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000472057582 339361432 /nfs/dbraw/zinc/36/14/32/339361432.db2.gz KNCIRPGBMJKIJL-OXJNMPFZSA-N 2 2 312.457 3.785 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472451181 339372337 /nfs/dbraw/zinc/37/23/37/339372337.db2.gz KHYXAWLHXLSOQH-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472451181 339372338 /nfs/dbraw/zinc/37/23/38/339372338.db2.gz KHYXAWLHXLSOQH-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472451181 339372339 /nfs/dbraw/zinc/37/23/39/339372339.db2.gz KHYXAWLHXLSOQH-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472451181 339372340 /nfs/dbraw/zinc/37/23/40/339372340.db2.gz KHYXAWLHXLSOQH-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP Cc1ccc2[nH]c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2c1C ZINC000473146424 339382971 /nfs/dbraw/zinc/38/29/71/339382971.db2.gz UBNBKTVSXRJTES-JXFKEZNVSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1ccc2[nH]c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2c1C ZINC000473146424 339382972 /nfs/dbraw/zinc/38/29/72/339382972.db2.gz UBNBKTVSXRJTES-JXFKEZNVSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2c1C ZINC000473146424 339382973 /nfs/dbraw/zinc/38/29/73/339382973.db2.gz UBNBKTVSXRJTES-JXFKEZNVSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2c1C ZINC000473146424 339382974 /nfs/dbraw/zinc/38/29/74/339382974.db2.gz UBNBKTVSXRJTES-JXFKEZNVSA-N 2 2 311.473 3.701 20 0 DHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000474796796 339426395 /nfs/dbraw/zinc/42/63/95/339426395.db2.gz BWRDHTDLKQQFIY-PMACEKPBSA-N 3 2 317.521 3.813 20 0 DHADLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000481950077 339617817 /nfs/dbraw/zinc/61/78/17/339617817.db2.gz CRHIQIJNXCBIRY-VQTJNVASSA-N 2 2 324.468 3.883 20 0 DHADLP Cc1ccc([C@@H](C[NH2+]C2CC(OC(C)(C)C)C2)[NH+](C)C)cc1 ZINC000490184315 339828183 /nfs/dbraw/zinc/82/81/83/339828183.db2.gz ISRQGTIVKVMCAC-DAWZGUTISA-N 2 2 304.478 3.533 20 0 DHADLP CCCCCOc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494391835 339948027 /nfs/dbraw/zinc/94/80/27/339948027.db2.gz LWHKJFFMZSSXBS-QGZVFWFLSA-N 2 2 313.445 3.557 20 0 DHADLP CC(C)c1cc(N(C)[C@H](C)C2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000498895571 340025240 /nfs/dbraw/zinc/02/52/40/340025240.db2.gz YJXKYCNAWCZHJJ-OAHLLOKOSA-N 2 2 318.509 3.890 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000498919785 340025901 /nfs/dbraw/zinc/02/59/01/340025901.db2.gz WZJGPNHIWOYYQZ-JLTOFOAXSA-N 2 2 304.437 3.829 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000498919785 340025902 /nfs/dbraw/zinc/02/59/02/340025902.db2.gz WZJGPNHIWOYYQZ-JLTOFOAXSA-N 2 2 304.437 3.829 20 0 DHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CCCCC2CCOCC2)C1 ZINC000499525341 340038726 /nfs/dbraw/zinc/03/87/26/340038726.db2.gz ZQFNTCVCWOWALD-WSTZPKSXSA-N 2 2 322.537 3.921 20 0 DHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CCCCC2CCOCC2)C1 ZINC000499525341 340038727 /nfs/dbraw/zinc/03/87/27/340038727.db2.gz ZQFNTCVCWOWALD-WSTZPKSXSA-N 2 2 322.537 3.921 20 0 DHADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000499525341 340038728 /nfs/dbraw/zinc/03/87/28/340038728.db2.gz ZQFNTCVCWOWALD-WSTZPKSXSA-N 2 2 322.537 3.921 20 0 DHADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000499525341 340038729 /nfs/dbraw/zinc/03/87/29/340038729.db2.gz ZQFNTCVCWOWALD-WSTZPKSXSA-N 2 2 322.537 3.921 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000499694835 340042875 /nfs/dbraw/zinc/04/28/75/340042875.db2.gz CFZRWWKIVFXDLA-PVAVHDDUSA-N 2 2 308.416 3.817 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000499694835 340042876 /nfs/dbraw/zinc/04/28/76/340042876.db2.gz CFZRWWKIVFXDLA-PVAVHDDUSA-N 2 2 308.416 3.817 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000499694833 340042908 /nfs/dbraw/zinc/04/29/08/340042908.db2.gz CFZRWWKIVFXDLA-HYVNUMGLSA-N 2 2 308.416 3.817 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000499694833 340042909 /nfs/dbraw/zinc/04/29/09/340042909.db2.gz CFZRWWKIVFXDLA-HYVNUMGLSA-N 2 2 308.416 3.817 20 0 DHADLP Cc1cc[nH+]c(N2CC[NH+](CCSC3CCCCC3)CC2)c1 ZINC000500071320 340049624 /nfs/dbraw/zinc/04/96/24/340049624.db2.gz VNIONXACMLNYGM-UHFFFAOYSA-N 2 2 319.518 3.578 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000501402394 340080173 /nfs/dbraw/zinc/08/01/73/340080173.db2.gz BAVGHYWBRGYDQC-RNQWEJQRSA-N 2 2 323.362 3.984 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000501402393 340080196 /nfs/dbraw/zinc/08/01/96/340080196.db2.gz BAVGHYWBRGYDQC-KADHNRKRSA-N 2 2 323.362 3.984 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@H](C)COC(C)C)[NH+]2CCCC2)cc1 ZINC000501432687 340080946 /nfs/dbraw/zinc/08/09/46/340080946.db2.gz DYAYKWKBIFUPOJ-IEBWSBKVSA-N 2 2 304.478 3.535 20 0 DHADLP c1[nH+]c([C@H]2CCC[N@@H+](CC3CCCCC3)C2)n2c1CCCC2 ZINC000502322933 340099848 /nfs/dbraw/zinc/09/98/48/340099848.db2.gz SPICZQHROUQJHA-KRWDZBQOSA-N 2 2 301.478 3.979 20 0 DHADLP c1[nH+]c([C@H]2CCC[N@H+](CC3CCCCC3)C2)n2c1CCCC2 ZINC000502322933 340099849 /nfs/dbraw/zinc/09/98/49/340099849.db2.gz SPICZQHROUQJHA-KRWDZBQOSA-N 2 2 301.478 3.979 20 0 DHADLP Cc1cc(C[NH2+]C[C@H](C)[N@@H+]2CCc3ccccc3C2)cc(C)c1O ZINC000502517646 340106712 /nfs/dbraw/zinc/10/67/12/340106712.db2.gz JAJDOACIPZNCSJ-KRWDZBQOSA-N 2 2 324.468 3.545 20 0 DHADLP Cc1cc(C[NH2+]C[C@H](C)[N@H+]2CCc3ccccc3C2)cc(C)c1O ZINC000502517646 340106713 /nfs/dbraw/zinc/10/67/13/340106713.db2.gz JAJDOACIPZNCSJ-KRWDZBQOSA-N 2 2 324.468 3.545 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc(C)c1O ZINC000502517647 340106740 /nfs/dbraw/zinc/10/67/40/340106740.db2.gz JAJDOACIPZNCSJ-QGZVFWFLSA-N 2 2 324.468 3.545 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H](C)[N@H+]2CCc3ccccc3C2)cc(C)c1O ZINC000502517647 340106741 /nfs/dbraw/zinc/10/67/41/340106741.db2.gz JAJDOACIPZNCSJ-QGZVFWFLSA-N 2 2 324.468 3.545 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000503049926 340119620 /nfs/dbraw/zinc/11/96/20/340119620.db2.gz BPILOCRJPRRQSP-HZPDHXFCSA-N 2 2 322.880 3.668 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000503049926 340119621 /nfs/dbraw/zinc/11/96/21/340119621.db2.gz BPILOCRJPRRQSP-HZPDHXFCSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000503049926 340119622 /nfs/dbraw/zinc/11/96/22/340119622.db2.gz BPILOCRJPRRQSP-HZPDHXFCSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000503049926 340119623 /nfs/dbraw/zinc/11/96/23/340119623.db2.gz BPILOCRJPRRQSP-HZPDHXFCSA-N 2 2 322.880 3.668 20 0 DHADLP Cc1ccc(CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503375242 340126689 /nfs/dbraw/zinc/12/66/89/340126689.db2.gz KNPGULIEXPKDGH-LJQANCHMSA-N 2 2 323.484 3.950 20 0 DHADLP Cc1ccc(CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503375242 340126690 /nfs/dbraw/zinc/12/66/90/340126690.db2.gz KNPGULIEXPKDGH-LJQANCHMSA-N 2 2 323.484 3.950 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)o1 ZINC000506329367 340192400 /nfs/dbraw/zinc/19/24/00/340192400.db2.gz ZEPSXIJUNAVWEV-QAPCUYQASA-N 2 2 302.462 3.853 20 0 DHADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507475182 340221693 /nfs/dbraw/zinc/22/16/93/340221693.db2.gz ZOKFLVAFBOXQNP-ZIAGYGMSSA-N 2 2 306.416 3.819 20 0 DHADLP Cc1ccsc1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507491062 340222613 /nfs/dbraw/zinc/22/26/13/340222613.db2.gz ASKAXMGTRUFGDT-UHFFFAOYSA-N 2 2 320.424 3.605 20 0 DHADLP CCc1ccc[nH+]c1N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722518 340251544 /nfs/dbraw/zinc/25/15/44/340251544.db2.gz XQKYRHQDCKCHFX-VQIMIIECSA-N 2 2 309.457 3.967 20 0 DHADLP CCc1ccc[nH+]c1N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722518 340251545 /nfs/dbraw/zinc/25/15/45/340251545.db2.gz XQKYRHQDCKCHFX-VQIMIIECSA-N 2 2 309.457 3.967 20 0 DHADLP C([NH2+][C@@H]1CC[C@H]1C1CCC1)C1([NH+]2CCSCC2)CCCC1 ZINC000510723514 340308231 /nfs/dbraw/zinc/30/82/31/340308231.db2.gz RLJNTZVYXLQRKP-DLBZAZTESA-N 2 2 308.535 3.516 20 0 DHADLP COCC[C@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(C)(C)C ZINC000510979612 340316879 /nfs/dbraw/zinc/31/68/79/340316879.db2.gz VTMQAKSCQSUXAG-WDSOQIARSA-N 2 2 318.505 3.863 20 0 DHADLP COCC[C@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(C)(C)C ZINC000510979612 340316880 /nfs/dbraw/zinc/31/68/80/340316880.db2.gz VTMQAKSCQSUXAG-WDSOQIARSA-N 2 2 318.505 3.863 20 0 DHADLP CCC[N@H+](C)[C@@H](C[NH2+]C[C@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000512567951 340367283 /nfs/dbraw/zinc/36/72/83/340367283.db2.gz DQPGZLABOJAKED-QAPCUYQASA-N 2 2 324.896 3.739 20 0 DHADLP CCC[N@@H+](C)[C@@H](C[NH2+]C[C@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000512567951 340367284 /nfs/dbraw/zinc/36/72/84/340367284.db2.gz DQPGZLABOJAKED-QAPCUYQASA-N 2 2 324.896 3.739 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+]Cc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000512576072 340367652 /nfs/dbraw/zinc/36/76/52/340367652.db2.gz AVUBDVIURMOMDC-QGZVFWFLSA-N 2 2 305.853 3.841 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+]Cc1cc[nH]c1)c1ccc(Cl)cc1 ZINC000512576072 340367653 /nfs/dbraw/zinc/36/76/53/340367653.db2.gz AVUBDVIURMOMDC-QGZVFWFLSA-N 2 2 305.853 3.841 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C[N@@H+]1C1CC1 ZINC000512584208 340367929 /nfs/dbraw/zinc/36/79/29/340367929.db2.gz XEYMSFZJXQZXBH-XJKSGUPXSA-N 2 2 317.864 3.510 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C[N@H+]1C1CC1 ZINC000512584208 340367930 /nfs/dbraw/zinc/36/79/30/340367930.db2.gz XEYMSFZJXQZXBH-XJKSGUPXSA-N 2 2 317.864 3.510 20 0 DHADLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C(C)C ZINC000512988300 340387147 /nfs/dbraw/zinc/38/71/47/340387147.db2.gz VNNHPNPXPHJEBI-GOSISDBHSA-N 2 2 324.896 3.565 20 0 DHADLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000512992062 340387292 /nfs/dbraw/zinc/38/72/92/340387292.db2.gz KXYKQPQONONGSX-SFHVURJKSA-N 2 2 324.896 3.565 20 0 DHADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000513032542 340389591 /nfs/dbraw/zinc/38/95/91/340389591.db2.gz RZRKTPGUQNVVQA-MZLJFPOFSA-N 2 2 303.837 3.866 20 0 DHADLP Cc1ccc([C@H](C[NH2+]Cc2ccc(F)c(C)c2)[NH+](C)C)cc1 ZINC000521833805 340535636 /nfs/dbraw/zinc/53/56/36/340535636.db2.gz CWQXNQZTGAUAFQ-IBGZPJMESA-N 2 2 300.421 3.835 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccc(Cl)cc1 ZINC000193963591 340586622 /nfs/dbraw/zinc/58/66/22/340586622.db2.gz BRJJYSCQCJSAKZ-SFHVURJKSA-N 2 2 324.896 3.738 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CC[NH2+]C34CCC4)ccc2c1 ZINC000530216614 340782729 /nfs/dbraw/zinc/78/27/29/340782729.db2.gz CJUGUKHGLRPNGB-AUUYWEPGSA-N 2 2 310.441 3.784 20 0 DHADLP CC(C)CO[C@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1(C)C ZINC000538394861 340820631 /nfs/dbraw/zinc/82/06/31/340820631.db2.gz RWNIWJTVLGWOSP-IRXDYDNUSA-N 2 2 319.493 3.703 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(C)CCCS2)n1-c1ccccc1 ZINC000127900485 340857606 /nfs/dbraw/zinc/85/76/06/340857606.db2.gz JNHFSUJLUGSRLP-QGZVFWFLSA-N 2 2 301.459 3.556 20 0 DHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCc2ccccc2C1 ZINC000542466592 341008472 /nfs/dbraw/zinc/00/84/72/341008472.db2.gz NFMGJUSVCHRATL-KRWDZBQOSA-N 2 2 323.465 3.923 20 0 DHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCc2ccccc2C1 ZINC000542466592 341008473 /nfs/dbraw/zinc/00/84/73/341008473.db2.gz NFMGJUSVCHRATL-KRWDZBQOSA-N 2 2 323.465 3.923 20 0 DHADLP C[C@@H]1CC[N@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000542915128 341026137 /nfs/dbraw/zinc/02/61/37/341026137.db2.gz JFWKJHLSUNOKGM-MBOZVWFJSA-N 2 2 309.457 3.571 20 0 DHADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000542915128 341026138 /nfs/dbraw/zinc/02/61/38/341026138.db2.gz JFWKJHLSUNOKGM-MBOZVWFJSA-N 2 2 309.457 3.571 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cc2c(s1)CCC2 ZINC000130624542 341034055 /nfs/dbraw/zinc/03/40/55/341034055.db2.gz MLNRMDQIORMHOS-CYBMUJFWSA-N 2 2 311.454 3.778 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000543603173 341050756 /nfs/dbraw/zinc/05/07/56/341050756.db2.gz ZBVWZEVBTDYDJQ-KSZLIROESA-N 2 2 304.865 3.934 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000543603173 341050757 /nfs/dbraw/zinc/05/07/57/341050757.db2.gz ZBVWZEVBTDYDJQ-KSZLIROESA-N 2 2 304.865 3.934 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000543603176 341050773 /nfs/dbraw/zinc/05/07/73/341050773.db2.gz ZBVWZEVBTDYDJQ-RCCFBDPRSA-N 2 2 304.865 3.934 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000543603176 341050774 /nfs/dbraw/zinc/05/07/74/341050774.db2.gz ZBVWZEVBTDYDJQ-RCCFBDPRSA-N 2 2 304.865 3.934 20 0 DHADLP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000131758350 341111105 /nfs/dbraw/zinc/11/11/05/341111105.db2.gz IOORHPJZZKHSBZ-XJKSGUPXSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131758350 341111106 /nfs/dbraw/zinc/11/11/06/341111106.db2.gz IOORHPJZZKHSBZ-XJKSGUPXSA-N 2 2 323.362 3.985 20 0 DHADLP CCC(CC)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545192130 341112706 /nfs/dbraw/zinc/11/27/06/341112706.db2.gz RFAVTEBHIJLULZ-UHFFFAOYSA-N 2 2 324.266 3.726 20 0 DHADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132238585 341119192 /nfs/dbraw/zinc/11/91/92/341119192.db2.gz IGNPGQQTNBVXTH-IAGOWNOFSA-N 2 2 311.473 3.888 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000133180973 341160640 /nfs/dbraw/zinc/16/06/40/341160640.db2.gz YDDWEAHTRGEQDH-CYBMUJFWSA-N 2 2 306.837 3.906 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000133180973 341160641 /nfs/dbraw/zinc/16/06/41/341160641.db2.gz YDDWEAHTRGEQDH-CYBMUJFWSA-N 2 2 306.837 3.906 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237361549 341212547 /nfs/dbraw/zinc/21/25/47/341212547.db2.gz RFPKPIBGZDVAFN-HKUYNNGSSA-N 2 2 312.457 3.855 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237361549 341212548 /nfs/dbraw/zinc/21/25/48/341212548.db2.gz RFPKPIBGZDVAFN-HKUYNNGSSA-N 2 2 312.457 3.855 20 0 DHADLP CCCCOc1ccccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000136150362 341253867 /nfs/dbraw/zinc/25/38/67/341253867.db2.gz CGCWDFJDXUQQNB-UHFFFAOYSA-N 2 2 304.478 3.782 20 0 DHADLP CCCCOc1ccccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000136150362 341253868 /nfs/dbraw/zinc/25/38/68/341253868.db2.gz CGCWDFJDXUQQNB-UHFFFAOYSA-N 2 2 304.478 3.782 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245543486 341300886 /nfs/dbraw/zinc/30/08/86/341300886.db2.gz KTTRZLXSDLHZOM-CABCVRRESA-N 2 2 301.434 3.553 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245543486 341300887 /nfs/dbraw/zinc/30/08/87/341300887.db2.gz KTTRZLXSDLHZOM-CABCVRRESA-N 2 2 301.434 3.553 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245543486 341300888 /nfs/dbraw/zinc/30/08/88/341300888.db2.gz KTTRZLXSDLHZOM-CABCVRRESA-N 2 2 301.434 3.553 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245543486 341300889 /nfs/dbraw/zinc/30/08/89/341300889.db2.gz KTTRZLXSDLHZOM-CABCVRRESA-N 2 2 301.434 3.553 20 0 DHADLP Cc1ccc2[nH+]cc(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)n2c1 ZINC000245735624 341312520 /nfs/dbraw/zinc/31/25/20/341312520.db2.gz KRQTUUWWZKJZAA-CVEARBPZSA-N 2 2 301.459 3.503 20 0 DHADLP Cc1ccc2[nH+]cc(C[N@H+]3CCS[C@H]4CCCC[C@H]43)n2c1 ZINC000245735624 341312521 /nfs/dbraw/zinc/31/25/21/341312521.db2.gz KRQTUUWWZKJZAA-CVEARBPZSA-N 2 2 301.459 3.503 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550237854 341313107 /nfs/dbraw/zinc/31/31/07/341313107.db2.gz AODHWWPVSOUEAA-ROUUACIJSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550237854 341313108 /nfs/dbraw/zinc/31/31/08/341313108.db2.gz AODHWWPVSOUEAA-ROUUACIJSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550237854 341313109 /nfs/dbraw/zinc/31/31/09/341313109.db2.gz AODHWWPVSOUEAA-ROUUACIJSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550237854 341313110 /nfs/dbraw/zinc/31/31/10/341313110.db2.gz AODHWWPVSOUEAA-ROUUACIJSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000245773242 341314263 /nfs/dbraw/zinc/31/42/63/341314263.db2.gz SEDSYZDVFDACAO-RYRKJORJSA-N 2 2 302.462 3.711 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000245773242 341314264 /nfs/dbraw/zinc/31/42/64/341314264.db2.gz SEDSYZDVFDACAO-RYRKJORJSA-N 2 2 302.462 3.711 20 0 DHADLP c1ccc2c(c1)COC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000550932384 341327048 /nfs/dbraw/zinc/32/70/48/341327048.db2.gz WDKJYCKUWODUBK-HXUWFJFHSA-N 2 2 314.473 3.645 20 0 DHADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000551534942 341344551 /nfs/dbraw/zinc/34/45/51/341344551.db2.gz SFSQEEIDJYMMNB-ZFWWWQNUSA-N 2 2 310.869 3.872 20 0 DHADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000551534942 341344552 /nfs/dbraw/zinc/34/45/52/341344552.db2.gz SFSQEEIDJYMMNB-ZFWWWQNUSA-N 2 2 310.869 3.872 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000551539589 341344857 /nfs/dbraw/zinc/34/48/57/341344857.db2.gz AVKNAEFOYFRLKX-CVEARBPZSA-N 2 2 301.434 3.801 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246366575 341345190 /nfs/dbraw/zinc/34/51/90/341345190.db2.gz IYULUPQUYCUGAF-XJKSGUPXSA-N 2 2 310.869 3.559 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246366575 341345191 /nfs/dbraw/zinc/34/51/91/341345191.db2.gz IYULUPQUYCUGAF-XJKSGUPXSA-N 2 2 310.869 3.559 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246421106 341348318 /nfs/dbraw/zinc/34/83/18/341348318.db2.gz SYEDJTVDYSWVGH-RYUDHWBXSA-N 2 2 301.261 3.938 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246421106 341348319 /nfs/dbraw/zinc/34/83/19/341348319.db2.gz SYEDJTVDYSWVGH-RYUDHWBXSA-N 2 2 301.261 3.938 20 0 DHADLP COc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246484878 341350416 /nfs/dbraw/zinc/35/04/16/341350416.db2.gz RLLWBMULFFIMNN-DJPFJPOOSA-N 2 2 324.468 3.857 20 0 DHADLP COc1ccccc1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246484878 341350417 /nfs/dbraw/zinc/35/04/17/341350417.db2.gz RLLWBMULFFIMNN-DJPFJPOOSA-N 2 2 324.468 3.857 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247092080 341360950 /nfs/dbraw/zinc/36/09/50/341360950.db2.gz NYNVLYUZAIWILZ-GDBMZVCRSA-N 2 2 308.416 3.976 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247092080 341360951 /nfs/dbraw/zinc/36/09/51/341360951.db2.gz NYNVLYUZAIWILZ-GDBMZVCRSA-N 2 2 308.416 3.976 20 0 DHADLP CSCCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248572757 341380272 /nfs/dbraw/zinc/38/02/72/341380272.db2.gz RQJQHCCWXRQJNA-FUHWJXTLSA-N 2 2 306.519 3.630 20 0 DHADLP CSCCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248572757 341380273 /nfs/dbraw/zinc/38/02/73/341380273.db2.gz RQJQHCCWXRQJNA-FUHWJXTLSA-N 2 2 306.519 3.630 20 0 DHADLP CCc1ccc([C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000552272851 341382638 /nfs/dbraw/zinc/38/26/38/341382638.db2.gz FIAFSGNFESRVJM-GOSISDBHSA-N 2 2 305.425 3.886 20 0 DHADLP CCc1ccc([C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000552272851 341382639 /nfs/dbraw/zinc/38/26/39/341382639.db2.gz FIAFSGNFESRVJM-GOSISDBHSA-N 2 2 305.425 3.886 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000552304790 341385345 /nfs/dbraw/zinc/38/53/45/341385345.db2.gz BWEVFCIEYAZAKQ-HNNXBMFYSA-N 2 2 315.486 3.630 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000552304790 341385346 /nfs/dbraw/zinc/38/53/46/341385346.db2.gz BWEVFCIEYAZAKQ-HNNXBMFYSA-N 2 2 315.486 3.630 20 0 DHADLP CCC[N@H+](C)[C@@H](C[NH2+][C@@H](C)COCC)c1ccc(Cl)cc1 ZINC000552322500 341386421 /nfs/dbraw/zinc/38/64/21/341386421.db2.gz PHGCPIOOFPAPFL-YOEHRIQHSA-N 2 2 312.885 3.738 20 0 DHADLP CCC[N@@H+](C)[C@@H](C[NH2+][C@@H](C)COCC)c1ccc(Cl)cc1 ZINC000552322500 341386422 /nfs/dbraw/zinc/38/64/22/341386422.db2.gz PHGCPIOOFPAPFL-YOEHRIQHSA-N 2 2 312.885 3.738 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H](C)COCC)c1ccc(Cl)cc1 ZINC000552322499 341386461 /nfs/dbraw/zinc/38/64/61/341386461.db2.gz PHGCPIOOFPAPFL-WMLDXEAASA-N 2 2 312.885 3.738 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H](C)COCC)c1ccc(Cl)cc1 ZINC000552322499 341386462 /nfs/dbraw/zinc/38/64/62/341386462.db2.gz PHGCPIOOFPAPFL-WMLDXEAASA-N 2 2 312.885 3.738 20 0 DHADLP C[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000564391358 341391156 /nfs/dbraw/zinc/39/11/56/341391156.db2.gz ZDKDXAINDFHAIE-GJZGRUSLSA-N 2 2 319.493 3.715 20 0 DHADLP C[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000564391358 341391157 /nfs/dbraw/zinc/39/11/57/341391157.db2.gz ZDKDXAINDFHAIE-GJZGRUSLSA-N 2 2 319.493 3.715 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)C[N@@H+]1C1CC1 ZINC000249134328 341394574 /nfs/dbraw/zinc/39/45/74/341394574.db2.gz NHNLCDWCQGDZNL-IVMMDQJWSA-N 2 2 312.379 3.547 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)C(F)(F)F)C[N@H+]1C1CC1 ZINC000249134328 341394575 /nfs/dbraw/zinc/39/45/75/341394575.db2.gz NHNLCDWCQGDZNL-IVMMDQJWSA-N 2 2 312.379 3.547 20 0 DHADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249478624 341398176 /nfs/dbraw/zinc/39/81/76/341398176.db2.gz WINODELNMZPUCN-MJGOQNOKSA-N 2 2 311.473 3.553 20 0 DHADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249478624 341398177 /nfs/dbraw/zinc/39/81/77/341398177.db2.gz WINODELNMZPUCN-MJGOQNOKSA-N 2 2 311.473 3.553 20 0 DHADLP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000554088456 341443499 /nfs/dbraw/zinc/44/34/99/341443499.db2.gz KZVGOUUJGLDEDX-YJYMSZOUSA-N 2 2 318.436 3.644 20 0 DHADLP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000554371582 341451731 /nfs/dbraw/zinc/45/17/31/341451731.db2.gz RWSMTJOHDGBCKT-KRWDZBQOSA-N 2 2 304.478 3.504 20 0 DHADLP FC(F)(F)c1ccccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000262060752 341512908 /nfs/dbraw/zinc/51/29/08/341512908.db2.gz DXTXFRFOTGHSPS-UHFFFAOYSA-N 2 2 312.379 3.669 20 0 DHADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1cccs1 ZINC000153812131 341579583 /nfs/dbraw/zinc/57/95/83/341579583.db2.gz IIDLUDQAQODFOS-CQSZACIVSA-N 2 2 310.532 3.760 20 0 DHADLP CC(C)(C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)C[NH+]1CCCC1 ZINC000567118191 341581114 /nfs/dbraw/zinc/58/11/14/341581114.db2.gz IFMJTVITJNHQHG-KRWDZBQOSA-N 2 2 318.509 3.743 20 0 DHADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268835730 341604691 /nfs/dbraw/zinc/60/46/91/341604691.db2.gz SFUQXDMCVWOCSW-HZPDHXFCSA-N 2 2 301.434 3.657 20 0 DHADLP Cc1cccn2c(C[NH2+]CCCc3c[nH]c4ccccc34)c[nH+]c12 ZINC000174370023 341826291 /nfs/dbraw/zinc/82/62/91/341826291.db2.gz UBBKXDJUEXRMJK-UHFFFAOYSA-N 2 2 318.424 3.846 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C(c2cccs2)c2cccs2)n1C ZINC000576719484 341860081 /nfs/dbraw/zinc/86/00/81/341860081.db2.gz YUAHKCBGQOKJLW-UHFFFAOYSA-N 2 2 303.456 3.731 20 0 DHADLP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000414301247 517389113 /nfs/dbraw/zinc/38/91/13/517389113.db2.gz LLCCPQWHTYGECZ-RTBURBONSA-N 2 2 315.505 3.850 20 0 DHADLP CC(C)CCc1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000266740578 519697206 /nfs/dbraw/zinc/69/72/06/519697206.db2.gz LUEAYSBKKJEIDQ-UHFFFAOYSA-N 2 2 318.490 3.834 20 0 DHADLP CCO[C@@H](CC[NH2+]CCCc1ccc(C)[nH+]c1)C1CCCC1 ZINC000354496126 520303678 /nfs/dbraw/zinc/30/36/78/520303678.db2.gz HAMMZIHRQWQEDU-IBGZPJMESA-N 2 2 304.478 3.898 20 0 DHADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C)[nH+]c2C)cc1 ZINC000268034842 520748698 /nfs/dbraw/zinc/74/86/98/520748698.db2.gz ZEEULFBNJJECJJ-UHFFFAOYSA-N 2 2 311.429 3.793 20 0 DHADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180716760 522046487 /nfs/dbraw/zinc/04/64/87/522046487.db2.gz ZIYLITXWZFBJHQ-GGPKGHCWSA-N 2 2 309.457 3.633 20 0 DHADLP COC[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccco1 ZINC000156645610 522342804 /nfs/dbraw/zinc/34/28/04/522342804.db2.gz SLGALVADSGXRIZ-GOSISDBHSA-N 2 2 320.477 3.601 20 0 DHADLP CC[C@H](NC[C@@H](c1ccccc1)[NH+](CC)CC)c1[nH+]ccn1C ZINC000182184068 522612624 /nfs/dbraw/zinc/61/26/24/522612624.db2.gz HZIJFGMVYCDORC-ROUUACIJSA-N 2 2 314.477 3.544 20 0 DHADLP COC1(C[C@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000365401007 522638141 /nfs/dbraw/zinc/63/81/41/522638141.db2.gz CIJRTOZYXZGOHV-HNNXBMFYSA-N 2 2 322.518 3.650 20 0 DHADLP CC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000163736244 522760327 /nfs/dbraw/zinc/76/03/27/522760327.db2.gz SIKPRADXNYLICD-VDGAXYAQSA-N 2 2 309.457 3.643 20 0 DHADLP CC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000163736244 522760332 /nfs/dbraw/zinc/76/03/32/522760332.db2.gz SIKPRADXNYLICD-VDGAXYAQSA-N 2 2 309.457 3.643 20 0 DHADLP CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000130068103 523120491 /nfs/dbraw/zinc/12/04/91/523120491.db2.gz NYJFCDKEHWZWOZ-IBGZPJMESA-N 2 2 306.413 3.850 20 0 DHADLP CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000130068103 523120505 /nfs/dbraw/zinc/12/05/05/523120505.db2.gz NYJFCDKEHWZWOZ-IBGZPJMESA-N 2 2 306.413 3.850 20 0 DHADLP C[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156459635 524291050 /nfs/dbraw/zinc/29/10/50/524291050.db2.gz KTQZMNMWMYAXBM-LRDDRELGSA-N 2 2 307.800 3.759 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156459635 524291059 /nfs/dbraw/zinc/29/10/59/524291059.db2.gz KTQZMNMWMYAXBM-LRDDRELGSA-N 2 2 307.800 3.759 20 0 DHADLP Cc1cc(N2CCC([N@H+](C)CCCCF)CC2)nc(C(C)C)[nH+]1 ZINC000367552164 525056010 /nfs/dbraw/zinc/05/60/10/525056010.db2.gz DZGXFQHFWHUNRB-UHFFFAOYSA-N 2 2 322.472 3.559 20 0 DHADLP Cc1cc(N2CCC([N@@H+](C)CCCCF)CC2)nc(C(C)C)[nH+]1 ZINC000367552164 525056021 /nfs/dbraw/zinc/05/60/21/525056021.db2.gz DZGXFQHFWHUNRB-UHFFFAOYSA-N 2 2 322.472 3.559 20 0 DHADLP COc1ccc([C@@H](C[NH2+][C@H](C)C2(C)CC2)[NH+]2CCCC2)cc1 ZINC000156662046 525188382 /nfs/dbraw/zinc/18/83/82/525188382.db2.gz FAUCLRKATVPPME-CRAIPNDOSA-N 2 2 302.462 3.610 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000161515056 525292331 /nfs/dbraw/zinc/29/23/31/525292331.db2.gz UFVAVYPHZVMFKY-ZDUSSCGKSA-N 2 2 301.459 3.555 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c2ccsc2S1 ZINC000336826513 525446382 /nfs/dbraw/zinc/44/63/82/525446382.db2.gz QIRXYRXSTDVVFD-REBRKWNGSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c2ccsc2S1 ZINC000336826513 525446386 /nfs/dbraw/zinc/44/63/86/525446386.db2.gz QIRXYRXSTDVVFD-REBRKWNGSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1csc(Cl)c1 ZINC000364917800 525515471 /nfs/dbraw/zinc/51/54/71/525515471.db2.gz RESNKPKJRPMYCY-LLVKDONJSA-N 2 2 318.833 3.833 20 0 DHADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccccc2o1 ZINC000182070300 525541069 /nfs/dbraw/zinc/54/10/69/525541069.db2.gz OJSKDTLEHANYME-BBRMVZONSA-N 2 2 303.450 3.845 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccs1 ZINC000154507357 525618412 /nfs/dbraw/zinc/61/84/12/525618412.db2.gz WHEIIJFJVITWBT-ZOBUZTSGSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccs1 ZINC000154507357 525618416 /nfs/dbraw/zinc/61/84/16/525618416.db2.gz WHEIIJFJVITWBT-ZOBUZTSGSA-N 2 2 315.486 3.704 20 0 DHADLP Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000189890295 525977169 /nfs/dbraw/zinc/97/71/69/525977169.db2.gz KWWNCUPOMSBMHC-OXQOHEQNSA-N 2 2 321.424 3.565 20 0 DHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124257929 526183972 /nfs/dbraw/zinc/18/39/72/526183972.db2.gz WVJKTRGEPTUYED-OAHLLOKOSA-N 2 2 310.401 3.621 20 0 DHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124257929 526183983 /nfs/dbraw/zinc/18/39/83/526183983.db2.gz WVJKTRGEPTUYED-OAHLLOKOSA-N 2 2 310.401 3.621 20 0 DHADLP Cc1cncc([C@H](C)[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000363813907 526217656 /nfs/dbraw/zinc/21/76/56/526217656.db2.gz GDYYZOVFGIECNC-HNNXBMFYSA-N 2 2 306.413 3.641 20 0 DHADLP Cc1ccc2[nH+]c(CNc3ccc([NH+]4CCCC4)cc3)cn2c1 ZINC000263837527 526249028 /nfs/dbraw/zinc/24/90/28/526249028.db2.gz HDJQCROADSHGHM-UHFFFAOYSA-N 2 2 306.413 3.855 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)n2c1 ZINC000157669425 526258529 /nfs/dbraw/zinc/25/85/29/526258529.db2.gz LYYLBIHGJRTWLK-MRXNPFEDSA-N 2 2 313.445 3.614 20 0 DHADLP Fc1cc(F)c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(F)c1 ZINC000339523220 526303334 /nfs/dbraw/zinc/30/33/34/526303334.db2.gz IWXCBWYHSNQVJB-UHFFFAOYSA-N 2 2 323.343 3.641 20 0 DHADLP Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000267024152 526363199 /nfs/dbraw/zinc/36/31/99/526363199.db2.gz CINIWDQLALDBTQ-SFHVURJKSA-N 2 2 322.387 3.744 20 0 DHADLP Fc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000267024152 526363205 /nfs/dbraw/zinc/36/32/05/526363205.db2.gz CINIWDQLALDBTQ-SFHVURJKSA-N 2 2 322.387 3.744 20 0 DHADLP c1csc(-c2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)no2)c1 ZINC000266806113 526570854 /nfs/dbraw/zinc/57/08/54/526570854.db2.gz ZXCXTAWGGIUKMQ-UHFFFAOYSA-N 2 2 314.414 3.506 20 0 DHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cc(C)on1 ZINC000284108040 535612438 /nfs/dbraw/zinc/61/24/38/535612438.db2.gz NCRQZDVLJXMYHS-HNNXBMFYSA-N 2 2 301.434 3.676 20 0 DHADLP Cc1c[nH+]c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1C ZINC001164629304 719102682 /nfs/dbraw/zinc/10/26/82/719102682.db2.gz RTCMDSMAOQOODG-UXHICEINSA-N 2 2 321.468 3.799 20 0 DHADLP Cc1c[nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C ZINC001164629304 719102686 /nfs/dbraw/zinc/10/26/86/719102686.db2.gz RTCMDSMAOQOODG-UXHICEINSA-N 2 2 321.468 3.799 20 0 DHADLP Cc1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC001165048812 721975428 /nfs/dbraw/zinc/97/54/28/721975428.db2.gz LKIYRWZMBNSUEW-KRWDZBQOSA-N 2 2 316.493 3.753 20 0 DHADLP Cc1cccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)c1C ZINC000518762365 1013223314 /nfs/dbraw/zinc/22/33/14/1013223314.db2.gz UOLHJKWCVMDEPK-UHFFFAOYSA-N 2 2 318.530 3.755 20 0 DHADLP CCCc1cc(-n2cc(C[NH2+]C)c3cc(C)ccc32)nc(C)[nH+]1 ZINC001167124518 1013232100 /nfs/dbraw/zinc/23/21/00/1013232100.db2.gz VKKYCHGYJLGRNS-UHFFFAOYSA-N 2 2 308.429 3.709 20 0 DHADLP CCC(CC)(CCO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155363971 1013384748 /nfs/dbraw/zinc/38/47/48/1013384748.db2.gz AUNZDOLIHYMOID-MRXNPFEDSA-N 2 2 315.461 3.712 20 0 DHADLP CC(C)CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000236784646 1013434965 /nfs/dbraw/zinc/43/49/65/1013434965.db2.gz NUFYROAZASJHPP-QGZVFWFLSA-N 2 2 315.461 3.734 20 0 DHADLP CC(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655681084 1013635695 /nfs/dbraw/zinc/63/56/95/1013635695.db2.gz ZLHAZZAWDGFWGU-OXQOHEQNSA-N 2 2 316.489 3.714 20 0 DHADLP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000655688202 1013640825 /nfs/dbraw/zinc/64/08/25/1013640825.db2.gz PUSXYJCBFPYZAV-GOSISDBHSA-N 2 2 309.457 3.656 20 0 DHADLP CCCCC1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655701335 1013648177 /nfs/dbraw/zinc/64/81/77/1013648177.db2.gz SDHOIPCQTJZOCL-TVPLGVNVSA-N 2 2 308.510 3.578 20 0 DHADLP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655755649 1013691381 /nfs/dbraw/zinc/69/13/81/1013691381.db2.gz HGLLGDAAPJLTCV-AOIWGVFYSA-N 2 2 322.537 3.824 20 0 DHADLP CO[C@@H]1CC[N@H+](Cc2ccc(C3CCCCC3)cc2)[C@H](C[NH3+])C1 ZINC000520407574 1013732403 /nfs/dbraw/zinc/73/24/03/1013732403.db2.gz IOMWAHIORWKGKA-VQTJNVASSA-N 2 2 316.489 3.672 20 0 DHADLP CO[C@@H]1CC[N@@H+](Cc2ccc(C3CCCCC3)cc2)[C@H](C[NH3+])C1 ZINC000520407574 1013732411 /nfs/dbraw/zinc/73/24/11/1013732411.db2.gz IOMWAHIORWKGKA-VQTJNVASSA-N 2 2 316.489 3.672 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)F)cc1 ZINC000655848155 1013773623 /nfs/dbraw/zinc/77/36/23/1013773623.db2.gz GFFUXQXZUCONQI-IAOVAPTHSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(OC(F)F)cc1 ZINC000655848155 1013773629 /nfs/dbraw/zinc/77/36/29/1013773629.db2.gz GFFUXQXZUCONQI-IAOVAPTHSA-N 2 2 324.415 3.956 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000655850505 1013777443 /nfs/dbraw/zinc/77/74/43/1013777443.db2.gz WEZYOEJGRGWOSG-IAOVAPTHSA-N 2 2 306.425 3.502 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000655850505 1013777450 /nfs/dbraw/zinc/77/74/50/1013777450.db2.gz WEZYOEJGRGWOSG-IAOVAPTHSA-N 2 2 306.425 3.502 20 0 DHADLP Fc1ccc(C2CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000655848949 1013778881 /nfs/dbraw/zinc/77/88/81/1013778881.db2.gz MIDJONNYODGNNX-AWRGBYNESA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccc(C2CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000655848949 1013778886 /nfs/dbraw/zinc/77/88/86/1013778886.db2.gz MIDJONNYODGNNX-AWRGBYNESA-N 2 2 302.437 3.678 20 0 DHADLP CCc1noc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000340441400 1013795979 /nfs/dbraw/zinc/79/59/79/1013795979.db2.gz WLHGNNPBKMRMSX-YOEHRIQHSA-N 2 2 319.493 3.678 20 0 DHADLP Fc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1F ZINC000073621963 1013846484 /nfs/dbraw/zinc/84/64/84/1013846484.db2.gz OPQDQMRXBXKPPS-UHFFFAOYSA-N 2 2 316.395 3.719 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccccc1 ZINC000683690591 1013858634 /nfs/dbraw/zinc/85/86/34/1013858634.db2.gz LUYHPZXGQMZMFA-MSOLQXFVSA-N 2 2 321.424 3.964 20 0 DHADLP Cc1cc(C)nc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001167326369 1013885103 /nfs/dbraw/zinc/88/51/03/1013885103.db2.gz LJLJHKVIPBTJCJ-LJQANCHMSA-N 2 2 315.505 3.786 20 0 DHADLP Cc1cc(C)nc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001167326369 1013885111 /nfs/dbraw/zinc/88/51/11/1013885111.db2.gz LJLJHKVIPBTJCJ-LJQANCHMSA-N 2 2 315.505 3.786 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cccc(OCC3CCCCC3)c2)CC[NH2+]1 ZINC001210519850 1013908211 /nfs/dbraw/zinc/90/82/11/1013908211.db2.gz TZOFXGPWTSRWLB-QGZVFWFLSA-N 2 2 316.489 3.830 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CC[NH2+]1 ZINC001210519850 1013908222 /nfs/dbraw/zinc/90/82/22/1013908222.db2.gz TZOFXGPWTSRWLB-QGZVFWFLSA-N 2 2 316.489 3.830 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251040451 1013909686 /nfs/dbraw/zinc/90/96/86/1013909686.db2.gz CIKGSJGJVUJADH-KCPJHIHWSA-N 2 2 311.267 3.569 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251040451 1013909690 /nfs/dbraw/zinc/90/96/90/1013909690.db2.gz CIKGSJGJVUJADH-KCPJHIHWSA-N 2 2 311.267 3.569 20 0 DHADLP c1cc2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc2cn1 ZINC000683824653 1014045150 /nfs/dbraw/zinc/04/51/50/1014045150.db2.gz CZSNIPIEDQUMPL-UHFFFAOYSA-N 2 2 309.457 3.685 20 0 DHADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000013734500 1014132844 /nfs/dbraw/zinc/13/28/44/1014132844.db2.gz YGIZSEBAXYEEFE-UHFFFAOYSA-N 2 2 304.409 3.907 20 0 DHADLP Clc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441467886 1014181626 /nfs/dbraw/zinc/18/16/26/1014181626.db2.gz VYZMCIWOYCVDKA-MRXNPFEDSA-N 2 2 322.880 3.527 20 0 DHADLP Clc1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441467886 1014181633 /nfs/dbraw/zinc/18/16/33/1014181633.db2.gz VYZMCIWOYCVDKA-MRXNPFEDSA-N 2 2 322.880 3.527 20 0 DHADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC000190475168 1014252363 /nfs/dbraw/zinc/25/23/63/1014252363.db2.gz XTZVUJZLFUGYKJ-ISPXXFMDSA-N 2 2 321.468 3.549 20 0 DHADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC000190475168 1014252367 /nfs/dbraw/zinc/25/23/67/1014252367.db2.gz XTZVUJZLFUGYKJ-ISPXXFMDSA-N 2 2 321.468 3.549 20 0 DHADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000190475168 1014252375 /nfs/dbraw/zinc/25/23/75/1014252375.db2.gz XTZVUJZLFUGYKJ-ISPXXFMDSA-N 2 2 321.468 3.549 20 0 DHADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000190475168 1014252381 /nfs/dbraw/zinc/25/23/81/1014252381.db2.gz XTZVUJZLFUGYKJ-ISPXXFMDSA-N 2 2 321.468 3.549 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000317428943 1014266671 /nfs/dbraw/zinc/26/66/71/1014266671.db2.gz KEETUHMPDWIEDH-SJORKVTESA-N 2 2 301.409 3.714 20 0 DHADLP COc1ccccc1/C=C\C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255752722 1014342805 /nfs/dbraw/zinc/34/28/05/1014342805.db2.gz BWYLJSZDDKCUNN-YPLUBFQTSA-N 2 2 314.473 3.516 20 0 DHADLP COc1ccccc1/C=C\C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255752722 1014342812 /nfs/dbraw/zinc/34/28/12/1014342812.db2.gz BWYLJSZDDKCUNN-YPLUBFQTSA-N 2 2 314.473 3.516 20 0 DHADLP COc1ccccc1/C=C\C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255752691 1014343837 /nfs/dbraw/zinc/34/38/37/1014343837.db2.gz BWYLJSZDDKCUNN-CNRGFGOASA-N 2 2 314.473 3.516 20 0 DHADLP COc1ccccc1/C=C\C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255752691 1014343847 /nfs/dbraw/zinc/34/38/47/1014343847.db2.gz BWYLJSZDDKCUNN-CNRGFGOASA-N 2 2 314.473 3.516 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC34CCCC4)CC2)cc1 ZINC000760042073 1014383108 /nfs/dbraw/zinc/38/31/08/1014383108.db2.gz RLUQELUXQGBNOZ-LJQANCHMSA-N 2 2 313.489 3.644 20 0 DHADLP Cc1cc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc(C)c1F ZINC001143381730 1014420866 /nfs/dbraw/zinc/42/08/66/1014420866.db2.gz MIHNOJJEPGNKIY-UHFFFAOYSA-N 2 2 322.443 3.841 20 0 DHADLP CC(C)(C)OC1CC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895110594 1014433644 /nfs/dbraw/zinc/43/36/44/1014433644.db2.gz QCNOASMXSKLHMV-OJHJNGDYSA-N 2 2 317.477 3.504 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(Cc2cccc(F)c2F)c2cccc[nH+]2)CC1 ZINC000895111000 1014437453 /nfs/dbraw/zinc/43/74/53/1014437453.db2.gz HGKANZBVHNNZOL-SHTZXODSSA-N 2 2 317.383 3.636 20 0 DHADLP CCO[C@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895132732 1014516088 /nfs/dbraw/zinc/51/60/88/1014516088.db2.gz ZAUUGZPHFLMZJG-TVFCKZIOSA-N 2 2 317.477 3.506 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc12 ZINC000427849788 1014534919 /nfs/dbraw/zinc/53/49/19/1014534919.db2.gz GMTZFMDJYAXVEL-HUUCEWRRSA-N 2 2 321.424 3.711 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427839561 1014535631 /nfs/dbraw/zinc/53/56/31/1014535631.db2.gz FAHHPTNCYIKZIJ-TZMCWYRMSA-N 2 2 319.836 3.601 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)F)cc1 ZINC000427841737 1014536993 /nfs/dbraw/zinc/53/69/93/1014536993.db2.gz IULYMFOMIPAOMK-UKRRQHHQSA-N 2 2 321.371 3.540 20 0 DHADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000427874793 1014540020 /nfs/dbraw/zinc/54/00/20/1014540020.db2.gz IKOZFKAVXOIXKN-DOTOQJQBSA-N 2 2 303.837 3.838 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427877196 1014542223 /nfs/dbraw/zinc/54/22/23/1014542223.db2.gz OBHKNWWORWDIOP-NWDGAFQWSA-N 2 2 309.866 3.524 20 0 DHADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427884056 1014549020 /nfs/dbraw/zinc/54/90/20/1014549020.db2.gz RZWHVEQUGAZUJD-CTNGQTDRSA-N 2 2 317.436 3.886 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000665268161 1014604120 /nfs/dbraw/zinc/60/41/20/1014604120.db2.gz JBYNSXUDPFHQFJ-JLTOFOAXSA-N 2 2 318.424 3.793 20 0 DHADLP C[C@@H]1[C@H]([NH2+]CC[C@@H]2CC2(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000621768754 1014652684 /nfs/dbraw/zinc/65/26/84/1014652684.db2.gz UNYNOVGGGCGTBA-DJIMGWMZSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1[C@H]([NH2+]CC[C@@H]2CC2(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000621768754 1014652700 /nfs/dbraw/zinc/65/27/00/1014652700.db2.gz UNYNOVGGGCGTBA-DJIMGWMZSA-N 2 2 308.416 3.674 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000581350786 1014729724 /nfs/dbraw/zinc/72/97/24/1014729724.db2.gz NWASPCTUXJSGRC-KCITZHQASA-N 2 2 304.478 3.615 20 0 DHADLP CSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000442787528 1014734797 /nfs/dbraw/zinc/73/47/97/1014734797.db2.gz WWQJSTGHARULLC-KBPBESRZSA-N 2 2 301.459 3.833 20 0 DHADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000665295314 1014743966 /nfs/dbraw/zinc/74/39/66/1014743966.db2.gz BTRZIYAQFRYOBA-SMDDNHRTSA-N 2 2 319.449 3.524 20 0 DHADLP CCc1noc(C)c1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000276168389 1014776848 /nfs/dbraw/zinc/77/68/48/1014776848.db2.gz FAOCTHFWQPVVDC-ZDUSSCGKSA-N 2 2 310.401 3.582 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043622 1014814857 /nfs/dbraw/zinc/81/48/57/1014814857.db2.gz MTYDVIHGIXIBJW-ZBFHGGJFSA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043622 1014814869 /nfs/dbraw/zinc/81/48/69/1014814869.db2.gz MTYDVIHGIXIBJW-ZBFHGGJFSA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043622 1014814880 /nfs/dbraw/zinc/81/48/80/1014814880.db2.gz MTYDVIHGIXIBJW-ZBFHGGJFSA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043622 1014814894 /nfs/dbraw/zinc/81/48/94/1014814894.db2.gz MTYDVIHGIXIBJW-ZBFHGGJFSA-N 2 2 324.415 3.513 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)s1 ZINC000443211068 1014840844 /nfs/dbraw/zinc/84/08/44/1014840844.db2.gz KMTISWSZHLCGOY-GMTAPVOTSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)s1 ZINC000443211068 1014840860 /nfs/dbraw/zinc/84/08/60/1014840860.db2.gz KMTISWSZHLCGOY-GMTAPVOTSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456663 1014869767 /nfs/dbraw/zinc/86/97/67/1014869767.db2.gz PCWDASJKDHBGKJ-WFASDCNBSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456663 1014869782 /nfs/dbraw/zinc/86/97/82/1014869782.db2.gz PCWDASJKDHBGKJ-WFASDCNBSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456663 1014869793 /nfs/dbraw/zinc/86/97/93/1014869793.db2.gz PCWDASJKDHBGKJ-WFASDCNBSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456663 1014869807 /nfs/dbraw/zinc/86/98/07/1014869807.db2.gz PCWDASJKDHBGKJ-WFASDCNBSA-N 2 2 321.515 3.644 20 0 DHADLP CC(C)c1cc(N2CC[C@@H](CC[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000895325986 1015058938 /nfs/dbraw/zinc/05/89/38/1015058938.db2.gz XIILWQRGGDWJQH-OAHLLOKOSA-N 2 2 304.482 3.501 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207198885 1015063759 /nfs/dbraw/zinc/06/37/59/1015063759.db2.gz UBVBKLUQSRCYQY-WBVHZDCISA-N 2 2 303.837 3.662 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207198885 1015063766 /nfs/dbraw/zinc/06/37/66/1015063766.db2.gz UBVBKLUQSRCYQY-WBVHZDCISA-N 2 2 303.837 3.662 20 0 DHADLP Cc1cccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000684410460 1015288383 /nfs/dbraw/zinc/28/83/83/1015288383.db2.gz RDUVGXCDQFUBQY-FQEVSTJZSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000684410460 1015288389 /nfs/dbraw/zinc/28/83/89/1015288389.db2.gz RDUVGXCDQFUBQY-FQEVSTJZSA-N 2 2 323.484 3.575 20 0 DHADLP CC(C)C[C@H]1CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000474473920 1015387013 /nfs/dbraw/zinc/38/70/13/1015387013.db2.gz QVHXROFSKFLZET-SJORKVTESA-N 2 2 303.494 3.956 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474483701 1015395714 /nfs/dbraw/zinc/39/57/14/1015395714.db2.gz BRSBAOIVDNFUSY-YIYPIFLZSA-N 2 2 312.910 3.967 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474483701 1015395726 /nfs/dbraw/zinc/39/57/26/1015395726.db2.gz BRSBAOIVDNFUSY-YIYPIFLZSA-N 2 2 312.910 3.967 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000474488980 1015400676 /nfs/dbraw/zinc/40/06/76/1015400676.db2.gz MSRXOXWJJXRXAV-SOLBZPMBSA-N 2 2 306.494 3.753 20 0 DHADLP CCCSC[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000896036014 1015418692 /nfs/dbraw/zinc/41/86/92/1015418692.db2.gz ZGBDAWIUBKRQRA-NVXWUHKLSA-N 2 2 303.475 3.746 20 0 DHADLP Cc1cnccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294688858 1032116434 /nfs/dbraw/zinc/11/64/34/1032116434.db2.gz DOBLVCBFURJCAR-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cnccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294688858 1032116440 /nfs/dbraw/zinc/11/64/40/1032116440.db2.gz DOBLVCBFURJCAR-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cnccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000294688858 1032116447 /nfs/dbraw/zinc/11/64/47/1032116447.db2.gz DOBLVCBFURJCAR-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cnccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000294688858 1032116453 /nfs/dbraw/zinc/11/64/53/1032116453.db2.gz DOBLVCBFURJCAR-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP C[C@@H]1C[NH+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H](C)O1 ZINC001168039554 1015497941 /nfs/dbraw/zinc/49/79/41/1015497941.db2.gz GLBCKCOFBCMNOO-WNRNVDISSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)CC(F)F ZINC000647226337 1015869437 /nfs/dbraw/zinc/86/94/37/1015869437.db2.gz CMAXQQDNJDRHMC-HOCLYGCPSA-N 2 2 310.432 3.920 20 0 DHADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)CC(F)F ZINC000647226337 1015869444 /nfs/dbraw/zinc/86/94/44/1015869444.db2.gz CMAXQQDNJDRHMC-HOCLYGCPSA-N 2 2 310.432 3.920 20 0 DHADLP Clc1ncsc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000878403223 1033690548 /nfs/dbraw/zinc/69/05/48/1033690548.db2.gz YAKAMMHBTXPBSO-UHFFFAOYSA-N 2 2 324.881 3.685 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277319311 1016194894 /nfs/dbraw/zinc/19/48/94/1016194894.db2.gz CBDHIHGPYQUHDV-HNNXBMFYSA-N 2 2 312.404 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277319311 1016194898 /nfs/dbraw/zinc/19/48/98/1016194898.db2.gz CBDHIHGPYQUHDV-HNNXBMFYSA-N 2 2 312.404 3.513 20 0 DHADLP C[NH+](C)CC(C)(C)C[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC001207274425 1016307686 /nfs/dbraw/zinc/30/76/86/1016307686.db2.gz CBXCESDYQSTSLY-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP C[NH+](C)CC(C)(C)C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC001207274425 1016307690 /nfs/dbraw/zinc/30/76/90/1016307690.db2.gz CBXCESDYQSTSLY-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP Fc1cncc([C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C2CC2)c1 ZINC000281250081 1016412656 /nfs/dbraw/zinc/41/26/56/1016412656.db2.gz NWFNCUXJSRQSSO-IBGZPJMESA-N 2 2 322.387 3.647 20 0 DHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccc(O)cc2)CCC1 ZINC000387297696 1016414781 /nfs/dbraw/zinc/41/47/81/1016414781.db2.gz AEYNAOCIUPDERY-UHFFFAOYSA-N 2 2 310.441 3.537 20 0 DHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccc(O)cc2)CCC1 ZINC000387297696 1016414785 /nfs/dbraw/zinc/41/47/85/1016414785.db2.gz AEYNAOCIUPDERY-UHFFFAOYSA-N 2 2 310.441 3.537 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657354779 1016431378 /nfs/dbraw/zinc/43/13/78/1016431378.db2.gz ZTHQNBMPTAFERA-UHFFFAOYSA-N 2 2 322.537 3.824 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000152252834 1016434698 /nfs/dbraw/zinc/43/46/98/1016434698.db2.gz WXSWXCCINXRPHT-IBGZPJMESA-N 2 2 303.409 3.958 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000387450661 1016450190 /nfs/dbraw/zinc/45/01/90/1016450190.db2.gz QNZNFAFKOFOZON-RBUKOAKNSA-N 2 2 316.489 3.588 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000387450661 1016450198 /nfs/dbraw/zinc/45/01/98/1016450198.db2.gz QNZNFAFKOFOZON-RBUKOAKNSA-N 2 2 316.489 3.588 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443979673 1016559574 /nfs/dbraw/zinc/55/95/74/1016559574.db2.gz LBUYRULGVOTHSS-UHFFFAOYSA-N 2 2 321.412 3.514 20 0 DHADLP Cc1cc(NC2CC[NH+](CC3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000172014756 1016626586 /nfs/dbraw/zinc/62/65/86/1016626586.db2.gz ZCUSBBAXLYHTPU-UHFFFAOYSA-N 2 2 314.477 3.729 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)[nH]1 ZINC000342637094 1016902055 /nfs/dbraw/zinc/90/20/55/1016902055.db2.gz PRLPSYJUVBIFJA-HNNXBMFYSA-N 2 2 324.453 3.913 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)[nH]1 ZINC000342637094 1016902069 /nfs/dbraw/zinc/90/20/69/1016902069.db2.gz PRLPSYJUVBIFJA-HNNXBMFYSA-N 2 2 324.453 3.913 20 0 DHADLP Fc1cc(C2CC2)ccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657472452 1016949093 /nfs/dbraw/zinc/94/90/93/1016949093.db2.gz NSMCWTNDSNQPOH-UHFFFAOYSA-N 2 2 322.387 3.574 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC1(C)C ZINC000623378957 1017004294 /nfs/dbraw/zinc/00/42/94/1017004294.db2.gz ZRWQMPWIZVCNEG-RBUKOAKNSA-N 2 2 309.457 3.633 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC1(C)C ZINC000623378957 1017004297 /nfs/dbraw/zinc/00/42/97/1017004297.db2.gz ZRWQMPWIZVCNEG-RBUKOAKNSA-N 2 2 309.457 3.633 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CC1(C)C ZINC000623384976 1017009914 /nfs/dbraw/zinc/00/99/14/1017009914.db2.gz VTFXBETVIAERGV-GFCCVEGCSA-N 2 2 301.261 3.956 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CC1(C)C ZINC000623384976 1017009917 /nfs/dbraw/zinc/00/99/17/1017009917.db2.gz VTFXBETVIAERGV-GFCCVEGCSA-N 2 2 301.261 3.956 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000152798601 1017015039 /nfs/dbraw/zinc/01/50/39/1017015039.db2.gz ANIQDUWIMPLKRJ-DNVCBOLYSA-N 2 2 309.457 3.990 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCC(F)(F)CC1 ZINC000475194200 1017065301 /nfs/dbraw/zinc/06/53/01/1017065301.db2.gz KWIGUVYERUSFNE-CJNGLKHVSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCC(F)(F)CC1 ZINC000475194200 1017065310 /nfs/dbraw/zinc/06/53/10/1017065310.db2.gz KWIGUVYERUSFNE-CJNGLKHVSA-N 2 2 300.437 3.807 20 0 DHADLP CC(C)[C@@H]1C[C@H]([N@@H+]2Cc3cccc(Br)c3C2)CC[NH2+]1 ZINC001246794364 1032204128 /nfs/dbraw/zinc/20/41/28/1032204128.db2.gz DXGMVVAXSNRSDQ-CJNGLKHVSA-N 2 2 323.278 3.541 20 0 DHADLP CC(C)[C@@H]1C[C@H]([N@H+]2Cc3cccc(Br)c3C2)CC[NH2+]1 ZINC001246794364 1032204144 /nfs/dbraw/zinc/20/41/44/1032204144.db2.gz DXGMVVAXSNRSDQ-CJNGLKHVSA-N 2 2 323.278 3.541 20 0 DHADLP C[C@@H]1CC([NH+]2CC(C(F)F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168066104 1017260241 /nfs/dbraw/zinc/26/02/41/1017260241.db2.gz LIMFHXGLRPQRMB-ZIAGYGMSSA-N 2 2 308.416 3.625 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000091728085 1032452254 /nfs/dbraw/zinc/45/22/54/1032452254.db2.gz SWZPNJCBEYPGPE-YDHLFZDLSA-N 2 2 321.515 3.938 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000091728085 1032452263 /nfs/dbraw/zinc/45/22/63/1032452263.db2.gz SWZPNJCBEYPGPE-YDHLFZDLSA-N 2 2 321.515 3.938 20 0 DHADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000121759568 1032469814 /nfs/dbraw/zinc/46/98/14/1032469814.db2.gz PQXCREWPHGOCNS-MRXNPFEDSA-N 2 2 319.836 3.739 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2cccnc2)cc1 ZINC000925144566 1017302243 /nfs/dbraw/zinc/30/22/43/1017302243.db2.gz UUVCQSHHENXWBT-UXPWSPDFSA-N 2 2 309.457 3.552 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2cccnc2)cc1 ZINC000925144566 1017302255 /nfs/dbraw/zinc/30/22/55/1017302255.db2.gz UUVCQSHHENXWBT-UXPWSPDFSA-N 2 2 309.457 3.552 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1C(F)(F)F ZINC000348188691 1032495711 /nfs/dbraw/zinc/49/57/11/1032495711.db2.gz UGFFNNZFYJYBHK-VXGBXAGGSA-N 2 2 309.335 3.568 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093693021 1032552452 /nfs/dbraw/zinc/55/24/52/1032552452.db2.gz SAAXXPPXDPYUOF-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093693021 1032552457 /nfs/dbraw/zinc/55/24/57/1032552457.db2.gz SAAXXPPXDPYUOF-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP CC(C)n1c[nH+]cc1CNc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000424172260 1011938499 /nfs/dbraw/zinc/93/84/99/1011938499.db2.gz LJZCYIPTGNSMBA-UHFFFAOYSA-N 2 2 312.461 3.713 20 0 DHADLP CC(C)n1c[nH+]cc1CNc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000424172260 1011938509 /nfs/dbraw/zinc/93/85/09/1011938509.db2.gz LJZCYIPTGNSMBA-UHFFFAOYSA-N 2 2 312.461 3.713 20 0 DHADLP C1=C2CCC[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001167954427 1012178180 /nfs/dbraw/zinc/17/81/80/1012178180.db2.gz DJQZIBPQNFOONT-VQGLPFKNSA-N 2 2 312.501 3.680 20 0 DHADLP C1=C2CCC[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001167954427 1012178211 /nfs/dbraw/zinc/17/82/11/1012178211.db2.gz DJQZIBPQNFOONT-VQGLPFKNSA-N 2 2 312.501 3.680 20 0 DHADLP C1=C2CCC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001167954427 1012178220 /nfs/dbraw/zinc/17/82/20/1012178220.db2.gz DJQZIBPQNFOONT-VQGLPFKNSA-N 2 2 312.501 3.680 20 0 DHADLP C1=C2CCC[NH+]([C@@H]3C[C@H]4C[C@H]4C3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001167954427 1012178229 /nfs/dbraw/zinc/17/82/29/1012178229.db2.gz DJQZIBPQNFOONT-VQGLPFKNSA-N 2 2 312.501 3.680 20 0 DHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccc1C(F)(F)F ZINC001206769343 1012277472 /nfs/dbraw/zinc/27/74/72/1012277472.db2.gz OOIWXFLHFPDPHH-QWRGUYRKSA-N 2 2 320.786 3.918 20 0 DHADLP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccc1C(F)(F)F ZINC001206769343 1012277487 /nfs/dbraw/zinc/27/74/87/1012277487.db2.gz OOIWXFLHFPDPHH-QWRGUYRKSA-N 2 2 320.786 3.918 20 0 DHADLP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)c1Cl ZINC001206771023 1012352447 /nfs/dbraw/zinc/35/24/47/1012352447.db2.gz VSCGRJXXWPXOEA-VXGBXAGGSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Cl)c1Cl ZINC001206771023 1012352461 /nfs/dbraw/zinc/35/24/61/1012352461.db2.gz VSCGRJXXWPXOEA-VXGBXAGGSA-N 2 2 301.261 3.861 20 0 DHADLP CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000348041461 1012387404 /nfs/dbraw/zinc/38/74/04/1012387404.db2.gz NJQWQOBVJQQGJU-JKSUJKDBSA-N 2 2 314.477 3.562 20 0 DHADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCc3c(F)cccc3C2)c1 ZINC001171417827 1032624760 /nfs/dbraw/zinc/62/47/60/1032624760.db2.gz FUEWPPZMDKNCDP-KRWDZBQOSA-N 2 2 321.399 3.878 20 0 DHADLP CCC1(CC)CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000348414927 1032669417 /nfs/dbraw/zinc/66/94/17/1032669417.db2.gz VWBSGJFBHJFRLF-UHFFFAOYSA-N 2 2 309.523 3.997 20 0 DHADLP Clc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000179178801 1017219858 /nfs/dbraw/zinc/21/98/58/1017219858.db2.gz QIZJYMHBSMBHES-IUODEOHRSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000179178801 1017219869 /nfs/dbraw/zinc/21/98/69/1017219869.db2.gz QIZJYMHBSMBHES-IUODEOHRSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000179178801 1017219874 /nfs/dbraw/zinc/21/98/74/1017219874.db2.gz QIZJYMHBSMBHES-IUODEOHRSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000179178801 1017219881 /nfs/dbraw/zinc/21/98/81/1017219881.db2.gz QIZJYMHBSMBHES-IUODEOHRSA-N 2 2 310.894 3.850 20 0 DHADLP CC(C)(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000179676632 1017283829 /nfs/dbraw/zinc/28/38/29/1017283829.db2.gz RXKBFIOGMCPUHJ-INIZCTEOSA-N 2 2 307.388 3.928 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ccncc3)cc2)c[nH+]1 ZINC000125351167 1032702113 /nfs/dbraw/zinc/70/21/13/1032702113.db2.gz IGMJVSZYUUWXTB-LJQANCHMSA-N 2 2 304.397 3.604 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3c3ccncc3)cc2)c[nH+]1 ZINC000125351167 1032702128 /nfs/dbraw/zinc/70/21/28/1032702128.db2.gz IGMJVSZYUUWXTB-LJQANCHMSA-N 2 2 304.397 3.604 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCc3scnc32)c[nH+]1 ZINC000623858173 1017535392 /nfs/dbraw/zinc/53/53/92/1017535392.db2.gz DYPZZPICBHXLLV-INIZCTEOSA-N 2 2 324.453 3.555 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000623957487 1017606733 /nfs/dbraw/zinc/60/67/33/1017606733.db2.gz LBNKLAQGDVCXPC-SOUVJXGZSA-N 2 2 307.507 3.755 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000623957487 1017606739 /nfs/dbraw/zinc/60/67/39/1017606739.db2.gz LBNKLAQGDVCXPC-SOUVJXGZSA-N 2 2 307.507 3.755 20 0 DHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171465445 1032711673 /nfs/dbraw/zinc/71/16/73/1032711673.db2.gz JTBPGPZWGAKEGA-HOTGVXAUSA-N 2 2 322.443 3.532 20 0 DHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171465445 1032711690 /nfs/dbraw/zinc/71/16/90/1032711690.db2.gz JTBPGPZWGAKEGA-HOTGVXAUSA-N 2 2 322.443 3.532 20 0 DHADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000623974393 1017617864 /nfs/dbraw/zinc/61/78/64/1017617864.db2.gz DFLFNHFWDCXKDD-RDJZCZTQSA-N 2 2 315.486 3.624 20 0 DHADLP Cc1csc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623974393 1017617874 /nfs/dbraw/zinc/61/78/74/1017617874.db2.gz DFLFNHFWDCXKDD-RDJZCZTQSA-N 2 2 315.486 3.624 20 0 DHADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCCO1 ZINC000623990645 1017622418 /nfs/dbraw/zinc/62/24/18/1017622418.db2.gz IKVOZYISSVBPMP-CXAGYDPISA-N 2 2 319.836 3.573 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000342863097 1017623132 /nfs/dbraw/zinc/62/31/32/1017623132.db2.gz GAOCBGKYGIWMKM-UHFFFAOYSA-N 2 2 324.255 3.947 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000342863097 1017623141 /nfs/dbraw/zinc/62/31/41/1017623141.db2.gz GAOCBGKYGIWMKM-UHFFFAOYSA-N 2 2 324.255 3.947 20 0 DHADLP CC(C)c1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000624014834 1017637498 /nfs/dbraw/zinc/63/74/98/1017637498.db2.gz IOTXXJMQZMQNEK-JXFKEZNVSA-N 2 2 316.489 3.714 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CCC(F)(F)CC1 ZINC000624188580 1017761265 /nfs/dbraw/zinc/76/12/65/1017761265.db2.gz XMDGAEUFKQHUTI-CJNGLKHVSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CCC(F)(F)CC1 ZINC000624188580 1017761280 /nfs/dbraw/zinc/76/12/80/1017761280.db2.gz XMDGAEUFKQHUTI-CJNGLKHVSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171458164 1032721602 /nfs/dbraw/zinc/72/16/02/1032721602.db2.gz JCXWDGBUWCFXMM-WMLDXEAASA-N 2 2 322.443 3.532 20 0 DHADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000624256367 1017946711 /nfs/dbraw/zinc/94/67/11/1017946711.db2.gz PHJWLBXRWPGZSY-GOSISDBHSA-N 2 2 316.489 3.633 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000348753264 1017965028 /nfs/dbraw/zinc/96/50/28/1017965028.db2.gz IHOSLHIHFFDDRE-GJZGRUSLSA-N 2 2 322.412 3.688 20 0 DHADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000153885872 1018059504 /nfs/dbraw/zinc/05/95/04/1018059504.db2.gz UUJPPUOMRNOZNF-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000153885872 1018059513 /nfs/dbraw/zinc/05/95/13/1018059513.db2.gz UUJPPUOMRNOZNF-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000153885872 1018059528 /nfs/dbraw/zinc/05/95/28/1018059528.db2.gz UUJPPUOMRNOZNF-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000153885872 1018059538 /nfs/dbraw/zinc/05/95/38/1018059538.db2.gz UUJPPUOMRNOZNF-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP C[C@@H](CC[NH2+]Cc1ccncc1Cl)[N@H+](C)Cc1ccccc1 ZINC000379643566 1018074559 /nfs/dbraw/zinc/07/45/59/1018074559.db2.gz BIGKAQZXQWDXAM-HNNXBMFYSA-N 2 2 317.864 3.735 20 0 DHADLP C[C@@H](CC[NH2+]Cc1ccncc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000379643566 1018074574 /nfs/dbraw/zinc/07/45/74/1018074574.db2.gz BIGKAQZXQWDXAM-HNNXBMFYSA-N 2 2 317.864 3.735 20 0 DHADLP Cc1cc(N2CCC(n3cc[nH+]c3)CC2)c2cc(F)ccc2[nH+]1 ZINC000123574609 1018087415 /nfs/dbraw/zinc/08/74/15/1018087415.db2.gz YPKKUXIFOROZAE-UHFFFAOYSA-N 2 2 310.376 3.720 20 0 DHADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccns1 ZINC000925180631 1018128375 /nfs/dbraw/zinc/12/83/75/1018128375.db2.gz RBLKPKFYVTVBGB-ZFWWWQNUSA-N 2 2 312.442 3.511 20 0 DHADLP CC(C)Oc1ccccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000525271984 1018219651 /nfs/dbraw/zinc/21/96/51/1018219651.db2.gz FJYZDRIJCJXGTQ-SFHVURJKSA-N 2 2 304.478 3.780 20 0 DHADLP CC(C)Oc1ccccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000525271984 1018219660 /nfs/dbraw/zinc/21/96/60/1018219660.db2.gz FJYZDRIJCJXGTQ-SFHVURJKSA-N 2 2 304.478 3.780 20 0 DHADLP CC(C)Oc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000525271984 1018219669 /nfs/dbraw/zinc/21/96/69/1018219669.db2.gz FJYZDRIJCJXGTQ-SFHVURJKSA-N 2 2 304.478 3.780 20 0 DHADLP CC(C)Oc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000525271984 1018219678 /nfs/dbraw/zinc/21/96/78/1018219678.db2.gz FJYZDRIJCJXGTQ-SFHVURJKSA-N 2 2 304.478 3.780 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155140660 1018250200 /nfs/dbraw/zinc/25/02/00/1018250200.db2.gz KSDTVNICLXXQMA-KGLIPLIRSA-N 2 2 310.376 3.818 20 0 DHADLP Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343145815 1018256602 /nfs/dbraw/zinc/25/66/02/1018256602.db2.gz DKGMFYCZKMFAQB-CQSZACIVSA-N 2 2 321.827 3.773 20 0 DHADLP Fc1cccc(Cl)c1C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343145815 1018256608 /nfs/dbraw/zinc/25/66/08/1018256608.db2.gz DKGMFYCZKMFAQB-CQSZACIVSA-N 2 2 321.827 3.773 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c[nH+]1 ZINC000343150708 1018276690 /nfs/dbraw/zinc/27/66/90/1018276690.db2.gz FDSOBZCBTDDGKL-LEWJYISDSA-N 2 2 317.436 3.825 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000360044626 1018279825 /nfs/dbraw/zinc/27/98/25/1018279825.db2.gz GOGALOUZJVSJBA-KBPBESRZSA-N 2 2 312.442 3.746 20 0 DHADLP c1ccc(OCCCCC[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000446976441 1018307190 /nfs/dbraw/zinc/30/71/90/1018307190.db2.gz WSTQRVKYITZYGD-IBGZPJMESA-N 2 2 316.489 3.842 20 0 DHADLP c1ccc(OCCCCC[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000446976441 1018307206 /nfs/dbraw/zinc/30/72/06/1018307206.db2.gz WSTQRVKYITZYGD-IBGZPJMESA-N 2 2 316.489 3.842 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000447731235 1018460165 /nfs/dbraw/zinc/46/01/65/1018460165.db2.gz RVUICRUDGDFWKO-QGZVFWFLSA-N 2 2 306.881 3.956 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000447731235 1018460170 /nfs/dbraw/zinc/46/01/70/1018460170.db2.gz RVUICRUDGDFWKO-QGZVFWFLSA-N 2 2 306.881 3.956 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000447731234 1018461329 /nfs/dbraw/zinc/46/13/29/1018461329.db2.gz RVUICRUDGDFWKO-KRWDZBQOSA-N 2 2 306.881 3.956 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000447731234 1018461335 /nfs/dbraw/zinc/46/13/35/1018461335.db2.gz RVUICRUDGDFWKO-KRWDZBQOSA-N 2 2 306.881 3.956 20 0 DHADLP C[C@H]1CCCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000583571957 1018570188 /nfs/dbraw/zinc/57/01/88/1018570188.db2.gz IELDMSYQSSNDLB-ICSRJNTNSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@H]1CCCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000583571957 1018570197 /nfs/dbraw/zinc/57/01/97/1018570197.db2.gz IELDMSYQSSNDLB-ICSRJNTNSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@H]1CCCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000583571957 1018570207 /nfs/dbraw/zinc/57/02/07/1018570207.db2.gz IELDMSYQSSNDLB-ICSRJNTNSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@H]1CCCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000583571957 1018570214 /nfs/dbraw/zinc/57/02/14/1018570214.db2.gz IELDMSYQSSNDLB-ICSRJNTNSA-N 2 2 316.489 3.542 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c2ccccc12 ZINC000675834508 1018607383 /nfs/dbraw/zinc/60/73/83/1018607383.db2.gz VBIWRXWXYAHGIB-WBVHZDCISA-N 2 2 324.468 3.983 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc12 ZINC000675834508 1018607390 /nfs/dbraw/zinc/60/73/90/1018607390.db2.gz VBIWRXWXYAHGIB-WBVHZDCISA-N 2 2 324.468 3.983 20 0 DHADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cncs1 ZINC000675923541 1018626244 /nfs/dbraw/zinc/62/62/44/1018626244.db2.gz SRRIXJIIOQDMGR-ZFWWWQNUSA-N 2 2 312.442 3.511 20 0 DHADLP c1coc(-c2ncc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)s2)c1 ZINC000278442665 1018698976 /nfs/dbraw/zinc/69/89/76/1018698976.db2.gz LVDPWGGXNYQOFW-GFCCVEGCSA-N 2 2 314.414 3.506 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000427863832 1018709795 /nfs/dbraw/zinc/70/97/95/1018709795.db2.gz ZQNUHHQPGLRVOJ-CMPLNLGQSA-N 2 2 310.228 3.856 20 0 DHADLP COc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1C ZINC000278565304 1018840908 /nfs/dbraw/zinc/84/09/08/1018840908.db2.gz BVYUQQLMVWLMDL-UHFFFAOYSA-N 2 2 321.424 3.538 20 0 DHADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000657830815 1018979834 /nfs/dbraw/zinc/97/98/34/1018979834.db2.gz OUSQRRUTYOTYIN-QYZOEREBSA-N 2 2 309.457 3.846 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccn1 ZINC000159156103 1019008755 /nfs/dbraw/zinc/00/87/55/1019008755.db2.gz GCDWKDHMUHDYKK-IRXDYDNUSA-N 2 2 309.457 3.958 20 0 DHADLP c1ccc(N2CCC([NH2+]C3CCC(C4CCC4)CC3)CC2)[nH+]c1 ZINC000657837562 1019055704 /nfs/dbraw/zinc/05/57/04/1019055704.db2.gz UEJLLGIZZIOHBH-UHFFFAOYSA-N 2 2 313.489 3.999 20 0 DHADLP Clc1ccc(CCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959843 1019133213 /nfs/dbraw/zinc/13/32/13/1019133213.db2.gz AIIFTVWBMHOVIE-HNNXBMFYSA-N 2 2 303.837 3.875 20 0 DHADLP Clc1ccc(CCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959843 1019133217 /nfs/dbraw/zinc/13/32/17/1019133217.db2.gz AIIFTVWBMHOVIE-HNNXBMFYSA-N 2 2 303.837 3.875 20 0 DHADLP Clc1cccc(OCCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961777 1019134374 /nfs/dbraw/zinc/13/43/74/1019134374.db2.gz BYOUAAXSDPUFAX-AWEZNQCLSA-N 2 2 319.836 3.712 20 0 DHADLP Clc1cccc(OCCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080961777 1019134381 /nfs/dbraw/zinc/13/43/81/1019134381.db2.gz BYOUAAXSDPUFAX-AWEZNQCLSA-N 2 2 319.836 3.712 20 0 DHADLP CC[C@H](C[NH2+][C@H]1CCCc2cc(OC)ccc21)[NH+]1CCCC1 ZINC000347919029 1019165874 /nfs/dbraw/zinc/16/58/74/1019165874.db2.gz JYAZZDCSJUHDRM-APWZRJJASA-N 2 2 302.462 3.537 20 0 DHADLP COc1ccc(Cl)cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000035180227 1019206798 /nfs/dbraw/zinc/20/67/98/1019206798.db2.gz YLFMECIUGWAFGY-AWEZNQCLSA-N 2 2 310.869 3.703 20 0 DHADLP COc1ccc(Cl)cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000035180227 1019206809 /nfs/dbraw/zinc/20/68/09/1019206809.db2.gz YLFMECIUGWAFGY-AWEZNQCLSA-N 2 2 310.869 3.703 20 0 DHADLP c1ccc([C@@H]2CCC[C@H](C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)O2)cc1 ZINC000923531962 1019266932 /nfs/dbraw/zinc/26/69/32/1019266932.db2.gz YCSSNPPODFHVMR-AABGKKOBSA-N 2 2 314.473 3.515 20 0 DHADLP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)O2)cc1 ZINC000923531962 1019266944 /nfs/dbraw/zinc/26/69/44/1019266944.db2.gz YCSSNPPODFHVMR-AABGKKOBSA-N 2 2 314.473 3.515 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCSCc3ccccc3)C2)[nH]1 ZINC000090554482 1019408771 /nfs/dbraw/zinc/40/87/71/1019408771.db2.gz FJLNSIKFJZMVNN-KRWDZBQOSA-N 2 2 315.486 3.913 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCSCc3ccccc3)C2)[nH]1 ZINC000090554482 1019408781 /nfs/dbraw/zinc/40/87/81/1019408781.db2.gz FJLNSIKFJZMVNN-KRWDZBQOSA-N 2 2 315.486 3.913 20 0 DHADLP CCCCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072982 1019505197 /nfs/dbraw/zinc/50/51/97/1019505197.db2.gz ABTNGJMBFJUXCZ-QGZVFWFLSA-N 2 2 313.445 3.968 20 0 DHADLP CCCCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072982 1019505205 /nfs/dbraw/zinc/50/52/05/1019505205.db2.gz ABTNGJMBFJUXCZ-QGZVFWFLSA-N 2 2 313.445 3.968 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000093241116 1019570370 /nfs/dbraw/zinc/57/03/70/1019570370.db2.gz PSDBPGBDTNROLF-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000093241116 1019570386 /nfs/dbraw/zinc/57/03/86/1019570386.db2.gz PSDBPGBDTNROLF-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(C)ccc1OC ZINC000093398350 1019597584 /nfs/dbraw/zinc/59/75/84/1019597584.db2.gz CFIDEHKRLJQCGW-OKZBNKHCSA-N 2 2 302.462 3.671 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(C)ccc1OC ZINC000093398350 1019597598 /nfs/dbraw/zinc/59/75/98/1019597598.db2.gz CFIDEHKRLJQCGW-OKZBNKHCSA-N 2 2 302.462 3.671 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2cnccc2o1 ZINC000657867960 1019621916 /nfs/dbraw/zinc/62/19/16/1019621916.db2.gz LDKOXBRFDGGGJN-CQSZACIVSA-N 2 2 310.401 3.766 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@H]2CCCSCC2)cc1 ZINC000657882165 1019736828 /nfs/dbraw/zinc/73/68/28/1019736828.db2.gz JOMLNOOWPRPNBL-ROUUACIJSA-N 2 2 304.503 3.526 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@H]2CCCSCC2)cc1 ZINC000657882165 1019736842 /nfs/dbraw/zinc/73/68/42/1019736842.db2.gz JOMLNOOWPRPNBL-ROUUACIJSA-N 2 2 304.503 3.526 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000526983863 1019738621 /nfs/dbraw/zinc/73/86/21/1019738621.db2.gz KCWVXJWUKJZYCG-DNDYEEKYSA-N 2 2 306.416 3.675 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000526983863 1019738639 /nfs/dbraw/zinc/73/86/39/1019738639.db2.gz KCWVXJWUKJZYCG-DNDYEEKYSA-N 2 2 306.416 3.675 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc2ccccc2c1 ZINC000727645543 1019747513 /nfs/dbraw/zinc/74/75/13/1019747513.db2.gz QARBULULLUNKRR-GOSISDBHSA-N 2 2 308.429 3.636 20 0 DHADLP Cc1cccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1C ZINC000685467056 1019853399 /nfs/dbraw/zinc/85/33/99/1019853399.db2.gz VFCAXSMGXHGKDT-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP Cc1cccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1C ZINC000685467056 1019853416 /nfs/dbraw/zinc/85/34/16/1019853416.db2.gz VFCAXSMGXHGKDT-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP Cc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000168157187 1019888645 /nfs/dbraw/zinc/88/86/45/1019888645.db2.gz FSGXXUODHCJSBC-ZDUSSCGKSA-N 2 2 305.466 3.739 20 0 DHADLP FCC1(CF)CC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000658001886 1020084101 /nfs/dbraw/zinc/08/41/01/1020084101.db2.gz HMPBUCYFTOXPKQ-UHFFFAOYSA-N 2 2 314.464 3.710 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCCSCC1 ZINC000658022913 1020093328 /nfs/dbraw/zinc/09/33/28/1020093328.db2.gz GFUIRZJSAYCHGP-CYBMUJFWSA-N 2 2 321.877 3.901 20 0 DHADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000922665840 1020200374 /nfs/dbraw/zinc/20/03/74/1020200374.db2.gz ALEBWBYAZOHOQD-GFCCVEGCSA-N 2 2 307.438 3.503 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000347747182 1020289431 /nfs/dbraw/zinc/28/94/31/1020289431.db2.gz ZJRJQFPBIXEXKJ-UHFFFAOYSA-N 2 2 315.436 3.937 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000347747182 1020289433 /nfs/dbraw/zinc/28/94/33/1020289433.db2.gz ZJRJQFPBIXEXKJ-UHFFFAOYSA-N 2 2 315.436 3.937 20 0 DHADLP CC(C)C[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347631234 1020355842 /nfs/dbraw/zinc/35/58/42/1020355842.db2.gz FIJABXYZNJTNCX-UHFFFAOYSA-N 2 2 317.502 3.863 20 0 DHADLP CC(C)C[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347631234 1020355855 /nfs/dbraw/zinc/35/58/55/1020355855.db2.gz FIJABXYZNJTNCX-UHFFFAOYSA-N 2 2 317.502 3.863 20 0 DHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000096268572 1020359880 /nfs/dbraw/zinc/35/98/80/1020359880.db2.gz YVTFLCQESCQUJD-INIZCTEOSA-N 2 2 312.379 3.623 20 0 DHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000096268572 1020359890 /nfs/dbraw/zinc/35/98/90/1020359890.db2.gz YVTFLCQESCQUJD-INIZCTEOSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000096268572 1020359900 /nfs/dbraw/zinc/35/99/00/1020359900.db2.gz YVTFLCQESCQUJD-INIZCTEOSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000096268572 1020359910 /nfs/dbraw/zinc/35/99/10/1020359910.db2.gz YVTFLCQESCQUJD-INIZCTEOSA-N 2 2 312.379 3.623 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnc2ccsc2c1 ZINC000655849834 1020423748 /nfs/dbraw/zinc/42/37/48/1020423748.db2.gz ZCHDVBGXSOTJGC-LXZKKBNFSA-N 2 2 315.486 3.964 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnc2ccsc2c1 ZINC000655849834 1020423755 /nfs/dbraw/zinc/42/37/55/1020423755.db2.gz ZCHDVBGXSOTJGC-LXZKKBNFSA-N 2 2 315.486 3.964 20 0 DHADLP COc1cccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000150887195 1020456831 /nfs/dbraw/zinc/45/68/31/1020456831.db2.gz GLYTUZWEYOKIKK-UHFFFAOYSA-N 2 2 319.408 3.660 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(O)ccc1Cl ZINC000625373225 1020494394 /nfs/dbraw/zinc/49/43/94/1020494394.db2.gz NYHMSHUNTHFLSP-UHFFFAOYSA-N 2 2 321.852 3.717 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(O)ccc1Cl ZINC000625373225 1020494396 /nfs/dbraw/zinc/49/43/96/1020494396.db2.gz NYHMSHUNTHFLSP-UHFFFAOYSA-N 2 2 321.852 3.717 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)s1 ZINC000347864743 1020612414 /nfs/dbraw/zinc/61/24/14/1020612414.db2.gz NSPWXDWTRCXGRH-QGZVFWFLSA-N 2 2 305.491 3.527 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)s1 ZINC000347864743 1020612420 /nfs/dbraw/zinc/61/24/20/1020612420.db2.gz NSPWXDWTRCXGRH-QGZVFWFLSA-N 2 2 305.491 3.527 20 0 DHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(SC)CC1 ZINC000347864858 1020612448 /nfs/dbraw/zinc/61/24/48/1020612448.db2.gz YHWQCYUKBQAXSA-UHFFFAOYSA-N 2 2 319.518 3.516 20 0 DHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(SC)CC1 ZINC000347864858 1020612452 /nfs/dbraw/zinc/61/24/52/1020612452.db2.gz YHWQCYUKBQAXSA-UHFFFAOYSA-N 2 2 319.518 3.516 20 0 DHADLP CS[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000735324396 1020719525 /nfs/dbraw/zinc/71/95/25/1020719525.db2.gz QZVWFOGDOHFPMD-GJZGRUSLSA-N 2 2 319.449 3.775 20 0 DHADLP Cc1ccnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962097 1032929953 /nfs/dbraw/zinc/92/99/53/1032929953.db2.gz CCNOAPRHVRGCRU-IBGZPJMESA-N 2 2 323.484 3.923 20 0 DHADLP Cc1ccnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171962097 1032929969 /nfs/dbraw/zinc/92/99/69/1032929969.db2.gz CCNOAPRHVRGCRU-IBGZPJMESA-N 2 2 323.484 3.923 20 0 DHADLP Clc1ccc([C@H]2CCC[C@H]([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000414078387 1020858212 /nfs/dbraw/zinc/85/82/12/1020858212.db2.gz ZXWLXRXDBKOQSH-RDJZCZTQSA-N 2 2 303.837 3.853 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1C ZINC000414167565 1020955637 /nfs/dbraw/zinc/95/56/37/1020955637.db2.gz PLVQOYQAISOCHI-UTKZUKDTSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1C ZINC000414167565 1020955641 /nfs/dbraw/zinc/95/56/41/1020955641.db2.gz PLVQOYQAISOCHI-UTKZUKDTSA-N 2 2 323.484 3.699 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)C[C@H]1C ZINC000740881601 1020960812 /nfs/dbraw/zinc/96/08/12/1020960812.db2.gz CBNCIMHXPBZOAB-YPMHNXCESA-N 2 2 316.276 3.693 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)C[C@H]1C ZINC000740881601 1020960816 /nfs/dbraw/zinc/96/08/16/1020960816.db2.gz CBNCIMHXPBZOAB-YPMHNXCESA-N 2 2 316.276 3.693 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)nc(Cl)c2)C[C@H]1C ZINC000740881601 1020960820 /nfs/dbraw/zinc/96/08/20/1020960820.db2.gz CBNCIMHXPBZOAB-YPMHNXCESA-N 2 2 316.276 3.693 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)nc(Cl)c2)C[C@H]1C ZINC000740881601 1020960824 /nfs/dbraw/zinc/96/08/24/1020960824.db2.gz CBNCIMHXPBZOAB-YPMHNXCESA-N 2 2 316.276 3.693 20 0 DHADLP Cc1cc(C)cc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000740900280 1020962344 /nfs/dbraw/zinc/96/23/44/1020962344.db2.gz OKVCQRJVODOGQW-UHFFFAOYSA-N 2 2 323.415 3.961 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000766270339 1021002773 /nfs/dbraw/zinc/00/27/73/1021002773.db2.gz AQZHOEDHGMVJQU-DLBZAZTESA-N 2 2 309.457 3.884 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000766270339 1021002778 /nfs/dbraw/zinc/00/27/78/1021002778.db2.gz AQZHOEDHGMVJQU-DLBZAZTESA-N 2 2 309.457 3.884 20 0 DHADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000766271392 1021031425 /nfs/dbraw/zinc/03/14/25/1021031425.db2.gz FQIJOOXJDOXNLX-LRDDRELGSA-N 2 2 323.278 3.510 20 0 DHADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000766271392 1021031428 /nfs/dbraw/zinc/03/14/28/1021031428.db2.gz FQIJOOXJDOXNLX-LRDDRELGSA-N 2 2 323.278 3.510 20 0 DHADLP Cc1occc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000414361099 1021133942 /nfs/dbraw/zinc/13/39/42/1021133942.db2.gz PIWAFIKYHGFMST-LJQANCHMSA-N 2 2 309.413 3.932 20 0 DHADLP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C)o1 ZINC000163504212 1021178746 /nfs/dbraw/zinc/17/87/46/1021178746.db2.gz NADOTYPBJIIMFN-UHFFFAOYSA-N 2 2 312.457 3.693 20 0 DHADLP CC[N@@H+](Cc1ccoc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000414399334 1021199769 /nfs/dbraw/zinc/19/97/69/1021199769.db2.gz SGVWOFVMFWZERB-UHFFFAOYSA-N 2 2 313.445 3.722 20 0 DHADLP CC[N@H+](Cc1ccoc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000414399334 1021199779 /nfs/dbraw/zinc/19/97/79/1021199779.db2.gz SGVWOFVMFWZERB-UHFFFAOYSA-N 2 2 313.445 3.722 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC001202281890 1021201198 /nfs/dbraw/zinc/20/11/98/1021201198.db2.gz WOKIFYZFUDMSCF-IBGZPJMESA-N 2 2 300.490 3.644 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC001202281890 1021201205 /nfs/dbraw/zinc/20/12/05/1021201205.db2.gz WOKIFYZFUDMSCF-IBGZPJMESA-N 2 2 300.490 3.644 20 0 DHADLP F[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068030 1032993487 /nfs/dbraw/zinc/99/34/87/1032993487.db2.gz GQLXUCPQTBQNFA-AKHDSKFASA-N 2 2 302.437 3.616 20 0 DHADLP F[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172068030 1032993497 /nfs/dbraw/zinc/99/34/97/1032993497.db2.gz GQLXUCPQTBQNFA-AKHDSKFASA-N 2 2 302.437 3.616 20 0 DHADLP F[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172068030 1032993507 /nfs/dbraw/zinc/99/35/07/1032993507.db2.gz GQLXUCPQTBQNFA-AKHDSKFASA-N 2 2 302.437 3.616 20 0 DHADLP F[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172068030 1032993516 /nfs/dbraw/zinc/99/35/16/1032993516.db2.gz GQLXUCPQTBQNFA-AKHDSKFASA-N 2 2 302.437 3.616 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OC2CCCC2)CC[N@@H+]1C ZINC000093643807 1021638922 /nfs/dbraw/zinc/63/89/22/1021638922.db2.gz MFBPBABIDHYULU-SJLPKXTDSA-N 2 2 316.489 3.923 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OC2CCCC2)CC[N@H+]1C ZINC000093643807 1021638925 /nfs/dbraw/zinc/63/89/25/1021638925.db2.gz MFBPBABIDHYULU-SJLPKXTDSA-N 2 2 316.489 3.923 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OC2CCCC2)CC[NH+]1C ZINC000093643807 1021638927 /nfs/dbraw/zinc/63/89/27/1021638927.db2.gz MFBPBABIDHYULU-SJLPKXTDSA-N 2 2 316.489 3.923 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)CC[NH+]1C ZINC000093643807 1021638931 /nfs/dbraw/zinc/63/89/31/1021638931.db2.gz MFBPBABIDHYULU-SJLPKXTDSA-N 2 2 316.489 3.923 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)[C@H](C)C1 ZINC000093639457 1021639397 /nfs/dbraw/zinc/63/93/97/1021639397.db2.gz WIOKDIMMPASBRX-UKRRQHHQSA-N 2 2 309.523 3.603 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)[C@H](C)C1 ZINC000093639457 1021639401 /nfs/dbraw/zinc/63/94/01/1021639401.db2.gz WIOKDIMMPASBRX-UKRRQHHQSA-N 2 2 309.523 3.603 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)[C@H](C)C1 ZINC000093639457 1021639412 /nfs/dbraw/zinc/63/94/12/1021639412.db2.gz WIOKDIMMPASBRX-UKRRQHHQSA-N 2 2 309.523 3.603 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)[C@H](C)C1 ZINC000093639457 1021639416 /nfs/dbraw/zinc/63/94/16/1021639416.db2.gz WIOKDIMMPASBRX-UKRRQHHQSA-N 2 2 309.523 3.603 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)[N@H+](C)C1CC1 ZINC000498423173 1021656482 /nfs/dbraw/zinc/65/64/82/1021656482.db2.gz AOXBSTBRCOJFGU-KBXCAEBGSA-N 2 2 302.437 3.834 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)[N@@H+](C)C1CC1 ZINC000498423173 1021656487 /nfs/dbraw/zinc/65/64/87/1021656487.db2.gz AOXBSTBRCOJFGU-KBXCAEBGSA-N 2 2 302.437 3.834 20 0 DHADLP C[C@@H](CC[NH2+][C@@H]1CCc2cccnc21)[N@H+](C)Cc1ccccc1 ZINC000379646893 1021657119 /nfs/dbraw/zinc/65/71/19/1021657119.db2.gz JQQCKXJBJNUISN-QFBILLFUSA-N 2 2 309.457 3.569 20 0 DHADLP C[C@@H](CC[NH2+][C@@H]1CCc2cccnc21)[N@@H+](C)Cc1ccccc1 ZINC000379646893 1021657127 /nfs/dbraw/zinc/65/71/27/1021657127.db2.gz JQQCKXJBJNUISN-QFBILLFUSA-N 2 2 309.457 3.569 20 0 DHADLP C[C@@H]([N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556496001 1021738190 /nfs/dbraw/zinc/73/81/90/1021738190.db2.gz ZCTSCPCLDYAPAN-IEBWSBKVSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@@H]([N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556496001 1021738205 /nfs/dbraw/zinc/73/82/05/1021738205.db2.gz ZCTSCPCLDYAPAN-IEBWSBKVSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@@H]([NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556496001 1021738215 /nfs/dbraw/zinc/73/82/15/1021738215.db2.gz ZCTSCPCLDYAPAN-IEBWSBKVSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@@H]([NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC000556496001 1021738228 /nfs/dbraw/zinc/73/82/28/1021738228.db2.gz ZCTSCPCLDYAPAN-IEBWSBKVSA-N 2 2 318.505 3.644 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3cccc(Cl)c3)CC1)C2 ZINC001172106529 1033002573 /nfs/dbraw/zinc/00/25/73/1033002573.db2.gz PXNNTAWCANNVCM-OSYLJGHBSA-N 2 2 304.865 3.934 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3cccc(Cl)c3)CC1)C2 ZINC001172106529 1033002589 /nfs/dbraw/zinc/00/25/89/1033002589.db2.gz PXNNTAWCANNVCM-OSYLJGHBSA-N 2 2 304.865 3.934 20 0 DHADLP CCCSC[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000893080133 1021886206 /nfs/dbraw/zinc/88/62/06/1021886206.db2.gz NCSNIQKFFCNLHZ-RDJZCZTQSA-N 2 2 317.502 3.825 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1 ZINC000556871102 1021914600 /nfs/dbraw/zinc/91/46/00/1021914600.db2.gz JJUYBEQVKWYBTL-LSDHHAIUSA-N 2 2 312.461 3.550 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)[C@@H](C)C1 ZINC000746469449 1022120909 /nfs/dbraw/zinc/12/09/09/1022120909.db2.gz CGJGPSGUSMUFFN-AAEUAGOBSA-N 2 2 316.276 3.551 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)[C@@H](C)C1 ZINC000746469449 1022120914 /nfs/dbraw/zinc/12/09/14/1022120914.db2.gz CGJGPSGUSMUFFN-AAEUAGOBSA-N 2 2 316.276 3.551 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)nc(Cl)c2)[C@@H](C)C1 ZINC000746469449 1022120920 /nfs/dbraw/zinc/12/09/20/1022120920.db2.gz CGJGPSGUSMUFFN-AAEUAGOBSA-N 2 2 316.276 3.551 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)nc(Cl)c2)[C@@H](C)C1 ZINC000746469449 1022120925 /nfs/dbraw/zinc/12/09/25/1022120925.db2.gz CGJGPSGUSMUFFN-AAEUAGOBSA-N 2 2 316.276 3.551 20 0 DHADLP CC(C)c1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001168848783 1022161555 /nfs/dbraw/zinc/16/15/55/1022161555.db2.gz QGUANAJQLCSXMR-SFHVURJKSA-N 2 2 311.473 3.998 20 0 DHADLP CC(C)c1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001168848783 1022161560 /nfs/dbraw/zinc/16/15/60/1022161560.db2.gz QGUANAJQLCSXMR-SFHVURJKSA-N 2 2 311.473 3.998 20 0 DHADLP CC(C)c1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000624014835 1022178113 /nfs/dbraw/zinc/17/81/13/1022178113.db2.gz IOTXXJMQZMQNEK-OXJNMPFZSA-N 2 2 316.489 3.714 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc(Cl)n1 ZINC000797596826 1022178381 /nfs/dbraw/zinc/17/83/81/1022178381.db2.gz VQIZQGMNLHTIBX-UHFFFAOYSA-N 2 2 312.804 3.519 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000397910179 1022207404 /nfs/dbraw/zinc/20/74/04/1022207404.db2.gz HOGYSVQNPPDMLH-XUVXKRRUSA-N 2 2 316.489 3.588 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000397910179 1022207414 /nfs/dbraw/zinc/20/74/14/1022207414.db2.gz HOGYSVQNPPDMLH-XUVXKRRUSA-N 2 2 316.489 3.588 20 0 DHADLP CN(C)c1cc(Cl)[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169139317 1022267922 /nfs/dbraw/zinc/26/79/22/1022267922.db2.gz ZDKVCSBLADGPRH-SJKOYZFVSA-N 2 2 324.900 3.757 20 0 DHADLP Cc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c2c([nH+]1)CCCC2 ZINC001169145113 1022276559 /nfs/dbraw/zinc/27/65/59/1022276559.db2.gz SCAWQFGYBWOUTI-AUUYWEPGSA-N 2 2 316.493 3.619 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000268729240 1022373704 /nfs/dbraw/zinc/37/37/04/1022373704.db2.gz SHYADHJNXUDQIN-ZIFCJYIRSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000268729240 1022373717 /nfs/dbraw/zinc/37/37/17/1022373717.db2.gz SHYADHJNXUDQIN-ZIFCJYIRSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)[C@H]1C[C@@H]1c1cccs1 ZINC000367436671 1022394157 /nfs/dbraw/zinc/39/41/57/1022394157.db2.gz GYYLEFMWIWFPLP-YJNKXOJESA-N 2 2 301.459 3.604 20 0 DHADLP CC(C)CCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155749687 1022417416 /nfs/dbraw/zinc/41/74/16/1022417416.db2.gz FCNYIBXJLODVEH-MRXNPFEDSA-N 2 2 301.434 3.659 20 0 DHADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[NH+]1CCCC1 ZINC000671098023 1022423237 /nfs/dbraw/zinc/42/32/37/1022423237.db2.gz HUVCPYWFDJHCIK-INIZCTEOSA-N 2 2 313.489 3.910 20 0 DHADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CSc3ccccc3C2)C1 ZINC001172198567 1033056316 /nfs/dbraw/zinc/05/63/16/1033056316.db2.gz QGTPZYURQQIAHF-HOTGVXAUSA-N 2 2 304.503 3.556 20 0 DHADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CSc3ccccc3C2)C1 ZINC001172198567 1033056322 /nfs/dbraw/zinc/05/63/22/1033056322.db2.gz QGTPZYURQQIAHF-HOTGVXAUSA-N 2 2 304.503 3.556 20 0 DHADLP Cc1ccc(-c2cc[nH+]c(NCC34CC[NH+](CC3)CC4)c2)cc1 ZINC001169794606 1022548747 /nfs/dbraw/zinc/54/87/47/1022548747.db2.gz REKCWDXFROEHSR-UHFFFAOYSA-N 2 2 307.441 3.955 20 0 DHADLP Clc1cccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000237848677 1022571146 /nfs/dbraw/zinc/57/11/46/1022571146.db2.gz VFJSSNUNECMGLY-UHFFFAOYSA-N 2 2 311.816 3.858 20 0 DHADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CSc3ccccc3C2)cc1 ZINC001172199724 1033061873 /nfs/dbraw/zinc/06/18/73/1033061873.db2.gz DHCNKZAUAMBQQE-KRWDZBQOSA-N 2 2 321.449 3.898 20 0 DHADLP CCc1nocc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000660202691 1022703463 /nfs/dbraw/zinc/70/34/63/1022703463.db2.gz GLZYPFMAKAXYHD-CYBMUJFWSA-N 2 2 310.401 3.582 20 0 DHADLP CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290365008 1022928355 /nfs/dbraw/zinc/92/83/55/1022928355.db2.gz QYIICNRLMKTMNE-OAHLLOKOSA-N 2 2 301.434 3.586 20 0 DHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000163850433 1022932270 /nfs/dbraw/zinc/93/22/70/1022932270.db2.gz QNPGKHWGRGSGAV-SFHVURJKSA-N 2 2 311.429 3.559 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCSC[C@@H]3C3CCC3)cc2)c[nH+]1 ZINC000418131529 1022967406 /nfs/dbraw/zinc/96/74/06/1022967406.db2.gz WQOTUUVAJPAEQO-GOSISDBHSA-N 2 2 313.470 3.590 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCSC[C@@H]3C3CCC3)cc2)c[nH+]1 ZINC000418131529 1022967413 /nfs/dbraw/zinc/96/74/13/1022967413.db2.gz WQOTUUVAJPAEQO-GOSISDBHSA-N 2 2 313.470 3.590 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000294873379 1022989113 /nfs/dbraw/zinc/98/91/13/1022989113.db2.gz WUSGGNAMZOJGKC-OALUTQOASA-N 2 2 316.489 3.761 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)on2)cc1 ZINC000859213056 1033100612 /nfs/dbraw/zinc/10/06/12/1033100612.db2.gz QWZYQSIZBOJVPI-UHFFFAOYSA-N 2 2 315.461 3.666 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)on2)cc1 ZINC000859213056 1033100621 /nfs/dbraw/zinc/10/06/21/1033100621.db2.gz QWZYQSIZBOJVPI-UHFFFAOYSA-N 2 2 315.461 3.666 20 0 DHADLP CC(C)CC[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538586828 1033104348 /nfs/dbraw/zinc/10/43/48/1033104348.db2.gz GIOBDNFAMIYASS-INIZCTEOSA-N 2 2 318.509 3.849 20 0 DHADLP C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000769520783 1023173394 /nfs/dbraw/zinc/17/33/94/1023173394.db2.gz ZMSFLRKJAQXTKQ-HOTGVXAUSA-N 2 2 306.413 3.549 20 0 DHADLP C[NH+](C)CCC1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000876631949 1033111776 /nfs/dbraw/zinc/11/17/76/1033111776.db2.gz OMQVTNKFCGJLCI-UHFFFAOYSA-N 2 2 316.276 3.552 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cccnc1Cl ZINC000162744136 1023186651 /nfs/dbraw/zinc/18/66/51/1023186651.db2.gz CGJTYWMLUYTBTM-HNNXBMFYSA-N 2 2 317.864 3.908 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cccnc1Cl ZINC000162744136 1023186658 /nfs/dbraw/zinc/18/66/58/1023186658.db2.gz CGJTYWMLUYTBTM-HNNXBMFYSA-N 2 2 317.864 3.908 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000769872685 1023236171 /nfs/dbraw/zinc/23/61/71/1023236171.db2.gz HMCDSWKYYWZWRH-LBPRGKRZSA-N 2 2 319.424 3.597 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000769873466 1023236755 /nfs/dbraw/zinc/23/67/55/1023236755.db2.gz IJNSHHGIXBHREE-ZDUSSCGKSA-N 2 2 305.466 3.603 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000876661861 1033118160 /nfs/dbraw/zinc/11/81/60/1033118160.db2.gz IJKDRTVWORLXJB-UHFFFAOYSA-N 2 2 304.478 3.826 20 0 DHADLP CC[C@@H](C)OCC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172336677 1033119267 /nfs/dbraw/zinc/11/92/67/1033119267.db2.gz USOHTYQQYYXJCO-MHORFTMASA-N 2 2 319.493 3.752 20 0 DHADLP Fc1ccc2c(c1Cl)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000651670300 1023441859 /nfs/dbraw/zinc/44/18/59/1023441859.db2.gz CVFJNWKROOUTSE-OAHLLOKOSA-N 2 2 308.828 3.683 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000651949218 1023672058 /nfs/dbraw/zinc/67/20/58/1023672058.db2.gz GWQAZJKFLIRRKY-MRXNPFEDSA-N 2 2 306.425 3.502 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690923 1023693146 /nfs/dbraw/zinc/69/31/46/1023693146.db2.gz XQHGTYLLMBLVRI-INIZCTEOSA-N 2 2 301.409 3.752 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000661690923 1023693151 /nfs/dbraw/zinc/69/31/51/1023693151.db2.gz XQHGTYLLMBLVRI-INIZCTEOSA-N 2 2 301.409 3.752 20 0 DHADLP CC[C@H]([NH2+]CCC[N@H+](CC)C1CCCCC1)c1nccn1C ZINC000652238094 1023708260 /nfs/dbraw/zinc/70/82/60/1023708260.db2.gz SRMRJCQNNWNPPR-KRWDZBQOSA-N 2 2 306.498 3.506 20 0 DHADLP CC[C@H]([NH2+]CCC[N@@H+](CC)C1CCCCC1)c1nccn1C ZINC000652238094 1023708268 /nfs/dbraw/zinc/70/82/68/1023708268.db2.gz SRMRJCQNNWNPPR-KRWDZBQOSA-N 2 2 306.498 3.506 20 0 DHADLP CCOCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC001172409125 1033156875 /nfs/dbraw/zinc/15/68/75/1033156875.db2.gz PXJIONZXSQYEBN-PWIZWCRZSA-N 2 2 312.457 3.832 20 0 DHADLP Cc1c([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cnn1C(C)C ZINC000786896635 1023735822 /nfs/dbraw/zinc/73/58/22/1023735822.db2.gz BKUYRZQUMHRHKZ-YOEHRIQHSA-N 2 2 317.481 3.734 20 0 DHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@H](C)[C@@H](C)C2)[nH+]c1 ZINC001172384623 1033170313 /nfs/dbraw/zinc/17/03/13/1033170313.db2.gz VOFOKSJRDNAHTN-XYJFISCASA-N 2 2 301.478 3.773 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788585771 1023910592 /nfs/dbraw/zinc/91/05/92/1023910592.db2.gz WZTNYIUCDAPRBA-YIYPIFLZSA-N 2 2 312.910 3.967 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788585771 1023910595 /nfs/dbraw/zinc/91/05/95/1023910595.db2.gz WZTNYIUCDAPRBA-YIYPIFLZSA-N 2 2 312.910 3.967 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+][C@H]1COCc2cccc(Cl)c21)C(C)(C)C ZINC000788602150 1023911034 /nfs/dbraw/zinc/91/10/34/1023911034.db2.gz AFPZHOQRBCINDA-HOTGVXAUSA-N 2 2 324.896 3.867 20 0 DHADLP CC1=CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000788616170 1023914410 /nfs/dbraw/zinc/91/44/10/1023914410.db2.gz XRSGEEILXBIJOM-KRWDZBQOSA-N 2 2 313.489 3.810 20 0 DHADLP CCC1([NH3+])CC[NH+]([C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000925757211 1023980416 /nfs/dbraw/zinc/98/04/16/1023980416.db2.gz FLKSAWLHMGDNGV-SFHVURJKSA-N 2 2 313.420 3.513 20 0 DHADLP Clc1cccc(SCC[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000662245025 1024024780 /nfs/dbraw/zinc/02/47/80/1024024780.db2.gz LMQQLPUBKPDCCH-UHFFFAOYSA-N 2 2 324.921 3.896 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCc3ccccc32)c[nH+]1 ZINC000268735100 1024149821 /nfs/dbraw/zinc/14/98/21/1024149821.db2.gz BGAQKIGWXDPDHI-HXUWFJFHSA-N 2 2 303.409 3.709 20 0 DHADLP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268771324 1024155014 /nfs/dbraw/zinc/15/50/14/1024155014.db2.gz PXFTXPKDONYVCH-MRXNPFEDSA-N 2 2 323.415 3.791 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@H](C)C1 ZINC000268780827 1024158364 /nfs/dbraw/zinc/15/83/64/1024158364.db2.gz AIQQHCWMWPPZSI-YPMHNXCESA-N 2 2 323.893 3.770 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@H](C)C1 ZINC000268780827 1024158372 /nfs/dbraw/zinc/15/83/72/1024158372.db2.gz AIQQHCWMWPPZSI-YPMHNXCESA-N 2 2 323.893 3.770 20 0 DHADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268785917 1024160496 /nfs/dbraw/zinc/16/04/96/1024160496.db2.gz VQFROHHOKUHJIU-KKSFZXQISA-N 2 2 317.436 3.955 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000268809957 1024166456 /nfs/dbraw/zinc/16/64/56/1024166456.db2.gz KPWDDKQLSJQJOD-HZPDHXFCSA-N 2 2 306.413 3.684 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000268814019 1024168321 /nfs/dbraw/zinc/16/83/21/1024168321.db2.gz LUSHYVOXTOWFGR-STQMWFEESA-N 2 2 309.360 3.532 20 0 DHADLP COCc1c(C)cc(C)c(C[NH2+]CCCCn2cc[nH+]c2)c1C ZINC000882911064 1024169320 /nfs/dbraw/zinc/16/93/20/1024169320.db2.gz JHFRWQOGIXALMS-UHFFFAOYSA-N 2 2 315.461 3.525 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC)C1CCOCC1 ZINC000531677838 1024265757 /nfs/dbraw/zinc/26/57/57/1024265757.db2.gz DGQRWXXIJNJHNC-UXHICEINSA-N 2 2 318.505 3.864 20 0 DHADLP CC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC)C1CCOCC1 ZINC000531677834 1024267071 /nfs/dbraw/zinc/26/70/71/1024267071.db2.gz DGQRWXXIJNJHNC-PMACEKPBSA-N 2 2 318.505 3.864 20 0 DHADLP CC(C)COCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172485844 1033198039 /nfs/dbraw/zinc/19/80/39/1033198039.db2.gz ZIGLUVYIOABMIW-KRWDZBQOSA-N 2 2 315.461 3.755 20 0 DHADLP CC(C)COCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172485844 1033198048 /nfs/dbraw/zinc/19/80/48/1033198048.db2.gz ZIGLUVYIOABMIW-KRWDZBQOSA-N 2 2 315.461 3.755 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC000531682561 1024269803 /nfs/dbraw/zinc/26/98/03/1024269803.db2.gz RDGIRLMXYZWNCQ-VBNZEHGJSA-N 2 2 308.466 3.825 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1F ZINC000531682561 1024269815 /nfs/dbraw/zinc/26/98/15/1024269815.db2.gz RDGIRLMXYZWNCQ-VBNZEHGJSA-N 2 2 308.466 3.825 20 0 DHADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000348225818 1024333101 /nfs/dbraw/zinc/33/31/01/1024333101.db2.gz HTVRKSJKPRCWBD-WFASDCNBSA-N 2 2 309.335 3.645 20 0 DHADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000348225818 1024333116 /nfs/dbraw/zinc/33/31/16/1024333116.db2.gz HTVRKSJKPRCWBD-WFASDCNBSA-N 2 2 309.335 3.645 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000883386658 1024420165 /nfs/dbraw/zinc/42/01/65/1024420165.db2.gz KQEXFCMACZCNOO-YLJYHZDGSA-N 2 2 320.440 3.987 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883387599 1024420243 /nfs/dbraw/zinc/42/02/43/1024420243.db2.gz ABQGBNJIJNHDNZ-QFBILLFUSA-N 2 2 306.413 3.679 20 0 DHADLP CCOC1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883387858 1024422207 /nfs/dbraw/zinc/42/22/07/1024422207.db2.gz GSDNPVALPUNUAG-CTWPCTMYSA-N 2 2 313.445 3.562 20 0 DHADLP COc1cc(C)ccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883397841 1024428055 /nfs/dbraw/zinc/42/80/55/1024428055.db2.gz XGJHENQEKWLIMQ-LJQANCHMSA-N 2 2 321.424 3.731 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cscn1 ZINC000271127255 1024458827 /nfs/dbraw/zinc/45/88/27/1024458827.db2.gz KSWJEDIWBRIUHX-AWEZNQCLSA-N 2 2 301.459 3.590 20 0 DHADLP C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000132210975 1024464217 /nfs/dbraw/zinc/46/42/17/1024464217.db2.gz JMZMRASTFJUZNH-UZLBHIALSA-N 2 2 315.505 3.890 20 0 DHADLP c1ccc2ncc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000271253176 1024477686 /nfs/dbraw/zinc/47/76/86/1024477686.db2.gz FEDJYTBVAWCDOC-GHTZIAJQSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2ncc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000271253176 1024477691 /nfs/dbraw/zinc/47/76/91/1024477691.db2.gz FEDJYTBVAWCDOC-GHTZIAJQSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2c1 ZINC000271253176 1024477692 /nfs/dbraw/zinc/47/76/92/1024477692.db2.gz FEDJYTBVAWCDOC-GHTZIAJQSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2c1 ZINC000271253176 1024477697 /nfs/dbraw/zinc/47/76/97/1024477697.db2.gz FEDJYTBVAWCDOC-GHTZIAJQSA-N 2 2 321.468 3.684 20 0 DHADLP c1c(CC[NH2+][C@@H](CC2CC2)c2ccccc2)[nH+]c2n1CCCC2 ZINC000532193285 1024572236 /nfs/dbraw/zinc/57/22/36/1024572236.db2.gz CWZNYYDSVVPSQL-IBGZPJMESA-N 2 2 309.457 3.893 20 0 DHADLP Oc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000585748883 1024595081 /nfs/dbraw/zinc/59/50/81/1024595081.db2.gz SBMKHUDHLNPCNJ-HXUWFJFHSA-N 2 2 319.408 3.915 20 0 DHADLP Oc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000585748883 1024595084 /nfs/dbraw/zinc/59/50/84/1024595084.db2.gz SBMKHUDHLNPCNJ-HXUWFJFHSA-N 2 2 319.408 3.915 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(Cl)sc1Cl ZINC000221996792 1024612255 /nfs/dbraw/zinc/61/22/55/1024612255.db2.gz PBQSGMBHEGKEQS-DTWKUNHWSA-N 2 2 304.246 3.991 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000348268290 1024641440 /nfs/dbraw/zinc/64/14/40/1024641440.db2.gz DPLLXQHEHIJESM-LIRRHRJNSA-N 2 2 300.446 3.839 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)CCO1 ZINC001170164419 1024653096 /nfs/dbraw/zinc/65/30/96/1024653096.db2.gz JSYYNJRCZPQJFF-DOIPELPJSA-N 2 2 324.468 3.975 20 0 DHADLP C[N@@H+](CCCc1c(F)cccc1Cl)CCCn1cc[nH+]c1 ZINC000349385757 1024711870 /nfs/dbraw/zinc/71/18/70/1024711870.db2.gz RIOWMWZTKPBCGY-UHFFFAOYSA-N 2 2 309.816 3.630 20 0 DHADLP C[N@H+](CCCc1c(F)cccc1Cl)CCCn1cc[nH+]c1 ZINC000349385757 1024711879 /nfs/dbraw/zinc/71/18/79/1024711879.db2.gz RIOWMWZTKPBCGY-UHFFFAOYSA-N 2 2 309.816 3.630 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001170265773 1024719212 /nfs/dbraw/zinc/71/92/12/1024719212.db2.gz JGSFGZLEZYSTCD-OAHLLOKOSA-N 2 2 306.881 3.831 20 0 DHADLP CSC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000318388374 1024725853 /nfs/dbraw/zinc/72/58/53/1024725853.db2.gz HDYHBJQFSDOGNH-UHFFFAOYSA-N 2 2 319.518 3.706 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001170288348 1024736559 /nfs/dbraw/zinc/73/65/59/1024736559.db2.gz NSZSIMNGSIXTGQ-AWEZNQCLSA-N 2 2 303.837 3.805 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001168166777 1024743278 /nfs/dbraw/zinc/74/32/78/1024743278.db2.gz KXUNHTCAAPUGNM-AUUYWEPGSA-N 2 2 314.860 3.657 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001168166777 1024743287 /nfs/dbraw/zinc/74/32/87/1024743287.db2.gz KXUNHTCAAPUGNM-AUUYWEPGSA-N 2 2 314.860 3.657 20 0 DHADLP Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]c1 ZINC001170330930 1024745893 /nfs/dbraw/zinc/74/58/93/1024745893.db2.gz XWMQUWLFTWHYKQ-LDLYASANSA-N 2 2 307.441 3.998 20 0 DHADLP Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]c1 ZINC001170330930 1024745899 /nfs/dbraw/zinc/74/58/99/1024745899.db2.gz XWMQUWLFTWHYKQ-LDLYASANSA-N 2 2 307.441 3.998 20 0 DHADLP CCC[C@H](CC)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373484934 1024768933 /nfs/dbraw/zinc/76/89/33/1024768933.db2.gz MRMACYOXCKWRET-NFOMZHRRSA-N 2 2 306.416 3.960 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000349964691 1024776452 /nfs/dbraw/zinc/77/64/52/1024776452.db2.gz KKJYGBJPAVXZOK-SJLPKXTDSA-N 2 2 319.493 3.535 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000349964691 1024776468 /nfs/dbraw/zinc/77/64/68/1024776468.db2.gz KKJYGBJPAVXZOK-SJLPKXTDSA-N 2 2 319.493 3.535 20 0 DHADLP Cc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1F ZINC001202664243 1024795251 /nfs/dbraw/zinc/79/52/51/1024795251.db2.gz CIEDQRMIZLTGEB-UHFFFAOYSA-N 2 2 309.388 3.669 20 0 DHADLP C[N@H+](CCNc1cc[nH+]c2c(Br)cccc12)C1CC1 ZINC000350716838 1024842948 /nfs/dbraw/zinc/84/29/48/1024842948.db2.gz YFGCJRPTXFQWSW-UHFFFAOYSA-N 2 2 320.234 3.503 20 0 DHADLP C[N@@H+](CCNc1cc[nH+]c2c(Br)cccc12)C1CC1 ZINC000350716838 1024842966 /nfs/dbraw/zinc/84/29/66/1024842966.db2.gz YFGCJRPTXFQWSW-UHFFFAOYSA-N 2 2 320.234 3.503 20 0 DHADLP Cc1cc(C)cc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)cc2)c1 ZINC000237652231 1024965072 /nfs/dbraw/zinc/96/50/72/1024965072.db2.gz JWNDGBRUPLEFTP-UHFFFAOYSA-N 2 2 305.425 3.957 20 0 DHADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccc(F)cc2O1 ZINC000119685548 1024988260 /nfs/dbraw/zinc/98/82/60/1024988260.db2.gz NHBQAISJOLUDSU-QGZVFWFLSA-N 2 2 318.436 3.644 20 0 DHADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000320161253 1025010216 /nfs/dbraw/zinc/01/02/16/1025010216.db2.gz MWFUWIXPIKJZHG-HNNXBMFYSA-N 2 2 302.462 3.751 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001168187139 1025017976 /nfs/dbraw/zinc/01/79/76/1025017976.db2.gz FPCPFZITWJWSNL-ZFWWWQNUSA-N 2 2 303.837 3.807 20 0 DHADLP FCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000353437962 1025067722 /nfs/dbraw/zinc/06/77/22/1025067722.db2.gz SWGXBFAEQCWSPA-ROUUACIJSA-N 2 2 301.409 3.549 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)s1 ZINC000353642850 1025171078 /nfs/dbraw/zinc/17/10/78/1025171078.db2.gz JBXPCFKWBDVHNX-MRXNPFEDSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)s1 ZINC000353642850 1025171098 /nfs/dbraw/zinc/17/10/98/1025171098.db2.gz JBXPCFKWBDVHNX-MRXNPFEDSA-N 2 2 315.486 3.584 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000122975110 1025244748 /nfs/dbraw/zinc/24/47/48/1025244748.db2.gz UKMFKSOAUHCPMX-OAHLLOKOSA-N 2 2 320.477 3.619 20 0 DHADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CCC(C)CC1)[C@H]2C ZINC001168214976 1025327989 /nfs/dbraw/zinc/32/79/89/1025327989.db2.gz JVBQAZGHKFDSSS-CGZBRXJRSA-N 2 2 318.509 3.679 20 0 DHADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CCC(C)CC1)[C@H]2C ZINC001168214976 1025328007 /nfs/dbraw/zinc/32/80/07/1025328007.db2.gz JVBQAZGHKFDSSS-CGZBRXJRSA-N 2 2 318.509 3.679 20 0 DHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CCC(C)CC1)[C@H]2C ZINC001168214976 1025328023 /nfs/dbraw/zinc/32/80/23/1025328023.db2.gz JVBQAZGHKFDSSS-CGZBRXJRSA-N 2 2 318.509 3.679 20 0 DHADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CCC(C)CC1)[C@H]2C ZINC001168214976 1025328034 /nfs/dbraw/zinc/32/80/34/1025328034.db2.gz JVBQAZGHKFDSSS-CGZBRXJRSA-N 2 2 318.509 3.679 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccc3oc4ccccc4c3c1)CC2 ZINC000893707598 1025339051 /nfs/dbraw/zinc/33/90/51/1025339051.db2.gz WEMNOVWXQVLCEQ-HNNXBMFYSA-N 2 2 317.392 3.887 20 0 DHADLP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354106026 1025352586 /nfs/dbraw/zinc/35/25/86/1025352586.db2.gz GQZRMHYMSCZYTN-INIZCTEOSA-N 2 2 321.534 3.505 20 0 DHADLP CC(C)Cc1ncc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354106026 1025352597 /nfs/dbraw/zinc/35/25/97/1025352597.db2.gz GQZRMHYMSCZYTN-INIZCTEOSA-N 2 2 321.534 3.505 20 0 DHADLP CC(C)Cc1ncc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000354106026 1025352611 /nfs/dbraw/zinc/35/26/11/1025352611.db2.gz GQZRMHYMSCZYTN-INIZCTEOSA-N 2 2 321.534 3.505 20 0 DHADLP CC(C)Cc1ncc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000354106026 1025352624 /nfs/dbraw/zinc/35/26/24/1025352624.db2.gz GQZRMHYMSCZYTN-INIZCTEOSA-N 2 2 321.534 3.505 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000123723320 1025394217 /nfs/dbraw/zinc/39/42/17/1025394217.db2.gz VHSWCXOULFUHJK-CQSZACIVSA-N 2 2 303.837 3.528 20 0 DHADLP Fc1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000320307719 1025412863 /nfs/dbraw/zinc/41/28/63/1025412863.db2.gz LEVBJVMELIDXIZ-HXUWFJFHSA-N 2 2 312.432 3.991 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000885951441 1025417393 /nfs/dbraw/zinc/41/73/93/1025417393.db2.gz IOYZMNNVDOQBQM-ROUUACIJSA-N 2 2 308.510 3.578 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@H](CC4CC4)C3)sc2C1 ZINC000354523046 1025447361 /nfs/dbraw/zinc/44/73/61/1025447361.db2.gz BVUYBSLYDSHFSL-HNNXBMFYSA-N 2 2 319.518 3.532 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@H](CC4CC4)C3)sc2C1 ZINC000354523046 1025447368 /nfs/dbraw/zinc/44/73/68/1025447368.db2.gz BVUYBSLYDSHFSL-HNNXBMFYSA-N 2 2 319.518 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@H](CC4CC4)C3)sc2C1 ZINC000354523046 1025447373 /nfs/dbraw/zinc/44/73/73/1025447373.db2.gz BVUYBSLYDSHFSL-HNNXBMFYSA-N 2 2 319.518 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@H](CC4CC4)C3)sc2C1 ZINC000354523046 1025447378 /nfs/dbraw/zinc/44/73/78/1025447378.db2.gz BVUYBSLYDSHFSL-HNNXBMFYSA-N 2 2 319.518 3.532 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCC3)C1 ZINC000354551429 1025454964 /nfs/dbraw/zinc/45/49/64/1025454964.db2.gz ZJUHMYDUYQSSFY-BEFAXECRSA-N 2 2 307.441 3.818 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc3c(c[nH+]2)CCC3)C1 ZINC000354551429 1025454967 /nfs/dbraw/zinc/45/49/67/1025454967.db2.gz ZJUHMYDUYQSSFY-BEFAXECRSA-N 2 2 307.441 3.818 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000125273261 1025463147 /nfs/dbraw/zinc/46/31/47/1025463147.db2.gz BUMWTBYLWJEQSD-UHFFFAOYSA-N 2 2 316.367 3.501 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000125273261 1025463152 /nfs/dbraw/zinc/46/31/52/1025463152.db2.gz BUMWTBYLWJEQSD-UHFFFAOYSA-N 2 2 316.367 3.501 20 0 DHADLP c1cn(C[C@@H]([NH2+]CCOC2CCCCC2)c2ccccc2)c[nH+]1 ZINC000886319610 1025592226 /nfs/dbraw/zinc/59/22/26/1025592226.db2.gz IWYXJOOOLZIAPU-LJQANCHMSA-N 2 2 313.445 3.563 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](Cc2cc3c(cccc3O)s2)CC1 ZINC000893986511 1025643811 /nfs/dbraw/zinc/64/38/11/1025643811.db2.gz CHRRJZGEDKIWOY-UHFFFAOYSA-N 2 2 304.459 3.569 20 0 DHADLP [NH2+]=C(Nc1cc(F)cc(F)c1-c1ccccc1)SCC[NH3+] ZINC001167914962 1025742522 /nfs/dbraw/zinc/74/25/22/1025742522.db2.gz BXMAALCOISCZGV-UHFFFAOYSA-N 2 2 307.369 3.670 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3ccc(C)nc3Cl)CC2)[nH+]c1C ZINC000886659861 1025766687 /nfs/dbraw/zinc/76/66/87/1025766687.db2.gz XHHDBDOEGFBBHT-UHFFFAOYSA-N 2 2 318.852 3.763 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)[nH+]c1C ZINC000886667474 1025773295 /nfs/dbraw/zinc/77/32/95/1025773295.db2.gz BFBPINRATJCWLD-UHFFFAOYSA-N 2 2 316.449 3.692 20 0 DHADLP CN(c1ccc([NH2+][C@H]2CC[C@@H]2C2CC2)cc1)C1CC[NH+](C)CC1 ZINC000806151066 1025811299 /nfs/dbraw/zinc/81/12/99/1025811299.db2.gz HUZAICJNKBJUAA-UXHICEINSA-N 2 2 313.489 3.818 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cscc2C(F)(F)F)[C@H](C)C1 ZINC000356109399 1025947358 /nfs/dbraw/zinc/94/73/58/1025947358.db2.gz KLYNDXTUQXGVFO-RISCZKNCSA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cscc2C(F)(F)F)[C@H](C)C1 ZINC000356109399 1025947372 /nfs/dbraw/zinc/94/73/72/1025947372.db2.gz KLYNDXTUQXGVFO-RISCZKNCSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cscc2C(F)(F)F)[C@H](C)C1 ZINC000356109399 1025947380 /nfs/dbraw/zinc/94/73/80/1025947380.db2.gz KLYNDXTUQXGVFO-RISCZKNCSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cscc2C(F)(F)F)[C@H](C)C1 ZINC000356109399 1025947389 /nfs/dbraw/zinc/94/73/89/1025947389.db2.gz KLYNDXTUQXGVFO-RISCZKNCSA-N 2 2 320.424 3.929 20 0 DHADLP CSC1(C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCC1 ZINC000356404332 1026040352 /nfs/dbraw/zinc/04/03/52/1026040352.db2.gz BEMDOFMMUOZLQW-GOSISDBHSA-N 2 2 318.530 3.772 20 0 DHADLP CSC1(C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000356404332 1026040368 /nfs/dbraw/zinc/04/03/68/1026040368.db2.gz BEMDOFMMUOZLQW-GOSISDBHSA-N 2 2 318.530 3.772 20 0 DHADLP COC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000089668206 1026061484 /nfs/dbraw/zinc/06/14/84/1026061484.db2.gz QWZWSDOFVCAHRU-JXFKEZNVSA-N 2 2 321.424 3.911 20 0 DHADLP CSCc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001158271162 1026227297 /nfs/dbraw/zinc/22/72/97/1026227297.db2.gz HIXBVEYWJVFFLR-WMLDXEAASA-N 2 2 307.507 3.900 20 0 DHADLP CC(C)C(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000808733135 1026384210 /nfs/dbraw/zinc/38/42/10/1026384210.db2.gz XONGIUXFSNRDDY-IEBWSBKVSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)C(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000808733135 1026384221 /nfs/dbraw/zinc/38/42/21/1026384221.db2.gz XONGIUXFSNRDDY-IEBWSBKVSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)C(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000808733135 1026384233 /nfs/dbraw/zinc/38/42/33/1026384233.db2.gz XONGIUXFSNRDDY-IEBWSBKVSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)C(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000808733135 1026384245 /nfs/dbraw/zinc/38/42/45/1026384245.db2.gz XONGIUXFSNRDDY-IEBWSBKVSA-N 2 2 316.489 3.587 20 0 DHADLP Cc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)s1 ZINC000261632516 1026462124 /nfs/dbraw/zinc/46/21/24/1026462124.db2.gz CZJPCGBVKJVUAS-KRWDZBQOSA-N 2 2 315.486 3.596 20 0 DHADLP Cc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)s1 ZINC000261632516 1026462128 /nfs/dbraw/zinc/46/21/28/1026462128.db2.gz CZJPCGBVKJVUAS-KRWDZBQOSA-N 2 2 315.486 3.596 20 0 DHADLP Clc1cccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000280611874 1026681882 /nfs/dbraw/zinc/68/18/82/1026681882.db2.gz VYDOZSDEIJBHFJ-UHFFFAOYSA-N 2 2 303.837 3.806 20 0 DHADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319629892 1026701535 /nfs/dbraw/zinc/70/15/35/1026701535.db2.gz ARTQIDDVHTVFNR-QAPCUYQASA-N 2 2 315.461 3.966 20 0 DHADLP C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000420924848 1026879287 /nfs/dbraw/zinc/87/92/87/1026879287.db2.gz KRAIGENXFYXXCU-GOSISDBHSA-N 2 2 301.409 3.510 20 0 DHADLP C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000420924848 1026879297 /nfs/dbraw/zinc/87/92/97/1026879297.db2.gz KRAIGENXFYXXCU-GOSISDBHSA-N 2 2 301.409 3.510 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)C(C)(C)C ZINC000811480278 1027016534 /nfs/dbraw/zinc/01/65/34/1027016534.db2.gz SDEPQAKXTPJUHD-GFCCVEGCSA-N 2 2 318.292 3.844 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1Cl ZINC000421819886 1027055343 /nfs/dbraw/zinc/05/53/43/1027055343.db2.gz JMGAZLWDWHTOPM-QLFBSQMISA-N 2 2 309.885 3.754 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccncc1Cl ZINC000421819886 1027055349 /nfs/dbraw/zinc/05/53/49/1027055349.db2.gz JMGAZLWDWHTOPM-QLFBSQMISA-N 2 2 309.885 3.754 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C2 ZINC000362294010 1027132562 /nfs/dbraw/zinc/13/25/62/1027132562.db2.gz QKLKQSAHTGCNEJ-FUHWJXTLSA-N 2 2 315.848 3.901 20 0 DHADLP COc1ccc2cc(C[N@H+](C)CCCn3cc[nH+]c3)ccc2c1 ZINC000271887956 1027170873 /nfs/dbraw/zinc/17/08/73/1027170873.db2.gz DHEQVNMFDOCNAG-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP COc1ccc2cc(C[N@@H+](C)CCCn3cc[nH+]c3)ccc2c1 ZINC000271887956 1027170881 /nfs/dbraw/zinc/17/08/81/1027170881.db2.gz DHEQVNMFDOCNAG-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP C[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000271964416 1027188363 /nfs/dbraw/zinc/18/83/63/1027188363.db2.gz MBVCGAMQZQAXSY-MRXNPFEDSA-N 2 2 323.415 3.964 20 0 DHADLP Clc1ccc(C2([NH2+]CCCn3cc[nH+]c3)CC2)cc1Cl ZINC000271995888 1027196274 /nfs/dbraw/zinc/19/62/74/1027196274.db2.gz QTXVWWOWIHFEJA-UHFFFAOYSA-N 2 2 310.228 3.859 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1C[NH3+] ZINC000422560890 1027283590 /nfs/dbraw/zinc/28/35/90/1027283590.db2.gz IEXGNOZJNCGSIH-GMTAPVOTSA-N 2 2 306.397 3.572 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1C[NH3+] ZINC000422560890 1027283598 /nfs/dbraw/zinc/28/35/98/1027283598.db2.gz IEXGNOZJNCGSIH-GMTAPVOTSA-N 2 2 306.397 3.572 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)on1 ZINC000422780882 1027320620 /nfs/dbraw/zinc/32/06/20/1027320620.db2.gz HTSUHVZQJCNPOP-BRWVUGGUSA-N 2 2 305.466 3.589 20 0 DHADLP Fc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422791016 1027331171 /nfs/dbraw/zinc/33/11/71/1027331171.db2.gz YBJCIELIZZQDDZ-JCURWCKSSA-N 2 2 310.844 3.880 20 0 DHADLP COc1ccc(-c2csc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)c2)cc1 ZINC000422834047 1027335398 /nfs/dbraw/zinc/33/53/98/1027335398.db2.gz ZJLSRNCYYNYNOA-FZKQIMNGSA-N 2 2 316.470 3.511 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(COCc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422853717 1027341808 /nfs/dbraw/zinc/34/18/08/1027341808.db2.gz CDRGQSWIWMMUND-UTKZUKDTSA-N 2 2 324.468 3.634 20 0 DHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422863313 1027342207 /nfs/dbraw/zinc/34/22/07/1027342207.db2.gz OOFACWVSVQUTGT-LEWJYISDSA-N 3 2 323.484 3.761 20 0 DHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422863313 1027342223 /nfs/dbraw/zinc/34/22/23/1027342223.db2.gz OOFACWVSVQUTGT-LEWJYISDSA-N 3 2 323.484 3.761 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1c[nH+]ccc1N ZINC000422853553 1027344547 /nfs/dbraw/zinc/34/45/47/1027344547.db2.gz ZCMUAWHKYLPWND-MEBBXXQBSA-N 2 2 303.406 3.521 20 0 DHADLP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422886958 1027351293 /nfs/dbraw/zinc/35/12/93/1027351293.db2.gz AFJHFAIXNCKFFW-SOUVJXGZSA-N 2 2 307.507 3.667 20 0 DHADLP C[C@H]([NH2+][C@@H](c1cc2ccccc2o1)c1ccccc1)C1C[NH2+]C1 ZINC000422930881 1027366148 /nfs/dbraw/zinc/36/61/48/1027366148.db2.gz WJKVHEJMMRVYON-VBKZILBWSA-N 2 2 306.409 3.720 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)c2ccccc21 ZINC000422951306 1027378326 /nfs/dbraw/zinc/37/83/26/1027378326.db2.gz XYBDFXDQAHQQGM-KZNAEPCWSA-N 2 2 312.388 3.774 20 0 DHADLP COc1ccc([C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423017330 1027389186 /nfs/dbraw/zinc/38/91/86/1027389186.db2.gz WAHVLCGDJHEWKR-DLBZAZTESA-N 2 2 324.415 3.656 20 0 DHADLP COCC1CCC([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000295698497 1027393885 /nfs/dbraw/zinc/39/38/85/1027393885.db2.gz MEAIEVMDQQDDDH-HJOIGYKYSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@H]([NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423100215 1027417887 /nfs/dbraw/zinc/41/78/87/1027417887.db2.gz GQOKNASULIPGTB-DOPJRALCSA-N 2 2 322.880 3.538 20 0 DHADLP CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1Cl ZINC000423099945 1027418064 /nfs/dbraw/zinc/41/80/64/1027418064.db2.gz FWASCELVSGKPLW-IRXDYDNUSA-N 2 2 316.832 3.973 20 0 DHADLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423123081 1027420542 /nfs/dbraw/zinc/42/05/42/1027420542.db2.gz LYWNWGDLOUKSEK-IMJJTQAJSA-N 2 2 314.395 3.528 20 0 DHADLP [NH3+]CC[NH2+][C@H](c1sccc1Br)C1CCCCC1 ZINC000423178383 1027441892 /nfs/dbraw/zinc/44/18/92/1027441892.db2.gz FSUFNGBSPXHOLO-LBPRGKRZSA-N 2 2 317.296 3.680 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(F)cc1OC(F)F ZINC000423175126 1027443211 /nfs/dbraw/zinc/44/32/11/1027443211.db2.gz DCHSOBRYUSXXFR-LLVKDONJSA-N 2 2 316.367 3.739 20 0 DHADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1csc(Cl)c1 ZINC000423191630 1027449784 /nfs/dbraw/zinc/44/97/84/1027449784.db2.gz TWOWACIBSRKQNJ-GFCCVEGCSA-N 2 2 309.866 3.627 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(OCc2ccccc2)c1 ZINC000423193972 1027452232 /nfs/dbraw/zinc/45/22/32/1027452232.db2.gz RFDFSRYDVRZWAR-APWZRJJASA-N 2 2 310.441 3.668 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423240604 1027458664 /nfs/dbraw/zinc/45/86/64/1027458664.db2.gz KSPXCLIHZDCONF-MLGOLLRUSA-N 2 2 306.356 3.639 20 0 DHADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229781 1027466327 /nfs/dbraw/zinc/46/63/27/1027466327.db2.gz CADFAIZTDZWNHY-YPMHNXCESA-N 2 2 319.449 3.660 20 0 DHADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Br)cc1 ZINC000423232951 1027469045 /nfs/dbraw/zinc/46/90/45/1027469045.db2.gz CVWWDMQDJLUIMP-LRDDRELGSA-N 2 2 319.246 3.800 20 0 DHADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(OC(F)F)c1 ZINC000423243760 1027471796 /nfs/dbraw/zinc/47/17/96/1027471796.db2.gz NBUVDJIIOZGMGD-BLLLJJGKSA-N 2 2 306.356 3.639 20 0 DHADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1OCc1ccccc1 ZINC000423283023 1027483116 /nfs/dbraw/zinc/48/31/16/1027483116.db2.gz VQTZESGFAWIVOF-BEFAXECRSA-N 2 2 310.441 3.654 20 0 DHADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc2ccccc2c1OC(F)F ZINC000423332396 1027509701 /nfs/dbraw/zinc/50/97/01/1027509701.db2.gz VCZBXAZNMWDGDW-ZBEGNZNMSA-N 2 2 320.383 3.829 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@H]3C[NH2+]CC[C@H]3C)cs2)cs1 ZINC000423373906 1027517230 /nfs/dbraw/zinc/51/72/30/1027517230.db2.gz WRNCQUFSWASOBE-SUNKGSAMSA-N 2 2 321.515 3.829 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423370806 1027524754 /nfs/dbraw/zinc/52/47/54/1027524754.db2.gz UOHNLHMXZFINSM-DVOMOZLQSA-N 2 2 315.486 3.767 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000423390066 1027531406 /nfs/dbraw/zinc/53/14/06/1027531406.db2.gz VQXDBMQRGSDSRT-NFAWXSAZSA-N 2 2 301.459 3.601 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000423392078 1027533839 /nfs/dbraw/zinc/53/38/39/1027533839.db2.gz XJIVYNNIQNDBTL-NOZJJQNGSA-N 2 2 317.296 3.549 20 0 DHADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000423445247 1027543244 /nfs/dbraw/zinc/54/32/44/1027543244.db2.gz MMYWREJUMDGDTK-GUBZILKMSA-N 2 2 311.223 3.582 20 0 DHADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423438732 1027552292 /nfs/dbraw/zinc/55/22/92/1027552292.db2.gz HFCZULXDRJLJJR-WOPDTQHZSA-N 2 2 308.372 3.828 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000576059252 1027554244 /nfs/dbraw/zinc/55/42/44/1027554244.db2.gz VLVFWFCJWCFNRW-MSOLQXFVSA-N 2 2 311.473 3.951 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000576059252 1027554251 /nfs/dbraw/zinc/55/42/51/1027554251.db2.gz VLVFWFCJWCFNRW-MSOLQXFVSA-N 2 2 311.473 3.951 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000423499247 1027564741 /nfs/dbraw/zinc/56/47/41/1027564741.db2.gz JENDLPOFDPGRSZ-ZBEGNZNMSA-N 2 2 303.475 3.673 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423505246 1027567350 /nfs/dbraw/zinc/56/73/50/1027567350.db2.gz OEMAYADGGNQQBE-JXFKEZNVSA-N 2 2 311.473 3.645 20 0 DHADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(F)cc1OC(F)F ZINC000423494219 1027574617 /nfs/dbraw/zinc/57/46/17/1027574617.db2.gz ACUASMDBKJCKJR-YGRLFVJLSA-N 2 2 316.367 3.595 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000423497444 1027574644 /nfs/dbraw/zinc/57/46/44/1027574644.db2.gz GZKQYPLFUIFONH-HNAYVOBHSA-N 2 2 311.473 3.666 20 0 DHADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2CC)s1 ZINC000423515867 1027576905 /nfs/dbraw/zinc/57/69/05/1027576905.db2.gz XNIDOGCQHMQIKD-MLGOLLRUSA-N 2 2 317.502 3.927 20 0 DHADLP Clc1ccccc1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576197438 1027583182 /nfs/dbraw/zinc/58/31/82/1027583182.db2.gz DTIPMTCFHNQGDJ-INWMFGNUSA-N 2 2 315.848 3.846 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000319728287 1027589957 /nfs/dbraw/zinc/58/99/57/1027589957.db2.gz BRCIZPMETWDNOV-CXAGYDPISA-N 2 2 319.424 3.796 20 0 DHADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000576990357 1027689432 /nfs/dbraw/zinc/68/94/32/1027689432.db2.gz OSXBXXNCJJLGBU-HPBDAGMYSA-N 2 2 309.457 3.829 20 0 DHADLP C([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751340 1027874867 /nfs/dbraw/zinc/87/48/67/1027874867.db2.gz GQZALKCJGMGROE-JRBPQWBISA-N 2 2 320.521 3.578 20 0 DHADLP C([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527751340 1027874880 /nfs/dbraw/zinc/87/48/80/1027874880.db2.gz GQZALKCJGMGROE-JRBPQWBISA-N 2 2 320.521 3.578 20 0 DHADLP c1ccc(-c2cccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)c2)nc1 ZINC000527807109 1027894108 /nfs/dbraw/zinc/89/41/08/1027894108.db2.gz MNDDFVHNGKCONF-HXUWFJFHSA-N 2 2 321.468 3.855 20 0 DHADLP c1ccc(-c2cccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)c2)nc1 ZINC000527807109 1027894115 /nfs/dbraw/zinc/89/41/15/1027894115.db2.gz MNDDFVHNGKCONF-HXUWFJFHSA-N 2 2 321.468 3.855 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)C2)c1 ZINC000527806050 1027905526 /nfs/dbraw/zinc/90/55/26/1027905526.db2.gz COBFBIOYFQFGFS-YVWKXTFCSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)C2)c1 ZINC000527806050 1027905543 /nfs/dbraw/zinc/90/55/43/1027905543.db2.gz COBFBIOYFQFGFS-YVWKXTFCSA-N 2 2 313.489 3.714 20 0 DHADLP Cc1cc(C)c(CS(=O)Cc2c(C)cc(C)[nH+]c2C)c(C)[nH+]1 ZINC000600937271 1027911958 /nfs/dbraw/zinc/91/19/58/1027911958.db2.gz WNYLAOIBAVWJCB-UHFFFAOYSA-N 2 2 316.470 3.776 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1csc(Cl)c1Cl)C2 ZINC000365328978 1027924645 /nfs/dbraw/zinc/92/46/45/1027924645.db2.gz GVUZQLZACHJGRF-JTQLQIEISA-N 2 2 316.257 3.664 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000528012073 1028043613 /nfs/dbraw/zinc/04/36/13/1028043613.db2.gz NQDNCMKHOIDHRQ-CJNGLKHVSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(OC(F)F)cc1 ZINC000528012073 1028043632 /nfs/dbraw/zinc/04/36/32/1028043632.db2.gz NQDNCMKHOIDHRQ-CJNGLKHVSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(F)c(F)c(F)c1 ZINC000366428389 1028078617 /nfs/dbraw/zinc/07/86/17/1028078617.db2.gz DVQALUPAXGTTKN-LMWSTFAQSA-N 2 2 312.379 3.771 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000578216806 1028092351 /nfs/dbraw/zinc/09/23/51/1028092351.db2.gz IWWQJCUZXDOANM-LCLWPZTBSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000578216806 1028092367 /nfs/dbraw/zinc/09/23/67/1028092367.db2.gz IWWQJCUZXDOANM-LCLWPZTBSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)SCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000366979926 1028118866 /nfs/dbraw/zinc/11/88/66/1028118866.db2.gz DVFJHATZZMIHTJ-HNNXBMFYSA-N 2 2 307.507 3.540 20 0 DHADLP CC(C)SCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000366979926 1028118875 /nfs/dbraw/zinc/11/88/75/1028118875.db2.gz DVFJHATZZMIHTJ-HNNXBMFYSA-N 2 2 307.507 3.540 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(SC(F)F)cc1 ZINC000779063782 1028123442 /nfs/dbraw/zinc/12/34/42/1028123442.db2.gz DYQWRDAMNJPPRI-AAEUAGOBSA-N 2 2 323.412 3.863 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000578522915 1028172447 /nfs/dbraw/zinc/17/24/47/1028172447.db2.gz ZUWOGNZMOQHJSK-UHFFFAOYSA-N 2 2 310.441 3.548 20 0 DHADLP Cc1ccc(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000367422388 1028185503 /nfs/dbraw/zinc/18/55/03/1028185503.db2.gz KJRWAJXTCDKEAE-UHFFFAOYSA-N 2 2 301.459 3.552 20 0 DHADLP Cc1ccc(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000367422388 1028185509 /nfs/dbraw/zinc/18/55/09/1028185509.db2.gz KJRWAJXTCDKEAE-UHFFFAOYSA-N 2 2 301.459 3.552 20 0 DHADLP Cn1cc(C2=CC[N@H+](CCCn3cc[nH+]c3)CC2)c2ccccc21 ZINC000367569219 1028205117 /nfs/dbraw/zinc/20/51/17/1028205117.db2.gz GPXFXRDWDMLQFZ-UHFFFAOYSA-N 2 2 320.440 3.554 20 0 DHADLP Cn1cc(C2=CC[N@@H+](CCCn3cc[nH+]c3)CC2)c2ccccc21 ZINC000367569219 1028205135 /nfs/dbraw/zinc/20/51/35/1028205135.db2.gz GPXFXRDWDMLQFZ-UHFFFAOYSA-N 2 2 320.440 3.554 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc(-c3ccccc3)cc1)C2 ZINC000368081219 1028294496 /nfs/dbraw/zinc/29/44/96/1028294496.db2.gz KUVYSWMRPWONPE-GOSISDBHSA-N 2 2 303.409 3.724 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102129 1028298958 /nfs/dbraw/zinc/29/89/58/1028298958.db2.gz MMVOJDXQCSZEHJ-UGSOOPFHSA-N 2 2 320.440 3.724 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101356 1028300682 /nfs/dbraw/zinc/30/06/82/1028300682.db2.gz SVGUJJZEDKDQSK-CMPLNLGQSA-N 2 2 318.490 3.680 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)C2 ZINC000368103552 1028302332 /nfs/dbraw/zinc/30/23/32/1028302332.db2.gz WUNYYIKPQRWBKK-AZUAARDMSA-N 2 2 317.436 3.841 20 0 DHADLP CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000368102906 1028304074 /nfs/dbraw/zinc/30/40/74/1028304074.db2.gz QQLSMIVDHJYSSY-GNZRSQJKSA-N 2 2 309.457 3.757 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1Cl ZINC000368103800 1028305173 /nfs/dbraw/zinc/30/51/73/1028305173.db2.gz YTQZFTHEKDYLQU-UWVGGRQHSA-N 2 2 310.228 3.925 20 0 DHADLP C(C[NH+]1CCCCCC1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449070079 1028331686 /nfs/dbraw/zinc/33/16/86/1028331686.db2.gz JCAPFMJVEUJVLO-UHFFFAOYSA-N 2 2 308.510 3.722 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449079219 1028341335 /nfs/dbraw/zinc/34/13/35/1028341335.db2.gz XWXJGDRQVMFEAQ-MRXNPFEDSA-N 3 2 320.525 3.540 20 0 DHADLP C[C@H](C[NH2+]Cc1cc(Cl)sc1Cl)Cn1cc[nH+]c1 ZINC000449102689 1028356348 /nfs/dbraw/zinc/35/63/48/1028356348.db2.gz KXZMPHFZFAEGFB-SECBINFHSA-N 2 2 304.246 3.677 20 0 DHADLP FC(F)(F)C1CCC(C[N@@H+]2CCC[NH+]3CCC[C@@H]3C2)CC1 ZINC000368632539 1028384813 /nfs/dbraw/zinc/38/48/13/1028384813.db2.gz NOJGWDJJNFXDIL-YMAMQOFZSA-N 2 2 304.400 3.525 20 0 DHADLP FC(F)(F)C1CCC(C[N@H+]2CCC[NH+]3CCC[C@@H]3C2)CC1 ZINC000368632539 1028384830 /nfs/dbraw/zinc/38/48/30/1028384830.db2.gz NOJGWDJJNFXDIL-YMAMQOFZSA-N 2 2 304.400 3.525 20 0 DHADLP FC(F)(F)C1CCC(C[NH+]2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368632539 1028384844 /nfs/dbraw/zinc/38/48/44/1028384844.db2.gz NOJGWDJJNFXDIL-YMAMQOFZSA-N 2 2 304.400 3.525 20 0 DHADLP FC(F)(F)C1CCC(C[NH+]2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000368632539 1028384849 /nfs/dbraw/zinc/38/48/49/1028384849.db2.gz NOJGWDJJNFXDIL-YMAMQOFZSA-N 2 2 304.400 3.525 20 0 DHADLP Cc1ccc2sc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000528418276 1028405135 /nfs/dbraw/zinc/40/51/35/1028405135.db2.gz QDLMXVTXLZWSQA-ZDUSSCGKSA-N 2 2 312.442 3.707 20 0 DHADLP Cc1ccc2sc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000528418276 1028405146 /nfs/dbraw/zinc/40/51/46/1028405146.db2.gz QDLMXVTXLZWSQA-ZDUSSCGKSA-N 2 2 312.442 3.707 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)CC[N@@H+]1C ZINC000449173114 1028415528 /nfs/dbraw/zinc/41/55/28/1028415528.db2.gz NEXJKTBAADYSOC-QWHCGFSZSA-N 2 2 319.449 3.522 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)CC[N@H+]1C ZINC000449173114 1028415530 /nfs/dbraw/zinc/41/55/30/1028415530.db2.gz NEXJKTBAADYSOC-QWHCGFSZSA-N 2 2 319.449 3.522 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000449175163 1028417434 /nfs/dbraw/zinc/41/74/34/1028417434.db2.gz QPARTIYLYRJQLO-FUHWJXTLSA-N 3 2 323.569 3.738 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000449175163 1028417441 /nfs/dbraw/zinc/41/74/41/1028417441.db2.gz QPARTIYLYRJQLO-FUHWJXTLSA-N 3 2 323.569 3.738 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCC3CCCC3)[C@@H](C)C2)s1 ZINC000368972670 1028430301 /nfs/dbraw/zinc/43/03/01/1028430301.db2.gz HFURKXPSNCTCFE-KBXCAEBGSA-N 2 2 321.534 3.832 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCC3CCCC3)[C@@H](C)C2)s1 ZINC000368972670 1028430307 /nfs/dbraw/zinc/43/03/07/1028430307.db2.gz HFURKXPSNCTCFE-KBXCAEBGSA-N 2 2 321.534 3.832 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000369082275 1028442189 /nfs/dbraw/zinc/44/21/89/1028442189.db2.gz FFOSBTZFKHFOTJ-ZDUSSCGKSA-N 2 2 318.490 3.554 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000369082275 1028442192 /nfs/dbraw/zinc/44/21/92/1028442192.db2.gz FFOSBTZFKHFOTJ-ZDUSSCGKSA-N 2 2 318.490 3.554 20 0 DHADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000579645825 1028458402 /nfs/dbraw/zinc/45/84/02/1028458402.db2.gz CZWVHQUVOUHHDA-UQHVZDHRSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000579645825 1028458406 /nfs/dbraw/zinc/45/84/06/1028458406.db2.gz CZWVHQUVOUHHDA-UQHVZDHRSA-N 2 2 308.416 3.532 20 0 DHADLP C/C(Cl)=C/C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000528495992 1028474786 /nfs/dbraw/zinc/47/47/86/1028474786.db2.gz FWIRYMDTOXQDIC-IIEJUSTOSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C/C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000528495992 1028474793 /nfs/dbraw/zinc/47/47/93/1028474793.db2.gz FWIRYMDTOXQDIC-IIEJUSTOSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C/C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000528495992 1028474799 /nfs/dbraw/zinc/47/47/99/1028474799.db2.gz FWIRYMDTOXQDIC-IIEJUSTOSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C/C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000528495992 1028474804 /nfs/dbraw/zinc/47/48/04/1028474804.db2.gz FWIRYMDTOXQDIC-IIEJUSTOSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C\C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000528496002 1028475313 /nfs/dbraw/zinc/47/53/13/1028475313.db2.gz FWIRYMDTOXQDIC-NNSJBKGDSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C\C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000528496002 1028475322 /nfs/dbraw/zinc/47/53/22/1028475322.db2.gz FWIRYMDTOXQDIC-NNSJBKGDSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C\C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000528496002 1028475330 /nfs/dbraw/zinc/47/53/30/1028475330.db2.gz FWIRYMDTOXQDIC-NNSJBKGDSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C\C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000528496002 1028475340 /nfs/dbraw/zinc/47/53/40/1028475340.db2.gz FWIRYMDTOXQDIC-NNSJBKGDSA-N 2 2 312.910 3.953 20 0 DHADLP CC1(C)CC(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000528488568 1028490159 /nfs/dbraw/zinc/49/01/59/1028490159.db2.gz CNWZPDYJBJAECN-MRXNPFEDSA-N 2 2 301.478 3.835 20 0 DHADLP CC1(C)CC(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000528488568 1028490175 /nfs/dbraw/zinc/49/01/75/1028490175.db2.gz CNWZPDYJBJAECN-MRXNPFEDSA-N 2 2 301.478 3.835 20 0 DHADLP Cc1ncsc1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000369547652 1028500801 /nfs/dbraw/zinc/50/08/01/1028500801.db2.gz GOPCYTSEHNSBMB-OAHLLOKOSA-N 2 2 318.490 3.651 20 0 DHADLP Cc1ncsc1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000369547652 1028500815 /nfs/dbraw/zinc/50/08/15/1028500815.db2.gz GOPCYTSEHNSBMB-OAHLLOKOSA-N 2 2 318.490 3.651 20 0 DHADLP Clc1ccc([C@@H]2CC[C@H]([NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)cc1 ZINC000449331728 1028543143 /nfs/dbraw/zinc/54/31/43/1028543143.db2.gz AOVZBUFDYDXTLH-VNQPRFMTSA-N 2 2 315.848 3.846 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000370115771 1028570279 /nfs/dbraw/zinc/57/02/79/1028570279.db2.gz YRXYNIKBYGQVLD-PKOBYXMFSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000370115771 1028570290 /nfs/dbraw/zinc/57/02/90/1028570290.db2.gz YRXYNIKBYGQVLD-PKOBYXMFSA-N 2 2 315.505 3.852 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000040623015 1028583089 /nfs/dbraw/zinc/58/30/89/1028583089.db2.gz YJOOLMXHKDDWSI-GFCCVEGCSA-N 2 2 318.433 3.555 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000040623015 1028583103 /nfs/dbraw/zinc/58/31/03/1028583103.db2.gz YJOOLMXHKDDWSI-GFCCVEGCSA-N 2 2 318.433 3.555 20 0 DHADLP CCc1noc(C)c1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000370464528 1028607066 /nfs/dbraw/zinc/60/70/66/1028607066.db2.gz OOGWMKUNHUUCFG-OAHLLOKOSA-N 2 2 316.449 3.530 20 0 DHADLP CCc1noc(C)c1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000370464528 1028607074 /nfs/dbraw/zinc/60/70/74/1028607074.db2.gz OOGWMKUNHUUCFG-OAHLLOKOSA-N 2 2 316.449 3.530 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000370629088 1028625976 /nfs/dbraw/zinc/62/59/76/1028625976.db2.gz NNTOZGGLFIUDQT-WBVHZDCISA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000370629088 1028625990 /nfs/dbraw/zinc/62/59/90/1028625990.db2.gz NNTOZGGLFIUDQT-WBVHZDCISA-N 2 2 315.486 3.706 20 0 DHADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1F ZINC000371311413 1028690130 /nfs/dbraw/zinc/69/01/30/1028690130.db2.gz WFYCIRULLQLVMX-HIFRSBDPSA-N 2 2 317.408 3.567 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCC1CCOCC1 ZINC000372128253 1028812106 /nfs/dbraw/zinc/81/21/06/1028812106.db2.gz KJNWMSQTDDWGMY-SFHVURJKSA-N 2 2 319.493 3.678 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCC1CCOCC1 ZINC000372128253 1028812120 /nfs/dbraw/zinc/81/21/20/1028812120.db2.gz KJNWMSQTDDWGMY-SFHVURJKSA-N 2 2 319.493 3.678 20 0 DHADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000372175447 1028819473 /nfs/dbraw/zinc/81/94/73/1028819473.db2.gz IWUSMEDSDMUXFZ-KUHUBIRLSA-N 2 2 302.437 3.762 20 0 DHADLP C[C@@H]1CCC[N@H+]1C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000372175447 1028819479 /nfs/dbraw/zinc/81/94/79/1028819479.db2.gz IWUSMEDSDMUXFZ-KUHUBIRLSA-N 2 2 302.437 3.762 20 0 DHADLP CCCc1ncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000449614448 1028844927 /nfs/dbraw/zinc/84/49/27/1028844927.db2.gz VRJBBIPCICDTAE-CQSZACIVSA-N 2 2 324.428 3.972 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281083 1028989433 /nfs/dbraw/zinc/98/94/33/1028989433.db2.gz ZPJZPQHBZQIPNT-STQMWFEESA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281083 1028989451 /nfs/dbraw/zinc/98/94/51/1028989451.db2.gz ZPJZPQHBZQIPNT-STQMWFEESA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281083 1028989471 /nfs/dbraw/zinc/98/94/71/1028989471.db2.gz ZPJZPQHBZQIPNT-STQMWFEESA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281083 1028989485 /nfs/dbraw/zinc/98/94/85/1028989485.db2.gz ZPJZPQHBZQIPNT-STQMWFEESA-N 2 2 318.408 3.683 20 0 DHADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000373384621 1029028983 /nfs/dbraw/zinc/02/89/83/1029028983.db2.gz NUYXDNJNUYHKPQ-FFGOWVMKSA-N 2 2 315.505 3.879 20 0 DHADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000373384621 1029028994 /nfs/dbraw/zinc/02/89/94/1029028994.db2.gz NUYXDNJNUYHKPQ-FFGOWVMKSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C1CCCCC1 ZINC000373383178 1029029177 /nfs/dbraw/zinc/02/91/77/1029029177.db2.gz JNEXXKIBAMQYJW-MNEFBYGVSA-N 2 2 301.478 3.633 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C1CCCCC1 ZINC000373383178 1029029183 /nfs/dbraw/zinc/02/91/83/1029029183.db2.gz JNEXXKIBAMQYJW-MNEFBYGVSA-N 2 2 301.478 3.633 20 0 DHADLP C[C@H](CC1CC1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373486285 1029060556 /nfs/dbraw/zinc/06/05/56/1029060556.db2.gz RGVZZYOKEWZWDQ-VCANKDNSSA-N 2 2 304.400 3.570 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000568793082 1029127313 /nfs/dbraw/zinc/12/73/13/1029127313.db2.gz XUHJGMWUSGTWRQ-BBRMVZONSA-N 2 2 315.848 3.809 20 0 DHADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000568793082 1029127316 /nfs/dbraw/zinc/12/73/16/1029127316.db2.gz XUHJGMWUSGTWRQ-BBRMVZONSA-N 2 2 315.848 3.809 20 0 DHADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000569035209 1029165511 /nfs/dbraw/zinc/16/55/11/1029165511.db2.gz QGVHVTMQGAFWMB-MSOLQXFVSA-N 2 2 311.473 3.888 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccsc2C(F)(F)F)[C@H](C)C1 ZINC000529528601 1029359532 /nfs/dbraw/zinc/35/95/32/1029359532.db2.gz KNXKFYPPVUPPIP-YPMHNXCESA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccsc2C(F)(F)F)[C@H](C)C1 ZINC000529528601 1029359545 /nfs/dbraw/zinc/35/95/45/1029359545.db2.gz KNXKFYPPVUPPIP-YPMHNXCESA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccsc2C(F)(F)F)[C@H](C)C1 ZINC000529528601 1029359560 /nfs/dbraw/zinc/35/95/60/1029359560.db2.gz KNXKFYPPVUPPIP-YPMHNXCESA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)[C@H](C)C1 ZINC000529528601 1029359573 /nfs/dbraw/zinc/35/95/73/1029359573.db2.gz KNXKFYPPVUPPIP-YPMHNXCESA-N 2 2 320.424 3.929 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000629540898 1029360818 /nfs/dbraw/zinc/36/08/18/1029360818.db2.gz YHJHEYSLIPQBIG-HLLBOEOZSA-N 2 2 320.477 3.665 20 0 DHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2OC2CC2)CC1 ZINC000450336984 1029400066 /nfs/dbraw/zinc/40/00/66/1029400066.db2.gz CAMKNVOPQJTQTB-UHFFFAOYSA-N 2 2 302.462 3.532 20 0 DHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2OC2CC2)CC1 ZINC000450336984 1029400075 /nfs/dbraw/zinc/40/00/75/1029400075.db2.gz CAMKNVOPQJTQTB-UHFFFAOYSA-N 2 2 302.462 3.532 20 0 DHADLP C[C@H]1C[C@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)CC[N@@H+]1C ZINC000450351882 1029407177 /nfs/dbraw/zinc/40/71/77/1029407177.db2.gz AJTOCPKSKRPTNW-WDEREUQCSA-N 2 2 307.800 3.922 20 0 DHADLP C[C@H]1C[C@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)CC[N@H+]1C ZINC000450351882 1029407185 /nfs/dbraw/zinc/40/71/85/1029407185.db2.gz AJTOCPKSKRPTNW-WDEREUQCSA-N 2 2 307.800 3.922 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569284 1029427400 /nfs/dbraw/zinc/42/74/00/1029427400.db2.gz NPJIKTOBBQTTQU-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569284 1029427411 /nfs/dbraw/zinc/42/74/11/1029427411.db2.gz NPJIKTOBBQTTQU-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569284 1029427420 /nfs/dbraw/zinc/42/74/20/1029427420.db2.gz NPJIKTOBBQTTQU-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569284 1029427425 /nfs/dbraw/zinc/42/74/25/1029427425.db2.gz NPJIKTOBBQTTQU-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP CCc1cc(CCC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000450716724 1029625308 /nfs/dbraw/zinc/62/53/08/1029625308.db2.gz YOSAGDDGFAJDTO-HNNXBMFYSA-N 2 2 324.428 3.706 20 0 DHADLP Clc1cccc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000450788040 1029650317 /nfs/dbraw/zinc/65/03/17/1029650317.db2.gz SMHDQCUNKXJFKL-MRXNPFEDSA-N 2 2 315.848 3.862 20 0 DHADLP Clc1cccc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000450788040 1029650335 /nfs/dbraw/zinc/65/03/35/1029650335.db2.gz SMHDQCUNKXJFKL-MRXNPFEDSA-N 2 2 315.848 3.862 20 0 DHADLP Clc1cccc2c1C[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001170944485 1029695008 /nfs/dbraw/zinc/69/50/08/1029695008.db2.gz QAERJFVALPKUCZ-INIZCTEOSA-N 2 2 315.848 3.731 20 0 DHADLP C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820805520 1029768030 /nfs/dbraw/zinc/76/80/30/1029768030.db2.gz LIOVGFMBGNRDCE-SFHVURJKSA-N 2 2 318.848 3.901 20 0 DHADLP CSC(C)(C)CC[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000820874864 1029783791 /nfs/dbraw/zinc/78/37/91/1029783791.db2.gz NEDODLLEAORXLN-HNNXBMFYSA-N 2 2 321.534 3.728 20 0 DHADLP C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)C[NH2+]1 ZINC001246203734 1030113853 /nfs/dbraw/zinc/11/38/53/1030113853.db2.gz YGOCKVGTWDGHPH-SWLSCSKDSA-N 2 2 323.278 3.558 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924578583 1030127262 /nfs/dbraw/zinc/12/72/62/1030127262.db2.gz PKOYFIVEUCGHRZ-NRFANRHFSA-N 2 2 323.484 3.943 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000245809419 1030139897 /nfs/dbraw/zinc/13/98/97/1030139897.db2.gz ZCEQUOMYKKKCHF-NUJGCVRESA-N 2 2 302.462 3.853 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000245809419 1030139905 /nfs/dbraw/zinc/13/99/05/1030139905.db2.gz ZCEQUOMYKKKCHF-NUJGCVRESA-N 2 2 302.462 3.853 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656171 1030141191 /nfs/dbraw/zinc/14/11/91/1030141191.db2.gz ZIQUSZDPLNRSMY-YOEHRIQHSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656171 1030141194 /nfs/dbraw/zinc/14/11/94/1030141194.db2.gz ZIQUSZDPLNRSMY-YOEHRIQHSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656171 1030141201 /nfs/dbraw/zinc/14/12/01/1030141201.db2.gz ZIQUSZDPLNRSMY-YOEHRIQHSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656171 1030141204 /nfs/dbraw/zinc/14/12/04/1030141204.db2.gz ZIQUSZDPLNRSMY-YOEHRIQHSA-N 2 2 315.486 3.582 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000924651628 1030151502 /nfs/dbraw/zinc/15/15/02/1030151502.db2.gz ZKEOPQVGLCXAFG-UTKZUKDTSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000924651628 1030151513 /nfs/dbraw/zinc/15/15/13/1030151513.db2.gz ZKEOPQVGLCXAFG-UTKZUKDTSA-N 2 2 321.468 3.553 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ncco1 ZINC000924668479 1030154961 /nfs/dbraw/zinc/15/49/61/1030154961.db2.gz QKZGDWIFOMSUNF-JKSUJKDBSA-N 2 2 313.445 3.757 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ncco1 ZINC000924668479 1030154966 /nfs/dbraw/zinc/15/49/66/1030154966.db2.gz QKZGDWIFOMSUNF-JKSUJKDBSA-N 2 2 313.445 3.757 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000557717083 1030260442 /nfs/dbraw/zinc/26/04/42/1030260442.db2.gz DBTSPHUCWKCRAX-GFCCVEGCSA-N 2 2 318.358 3.664 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000557717083 1030260459 /nfs/dbraw/zinc/26/04/59/1030260459.db2.gz DBTSPHUCWKCRAX-GFCCVEGCSA-N 2 2 318.358 3.664 20 0 DHADLP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246162574 1030345615 /nfs/dbraw/zinc/34/56/15/1030345615.db2.gz ITRNTPBONYCXMB-KURKYZTESA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246162574 1030345633 /nfs/dbraw/zinc/34/56/33/1030345633.db2.gz ITRNTPBONYCXMB-KURKYZTESA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1ccccn1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246162574 1030345652 /nfs/dbraw/zinc/34/56/52/1030345652.db2.gz ITRNTPBONYCXMB-KURKYZTESA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1ccccn1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246162574 1030345663 /nfs/dbraw/zinc/34/56/63/1030345663.db2.gz ITRNTPBONYCXMB-KURKYZTESA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(F)cc(F)c1 ZINC000823683950 1030365611 /nfs/dbraw/zinc/36/56/11/1030365611.db2.gz NAEOZFKXMQEROG-CXAGYDPISA-N 2 2 321.415 3.969 20 0 DHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171030144 1030389317 /nfs/dbraw/zinc/38/93/17/1030389317.db2.gz LKXOKSQTDBQTNE-CVEARBPZSA-N 2 2 306.881 3.517 20 0 DHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171030144 1030389331 /nfs/dbraw/zinc/38/93/31/1030389331.db2.gz LKXOKSQTDBQTNE-CVEARBPZSA-N 2 2 306.881 3.517 20 0 DHADLP Clc1ccc(OCCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000533526653 1030405434 /nfs/dbraw/zinc/40/54/34/1030405434.db2.gz TYKRWEWQWFJNKO-AWEZNQCLSA-N 2 2 319.836 3.712 20 0 DHADLP Clc1ccc(OCCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000533526653 1030405447 /nfs/dbraw/zinc/40/54/47/1030405447.db2.gz TYKRWEWQWFJNKO-AWEZNQCLSA-N 2 2 319.836 3.712 20 0 DHADLP Clc1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1Cl ZINC000666763619 1030416455 /nfs/dbraw/zinc/41/64/55/1030416455.db2.gz HXEFNCOWXAEHIW-SECBINFHSA-N 2 2 307.652 3.736 20 0 DHADLP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925655349 1030443051 /nfs/dbraw/zinc/44/30/51/1030443051.db2.gz JXFDMAYLPMDNNV-HWOWSKLDSA-N 2 2 308.828 3.541 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccccn2)c(C)c1 ZINC000358346081 1030448059 /nfs/dbraw/zinc/44/80/59/1030448059.db2.gz QGBCMAJEWYJHOX-PXNSSMCTSA-N 2 2 320.440 3.987 20 0 DHADLP COc1cccc([C@H]2C[C@H]([NH2+][C@H](c3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000925691993 1030456029 /nfs/dbraw/zinc/45/60/29/1030456029.db2.gz YMBNUGLXMIMRID-ZESCBINXSA-N 2 2 310.441 3.619 20 0 DHADLP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](c3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000925691980 1030456087 /nfs/dbraw/zinc/45/60/87/1030456087.db2.gz YMBNUGLXMIMRID-PRIDNEQBSA-N 2 2 310.441 3.619 20 0 DHADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1nsc2ccccc12)c1ccccc1 ZINC000925716379 1030463508 /nfs/dbraw/zinc/46/35/08/1030463508.db2.gz PFFPMNYYKXWKIH-SCLBCKFNSA-N 2 2 311.454 3.517 20 0 DHADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000925791897 1030499128 /nfs/dbraw/zinc/49/91/28/1030499128.db2.gz CWMXQFNAUQVYAO-SJORKVTESA-N 2 2 322.880 3.539 20 0 DHADLP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925795795 1030499959 /nfs/dbraw/zinc/49/99/59/1030499959.db2.gz QFUIWXXFBIWWRE-LPHOPBHVSA-N 2 2 316.489 3.619 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2ccccc2c1 ZINC000925795772 1030500546 /nfs/dbraw/zinc/50/05/46/1030500546.db2.gz PVUWGIFHXFQJMO-JXFKEZNVSA-N 2 2 324.468 3.649 20 0 DHADLP c1ccc([C@@H]2C[C@H]([NH2+][C@H](c3ccccn3)C3CC3)CC[NH2+]2)cc1 ZINC000925820467 1030510416 /nfs/dbraw/zinc/51/04/16/1030510416.db2.gz FSDUGLYHONNDDW-HOJAQTOUSA-N 2 2 307.441 3.616 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3=CCCCC3)CC2)cc1 ZINC000824537240 1030579536 /nfs/dbraw/zinc/57/95/36/1030579536.db2.gz AIVWSUSVGZXGID-UHFFFAOYSA-N 2 2 313.489 3.811 20 0 DHADLP CCSCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072900587 1030584061 /nfs/dbraw/zinc/58/40/61/1030584061.db2.gz TWQJNICFEGRFLU-HNNXBMFYSA-N 2 2 303.475 3.836 20 0 DHADLP CCSCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072900587 1030584075 /nfs/dbraw/zinc/58/40/75/1030584075.db2.gz TWQJNICFEGRFLU-HNNXBMFYSA-N 2 2 303.475 3.836 20 0 DHADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926120077 1030625005 /nfs/dbraw/zinc/62/50/05/1030625005.db2.gz UDHXQXIYLKIMJP-UNEWFSDZSA-N 2 2 317.477 3.603 20 0 DHADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926120077 1030625010 /nfs/dbraw/zinc/62/50/10/1030625010.db2.gz UDHXQXIYLKIMJP-UNEWFSDZSA-N 2 2 317.477 3.603 20 0 DHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246541396 1030635910 /nfs/dbraw/zinc/63/59/10/1030635910.db2.gz VYNGMJGPVHGHOC-CABCVRRESA-N 2 2 321.534 3.793 20 0 DHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246541396 1030635919 /nfs/dbraw/zinc/63/59/19/1030635919.db2.gz VYNGMJGPVHGHOC-CABCVRRESA-N 2 2 321.534 3.793 20 0 DHADLP CN(c1ccc([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1)C1CC[NH+](C)CC1 ZINC000824969051 1030689067 /nfs/dbraw/zinc/68/90/67/1030689067.db2.gz HRIIKTGIMPBMIG-XPGWFJOJSA-N 2 2 313.489 3.818 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC000248065159 1030715657 /nfs/dbraw/zinc/71/56/57/1030715657.db2.gz ZHGKJSWBSBDLAC-FXAWDEMLSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC000248065159 1030715672 /nfs/dbraw/zinc/71/56/72/1030715672.db2.gz ZHGKJSWBSBDLAC-FXAWDEMLSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247972049 1030716417 /nfs/dbraw/zinc/71/64/17/1030716417.db2.gz JSNYTHZAGFODIV-LQWHRVPQSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247972049 1030716434 /nfs/dbraw/zinc/71/64/34/1030716434.db2.gz JSNYTHZAGFODIV-LQWHRVPQSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1cc(C)cc([C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c2cccnc2)c1 ZINC000926475657 1030753868 /nfs/dbraw/zinc/75/38/68/1030753868.db2.gz VGXSJZYYZHRXLT-PXNSSMCTSA-N 2 2 311.473 3.575 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)ccc1C(F)(F)F ZINC001143683995 1030891743 /nfs/dbraw/zinc/89/17/43/1030891743.db2.gz WKJKIKQWVMOPAC-UHFFFAOYSA-N 2 2 311.351 3.732 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)ccc1C(F)(F)F ZINC001143683995 1030891767 /nfs/dbraw/zinc/89/17/67/1030891767.db2.gz WKJKIKQWVMOPAC-UHFFFAOYSA-N 2 2 311.351 3.732 20 0 DHADLP FC1(F)[C@@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@@H]1c1ccccc1 ZINC000926977686 1031023824 /nfs/dbraw/zinc/02/38/24/1031023824.db2.gz PCMDJOHPJVOAEE-XSLAGTTESA-N 2 2 320.427 3.642 20 0 DHADLP FC1(F)[C@@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)[C@@H]1c1ccccc1 ZINC000926977686 1031023842 /nfs/dbraw/zinc/02/38/42/1031023842.db2.gz PCMDJOHPJVOAEE-XSLAGTTESA-N 2 2 320.427 3.642 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccccc1OC(F)F ZINC000359590625 1031048735 /nfs/dbraw/zinc/04/87/35/1031048735.db2.gz IUVMTDJJBDQOFB-DZGCQCFKSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccccc1OC(F)F ZINC000359590625 1031048745 /nfs/dbraw/zinc/04/87/45/1031048745.db2.gz IUVMTDJJBDQOFB-DZGCQCFKSA-N 2 2 312.404 3.813 20 0 DHADLP CC(C)([NH3+])C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000261740749 1031057408 /nfs/dbraw/zinc/05/74/08/1031057408.db2.gz LARPEMUYVGSRIZ-UHFFFAOYSA-N 2 2 318.358 3.703 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cnn(C)c1 ZINC000927069995 1031071723 /nfs/dbraw/zinc/07/17/23/1031071723.db2.gz YJUQMETZAGFNFF-KXBFYZLASA-N 2 2 323.444 3.654 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc2ccccc21 ZINC000927110202 1031093158 /nfs/dbraw/zinc/09/31/58/1031093158.db2.gz SWFIDRBNJWPGFT-LPHOPBHVSA-N 2 2 324.468 3.744 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)c1cccc2ccccc21 ZINC000927110202 1031093177 /nfs/dbraw/zinc/09/31/77/1031093177.db2.gz SWFIDRBNJWPGFT-LPHOPBHVSA-N 2 2 324.468 3.744 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1)CCC2 ZINC000359953367 1031217476 /nfs/dbraw/zinc/21/74/76/1031217476.db2.gz WFFHGCUCUXLQMS-OCCSQVGLSA-N 2 2 305.372 3.698 20 0 DHADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139241 1031239989 /nfs/dbraw/zinc/23/99/89/1031239989.db2.gz KCONQPOVLIUVKE-UONOGXRCSA-N 2 2 313.272 3.535 20 0 DHADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139241 1031240009 /nfs/dbraw/zinc/24/00/09/1031240009.db2.gz KCONQPOVLIUVKE-UONOGXRCSA-N 2 2 313.272 3.535 20 0 DHADLP CCc1cc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)cc(CC)c1O ZINC001144150987 1031287733 /nfs/dbraw/zinc/28/77/33/1031287733.db2.gz LWHCFMPAXFQMRQ-UHFFFAOYSA-N 2 2 316.489 3.576 20 0 DHADLP CCc1cc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)cc(CC)c1O ZINC001144150987 1031287743 /nfs/dbraw/zinc/28/77/43/1031287743.db2.gz LWHCFMPAXFQMRQ-UHFFFAOYSA-N 2 2 316.489 3.576 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@H]1CCCOC1 ZINC000872033506 1031416922 /nfs/dbraw/zinc/41/69/22/1031416922.db2.gz DDYFITUREPXLGD-NEWSRXKRSA-N 2 2 318.505 3.911 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCCOC1 ZINC000872033508 1031417310 /nfs/dbraw/zinc/41/73/10/1031417310.db2.gz DDYFITUREPXLGD-UHOSZYNNSA-N 2 2 318.505 3.911 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(O)c1F ZINC000872039858 1031422969 /nfs/dbraw/zinc/42/29/69/1031422969.db2.gz INBPCSWNSZBQSE-ZDUSSCGKSA-N 2 2 306.425 3.589 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cc(O)ccc1F ZINC000872041265 1031426450 /nfs/dbraw/zinc/42/64/50/1031426450.db2.gz RIVZXYMNZDVZOL-CQSZACIVSA-N 2 2 320.452 3.979 20 0 DHADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CSc4ccccc43)cc2)c[nH+]1 ZINC001202535406 1031634010 /nfs/dbraw/zinc/63/40/10/1031634010.db2.gz BXJOURSSRSOPAX-MRXNPFEDSA-N 2 2 321.449 3.851 20 0 DHADLP Clc1ccccc1C[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000293837937 1031648776 /nfs/dbraw/zinc/64/87/76/1031648776.db2.gz STIBGWCXEQLGBE-KRWDZBQOSA-N 2 2 303.837 3.538 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(O)c1Cl ZINC000293857252 1031660431 /nfs/dbraw/zinc/66/04/31/1031660431.db2.gz ICZREPIZNGNHTI-UHFFFAOYSA-N 2 2 321.852 3.717 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(O)c1Cl ZINC000293857252 1031660438 /nfs/dbraw/zinc/66/04/38/1031660438.db2.gz ICZREPIZNGNHTI-UHFFFAOYSA-N 2 2 321.852 3.717 20 0 DHADLP Cc1cc(C)nc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000929983251 1031669008 /nfs/dbraw/zinc/66/90/08/1031669008.db2.gz ZKGBEISOWNOBNN-UHFFFAOYSA-N 2 2 323.484 3.795 20 0 DHADLP Cc1cc(C)nc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000929983251 1031669010 /nfs/dbraw/zinc/66/90/10/1031669010.db2.gz ZKGBEISOWNOBNN-UHFFFAOYSA-N 2 2 323.484 3.795 20 0 DHADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000035054716 1031689066 /nfs/dbraw/zinc/68/90/66/1031689066.db2.gz ZNOIIOXBCKJXJK-UHFFFAOYSA-N 2 2 320.811 3.619 20 0 DHADLP Fc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000361059220 1031703494 /nfs/dbraw/zinc/70/34/94/1031703494.db2.gz GFYFLKSVLZQLSH-UHFFFAOYSA-N 2 2 301.409 3.715 20 0 DHADLP C[C@H]([NH2+]CCN(C)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361087835 1031721152 /nfs/dbraw/zinc/72/11/52/1031721152.db2.gz VDEZWXPZTROEEZ-KRWDZBQOSA-N 2 2 320.440 3.659 20 0 DHADLP Cc1cc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)ccc1Oc1cccnc1 ZINC000873230556 1031762890 /nfs/dbraw/zinc/76/28/90/1031762890.db2.gz TXDPDKXROBVRPI-WOJBJXKFSA-N 2 2 323.440 3.557 20 0 DHADLP Cc1[nH+]cc(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)n1-c1ccccc1 ZINC000873218131 1031765603 /nfs/dbraw/zinc/76/56/03/1031765603.db2.gz XSPGWXFDSXKALN-VQTJNVASSA-N 2 2 318.424 3.607 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000361246920 1031811854 /nfs/dbraw/zinc/81/18/54/1031811854.db2.gz TZNJWTGOKSANGD-NJAFHUGGSA-N 2 2 303.494 3.706 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000361246920 1031811867 /nfs/dbraw/zinc/81/18/67/1031811867.db2.gz TZNJWTGOKSANGD-NJAFHUGGSA-N 2 2 303.494 3.706 20 0 DHADLP ClC1(Cl)C[C@@H]1CCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000846103482 1031876427 /nfs/dbraw/zinc/87/64/27/1031876427.db2.gz YXIYVQXMXZHVJP-AWEZNQCLSA-N 2 2 324.255 3.936 20 0 DHADLP CCCOc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897981408 1031911753 /nfs/dbraw/zinc/91/17/53/1031911753.db2.gz LVYKMEADBGJZGC-UHFFFAOYSA-N 2 2 302.462 3.582 20 0 DHADLP FC1(F)CCC(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000898032278 1031926119 /nfs/dbraw/zinc/92/61/19/1031926119.db2.gz YPRLSRMHVKZDDM-UHFFFAOYSA-N 2 2 323.431 3.856 20 0 DHADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCCOc4ccccc43)c2)c[nH+]1 ZINC000361496083 1031957424 /nfs/dbraw/zinc/95/74/24/1031957424.db2.gz IZKBVFRUNPSYEB-LJQANCHMSA-N 2 2 319.408 3.876 20 0 DHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000361557377 1031982783 /nfs/dbraw/zinc/98/27/83/1031982783.db2.gz QOEMKNBICMTSNQ-UHFFFAOYSA-N 2 2 309.866 3.590 20 0 DHADLP C[C@@H]1CC=CC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000898223790 1032007257 /nfs/dbraw/zinc/00/72/57/1032007257.db2.gz FZPLGGACQDGCSH-OXQOHEQNSA-N 2 2 313.489 3.666 20 0 DHADLP CC[NH+](CC)C1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172719488 1033326612 /nfs/dbraw/zinc/32/66/12/1033326612.db2.gz OMIXDDQTACCBSC-SFHVURJKSA-N 2 2 306.881 3.613 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1)CC2 ZINC001172832136 1033396332 /nfs/dbraw/zinc/39/63/32/1033396332.db2.gz QVJFIQPSXOQNBZ-MOPGFXCFSA-N 2 2 300.490 3.562 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1)CC2 ZINC001172832136 1033396347 /nfs/dbraw/zinc/39/63/47/1033396347.db2.gz QVJFIQPSXOQNBZ-MOPGFXCFSA-N 2 2 300.490 3.562 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](Oc3cc[nH+]cc3C)C1)CC2 ZINC001172837149 1033399220 /nfs/dbraw/zinc/39/92/20/1033399220.db2.gz FJMVPVPFEOJOLA-VQTJNVASSA-N 2 2 322.452 3.709 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](Oc3cc[nH+]cc3C)C1)CC2 ZINC001172837149 1033399230 /nfs/dbraw/zinc/39/92/30/1033399230.db2.gz FJMVPVPFEOJOLA-VQTJNVASSA-N 2 2 322.452 3.709 20 0 DHADLP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877674011 1033407220 /nfs/dbraw/zinc/40/72/20/1033407220.db2.gz LCHXYBPEUZWSKZ-ZDUSSCGKSA-N 2 2 305.293 3.521 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H](C)c1nc2ccccc2s1 ZINC000152613686 1033531213 /nfs/dbraw/zinc/53/12/13/1033531213.db2.gz FNFURSBYPKHDNU-CHWSQXEVSA-N 2 2 305.491 3.718 20 0 DHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173198811 1033590265 /nfs/dbraw/zinc/59/02/65/1033590265.db2.gz IBTJDJWMQXGBMH-FDYSRKEFSA-N 2 2 316.489 3.697 20 0 DHADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3)CC2)C1 ZINC001173198811 1033590281 /nfs/dbraw/zinc/59/02/81/1033590281.db2.gz IBTJDJWMQXGBMH-FDYSRKEFSA-N 2 2 316.489 3.697 20 0 DHADLP CCc1ccc(C[C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001173240727 1033647044 /nfs/dbraw/zinc/64/70/44/1033647044.db2.gz CECYLJCRBQJGJQ-KRWDZBQOSA-N 2 2 323.484 3.834 20 0 DHADLP CCCCC[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000777202393 1033684649 /nfs/dbraw/zinc/68/46/49/1033684649.db2.gz UARSOJCHLWUYDC-MRXNPFEDSA-N 2 2 318.509 3.993 20 0 DHADLP C[N@H+](C1CC[NH+](C)CC1)C1CCC2(CCc3ccccc32)CC1 ZINC001173686116 1033830833 /nfs/dbraw/zinc/83/08/33/1033830833.db2.gz IOXLBFFCEQXJNQ-UHFFFAOYSA-N 2 2 312.501 3.839 20 0 DHADLP C[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CCc3ccccc32)CC1 ZINC001173686116 1033830843 /nfs/dbraw/zinc/83/08/43/1033830843.db2.gz IOXLBFFCEQXJNQ-UHFFFAOYSA-N 2 2 312.501 3.839 20 0 DHADLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(OC(F)F)cc1C ZINC000174317782 1033922445 /nfs/dbraw/zinc/92/24/45/1033922445.db2.gz MKTCEWIROUMGME-LBPRGKRZSA-N 2 2 323.387 3.527 20 0 DHADLP Cc1[nH+]ccn1CC[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879158455 1033938018 /nfs/dbraw/zinc/93/80/18/1033938018.db2.gz JCVQXHFFYIDXOC-UHFFFAOYSA-N 2 2 318.808 3.511 20 0 DHADLP CCCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c(C)c1 ZINC000667570549 1033946809 /nfs/dbraw/zinc/94/68/09/1033946809.db2.gz AWXBLOYFGSBWSV-UHFFFAOYSA-N 2 2 304.478 3.746 20 0 DHADLP CC[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CC1 ZINC000777301770 1034067156 /nfs/dbraw/zinc/06/71/56/1034067156.db2.gz WMWQSCANLWOGME-IBGZPJMESA-N 2 2 301.478 3.818 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000480191616 1034128103 /nfs/dbraw/zinc/12/81/03/1034128103.db2.gz GSXJYICTVISNCD-LBPRGKRZSA-N 2 2 318.383 3.808 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000480191616 1034128108 /nfs/dbraw/zinc/12/81/08/1034128108.db2.gz GSXJYICTVISNCD-LBPRGKRZSA-N 2 2 318.383 3.808 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000667666537 1034206881 /nfs/dbraw/zinc/20/68/81/1034206881.db2.gz PLFBQTSKILNRTP-PBHICJAKSA-N 2 2 320.452 3.529 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000667666537 1034206896 /nfs/dbraw/zinc/20/68/96/1034206896.db2.gz PLFBQTSKILNRTP-PBHICJAKSA-N 2 2 320.452 3.529 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000667666537 1034206909 /nfs/dbraw/zinc/20/69/09/1034206909.db2.gz PLFBQTSKILNRTP-PBHICJAKSA-N 2 2 320.452 3.529 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000667666537 1034206920 /nfs/dbraw/zinc/20/69/20/1034206920.db2.gz PLFBQTSKILNRTP-PBHICJAKSA-N 2 2 320.452 3.529 20 0 DHADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207938 1034245318 /nfs/dbraw/zinc/24/53/18/1034245318.db2.gz CRTDNDOEGMJGQK-FQEVSTJZSA-N 2 2 324.468 3.573 20 0 DHADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207938 1034245332 /nfs/dbraw/zinc/24/53/32/1034245332.db2.gz CRTDNDOEGMJGQK-FQEVSTJZSA-N 2 2 324.468 3.573 20 0 DHADLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000880383439 1034317842 /nfs/dbraw/zinc/31/78/42/1034317842.db2.gz CCMLLSQZGJDPME-UHFFFAOYSA-N 2 2 311.351 3.817 20 0 DHADLP CC(C)(C)OCCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569200 1034364869 /nfs/dbraw/zinc/36/48/69/1034364869.db2.gz IGZQCKHBMXNRBY-GOSISDBHSA-N 2 2 315.461 3.809 20 0 DHADLP C[C@@H](C[NH2+]C1CC(c2cc(F)cc(F)c2)C1)[NH+]1CCC(C)CC1 ZINC000554856171 1034379373 /nfs/dbraw/zinc/37/93/73/1034379373.db2.gz KNUMYQDRKDDBMG-ASFAAARLSA-N 2 2 322.443 3.921 20 0 DHADLP Clc1ccc2sc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000339069903 1034388701 /nfs/dbraw/zinc/38/87/01/1034388701.db2.gz YNPUGUXAKZMINM-QWHCGFSZSA-N 2 2 321.877 3.666 20 0 DHADLP Clc1ccc2sc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)nc2c1 ZINC000339069903 1034388716 /nfs/dbraw/zinc/38/87/16/1034388716.db2.gz YNPUGUXAKZMINM-QWHCGFSZSA-N 2 2 321.877 3.666 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889098 1034394793 /nfs/dbraw/zinc/39/47/93/1034394793.db2.gz GCUVXHARBYDTIL-RHSMWYFYSA-N 2 2 321.534 3.963 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889098 1034394804 /nfs/dbraw/zinc/39/48/04/1034394804.db2.gz GCUVXHARBYDTIL-RHSMWYFYSA-N 2 2 321.534 3.963 20 0 DHADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000480748737 1034428654 /nfs/dbraw/zinc/42/86/54/1034428654.db2.gz IJERBGUXOMXZFS-LBPRGKRZSA-N 2 2 319.276 3.612 20 0 DHADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000480748737 1034428660 /nfs/dbraw/zinc/42/86/60/1034428660.db2.gz IJERBGUXOMXZFS-LBPRGKRZSA-N 2 2 319.276 3.612 20 0 DHADLP Cc1cc(Nc2cc[nH+]c3ccc(Br)cc23)cc[nH+]1 ZINC001174653228 1034556451 /nfs/dbraw/zinc/55/64/51/1034556451.db2.gz CZUSIZMWEIUESL-UHFFFAOYSA-N 2 2 314.186 3.866 20 0 DHADLP CSc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001204146392 1034565370 /nfs/dbraw/zinc/56/53/70/1034565370.db2.gz NRCWAUQICOJGLI-UHFFFAOYSA-N 2 2 304.503 3.859 20 0 DHADLP CC(C)c1ccc[nH+]c1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174812960 1034635190 /nfs/dbraw/zinc/63/51/90/1034635190.db2.gz DQXAWLQCXULZOU-UHFFFAOYSA-N 2 2 310.445 3.700 20 0 DHADLP CCCc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000187136956 1034692034 /nfs/dbraw/zinc/69/20/34/1034692034.db2.gz KSMWLVNPUXNUJP-UHFFFAOYSA-N 2 2 320.440 3.818 20 0 DHADLP FC(F)(F)c1cccc(CCCC[NH2+]CCn2cc[nH+]c2)c1 ZINC000192452715 1034805949 /nfs/dbraw/zinc/80/59/49/1034805949.db2.gz ISFWHMQTBSPUBW-UHFFFAOYSA-N 2 2 311.351 3.514 20 0 DHADLP CN(C)c1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)c[nH+]1 ZINC001175344435 1034920328 /nfs/dbraw/zinc/92/03/28/1034920328.db2.gz ZNWJRPPVAKGZIB-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000481718076 1034951819 /nfs/dbraw/zinc/95/18/19/1034951819.db2.gz MAIDBGSZVUXDFB-LPHOPBHVSA-N 2 2 310.441 3.909 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000481718076 1034951829 /nfs/dbraw/zinc/95/18/29/1034951829.db2.gz MAIDBGSZVUXDFB-LPHOPBHVSA-N 2 2 310.441 3.909 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001175503737 1035013444 /nfs/dbraw/zinc/01/34/44/1035013444.db2.gz QQKFDIQAIHHVRU-GOSISDBHSA-N 2 2 301.409 3.542 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001175503737 1035013453 /nfs/dbraw/zinc/01/34/53/1035013453.db2.gz QQKFDIQAIHHVRU-GOSISDBHSA-N 2 2 301.409 3.542 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000481912861 1035032934 /nfs/dbraw/zinc/03/29/34/1035032934.db2.gz ZLKANCLQPAHEKJ-HIFRSBDPSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000481912861 1035032942 /nfs/dbraw/zinc/03/29/42/1035032942.db2.gz ZLKANCLQPAHEKJ-HIFRSBDPSA-N 2 2 314.395 3.710 20 0 DHADLP Cc1cc2[nH]c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2c(C)c1 ZINC000482012542 1035045938 /nfs/dbraw/zinc/04/59/38/1035045938.db2.gz ZQUQTYACHGZNDC-UZLBHIALSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2c(C)c1 ZINC000482012542 1035045943 /nfs/dbraw/zinc/04/59/43/1035045943.db2.gz ZQUQTYACHGZNDC-UZLBHIALSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2c(C)c1 ZINC000482012542 1035045950 /nfs/dbraw/zinc/04/59/50/1035045950.db2.gz ZQUQTYACHGZNDC-UZLBHIALSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1cc2[nH]c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2c(C)c1 ZINC000482012542 1035045956 /nfs/dbraw/zinc/04/59/56/1035045956.db2.gz ZQUQTYACHGZNDC-UZLBHIALSA-N 2 2 311.473 3.701 20 0 DHADLP CC(C)(C)[C@H]1CSCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001175698212 1035071851 /nfs/dbraw/zinc/07/18/51/1035071851.db2.gz MJUVWEUPKDELHJ-QGZVFWFLSA-N 2 2 315.486 3.836 20 0 DHADLP CC(C)(C)[C@H]1CSCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001175698212 1035071858 /nfs/dbraw/zinc/07/18/58/1035071858.db2.gz MJUVWEUPKDELHJ-QGZVFWFLSA-N 2 2 315.486 3.836 20 0 DHADLP Cc1ccc[nH+]c1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175797548 1035108331 /nfs/dbraw/zinc/10/83/31/1035108331.db2.gz VCMVIOFWRNVOHQ-UHFFFAOYSA-N 2 2 311.429 3.998 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000194472404 1035164529 /nfs/dbraw/zinc/16/45/29/1035164529.db2.gz ZQJJZDVZYIZIGK-GFCCVEGCSA-N 2 2 309.866 3.590 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000194472404 1035164533 /nfs/dbraw/zinc/16/45/33/1035164533.db2.gz ZQJJZDVZYIZIGK-GFCCVEGCSA-N 2 2 309.866 3.590 20 0 DHADLP CCCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(C)c1 ZINC000668167512 1035201228 /nfs/dbraw/zinc/20/12/28/1035201228.db2.gz CDUZSMFAOKXCLG-UHFFFAOYSA-N 2 2 301.434 3.502 20 0 DHADLP CCCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(C)c1 ZINC000668167512 1035201230 /nfs/dbraw/zinc/20/12/30/1035201230.db2.gz CDUZSMFAOKXCLG-UHFFFAOYSA-N 2 2 301.434 3.502 20 0 DHADLP Cn1c[nH+]cc1CCC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000568169840 1035214874 /nfs/dbraw/zinc/21/48/74/1035214874.db2.gz VLEGGZGFCCBZII-UHFFFAOYSA-N 2 2 312.244 3.792 20 0 DHADLP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000568169840 1035214875 /nfs/dbraw/zinc/21/48/75/1035214875.db2.gz VLEGGZGFCCBZII-UHFFFAOYSA-N 2 2 312.244 3.792 20 0 DHADLP C[NH+](C)Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001176289460 1035235270 /nfs/dbraw/zinc/23/52/70/1035235270.db2.gz JKKXCOOKOCGVRG-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000251761999 1035281799 /nfs/dbraw/zinc/28/17/99/1035281799.db2.gz LYVQMTWINCEWJS-LALPHHSUSA-N 2 2 311.267 3.569 20 0 DHADLP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000251761999 1035281806 /nfs/dbraw/zinc/28/18/06/1035281806.db2.gz LYVQMTWINCEWJS-LALPHHSUSA-N 2 2 311.267 3.569 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc(C)c1F ZINC000484275106 1035326883 /nfs/dbraw/zinc/32/68/83/1035326883.db2.gz KRKKESCTAHVSKH-OAHLLOKOSA-N 2 2 301.409 3.990 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ncccc1C ZINC001176896447 1035338305 /nfs/dbraw/zinc/33/83/05/1035338305.db2.gz GFNVGRKLTLDCCY-INIZCTEOSA-N 2 2 306.413 3.735 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001176991152 1035342163 /nfs/dbraw/zinc/34/21/63/1035342163.db2.gz QAHGCIMLKVVBJK-KRWDZBQOSA-N 2 2 312.461 3.721 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001176991152 1035342165 /nfs/dbraw/zinc/34/21/65/1035342165.db2.gz QAHGCIMLKVVBJK-KRWDZBQOSA-N 2 2 312.461 3.721 20 0 DHADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc2ccccc2c1 ZINC000484474530 1035343821 /nfs/dbraw/zinc/34/38/21/1035343821.db2.gz LXIRXRHBLNLPMT-HNAYVOBHSA-N 2 2 314.498 3.928 20 0 DHADLP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000484655612 1035384774 /nfs/dbraw/zinc/38/47/74/1035384774.db2.gz RDRSTTSBBDPBJX-MJGOQNOKSA-N 2 2 313.445 3.561 20 0 DHADLP C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904304111 1035397843 /nfs/dbraw/zinc/39/78/43/1035397843.db2.gz ROQYQAZPKMTEMB-CXAGYDPISA-N 2 2 303.475 3.679 20 0 DHADLP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904304111 1035397847 /nfs/dbraw/zinc/39/78/47/1035397847.db2.gz ROQYQAZPKMTEMB-CXAGYDPISA-N 2 2 303.475 3.679 20 0 DHADLP Cc1csc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC001177919217 1035398612 /nfs/dbraw/zinc/39/86/12/1035398612.db2.gz KJQMLIBOEQBGCH-CJNGLKHVSA-N 2 2 321.515 3.686 20 0 DHADLP Cc1csc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC001177919217 1035398615 /nfs/dbraw/zinc/39/86/15/1035398615.db2.gz KJQMLIBOEQBGCH-CJNGLKHVSA-N 2 2 321.515 3.686 20 0 DHADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC001177924515 1035399593 /nfs/dbraw/zinc/39/95/93/1035399593.db2.gz KOAIPQWEIAIYSY-PXNSSMCTSA-N 2 2 312.501 3.668 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1F ZINC001204212418 1035415513 /nfs/dbraw/zinc/41/55/13/1035415513.db2.gz PWKBKLMBFKDKOH-IRXDYDNUSA-N 2 2 308.416 3.804 20 0 DHADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1F ZINC001204212418 1035415515 /nfs/dbraw/zinc/41/55/15/1035415515.db2.gz PWKBKLMBFKDKOH-IRXDYDNUSA-N 2 2 308.416 3.804 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1F ZINC001204212418 1035415518 /nfs/dbraw/zinc/41/55/18/1035415518.db2.gz PWKBKLMBFKDKOH-IRXDYDNUSA-N 2 2 308.416 3.804 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1F ZINC001204212418 1035415519 /nfs/dbraw/zinc/41/55/19/1035415519.db2.gz PWKBKLMBFKDKOH-IRXDYDNUSA-N 2 2 308.416 3.804 20 0 DHADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC001179365542 1035475894 /nfs/dbraw/zinc/47/58/94/1035475894.db2.gz LDHOHBHGBIECSC-MSOLQXFVSA-N 2 2 318.530 3.772 20 0 DHADLP CC1(C)C[C@H]([NH2+]CC[C@@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC001179365542 1035475895 /nfs/dbraw/zinc/47/58/95/1035475895.db2.gz LDHOHBHGBIECSC-MSOLQXFVSA-N 2 2 318.530 3.772 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](c1ccccc1)C(C)C ZINC001179952788 1035545195 /nfs/dbraw/zinc/54/51/95/1035545195.db2.gz RSRZFUWRDIOPAA-AABGKKOBSA-N 2 2 300.490 3.985 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](c1ccccc1)C(C)C ZINC001179952788 1035545198 /nfs/dbraw/zinc/54/51/98/1035545198.db2.gz RSRZFUWRDIOPAA-AABGKKOBSA-N 2 2 300.490 3.985 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](c1ccccc1)C(C)C ZINC001179952788 1035545205 /nfs/dbraw/zinc/54/52/05/1035545205.db2.gz RSRZFUWRDIOPAA-AABGKKOBSA-N 2 2 300.490 3.985 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](c1ccccc1)C(C)C ZINC001179952788 1035545211 /nfs/dbraw/zinc/54/52/11/1035545211.db2.gz RSRZFUWRDIOPAA-AABGKKOBSA-N 2 2 300.490 3.985 20 0 DHADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc2c(F)cccc2c1 ZINC001180098345 1035598140 /nfs/dbraw/zinc/59/81/40/1035598140.db2.gz LTKWXHQJRSYTCL-KRWDZBQOSA-N 2 2 315.436 3.680 20 0 DHADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc2c(F)cccc2c1 ZINC001180098345 1035598146 /nfs/dbraw/zinc/59/81/46/1035598146.db2.gz LTKWXHQJRSYTCL-KRWDZBQOSA-N 2 2 315.436 3.680 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc2c(F)cccc2c1 ZINC001180098345 1035598155 /nfs/dbraw/zinc/59/81/55/1035598155.db2.gz LTKWXHQJRSYTCL-KRWDZBQOSA-N 2 2 315.436 3.680 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnc2c(F)cccc2c1 ZINC001180098345 1035598159 /nfs/dbraw/zinc/59/81/59/1035598159.db2.gz LTKWXHQJRSYTCL-KRWDZBQOSA-N 2 2 315.436 3.680 20 0 DHADLP CCc1onc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000929508407 1035625917 /nfs/dbraw/zinc/62/59/17/1035625917.db2.gz DBVLHWRTDZEGAM-KRWDZBQOSA-N 2 2 319.493 3.633 20 0 DHADLP CCc1onc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000929508407 1035625931 /nfs/dbraw/zinc/62/59/31/1035625931.db2.gz DBVLHWRTDZEGAM-KRWDZBQOSA-N 2 2 319.493 3.633 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000539742285 1035844766 /nfs/dbraw/zinc/84/47/66/1035844766.db2.gz YEWGKOABBBFFME-KXBFYZLASA-N 2 2 324.472 3.639 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000539742285 1035844790 /nfs/dbraw/zinc/84/47/90/1035844790.db2.gz YEWGKOABBBFFME-KXBFYZLASA-N 2 2 324.472 3.639 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000193250094 1035855025 /nfs/dbraw/zinc/85/50/25/1035855025.db2.gz KUQZUBWTSZVIOD-CYBMUJFWSA-N 2 2 315.288 3.810 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000193250094 1035855045 /nfs/dbraw/zinc/85/50/45/1035855045.db2.gz KUQZUBWTSZVIOD-CYBMUJFWSA-N 2 2 315.288 3.810 20 0 DHADLP C[C@@H](CSCCF)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001181914066 1036048062 /nfs/dbraw/zinc/04/80/62/1036048062.db2.gz UQVWEWOGGVRAMA-INIZCTEOSA-N 2 2 324.509 3.722 20 0 DHADLP C[C@@H](CSCCF)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001181914066 1036048084 /nfs/dbraw/zinc/04/80/84/1036048084.db2.gz UQVWEWOGGVRAMA-INIZCTEOSA-N 2 2 324.509 3.722 20 0 DHADLP C(=C\c1ccncc1)\C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000494944436 1036133222 /nfs/dbraw/zinc/13/32/22/1036133222.db2.gz BJIUNEPZEYRUGU-BPJPHKDRSA-N 2 2 313.489 3.683 20 0 DHADLP C(=C\c1ccncc1)\C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000494944436 1036133228 /nfs/dbraw/zinc/13/32/28/1036133228.db2.gz BJIUNEPZEYRUGU-BPJPHKDRSA-N 2 2 313.489 3.683 20 0 DHADLP C(=C/c1ccncc1)\C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000494944439 1036133828 /nfs/dbraw/zinc/13/38/28/1036133828.db2.gz BJIUNEPZEYRUGU-ZEZYUPADSA-N 2 2 313.489 3.683 20 0 DHADLP C(=C/c1ccncc1)\C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000494944439 1036133838 /nfs/dbraw/zinc/13/38/38/1036133838.db2.gz BJIUNEPZEYRUGU-ZEZYUPADSA-N 2 2 313.489 3.683 20 0 DHADLP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495003854 1036179635 /nfs/dbraw/zinc/17/96/35/1036179635.db2.gz DLIYHKMTMFNIBO-KRWDZBQOSA-N 2 2 313.445 3.675 20 0 DHADLP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495003854 1036179641 /nfs/dbraw/zinc/17/96/41/1036179641.db2.gz DLIYHKMTMFNIBO-KRWDZBQOSA-N 2 2 313.445 3.675 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCOc3cccc4ccccc43)C2)[nH]1 ZINC000495020435 1036187846 /nfs/dbraw/zinc/18/78/46/1036187846.db2.gz SCQKGDWKXDJMMB-QGZVFWFLSA-N 2 2 321.424 3.821 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCOc3cccc4ccccc43)C2)[nH]1 ZINC000495020435 1036187859 /nfs/dbraw/zinc/18/78/59/1036187859.db2.gz SCQKGDWKXDJMMB-QGZVFWFLSA-N 2 2 321.424 3.821 20 0 DHADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000541771115 1036429787 /nfs/dbraw/zinc/42/97/87/1036429787.db2.gz MKGCOEUGBVYSMD-YZTRRJNXSA-N 2 2 320.427 3.928 20 0 DHADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000541771115 1036429797 /nfs/dbraw/zinc/42/97/97/1036429797.db2.gz MKGCOEUGBVYSMD-YZTRRJNXSA-N 2 2 320.427 3.928 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+]C[C@H]2CCSC2)c2ccccc2)CC1 ZINC000486961997 1036489644 /nfs/dbraw/zinc/48/96/44/1036489644.db2.gz XKJUZOVWTGUNFO-IEBWSBKVSA-N 2 2 318.530 3.802 20 0 DHADLP C(=C\c1ccncc1)\C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000486963412 1036490300 /nfs/dbraw/zinc/49/03/00/1036490300.db2.gz GAPWOIZZPHKRRG-PXDRNWIDSA-N 2 2 307.441 3.522 20 0 DHADLP Oc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1Cl ZINC001203559414 1036526015 /nfs/dbraw/zinc/52/60/15/1036526015.db2.gz KGDUNHXEFSAEKW-UHFFFAOYSA-N 2 2 319.817 3.583 20 0 DHADLP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC001183145599 1036526187 /nfs/dbraw/zinc/52/61/87/1036526187.db2.gz KCECJYDCAHNJKY-RANZSIQMSA-N 2 2 304.503 3.523 20 0 DHADLP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001183145599 1036526197 /nfs/dbraw/zinc/52/61/97/1036526197.db2.gz KCECJYDCAHNJKY-RANZSIQMSA-N 2 2 304.503 3.523 20 0 DHADLP Fc1ccc(CCC[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1F ZINC001183237811 1036546821 /nfs/dbraw/zinc/54/68/21/1036546821.db2.gz CYEFNRASWQLSCE-MRXNPFEDSA-N 2 2 308.416 3.504 20 0 DHADLP Fc1ccc(CCC[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1F ZINC001183237811 1036546835 /nfs/dbraw/zinc/54/68/35/1036546835.db2.gz CYEFNRASWQLSCE-MRXNPFEDSA-N 2 2 308.416 3.504 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC001183335533 1036575839 /nfs/dbraw/zinc/57/58/39/1036575839.db2.gz JFVOBRGLQZQFNB-NZSAHSFTSA-N 2 2 318.530 3.772 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC001183335533 1036575853 /nfs/dbraw/zinc/57/58/53/1036575853.db2.gz JFVOBRGLQZQFNB-NZSAHSFTSA-N 2 2 318.530 3.772 20 0 DHADLP CSc1ccccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001196683607 1036585000 /nfs/dbraw/zinc/58/50/00/1036585000.db2.gz GPKFUEIGDRVWKT-UHFFFAOYSA-N 2 2 304.503 3.859 20 0 DHADLP CO[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CCCC1 ZINC001183378795 1036588811 /nfs/dbraw/zinc/58/88/11/1036588811.db2.gz DTDKISGCJZBWDZ-OALUTQOASA-N 2 2 308.510 3.578 20 0 DHADLP CO[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1CCCC1 ZINC001183378795 1036588818 /nfs/dbraw/zinc/58/88/18/1036588818.db2.gz DTDKISGCJZBWDZ-OALUTQOASA-N 2 2 308.510 3.578 20 0 DHADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2F)CC1 ZINC001205281118 1036662646 /nfs/dbraw/zinc/66/26/46/1036662646.db2.gz PWTFDZMCTSDJDW-AWEZNQCLSA-N 2 2 322.321 3.687 20 0 DHADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2F)CC1 ZINC001205281118 1036662663 /nfs/dbraw/zinc/66/26/63/1036662663.db2.gz PWTFDZMCTSDJDW-AWEZNQCLSA-N 2 2 322.321 3.687 20 0 DHADLP CC(C)COc1cccc(C[NH+]2CCC(C)([NH+](C)C)CC2)c1 ZINC001196982339 1036664327 /nfs/dbraw/zinc/66/43/27/1036664327.db2.gz LVWMOLPPEYGIAT-UHFFFAOYSA-N 2 2 304.478 3.638 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H]2CCSC2)c(C)c1 ZINC000487573861 1036686411 /nfs/dbraw/zinc/68/64/11/1036686411.db2.gz MAJKNCXZSMECOQ-AEFFLSMTSA-N 2 2 315.486 3.584 20 0 DHADLP CCc1cc(NCc2ccc(C[NH+]3CCCC3)cc2)nc(CC)[nH+]1 ZINC001184666438 1036925004 /nfs/dbraw/zinc/92/50/04/1036925004.db2.gz LRMIXFWYRMHCLU-UHFFFAOYSA-N 2 2 324.472 3.809 20 0 DHADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CS1 ZINC000488446638 1037029724 /nfs/dbraw/zinc/02/97/24/1037029724.db2.gz UPQLBSUBIAREFJ-QZTJIDSGSA-N 2 2 315.486 3.551 20 0 DHADLP CCCCOCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001198952668 1037170798 /nfs/dbraw/zinc/17/07/98/1037170798.db2.gz RQSIVECTCNLCTJ-LJQANCHMSA-N 2 2 318.505 3.836 20 0 DHADLP CCCCOCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001198952668 1037170808 /nfs/dbraw/zinc/17/08/08/1037170808.db2.gz RQSIVECTCNLCTJ-LJQANCHMSA-N 2 2 318.505 3.836 20 0 DHADLP c1cn(-c2csc(C[NH2+]Cc3ccc4c(c3)CCC4)c2)c[nH+]1 ZINC001199319420 1037245615 /nfs/dbraw/zinc/24/56/15/1037245615.db2.gz BFEYITFLHFYHEI-UHFFFAOYSA-N 2 2 309.438 3.712 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C2CCC2)CCOCC1)c1ccccc1 ZINC000178534440 1037325777 /nfs/dbraw/zinc/32/57/77/1037325777.db2.gz UBLMBCGSAYPRQN-IRXDYDNUSA-N 2 2 316.489 3.665 20 0 DHADLP COc1ccccc1/C=C\C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001199751292 1037326912 /nfs/dbraw/zinc/32/69/12/1037326912.db2.gz NVVGXRPGWPRIDZ-TWGQIWQCSA-N 2 2 319.408 3.684 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+]Cc2cccc(CC3CCC3)c2)CCSC1 ZINC001200871819 1037454603 /nfs/dbraw/zinc/45/46/03/1037454603.db2.gz DVUAVBQYJBFKKN-IBGZPJMESA-N 2 2 318.530 3.556 20 0 DHADLP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282131413 1037491980 /nfs/dbraw/zinc/49/19/80/1037491980.db2.gz RJJUTLVEGSELPT-HZPDHXFCSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282131413 1037491982 /nfs/dbraw/zinc/49/19/82/1037491982.db2.gz RJJUTLVEGSELPT-HZPDHXFCSA-N 2 2 310.445 3.555 20 0 DHADLP CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CC1(C)C ZINC000397721552 1037516589 /nfs/dbraw/zinc/51/65/89/1037516589.db2.gz XPPMMOOXCMDYTK-IAGOWNOFSA-N 2 2 301.478 3.855 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2[nH]ccc21 ZINC000494020789 1037620869 /nfs/dbraw/zinc/62/08/69/1037620869.db2.gz ZWODLDMUWGIMSS-UHFFFAOYSA-N 2 2 316.408 3.986 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2[nH]ccc21 ZINC000494020789 1037620877 /nfs/dbraw/zinc/62/08/77/1037620877.db2.gz ZWODLDMUWGIMSS-UHFFFAOYSA-N 2 2 316.408 3.986 20 0 DHADLP C[NH+](C)Cc1cccc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001201391574 1037649717 /nfs/dbraw/zinc/64/97/17/1037649717.db2.gz DRJVIYKBUPWCST-UHFFFAOYSA-N 2 2 300.793 3.793 20 0 DHADLP c1ccc([C@@H]2CSCC[N@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000125214084 1037927192 /nfs/dbraw/zinc/92/71/92/1037927192.db2.gz WXEUOKGFMZTNMV-SFHVURJKSA-N 2 2 304.503 3.653 20 0 DHADLP c1ccc([C@@H]2CSCC[N@@H+]2CCC[NH+]2CCCCC2)cc1 ZINC000125214084 1037927207 /nfs/dbraw/zinc/92/72/07/1037927207.db2.gz WXEUOKGFMZTNMV-SFHVURJKSA-N 2 2 304.503 3.653 20 0 DHADLP CCCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000916839957 1037992787 /nfs/dbraw/zinc/99/27/87/1037992787.db2.gz RRLRCESMGOOFHY-UHFFFAOYSA-N 2 2 320.440 3.818 20 0 DHADLP CCc1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000571453361 1038143637 /nfs/dbraw/zinc/14/36/37/1038143637.db2.gz SJWNAOUDTSNMKD-UHFFFAOYSA-N 2 2 305.425 3.784 20 0 DHADLP CC[N@H+](Cc1cccc(F)c1F)C1CC[NH+](CC2CC2)CC1 ZINC001168388190 1038450875 /nfs/dbraw/zinc/45/08/75/1038450875.db2.gz CMIDQIRNBIEEEM-UHFFFAOYSA-N 2 2 308.416 3.661 20 0 DHADLP CC[N@@H+](Cc1cccc(F)c1F)C1CC[NH+](CC2CC2)CC1 ZINC001168388190 1038450880 /nfs/dbraw/zinc/45/08/80/1038450880.db2.gz CMIDQIRNBIEEEM-UHFFFAOYSA-N 2 2 308.416 3.661 20 0 DHADLP C[C@@H](Cc1ccsc1)[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000573645615 1039027401 /nfs/dbraw/zinc/02/74/01/1039027401.db2.gz IVQOJBZPMYUFRZ-HNNXBMFYSA-N 2 2 318.486 3.869 20 0 DHADLP C[C@@H](Cc1ccsc1)[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000573645615 1039027417 /nfs/dbraw/zinc/02/74/17/1039027417.db2.gz IVQOJBZPMYUFRZ-HNNXBMFYSA-N 2 2 318.486 3.869 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573921208 1039104929 /nfs/dbraw/zinc/10/49/29/1039104929.db2.gz MSBLGXUCGDFDDA-CZUORRHYSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573921208 1039104934 /nfs/dbraw/zinc/10/49/34/1039104934.db2.gz MSBLGXUCGDFDDA-CZUORRHYSA-N 2 2 323.278 3.586 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCCc4sccc4C3)cc2)c[nH+]1 ZINC000592982738 1039339961 /nfs/dbraw/zinc/33/99/61/1039339961.db2.gz GWSXGDXZLJPOEJ-UHFFFAOYSA-N 2 2 309.438 3.882 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCCc4sccc4C3)cc2)c[nH+]1 ZINC000592982738 1039339978 /nfs/dbraw/zinc/33/99/78/1039339978.db2.gz GWSXGDXZLJPOEJ-UHFFFAOYSA-N 2 2 309.438 3.882 20 0 DHADLP COc1ccccc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608076391 1040367866 /nfs/dbraw/zinc/36/78/66/1040367866.db2.gz ZZXVQVODZJYVEZ-GOSISDBHSA-N 2 2 321.424 3.502 20 0 DHADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(O)c1 ZINC000669615330 1040784933 /nfs/dbraw/zinc/78/49/33/1040784933.db2.gz LJUCTOMDLCFYSO-DNVCBOLYSA-N 2 2 321.424 3.760 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000090667215 185308441 /nfs/dbraw/zinc/30/84/41/185308441.db2.gz LCTDZZPRGWTEMB-HRAATJIYSA-N 2 2 321.468 3.884 20 0 DHADLP C[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)c1cccnc1 ZINC000092719641 185336171 /nfs/dbraw/zinc/33/61/71/185336171.db2.gz DJODHNNRBQFJFD-GOEBONIOSA-N 2 2 301.459 3.631 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000170987055 335012305 /nfs/dbraw/zinc/01/23/05/335012305.db2.gz JIGVFIHBNCGEGN-UHFFFAOYSA-N 2 2 312.910 3.895 20 0 DHADLP COc1cccc2c(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc[nH+]c12 ZINC000275777613 130383264 /nfs/dbraw/zinc/38/32/64/130383264.db2.gz HQYMAXDDPSLFRV-RHSMWYFYSA-N 2 2 322.412 3.527 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)no1 ZINC000283995521 131039779 /nfs/dbraw/zinc/03/97/79/131039779.db2.gz HMRXSHKMERMPTI-GDBMZVCRSA-N 2 2 301.434 3.544 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)no1 ZINC000283995521 131039780 /nfs/dbraw/zinc/03/97/80/131039780.db2.gz HMRXSHKMERMPTI-GDBMZVCRSA-N 2 2 301.434 3.544 20 0 DHADLP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]CCn2cc[nH+]c2)c1 ZINC000284396081 131076773 /nfs/dbraw/zinc/07/67/73/131076773.db2.gz PKVAVRKLJJUWBN-JKSUJKDBSA-N 2 2 323.362 3.828 20 0 DHADLP COc1cc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)ccc1OC1CCCC1 ZINC000340196734 131137705 /nfs/dbraw/zinc/13/77/05/131137705.db2.gz HPIAUAKQGJJCJV-ZDUSSCGKSA-N 2 2 315.417 3.591 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)no1 ZINC000285298143 131155258 /nfs/dbraw/zinc/15/52/58/131155258.db2.gz RWLBDVMXROQUFH-OAHLLOKOSA-N 2 2 301.434 3.674 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)no1 ZINC000285298143 131155260 /nfs/dbraw/zinc/15/52/60/131155260.db2.gz RWLBDVMXROQUFH-OAHLLOKOSA-N 2 2 301.434 3.674 20 0 DHADLP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340220425 131218858 /nfs/dbraw/zinc/21/88/58/131218858.db2.gz ABPMBHKZYCCDHU-JYBIWHBTSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340220425 131218859 /nfs/dbraw/zinc/21/88/59/131218859.db2.gz ABPMBHKZYCCDHU-JYBIWHBTSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340220423 131218943 /nfs/dbraw/zinc/21/89/43/131218943.db2.gz ABPMBHKZYCCDHU-IZBJGVDFSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340220423 131218945 /nfs/dbraw/zinc/21/89/45/131218945.db2.gz ABPMBHKZYCCDHU-IZBJGVDFSA-N 2 2 316.489 3.587 20 0 DHADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340247377 131265448 /nfs/dbraw/zinc/26/54/48/131265448.db2.gz NQKHGVOJTABOPJ-SJORKVTESA-N 2 2 315.486 3.685 20 0 DHADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340247377 131265450 /nfs/dbraw/zinc/26/54/50/131265450.db2.gz NQKHGVOJTABOPJ-SJORKVTESA-N 2 2 315.486 3.685 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000287473838 131282258 /nfs/dbraw/zinc/28/22/58/131282258.db2.gz WOVGOESUKFFSRP-ABSDTBQOSA-N 2 2 309.457 3.704 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000287473838 131282259 /nfs/dbraw/zinc/28/22/59/131282259.db2.gz WOVGOESUKFFSRP-ABSDTBQOSA-N 2 2 309.457 3.704 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000340261652 131300167 /nfs/dbraw/zinc/30/01/67/131300167.db2.gz VBNIUUGETKOFLZ-AWEZNQCLSA-N 2 2 301.409 3.542 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000340261652 131300169 /nfs/dbraw/zinc/30/01/69/131300169.db2.gz VBNIUUGETKOFLZ-AWEZNQCLSA-N 2 2 301.409 3.542 20 0 DHADLP C[C@@H]1[C@H]([NH2+]CCCc2ccccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000340307587 131368667 /nfs/dbraw/zinc/36/86/67/131368667.db2.gz HABZDVXEKAEBCZ-WIYYLYMNSA-N 2 2 323.484 3.657 20 0 DHADLP C[C@@H]1[C@H]([NH2+]CCCc2ccccn2)CCC[N@H+]1Cc1ccccc1 ZINC000340307587 131368668 /nfs/dbraw/zinc/36/86/68/131368668.db2.gz HABZDVXEKAEBCZ-WIYYLYMNSA-N 2 2 323.484 3.657 20 0 DHADLP CCOc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1OC ZINC000289306050 131372215 /nfs/dbraw/zinc/37/22/15/131372215.db2.gz ROPBESGBZDBUGT-UHFFFAOYSA-N 2 2 314.429 3.520 20 0 DHADLP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000297566214 132022979 /nfs/dbraw/zinc/02/29/79/132022979.db2.gz CMEQFVVUPAFSCZ-ZIAGYGMSSA-N 2 2 305.853 3.740 20 0 DHADLP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297566214 132022981 /nfs/dbraw/zinc/02/29/81/132022981.db2.gz CMEQFVVUPAFSCZ-ZIAGYGMSSA-N 2 2 305.853 3.740 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000297852391 132037601 /nfs/dbraw/zinc/03/76/01/132037601.db2.gz OSDDHMYXGFNNOX-UHFFFAOYSA-N 2 2 315.436 3.589 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000297852391 132037602 /nfs/dbraw/zinc/03/76/02/132037602.db2.gz OSDDHMYXGFNNOX-UHFFFAOYSA-N 2 2 315.436 3.589 20 0 DHADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)c1ccccc1OC ZINC000343315402 335066722 /nfs/dbraw/zinc/06/67/22/335066722.db2.gz PVUUBGCLMAHZEJ-INIZCTEOSA-N 2 2 301.434 3.755 20 0 DHADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)c1ccccc1OC ZINC000343315402 335066723 /nfs/dbraw/zinc/06/67/23/335066723.db2.gz PVUUBGCLMAHZEJ-INIZCTEOSA-N 2 2 301.434 3.755 20 0 DHADLP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000343315900 335071143 /nfs/dbraw/zinc/07/11/43/335071143.db2.gz RUCVXXUSQVHCBR-SFHVURJKSA-N 2 2 303.425 3.611 20 0 DHADLP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000343315900 335071144 /nfs/dbraw/zinc/07/11/44/335071144.db2.gz RUCVXXUSQVHCBR-SFHVURJKSA-N 2 2 303.425 3.611 20 0 DHADLP Fc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C2CCCC2)c(F)c1 ZINC000343318773 335074979 /nfs/dbraw/zinc/07/49/79/335074979.db2.gz BISGBDWOVIRJGO-UHFFFAOYSA-N 2 2 319.399 3.996 20 0 DHADLP Cc1nc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc[nH+]1 ZINC000525707403 435007121 /nfs/dbraw/zinc/00/71/21/435007121.db2.gz PTHLKTCOCQYYLB-MRXNPFEDSA-N 2 2 316.836 3.687 20 0 DHADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000179496498 331525279 /nfs/dbraw/zinc/52/52/79/331525279.db2.gz HSDFPVCJMOQKNL-UHFFFAOYSA-N 2 2 302.393 3.612 20 0 DHADLP CC(C)COc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000179833655 331546895 /nfs/dbraw/zinc/54/68/95/331546895.db2.gz UVVMXBBIWANZEU-UHFFFAOYSA-N 2 2 304.478 3.684 20 0 DHADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000255716928 331792693 /nfs/dbraw/zinc/79/26/93/331792693.db2.gz USPXHYBNXFIJNI-XQRVVYSFSA-N 2 2 323.415 3.948 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000128482837 332012359 /nfs/dbraw/zinc/01/23/59/332012359.db2.gz GLUYXAYJLFAKNP-CQSZACIVSA-N 2 2 309.504 3.677 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000128482837 332012361 /nfs/dbraw/zinc/01/23/61/332012361.db2.gz GLUYXAYJLFAKNP-CQSZACIVSA-N 2 2 309.504 3.677 20 0 DHADLP CC(C)C1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000131040963 332027088 /nfs/dbraw/zinc/02/70/88/332027088.db2.gz ONQDAACSNYOSHT-UHFFFAOYSA-N 2 2 301.478 3.855 20 0 DHADLP C[NH+](C)C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000091669353 332109733 /nfs/dbraw/zinc/10/97/33/332109733.db2.gz QKGJWELWXQOWHW-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP CC(C)CSCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536370653 332233583 /nfs/dbraw/zinc/23/35/83/332233583.db2.gz QUCPFMMDJNVGQO-UHFFFAOYSA-N 2 2 307.507 3.737 20 0 DHADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559773631 332280667 /nfs/dbraw/zinc/28/06/67/332280667.db2.gz BRCCRJBARYRGPD-WOJBJXKFSA-N 2 2 324.468 3.929 20 0 DHADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559773631 332280669 /nfs/dbraw/zinc/28/06/69/332280669.db2.gz BRCCRJBARYRGPD-WOJBJXKFSA-N 2 2 324.468 3.929 20 0 DHADLP Cc1cc([C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CC2)ccc1F ZINC000560270135 332325953 /nfs/dbraw/zinc/32/59/53/332325953.db2.gz JBBUMCGOQNJDBE-LJQANCHMSA-N 2 2 313.420 3.908 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2c(s1)CCC2 ZINC000152782831 332328452 /nfs/dbraw/zinc/32/84/52/332328452.db2.gz MVSJDJPZSYOGQE-ZDUSSCGKSA-N 2 2 315.486 3.663 20 0 DHADLP COc1ccc(CC(C)(C)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000560346805 332332616 /nfs/dbraw/zinc/33/26/16/332332616.db2.gz GDEIZPFHRXLAJO-UHFFFAOYSA-N 2 2 312.457 3.942 20 0 DHADLP C[NH+](C)CCCCC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000560702754 332379163 /nfs/dbraw/zinc/37/91/63/332379163.db2.gz RDJJYCQQJZGNKD-UHFFFAOYSA-N 2 2 314.433 3.501 20 0 DHADLP Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425583483 335106634 /nfs/dbraw/zinc/10/66/34/335106634.db2.gz AMLJEURYKWEQSH-GOSISDBHSA-N 2 2 323.440 3.549 20 0 DHADLP Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000425583483 335106635 /nfs/dbraw/zinc/10/66/35/335106635.db2.gz AMLJEURYKWEQSH-GOSISDBHSA-N 2 2 323.440 3.549 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427847953 332538250 /nfs/dbraw/zinc/53/82/50/332538250.db2.gz WHZQIURJVRBSHI-YGRLFVJLSA-N 2 2 322.239 3.782 20 0 DHADLP CCc1nc(C)c(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000428367021 332543920 /nfs/dbraw/zinc/54/39/20/332543920.db2.gz ZMEILKVUVUQCSQ-ZDUSSCGKSA-N 2 2 310.401 3.582 20 0 DHADLP C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427887401 332555409 /nfs/dbraw/zinc/55/54/09/332555409.db2.gz AWYPUXUVSSMKLK-GGEQCSGTSA-N 2 2 313.489 3.783 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCCCC1 ZINC000317421705 332720579 /nfs/dbraw/zinc/72/05/79/332720579.db2.gz FVBQOFZAAOWMNJ-INIZCTEOSA-N 2 2 301.478 3.999 20 0 DHADLP CCc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)s1 ZINC000518762371 332979813 /nfs/dbraw/zinc/97/98/13/332979813.db2.gz VJUHSIOBPNIKDN-UHFFFAOYSA-N 2 2 324.559 3.762 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000378870588 333058630 /nfs/dbraw/zinc/05/86/30/333058630.db2.gz MPZWQPWRBGOBCV-YLJYHZDGSA-N 2 2 324.468 3.577 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000378870588 333058631 /nfs/dbraw/zinc/05/86/31/333058631.db2.gz MPZWQPWRBGOBCV-YLJYHZDGSA-N 2 2 324.468 3.577 20 0 DHADLP Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)nc1C ZINC000314005783 333081794 /nfs/dbraw/zinc/08/17/94/333081794.db2.gz AXUMVIBGKQPFGX-INIZCTEOSA-N 2 2 306.413 3.735 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000314122438 333088297 /nfs/dbraw/zinc/08/82/97/333088297.db2.gz FAXWHAOFZUVVCH-TZMCWYRMSA-N 2 2 316.367 3.720 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000314122438 333088298 /nfs/dbraw/zinc/08/82/98/333088298.db2.gz FAXWHAOFZUVVCH-TZMCWYRMSA-N 2 2 316.367 3.720 20 0 DHADLP C/C(=C/c1ccccc1)C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000462722428 333094284 /nfs/dbraw/zinc/09/42/84/333094284.db2.gz BXFQDKOGFZOJOO-AQTBWJFISA-N 2 2 320.480 3.779 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CCC([NH+]2CCCCC2)CC1 ZINC000563884944 335123963 /nfs/dbraw/zinc/12/39/63/335123963.db2.gz SARFDNITCZICKQ-UHFFFAOYSA-N 2 2 309.457 3.998 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]C(CC(C)C)CC(C)C)CC1 ZINC000462110069 333140416 /nfs/dbraw/zinc/14/04/16/333140416.db2.gz GPAHAXZCVSHMGJ-UHFFFAOYSA-N 2 2 312.542 3.926 20 0 DHADLP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000117395436 333199467 /nfs/dbraw/zinc/19/94/67/333199467.db2.gz CGYVRBOPHLKHOG-DOTOQJQBSA-N 2 2 301.459 3.636 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCS2 ZINC000119637942 333255847 /nfs/dbraw/zinc/25/58/47/333255847.db2.gz YJHGOVSFUYWCCX-INIZCTEOSA-N 2 2 306.450 3.579 20 0 DHADLP CC(C)[NH+]1CCC(Nc2ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000190298420 333269526 /nfs/dbraw/zinc/26/95/26/333269526.db2.gz PUDSSLAVGGCRGV-OXJNMPFZSA-N 2 2 313.489 3.960 20 0 DHADLP CC(C)[NH+]1CCC(Nc2ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000190298420 333269527 /nfs/dbraw/zinc/26/95/27/333269527.db2.gz PUDSSLAVGGCRGV-OXJNMPFZSA-N 2 2 313.489 3.960 20 0 DHADLP [NH3+][C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H]1c1ccccc1 ZINC000319216275 333274463 /nfs/dbraw/zinc/27/44/63/333274463.db2.gz SDZOTSHHMBBCGU-DLBZAZTESA-N 2 2 302.368 3.551 20 0 DHADLP [NH3+][C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@H]1c1ccccc1 ZINC000319216275 333274464 /nfs/dbraw/zinc/27/44/64/333274464.db2.gz SDZOTSHHMBBCGU-DLBZAZTESA-N 2 2 302.368 3.551 20 0 DHADLP CC(C)COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000120492540 333285401 /nfs/dbraw/zinc/28/54/01/333285401.db2.gz XUACDNCCURGAQM-MRXNPFEDSA-N 2 2 301.434 3.659 20 0 DHADLP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000390515892 333288266 /nfs/dbraw/zinc/28/82/66/333288266.db2.gz CRPDYPWULGHOGT-SFHVURJKSA-N 2 2 316.395 3.719 20 0 DHADLP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000390515892 333288267 /nfs/dbraw/zinc/28/82/67/333288267.db2.gz CRPDYPWULGHOGT-SFHVURJKSA-N 2 2 316.395 3.719 20 0 DHADLP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000390515891 333288287 /nfs/dbraw/zinc/28/82/87/333288287.db2.gz CRPDYPWULGHOGT-GOSISDBHSA-N 2 2 316.395 3.719 20 0 DHADLP Fc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000390515891 333288289 /nfs/dbraw/zinc/28/82/89/333288289.db2.gz CRPDYPWULGHOGT-GOSISDBHSA-N 2 2 316.395 3.719 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000390539209 333293139 /nfs/dbraw/zinc/29/31/39/333293139.db2.gz GYUCBQJLCOMIKR-ZFWWWQNUSA-N 2 2 305.372 3.958 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000390539206 333293160 /nfs/dbraw/zinc/29/31/60/333293160.db2.gz GYUCBQJLCOMIKR-UKRRQHHQSA-N 2 2 305.372 3.958 20 0 DHADLP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390553528 333298136 /nfs/dbraw/zinc/29/81/36/333298136.db2.gz FJIQLRNAMLLVQZ-HXUWFJFHSA-N 2 2 324.468 3.840 20 0 DHADLP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390553528 333298138 /nfs/dbraw/zinc/29/81/38/333298138.db2.gz FJIQLRNAMLLVQZ-HXUWFJFHSA-N 2 2 324.468 3.840 20 0 DHADLP Cc1cc(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)ccc1F ZINC000390637898 333308731 /nfs/dbraw/zinc/30/87/31/333308731.db2.gz KBJJQBBRDQSOCL-INIZCTEOSA-N 2 2 300.421 3.744 20 0 DHADLP Cc1cc(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1F ZINC000390637898 333308733 /nfs/dbraw/zinc/30/87/33/333308733.db2.gz KBJJQBBRDQSOCL-INIZCTEOSA-N 2 2 300.421 3.744 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000514090987 333316910 /nfs/dbraw/zinc/31/69/10/333316910.db2.gz XRKAMLFPBZPQNY-FUHWJXTLSA-N 2 2 318.509 3.885 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000514090987 333316911 /nfs/dbraw/zinc/31/69/11/333316911.db2.gz XRKAMLFPBZPQNY-FUHWJXTLSA-N 2 2 318.509 3.885 20 0 DHADLP CC(C)c1nc(NCc2ccc(C[NH+]3CCCC3)cc2)cc[nH+]1 ZINC000110120670 333326453 /nfs/dbraw/zinc/32/64/53/333326453.db2.gz XQXDIKNJNLHKJF-UHFFFAOYSA-N 2 2 310.445 3.808 20 0 DHADLP CCCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCC1 ZINC000563481189 333612505 /nfs/dbraw/zinc/61/25/05/333612505.db2.gz AXHPQPUPUGPJAH-GOSISDBHSA-N 2 2 301.478 3.999 20 0 DHADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152234087 333649020 /nfs/dbraw/zinc/64/90/20/333649020.db2.gz MXFQJYIFJSATMC-QRWLVFNGSA-N 2 2 303.409 3.895 20 0 DHADLP CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000414297422 333935434 /nfs/dbraw/zinc/93/54/34/333935434.db2.gz HOKTXNQUSIEWSZ-DLBZAZTESA-N 2 2 301.478 3.855 20 0 DHADLP CC(C)[C@@H](C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000366830889 335168795 /nfs/dbraw/zinc/16/87/95/335168795.db2.gz SUQXXANWIUVQGB-LJQANCHMSA-N 2 2 320.440 3.797 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000343508716 335172935 /nfs/dbraw/zinc/17/29/35/335172935.db2.gz JJNOSINKASJYDE-DNVCBOLYSA-N 2 2 316.489 3.714 20 0 DHADLP Cc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(OC(F)F)cc1C ZINC000414826816 334109031 /nfs/dbraw/zinc/10/90/31/334109031.db2.gz GHARVMYTEWKIGW-INIZCTEOSA-N 2 2 320.383 3.694 20 0 DHADLP [NH3+]C[C@H]([NH2+]Cc1csc(Br)c1)C1CCCCC1 ZINC000414831044 334110619 /nfs/dbraw/zinc/11/06/19/334110619.db2.gz BTWOYVZPGFVVJX-LBPRGKRZSA-N 2 2 317.296 3.508 20 0 DHADLP [NH3+]C[C@H]([NH2+]Cc1nc(-c2ccccc2)cs1)C1CCCCC1 ZINC000414833416 334110846 /nfs/dbraw/zinc/11/08/46/334110846.db2.gz FOBMRAITWVPZOI-INIZCTEOSA-N 2 2 315.486 3.807 20 0 DHADLP [NH3+][C@@H](C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000414838576 334111840 /nfs/dbraw/zinc/11/18/40/334111840.db2.gz VLSDHBMACPFHPR-HNNXBMFYSA-N 2 2 312.310 3.634 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c(Br)c1 ZINC000414840869 334112693 /nfs/dbraw/zinc/11/26/93/334112693.db2.gz XJXJXDCEACFUKQ-MRXNPFEDSA-N 2 2 319.246 3.547 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)CC2CCOCC2)cc1 ZINC000414844522 334114101 /nfs/dbraw/zinc/11/41/01/334114101.db2.gz KUFAVHYGMCKEIX-BEFAXECRSA-N 2 2 304.478 3.605 20 0 DHADLP Cc1nc2ccccn2c1C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414847046 334118599 /nfs/dbraw/zinc/11/85/99/334118599.db2.gz NXRJEVUXJAYBGQ-GOSISDBHSA-N 2 2 322.456 3.556 20 0 DHADLP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414850035 334123028 /nfs/dbraw/zinc/12/30/28/334123028.db2.gz RXODURZXFYRERC-LJQANCHMSA-N 2 2 314.477 3.685 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)co2)cc1 ZINC000414852768 334126814 /nfs/dbraw/zinc/12/68/14/334126814.db2.gz ROFBPDJYDHCZEJ-SFHVURJKSA-N 2 2 313.445 3.647 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414865265 334135271 /nfs/dbraw/zinc/13/52/71/334135271.db2.gz ZGGNNMXSKNDGGP-GDBMZVCRSA-N 2 2 315.486 3.596 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414865611 334135351 /nfs/dbraw/zinc/13/53/51/334135351.db2.gz ZGGNNMXSKNDGGP-HOCLYGCPSA-N 2 2 315.486 3.596 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)s1 ZINC000156559984 334177536 /nfs/dbraw/zinc/17/75/36/334177536.db2.gz KMTISWSZHLCGOY-GARJFASQSA-N 2 2 317.296 3.644 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)s1 ZINC000156559984 334177538 /nfs/dbraw/zinc/17/75/38/334177538.db2.gz KMTISWSZHLCGOY-GARJFASQSA-N 2 2 317.296 3.644 20 0 DHADLP Cc1ccc(-c2ncc(C[N@H+](C)CCC[NH+]3CCCC3)s2)o1 ZINC000343596752 335180594 /nfs/dbraw/zinc/18/05/94/335180594.db2.gz CTUKXBSUEPKDJV-UHFFFAOYSA-N 2 2 319.474 3.629 20 0 DHADLP Cc1ccc(-c2ncc(C[N@@H+](C)CCC[NH+]3CCCC3)s2)o1 ZINC000343596752 335180596 /nfs/dbraw/zinc/18/05/96/335180596.db2.gz CTUKXBSUEPKDJV-UHFFFAOYSA-N 2 2 319.474 3.629 20 0 DHADLP FC(F)(F)C1CCC([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000414963267 334213629 /nfs/dbraw/zinc/21/36/29/334213629.db2.gz WZGAJEGENKZPGC-XUJLQICISA-N 2 2 312.379 3.584 20 0 DHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 ZINC000415081792 334273008 /nfs/dbraw/zinc/27/30/08/334273008.db2.gz NLSUCWSFCHEMPG-QMTHXVAHSA-N 2 2 321.877 3.784 20 0 DHADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000415012734 334258217 /nfs/dbraw/zinc/25/82/17/334258217.db2.gz JUJQGGUQBKVGCG-YUMQZZPRSA-N 2 2 314.273 3.550 20 0 DHADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000415012733 334258271 /nfs/dbraw/zinc/25/82/71/334258271.db2.gz JUJQGGUQBKVGCG-SFYZADRCSA-N 2 2 314.273 3.550 20 0 DHADLP FC(F)(F)c1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415054025 334261820 /nfs/dbraw/zinc/26/18/20/334261820.db2.gz PJNMWPHHRIDJEU-DLBZAZTESA-N 2 2 320.358 3.551 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CCc1ccsc1 ZINC000415064713 334262346 /nfs/dbraw/zinc/26/23/46/334262346.db2.gz LGZFDKWTCSNUQC-KSSFIOAISA-N 2 2 302.487 3.921 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C/C=C/c1ccccc1OC ZINC000415070342 334262728 /nfs/dbraw/zinc/26/27/28/334262728.db2.gz URTHMLHMJAKKAH-UFUQCMIWSA-N 2 2 310.441 3.560 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000415067492 334262737 /nfs/dbraw/zinc/26/27/37/334262737.db2.gz PPJASQSIYFNOQY-KRWDZBQOSA-N 2 2 320.383 3.640 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccccc1OC(F)F ZINC000415070382 334262777 /nfs/dbraw/zinc/26/27/77/334262777.db2.gz UVRSCHDHWHJSOT-INIZCTEOSA-N 2 2 320.383 3.640 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000415067466 334262825 /nfs/dbraw/zinc/26/28/25/334262825.db2.gz PLQMZFYAOAZHTB-LJQANCHMSA-N 2 2 316.489 3.578 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415075796 334266878 /nfs/dbraw/zinc/26/68/78/334266878.db2.gz AHWWWLITJXTAIY-IEZWGBDMSA-N 2 2 310.441 3.839 20 0 DHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415080010 334269537 /nfs/dbraw/zinc/26/95/37/334269537.db2.gz KUFOJCGSDARMMF-XJKSGUPXSA-N 2 2 315.486 3.830 20 0 DHADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000415077823 334270148 /nfs/dbraw/zinc/27/01/48/334270148.db2.gz FNLUSCIRSSIFQW-MNOVXSKESA-N 2 2 321.412 3.562 20 0 DHADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000534525105 334278684 /nfs/dbraw/zinc/27/86/84/334278684.db2.gz SNAWRXDJHWABHQ-TVADFSRQSA-N 2 2 308.469 3.852 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415105448 334283109 /nfs/dbraw/zinc/28/31/09/334283109.db2.gz MGJNUSRJPRMZTM-NUEKZKHPSA-N 2 2 301.459 3.595 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000531932687 334296867 /nfs/dbraw/zinc/29/68/67/334296867.db2.gz YKALLBNHAJYARF-ABAIWWIYSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000531932687 334296868 /nfs/dbraw/zinc/29/68/68/334296868.db2.gz YKALLBNHAJYARF-ABAIWWIYSA-N 2 2 301.261 3.813 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000531938637 334299539 /nfs/dbraw/zinc/29/95/39/334299539.db2.gz IBTJMWCIMKVBMO-AWEZNQCLSA-N 2 2 323.387 3.924 20 0 DHADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccc(F)cc1)[NH+](C)C ZINC000443009362 338441856 /nfs/dbraw/zinc/44/18/56/338441856.db2.gz YENKDZNOONCHCU-DNVCBOLYSA-N 2 2 300.421 3.915 20 0 DHADLP c1ccc(NC2CC[NH+](Cc3cccc4cccnc43)CC2)[nH+]c1 ZINC000534860992 334341595 /nfs/dbraw/zinc/34/15/95/334341595.db2.gz NXUAAIFKWZXZLU-UHFFFAOYSA-N 2 2 318.424 3.706 20 0 DHADLP c1ccc(NC2CC[NH+](Cc3nc4ccccc4s3)CC2)[nH+]c1 ZINC000534863168 334341986 /nfs/dbraw/zinc/34/19/86/334341986.db2.gz ACWHJKUHOANLSI-UHFFFAOYSA-N 2 2 324.453 3.768 20 0 DHADLP COc1ccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000341659112 334469897 /nfs/dbraw/zinc/46/98/97/334469897.db2.gz PEPJKGORWRDDEN-UHFFFAOYSA-N 2 2 319.408 3.660 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c[nH+]1 ZINC000343150711 334603857 /nfs/dbraw/zinc/60/38/57/334603857.db2.gz FDSOBZCBTDDGKL-SFTDATJTSA-N 2 2 317.436 3.825 20 0 DHADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000188983067 334880102 /nfs/dbraw/zinc/88/01/02/334880102.db2.gz KPYHJUCDCUACKW-UHFFFAOYSA-N 2 2 317.742 3.735 20 0 DHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(Cl)cc2F)ccc1F ZINC000189343169 334892053 /nfs/dbraw/zinc/89/20/53/334892053.db2.gz DBEFWASLUGEXQJ-UHFFFAOYSA-N 2 2 324.802 3.970 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000343271941 334896232 /nfs/dbraw/zinc/89/62/32/334896232.db2.gz JGPYMZARJADRCB-INIZCTEOSA-N 2 2 321.424 3.737 20 0 DHADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000344316419 335240349 /nfs/dbraw/zinc/24/03/49/335240349.db2.gz ZUYUGIZIOLMCHU-XLIONFOSSA-N 2 2 316.489 3.618 20 0 DHADLP CCCOc1cccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000344512029 335257883 /nfs/dbraw/zinc/25/78/83/335257883.db2.gz JUKORPMIHQQORH-KRWDZBQOSA-N 2 2 313.445 3.648 20 0 DHADLP CCCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344724471 335271463 /nfs/dbraw/zinc/27/14/63/335271463.db2.gz QUXYXUWYEGIZKX-CQSZACIVSA-N 2 2 314.433 3.526 20 0 DHADLP CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344724471 335271465 /nfs/dbraw/zinc/27/14/65/335271465.db2.gz QUXYXUWYEGIZKX-CQSZACIVSA-N 2 2 314.433 3.526 20 0 DHADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000344739181 335272376 /nfs/dbraw/zinc/27/23/76/335272376.db2.gz FEIIXVZBTUKKKQ-DBXWQHBBSA-N 2 2 323.484 3.513 20 0 DHADLP C[C@H](Cc1ccncc1)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000344739181 335272378 /nfs/dbraw/zinc/27/23/78/335272378.db2.gz FEIIXVZBTUKKKQ-DBXWQHBBSA-N 2 2 323.484 3.513 20 0 DHADLP Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000344843939 335279362 /nfs/dbraw/zinc/27/93/62/335279362.db2.gz XWXOSCQGTKKZTF-LJQANCHMSA-N 2 2 309.413 3.932 20 0 DHADLP C[C@@H]1CCC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000344909182 335284855 /nfs/dbraw/zinc/28/48/55/335284855.db2.gz ZRXRIJVYYKVDLF-HZPDHXFCSA-N 2 2 316.493 3.603 20 0 DHADLP CCCC[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CC1 ZINC000346174412 335377753 /nfs/dbraw/zinc/37/77/53/335377753.db2.gz MGJBEXKACVCLNC-UHFFFAOYSA-N 2 2 307.507 3.674 20 0 DHADLP CCCC[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CC1 ZINC000346174412 335377754 /nfs/dbraw/zinc/37/77/54/335377754.db2.gz MGJBEXKACVCLNC-UHFFFAOYSA-N 2 2 307.507 3.674 20 0 DHADLP CCCC[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CC1 ZINC000346174412 335377756 /nfs/dbraw/zinc/37/77/56/335377756.db2.gz MGJBEXKACVCLNC-UHFFFAOYSA-N 2 2 307.507 3.674 20 0 DHADLP CCCC[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C1CC1 ZINC000346174412 335377758 /nfs/dbraw/zinc/37/77/58/335377758.db2.gz MGJBEXKACVCLNC-UHFFFAOYSA-N 2 2 307.507 3.674 20 0 DHADLP CCC1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000346151982 335382420 /nfs/dbraw/zinc/38/24/20/335382420.db2.gz OEDQTSSPKLOYCK-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CCC1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000346151982 335382422 /nfs/dbraw/zinc/38/24/22/335382422.db2.gz OEDQTSSPKLOYCK-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc2cccnc12 ZINC000346185695 335383659 /nfs/dbraw/zinc/38/36/59/335383659.db2.gz VMGCBGKIJCCVDG-KRWDZBQOSA-N 2 2 306.413 3.646 20 0 DHADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc2cccnc12 ZINC000346185695 335383660 /nfs/dbraw/zinc/38/36/60/335383660.db2.gz VMGCBGKIJCCVDG-KRWDZBQOSA-N 2 2 306.413 3.646 20 0 DHADLP C[N@H+](CCc1ccc(F)cc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346169372 335384742 /nfs/dbraw/zinc/38/47/42/335384742.db2.gz JGBPTWHGVVTOKC-UHFFFAOYSA-N 2 2 315.417 3.747 20 0 DHADLP C[N@@H+](CCc1ccc(F)cc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346169372 335384743 /nfs/dbraw/zinc/38/47/43/335384743.db2.gz JGBPTWHGVVTOKC-UHFFFAOYSA-N 2 2 315.417 3.747 20 0 DHADLP Fc1ccc2oc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2c1 ZINC000347034060 335464976 /nfs/dbraw/zinc/46/49/76/335464976.db2.gz BVLFCMAFXSUYKM-UHFFFAOYSA-N 2 2 302.393 3.536 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000347875411 335536412 /nfs/dbraw/zinc/53/64/12/335536412.db2.gz IPQNYHBRRKXWRL-GOSISDBHSA-N 2 2 314.404 3.965 20 0 DHADLP COCCCC[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccccc1 ZINC000348306433 335574631 /nfs/dbraw/zinc/57/46/31/335574631.db2.gz LXOKTHTXCMMDBN-LJQANCHMSA-N 2 2 304.478 3.620 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000519774738 335895700 /nfs/dbraw/zinc/89/57/00/335895700.db2.gz MOUIQIWOTYCPHH-ZWKOTPCHSA-N 2 2 303.494 3.503 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000351847543 336073391 /nfs/dbraw/zinc/07/33/91/336073391.db2.gz AILITVAHJMHXNN-XJKSGUPXSA-N 2 2 315.486 3.542 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000351847543 336073393 /nfs/dbraw/zinc/07/33/93/336073393.db2.gz AILITVAHJMHXNN-XJKSGUPXSA-N 2 2 315.486 3.542 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]C[C@H]2C[C@H]2c2ccccc2)c[nH+]1 ZINC000351905836 336122422 /nfs/dbraw/zinc/12/24/22/336122422.db2.gz JKRPNTNQUZCLRA-MOPGFXCFSA-N 2 2 303.409 3.766 20 0 DHADLP CCSc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000351996950 336187259 /nfs/dbraw/zinc/18/72/59/336187259.db2.gz RLKXXSYZWPFCME-KRWDZBQOSA-N 2 2 314.454 3.847 20 0 DHADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000352240229 336205736 /nfs/dbraw/zinc/20/57/36/336205736.db2.gz FMFPKJYRBYALSW-FUHWJXTLSA-N 2 2 313.445 3.755 20 0 DHADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000352240229 336205737 /nfs/dbraw/zinc/20/57/37/336205737.db2.gz FMFPKJYRBYALSW-FUHWJXTLSA-N 2 2 313.445 3.755 20 0 DHADLP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(C)cc1 ZINC000352243086 336206060 /nfs/dbraw/zinc/20/60/60/336206060.db2.gz WULBPXFVVNEYJW-MRXNPFEDSA-N 2 2 303.475 3.754 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352243081 336206112 /nfs/dbraw/zinc/20/61/12/336206112.db2.gz WRXYSUNUIVAVSA-QGZVFWFLSA-N 2 2 303.475 3.692 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2cccs2)n1 ZINC000352512344 336222488 /nfs/dbraw/zinc/22/24/88/336222488.db2.gz WUZRRTDAYITUSE-ZDUSSCGKSA-N 2 2 307.488 3.575 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(-c2cccs2)n1 ZINC000352512344 336222489 /nfs/dbraw/zinc/22/24/89/336222489.db2.gz WUZRRTDAYITUSE-ZDUSSCGKSA-N 2 2 307.488 3.575 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000352533930 336222985 /nfs/dbraw/zinc/22/29/85/336222985.db2.gz BFEFWALDBYLECH-HNNXBMFYSA-N 2 2 301.459 3.513 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000352533930 336222986 /nfs/dbraw/zinc/22/29/86/336222986.db2.gz BFEFWALDBYLECH-HNNXBMFYSA-N 2 2 301.459 3.513 20 0 DHADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352807071 336242849 /nfs/dbraw/zinc/24/28/49/336242849.db2.gz TZKRUYYEJYTELV-AYOQOUSVSA-N 2 2 316.489 3.855 20 0 DHADLP COc1ccccc1[C@H](CC(C)C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352807071 336242850 /nfs/dbraw/zinc/24/28/50/336242850.db2.gz TZKRUYYEJYTELV-AYOQOUSVSA-N 2 2 316.489 3.855 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000532463459 336249075 /nfs/dbraw/zinc/24/90/75/336249075.db2.gz WTZKGRNQMQQPLK-NHYWBVRUSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000532463459 336249076 /nfs/dbraw/zinc/24/90/76/336249076.db2.gz WTZKGRNQMQQPLK-NHYWBVRUSA-N 2 2 301.261 3.813 20 0 DHADLP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000532475886 336251127 /nfs/dbraw/zinc/25/11/27/336251127.db2.gz NFNYBXGNTUJLKO-APWZRJJASA-N 2 2 304.453 3.958 20 0 DHADLP CC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000532475888 336251167 /nfs/dbraw/zinc/25/11/67/336251167.db2.gz NFNYBXGNTUJLKO-QFBILLFUSA-N 2 2 304.453 3.958 20 0 DHADLP CCc1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cn1 ZINC000352825595 336261071 /nfs/dbraw/zinc/26/10/71/336261071.db2.gz SQZMCDJSQNZAHA-NRFANRHFSA-N 2 2 323.484 3.879 20 0 DHADLP COc1cccc2c(NC[C@@H]3CC[N@@H+](C(C)C)C3)c(C)c[nH+]c12 ZINC000527044930 336280516 /nfs/dbraw/zinc/28/05/16/336280516.db2.gz PSKAANKYBOPJIJ-HNNXBMFYSA-N 2 2 313.445 3.694 20 0 DHADLP COc1cccc2c(NC[C@@H]3CC[N@H+](C(C)C)C3)c(C)c[nH+]c12 ZINC000527044930 336280517 /nfs/dbraw/zinc/28/05/17/336280517.db2.gz PSKAANKYBOPJIJ-HNNXBMFYSA-N 2 2 313.445 3.694 20 0 DHADLP c1coc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCCCC2)c1 ZINC000301090804 336289507 /nfs/dbraw/zinc/28/95/07/336289507.db2.gz SPMDPCKAVFRSDP-INIZCTEOSA-N 2 2 310.401 3.795 20 0 DHADLP C[C@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000301559339 336314917 /nfs/dbraw/zinc/31/49/17/336314917.db2.gz UDCHXCHGPIDMNT-MAUKXSAKSA-N 2 2 322.456 3.819 20 0 DHADLP Cc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2ccccc2[nH+]1 ZINC000301664167 336321742 /nfs/dbraw/zinc/32/17/42/336321742.db2.gz ZAPNPTQVDINUGW-IFXJQAMLSA-N 2 2 306.413 3.827 20 0 DHADLP Cc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc2[nH+]1 ZINC000301664169 336321761 /nfs/dbraw/zinc/32/17/61/336321761.db2.gz ZAPNPTQVDINUGW-KUHUBIRLSA-N 2 2 306.413 3.827 20 0 DHADLP CC[NH+](CC)[C@@H](CNc1nc(C)[nH+]c(C)c1C)c1ccsc1 ZINC000301670942 336322323 /nfs/dbraw/zinc/32/23/23/336322323.db2.gz FGMVHYDXEMRHQZ-INIZCTEOSA-N 2 2 318.490 3.958 20 0 DHADLP CCC[NH+]1CCC(Nc2cc(C)[nH+]c3c(F)cccc23)CC1 ZINC000301680085 336323033 /nfs/dbraw/zinc/32/30/33/336323033.db2.gz RNSWFPOPRBKUCR-UHFFFAOYSA-N 2 2 301.409 3.969 20 0 DHADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301695620 336323974 /nfs/dbraw/zinc/32/39/74/336323974.db2.gz ZUKQOXFUCQNEPU-LIRRHRJNSA-N 2 2 324.472 3.867 20 0 DHADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301695620 336323975 /nfs/dbraw/zinc/32/39/75/336323975.db2.gz ZUKQOXFUCQNEPU-LIRRHRJNSA-N 2 2 324.472 3.867 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301787728 336329761 /nfs/dbraw/zinc/32/97/61/336329761.db2.gz PLBJCJZKQCXBSZ-FXAWDEMLSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301787728 336329762 /nfs/dbraw/zinc/32/97/62/336329762.db2.gz PLBJCJZKQCXBSZ-FXAWDEMLSA-N 2 2 321.468 3.996 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000301883434 336336048 /nfs/dbraw/zinc/33/60/48/336336048.db2.gz JAFKOXZLYNMCCR-MRXNPFEDSA-N 2 2 320.440 3.664 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000301883434 336336049 /nfs/dbraw/zinc/33/60/49/336336049.db2.gz JAFKOXZLYNMCCR-MRXNPFEDSA-N 2 2 320.440 3.664 20 0 DHADLP CCc1c(C)[nH+]c2ccccc2c1N(C)CCCn1cc[nH+]c1 ZINC000301982206 336341194 /nfs/dbraw/zinc/34/11/94/336341194.db2.gz AIOPJKSQLNEVQM-UHFFFAOYSA-N 2 2 308.429 3.829 20 0 DHADLP Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c2c([nH+]1)CCCC2 ZINC000302102940 336348619 /nfs/dbraw/zinc/34/86/19/336348619.db2.gz QQKGEEWMWNQTAB-RBUKOAKNSA-N 2 2 322.456 3.521 20 0 DHADLP Cc1ccc2[nH+]ccc(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000302225989 336354917 /nfs/dbraw/zinc/35/49/17/336354917.db2.gz PCZZWFKHZAJAQD-HNAYVOBHSA-N 2 2 306.413 3.827 20 0 DHADLP COc1cccc2c(N[C@H](C)C(C)(C)C[NH+](C)C)cc[nH+]c12 ZINC000302547434 336361339 /nfs/dbraw/zinc/36/13/39/336361339.db2.gz PJKZNWBIKKKLJU-CYBMUJFWSA-N 2 2 301.434 3.632 20 0 DHADLP Cc1sccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000353006880 336381811 /nfs/dbraw/zinc/38/18/11/336381811.db2.gz ILRGEWWZDYRAOW-ZWKOTPCHSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1sccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000353006880 336381812 /nfs/dbraw/zinc/38/18/12/336381812.db2.gz ILRGEWWZDYRAOW-ZWKOTPCHSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1sccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000353006880 336381813 /nfs/dbraw/zinc/38/18/13/336381813.db2.gz ILRGEWWZDYRAOW-ZWKOTPCHSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1sccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000353006880 336381814 /nfs/dbraw/zinc/38/18/14/336381814.db2.gz ILRGEWWZDYRAOW-ZWKOTPCHSA-N 2 2 315.486 3.576 20 0 DHADLP Clc1ccc(/C=C\C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000582259620 336396774 /nfs/dbraw/zinc/39/67/74/336396774.db2.gz VYMOYBWCNJUPTR-QFRLHKFZSA-N 2 2 314.816 3.902 20 0 DHADLP Clc1ccc(/C=C\C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000582259620 336396775 /nfs/dbraw/zinc/39/67/75/336396775.db2.gz VYMOYBWCNJUPTR-QFRLHKFZSA-N 2 2 314.816 3.902 20 0 DHADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000193122540 336401812 /nfs/dbraw/zinc/40/18/12/336401812.db2.gz WQRBXNBRJBHEDK-WMZOPIPTSA-N 2 2 311.473 3.888 20 0 DHADLP COc1ccc(F)cc1[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000353923806 336448781 /nfs/dbraw/zinc/44/87/81/336448781.db2.gz AUAFGTWDJFPZDT-AWEZNQCLSA-N 2 2 302.393 3.821 20 0 DHADLP Cc1ccc([C@@H](C[NH2+]CCCc2ccc(C)[nH+]c2)N(C)C)cc1 ZINC000354124275 336460706 /nfs/dbraw/zinc/46/07/06/336460706.db2.gz IYVKFGDMDKNCDY-HXUWFJFHSA-N 2 2 311.473 3.524 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2cccc(Br)c2)c[nH+]1 ZINC000354190641 336462891 /nfs/dbraw/zinc/46/28/91/336462891.db2.gz ORSVWSXUKHMARM-UHFFFAOYSA-N 2 2 319.246 3.875 20 0 DHADLP COc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1Cl ZINC000354414421 336469911 /nfs/dbraw/zinc/46/99/11/336469911.db2.gz NPPUFRGCQDWWHD-UHFFFAOYSA-N 2 2 304.821 3.774 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2ncoc2-c2ccccc2)c[nH+]1 ZINC000354426644 336470540 /nfs/dbraw/zinc/47/05/40/336470540.db2.gz VEUNGUNVKHNHJV-UHFFFAOYSA-N 2 2 307.397 3.767 20 0 DHADLP COC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1ccc(F)c(F)c1 ZINC000354586825 336475861 /nfs/dbraw/zinc/47/58/61/336475861.db2.gz QJZGGJUIKPPZHY-GOSISDBHSA-N 2 2 320.383 3.578 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)CCC2 ZINC000367178941 336478569 /nfs/dbraw/zinc/47/85/69/336478569.db2.gz CRMYCAGRYFNSCJ-YSHGAJCASA-N 2 2 309.457 3.851 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c[nH+]1 ZINC000355165118 336497008 /nfs/dbraw/zinc/49/70/08/336497008.db2.gz ZLUDUBCGFHRTDA-FQEVSTJZSA-N 2 2 323.484 3.829 20 0 DHADLP CC(C)(CNc1[nH+]ccc2ccc(F)cc21)C[NH+]1CCCC1 ZINC000357941957 336603933 /nfs/dbraw/zinc/60/39/33/336603933.db2.gz JEXBFOKKEQJVNW-UHFFFAOYSA-N 2 2 301.409 3.908 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+]CCC3CCCCC3)CC2)nc1 ZINC000358010455 336605889 /nfs/dbraw/zinc/60/58/89/336605889.db2.gz XRJPIHYSIUIFDK-UHFFFAOYSA-N 2 2 301.478 3.606 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(-c2cc[nH]n2)cc1 ZINC000367316498 336636525 /nfs/dbraw/zinc/63/65/25/336636525.db2.gz DIKAWJBYODUZEC-UHFFFAOYSA-N 2 2 306.413 3.503 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCc2cnn(C(C)C)c21 ZINC000367361900 336691442 /nfs/dbraw/zinc/69/14/42/336691442.db2.gz SUHKCHXTBIHPPS-SFHVURJKSA-N 2 2 312.461 3.767 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1F)CCC2 ZINC000359951781 336695043 /nfs/dbraw/zinc/69/50/43/336695043.db2.gz DRAOOQMTOVASQD-CHWSQXEVSA-N 2 2 305.372 3.698 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)[C@H]1C ZINC000360873504 336725107 /nfs/dbraw/zinc/72/51/07/336725107.db2.gz PZPFSFZDOURDMM-ZIFCJYIRSA-N 2 2 315.505 3.708 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC(C(F)(F)F)CC1)CCC2 ZINC000361898105 336777373 /nfs/dbraw/zinc/77/73/73/336777373.db2.gz ZQIUVUZHDDXUSN-HSBZDZAISA-N 2 2 315.383 3.780 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000368014194 336834631 /nfs/dbraw/zinc/83/46/31/336834631.db2.gz FAWQICMQOQTPHX-KRWDZBQOSA-N 2 2 320.440 3.859 20 0 DHADLP Cc1ncccc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000368143383 336839464 /nfs/dbraw/zinc/83/94/64/336839464.db2.gz RVCVNZNBHJEYTG-PMACEKPBSA-N 2 2 318.424 3.605 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccccc1OC(C)C)CCC2 ZINC000368696205 336851080 /nfs/dbraw/zinc/85/10/80/336851080.db2.gz WVAJJNFYMUGRBW-QGZVFWFLSA-N 2 2 313.445 3.646 20 0 DHADLP Cn1cc[nH+]c1-c1cccc(C[NH2+]Cc2c(F)cccc2F)c1 ZINC000371389805 336902169 /nfs/dbraw/zinc/90/21/69/336902169.db2.gz SUKOLQBISGBWBR-UHFFFAOYSA-N 2 2 313.351 3.655 20 0 DHADLP CC[C@@H](C)[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373482332 336961777 /nfs/dbraw/zinc/96/17/77/336961777.db2.gz GNAOKCYDESKWMM-RMNLLRHXSA-N 2 2 306.416 3.816 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)c[nH+]c12 ZINC000374474673 336990067 /nfs/dbraw/zinc/99/00/67/336990067.db2.gz XTJHJBUKWCXNKB-PKOBYXMFSA-N 2 2 321.424 3.510 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)no1 ZINC000375071549 337002578 /nfs/dbraw/zinc/00/25/78/337002578.db2.gz PEVSZRKIOKQMJA-VQIMIIECSA-N 2 2 313.445 3.546 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000375071549 337002579 /nfs/dbraw/zinc/00/25/79/337002579.db2.gz PEVSZRKIOKQMJA-VQIMIIECSA-N 2 2 313.445 3.546 20 0 DHADLP COCCC1(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000375351147 337008921 /nfs/dbraw/zinc/00/89/21/337008921.db2.gz AXPFLMGCKTVVHE-SFHVURJKSA-N 2 2 308.510 3.534 20 0 DHADLP COCCC1(C[N@H+]2CCC[C@H]([NH+]3CCCC3)C2)CCCCC1 ZINC000375351147 337008922 /nfs/dbraw/zinc/00/89/22/337008922.db2.gz AXPFLMGCKTVVHE-SFHVURJKSA-N 2 2 308.510 3.534 20 0 DHADLP CC(C)C[C@H](C)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375625455 337015088 /nfs/dbraw/zinc/01/50/88/337015088.db2.gz ODMAWTWJZGGRSN-SFHVURJKSA-N 2 2 317.521 3.703 20 0 DHADLP CC(C)C[C@H](C)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375625455 337015089 /nfs/dbraw/zinc/01/50/89/337015089.db2.gz ODMAWTWJZGGRSN-SFHVURJKSA-N 2 2 317.521 3.703 20 0 DHADLP c1cn(CC[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c[nH+]1 ZINC000375700977 337017147 /nfs/dbraw/zinc/01/71/47/337017147.db2.gz LBKDEHKFTGLIHF-SFHVURJKSA-N 2 2 321.428 3.500 20 0 DHADLP c1cn(CC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c[nH+]1 ZINC000375700977 337017148 /nfs/dbraw/zinc/01/71/48/337017148.db2.gz LBKDEHKFTGLIHF-SFHVURJKSA-N 2 2 321.428 3.500 20 0 DHADLP COc1cc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)ccc1C ZINC000375717902 337017588 /nfs/dbraw/zinc/01/75/88/337017588.db2.gz IOXQSZHFOCOXPY-UHFFFAOYSA-N 2 2 302.462 3.500 20 0 DHADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CCCS2)CC1 ZINC000168674786 337022859 /nfs/dbraw/zinc/02/28/59/337022859.db2.gz CGLCIBAHVJRPEC-INIZCTEOSA-N 2 2 324.921 3.790 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)n1 ZINC000376402901 337032679 /nfs/dbraw/zinc/03/26/79/337032679.db2.gz WMZNFRCPGRTRLY-SFHVURJKSA-N 2 2 324.472 3.611 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)n1 ZINC000376402901 337032680 /nfs/dbraw/zinc/03/26/80/337032680.db2.gz WMZNFRCPGRTRLY-SFHVURJKSA-N 2 2 324.472 3.611 20 0 DHADLP c1csc(-c2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000376493754 337034933 /nfs/dbraw/zinc/03/49/33/337034933.db2.gz XBXLZYHTFGLJAJ-TZMCWYRMSA-N 2 2 319.499 3.588 20 0 DHADLP c1csc(-c2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000376493754 337034934 /nfs/dbraw/zinc/03/49/34/337034934.db2.gz XBXLZYHTFGLJAJ-TZMCWYRMSA-N 2 2 319.499 3.588 20 0 DHADLP FC(F)(F)c1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376725802 337040017 /nfs/dbraw/zinc/04/00/17/337040017.db2.gz ITCOSJOTENNKRK-UHFFFAOYSA-N 2 2 309.335 3.528 20 0 DHADLP Fc1cccc(C[NH+]2CCC([NH2+]C[C@H]3CCCSC3)CC2)c1 ZINC000376831194 337042300 /nfs/dbraw/zinc/04/23/00/337042300.db2.gz QJUXZKXDCWXDJN-MRXNPFEDSA-N 2 2 322.493 3.523 20 0 DHADLP C[N@H+]([C@@H]1CCc2ccccc21)C1CCN(c2cccc[nH+]2)CC1 ZINC000377654351 337057729 /nfs/dbraw/zinc/05/77/29/337057729.db2.gz TYZYARFZVGNXPR-LJQANCHMSA-N 2 2 307.441 3.670 20 0 DHADLP C[N@@H+]([C@@H]1CCc2ccccc21)C1CCN(c2cccc[nH+]2)CC1 ZINC000377654351 337057730 /nfs/dbraw/zinc/05/77/30/337057730.db2.gz TYZYARFZVGNXPR-LJQANCHMSA-N 2 2 307.441 3.670 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccncc2)cc1F ZINC000377676637 337058128 /nfs/dbraw/zinc/05/81/28/337058128.db2.gz MHHPRDQFDVOFAB-UHFFFAOYSA-N 2 2 324.403 3.606 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2ccncc2)cc1F ZINC000377676637 337058129 /nfs/dbraw/zinc/05/81/29/337058129.db2.gz MHHPRDQFDVOFAB-UHFFFAOYSA-N 2 2 324.403 3.606 20 0 DHADLP CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377735695 337059820 /nfs/dbraw/zinc/05/98/20/337059820.db2.gz CIOSLIHDDUVQGF-CHWSQXEVSA-N 2 2 301.459 3.730 20 0 DHADLP CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377735695 337059821 /nfs/dbraw/zinc/05/98/21/337059821.db2.gz CIOSLIHDDUVQGF-CHWSQXEVSA-N 2 2 301.459 3.730 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cccs3)[C@@H](C)C2)s1 ZINC000377790849 337061177 /nfs/dbraw/zinc/06/11/77/337061177.db2.gz KNCARQMAEYEYOW-LRDDRELGSA-N 2 2 321.515 3.513 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cccs3)[C@@H](C)C2)s1 ZINC000377790849 337061178 /nfs/dbraw/zinc/06/11/78/337061178.db2.gz KNCARQMAEYEYOW-LRDDRELGSA-N 2 2 321.515 3.513 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CC3CCCCC3)[C@@H](C)C2)s1 ZINC000378243576 337068652 /nfs/dbraw/zinc/06/86/52/337068652.db2.gz NJTQIHRURGYBHL-KBXCAEBGSA-N 2 2 321.534 3.832 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CC3CCCCC3)[C@@H](C)C2)s1 ZINC000378243576 337068653 /nfs/dbraw/zinc/06/86/53/337068653.db2.gz NJTQIHRURGYBHL-KBXCAEBGSA-N 2 2 321.534 3.832 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)[C@H](C)C2 ZINC000378490675 337074247 /nfs/dbraw/zinc/07/42/47/337074247.db2.gz CUHYNFOEKOIXEW-FOIQADDNSA-N 2 2 309.457 3.593 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](c1ccc(F)c(F)c1)C(C)C)C2 ZINC000378609844 337076648 /nfs/dbraw/zinc/07/66/48/337076648.db2.gz LAKDIIPICULCHK-KSSFIOAISA-N 2 2 319.399 3.771 20 0 DHADLP Cn1cc[nH+]c1-c1cccc(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000360059680 337084728 /nfs/dbraw/zinc/08/47/28/337084728.db2.gz OPIWTJVGLYKONC-UHFFFAOYSA-N 2 2 313.351 3.655 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(O)c1 ZINC000171766027 337089200 /nfs/dbraw/zinc/08/92/00/337089200.db2.gz SEJZVUDKHPCDDQ-CYBMUJFWSA-N 2 2 311.360 3.568 20 0 DHADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000582644617 337119943 /nfs/dbraw/zinc/11/99/43/337119943.db2.gz LQXATVFPHNHDAX-VQTJNVASSA-N 2 2 324.468 3.965 20 0 DHADLP C[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000177906887 337158997 /nfs/dbraw/zinc/15/89/97/337158997.db2.gz PLGAGLGNTNDMAJ-ZFWWWQNUSA-N 2 2 312.442 3.576 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C[C@@H]1n1cc[nH+]c1 ZINC000177906887 337158998 /nfs/dbraw/zinc/15/89/98/337158998.db2.gz PLGAGLGNTNDMAJ-ZFWWWQNUSA-N 2 2 312.442 3.576 20 0 DHADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000177932687 337159199 /nfs/dbraw/zinc/15/91/99/337159199.db2.gz DJLHEPFWLZKILN-HXUWFJFHSA-N 2 2 321.399 3.848 20 0 DHADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000178186117 337161266 /nfs/dbraw/zinc/16/12/66/337161266.db2.gz ZLPHXTGJHDVQKT-GJZGRUSLSA-N 2 2 315.486 3.803 20 0 DHADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000178186117 337161267 /nfs/dbraw/zinc/16/12/67/337161267.db2.gz ZLPHXTGJHDVQKT-GJZGRUSLSA-N 2 2 315.486 3.803 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000180402620 337174257 /nfs/dbraw/zinc/17/42/57/337174257.db2.gz MBBPEWKBCJDNBN-ZDUSSCGKSA-N 2 2 307.507 3.545 20 0 DHADLP ClC(Cl)(Cl)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000184567661 337198553 /nfs/dbraw/zinc/19/85/53/337198553.db2.gz HDZAKOYCLXMDIA-GFCCVEGCSA-N 2 2 313.700 3.697 20 0 DHADLP ClC(Cl)(Cl)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000184567661 337198554 /nfs/dbraw/zinc/19/85/54/337198554.db2.gz HDZAKOYCLXMDIA-GFCCVEGCSA-N 2 2 313.700 3.697 20 0 DHADLP CCn1c2ccc(C)cc2[nH+]c1NCc1cccc2[nH+]ccn21 ZINC000185749457 337251097 /nfs/dbraw/zinc/25/10/97/337251097.db2.gz PXRWLASRUYCYEG-UHFFFAOYSA-N 2 2 305.385 3.624 20 0 DHADLP CCSc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000186200211 337254426 /nfs/dbraw/zinc/25/44/26/337254426.db2.gz KYRFKFAKXMQSQA-UHFFFAOYSA-N 2 2 301.459 3.832 20 0 DHADLP COc1ccc(C(C)(C)C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000583231505 337281129 /nfs/dbraw/zinc/28/11/29/337281129.db2.gz MEJKVMSKVDSQRC-UHFFFAOYSA-N 2 2 312.457 3.899 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCCc3occc32)[nH+]1 ZINC000190932424 337291427 /nfs/dbraw/zinc/29/14/27/337291427.db2.gz DDTZXZQYFBICRX-SFHVURJKSA-N 2 2 321.424 3.734 20 0 DHADLP CSC[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192077710 337302377 /nfs/dbraw/zinc/30/23/77/337302377.db2.gz YOOVYMFBNCCQET-QGZVFWFLSA-N 2 2 301.459 3.508 20 0 DHADLP CSC[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192077710 337302378 /nfs/dbraw/zinc/30/23/78/337302378.db2.gz YOOVYMFBNCCQET-QGZVFWFLSA-N 2 2 301.459 3.508 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000398071483 337304243 /nfs/dbraw/zinc/30/42/43/337304243.db2.gz ZADGAOSQDGFTPX-OXQOHEQNSA-N 2 2 312.457 3.842 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000398071483 337304244 /nfs/dbraw/zinc/30/42/44/337304244.db2.gz ZADGAOSQDGFTPX-OXQOHEQNSA-N 2 2 312.457 3.842 20 0 DHADLP CC[N@H+](CC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000584437073 337325056 /nfs/dbraw/zinc/32/50/56/337325056.db2.gz QEIMHEMZIGTQGD-CYBMUJFWSA-N 2 2 314.395 3.883 20 0 DHADLP CC[N@@H+](CC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000584437073 337325057 /nfs/dbraw/zinc/32/50/57/337325057.db2.gz QEIMHEMZIGTQGD-CYBMUJFWSA-N 2 2 314.395 3.883 20 0 DHADLP COCc1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000309914096 337388310 /nfs/dbraw/zinc/38/83/10/337388310.db2.gz NNAKHSBTNSWELK-OAQYLSRUSA-N 2 2 324.468 3.587 20 0 DHADLP COCc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000309914096 337388311 /nfs/dbraw/zinc/38/83/11/337388311.db2.gz NNAKHSBTNSWELK-OAQYLSRUSA-N 2 2 324.468 3.587 20 0 DHADLP C[C@]1(C[NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)CCCS1 ZINC000120392644 337395766 /nfs/dbraw/zinc/39/57/66/337395766.db2.gz XVDAWHOQFPRCBI-GOSISDBHSA-N 2 2 322.493 3.665 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cnoc2C)CC1 ZINC000129671365 337430362 /nfs/dbraw/zinc/43/03/62/337430362.db2.gz KEKDGQWOFJORGN-UHFFFAOYSA-N 2 2 324.428 3.732 20 0 DHADLP CC1(C)CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000135901996 337453102 /nfs/dbraw/zinc/45/31/02/337453102.db2.gz MBKQPZOSMANLFH-KRWDZBQOSA-N 2 2 301.478 3.604 20 0 DHADLP c1cc2cccc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)c2[nH]1 ZINC000236768837 337465129 /nfs/dbraw/zinc/46/51/29/337465129.db2.gz AGTOARMGNZWXHI-UHFFFAOYSA-N 2 2 316.408 3.703 20 0 DHADLP CC(C)c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000420223262 337496856 /nfs/dbraw/zinc/49/68/56/337496856.db2.gz ZXXPRQXTCCAVIU-MRXNPFEDSA-N 2 2 316.493 3.692 20 0 DHADLP Cc1sc([C@H](C)[NH2+]C[C@H](C)[NH3+])nc1-c1ccc(Cl)cc1 ZINC000420407689 337500712 /nfs/dbraw/zinc/50/07/12/337500712.db2.gz ONFPCUHRPIOFBW-UWVGGRQHSA-N 2 2 309.866 3.770 20 0 DHADLP Cc1sc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])nc1C(C)C ZINC000422719552 337684214 /nfs/dbraw/zinc/68/42/14/337684214.db2.gz YRIMSGBMASRXNL-CJNGLKHVSA-N 2 2 317.502 3.623 20 0 DHADLP Cc1csc(C2([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CCC2)n1 ZINC000422934865 337692257 /nfs/dbraw/zinc/69/22/57/337692257.db2.gz GNEBZWICNNNDIW-HIFRSBDPSA-N 2 2 307.507 3.731 20 0 DHADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422939442 337692470 /nfs/dbraw/zinc/69/24/70/337692470.db2.gz FPPBYMQHIGVDDT-GBESFXJTSA-N 2 2 308.425 3.807 20 0 DHADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423098163 337699435 /nfs/dbraw/zinc/69/94/35/337699435.db2.gz CHKDKBXLZFTGQH-ABAIWWIYSA-N 2 2 321.877 3.551 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423118588 337700508 /nfs/dbraw/zinc/70/05/08/337700508.db2.gz BLFNJFBKINSUCL-KHYOSLBOSA-N 2 2 311.429 3.665 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1nc2ccc(Cl)cc2n1C ZINC000423183110 337702704 /nfs/dbraw/zinc/70/27/04/337702704.db2.gz RDWRDFMBCQFRQB-GFCCVEGCSA-N 2 2 320.868 3.539 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423187631 337703056 /nfs/dbraw/zinc/70/30/56/337703056.db2.gz KXYJFQUPDMATLO-VQIMIIECSA-N 2 2 310.441 3.668 20 0 DHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423234105 337706295 /nfs/dbraw/zinc/70/62/95/337706295.db2.gz KYAROJFVERLSAZ-YJBOKZPZSA-N 2 2 310.441 3.765 20 0 DHADLP Cc1nc2c(s1)[C@H]([NH2+]CC[NH2+]C1CCCCCC1)CCC2 ZINC000423278716 337709094 /nfs/dbraw/zinc/70/90/94/337709094.db2.gz QKUDVKVKUJWPFM-OAHLLOKOSA-N 2 2 307.507 3.731 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1OC ZINC000423285200 337709573 /nfs/dbraw/zinc/70/95/73/337709573.db2.gz XZIWPOZNWCPPAJ-OAHLLOKOSA-N 2 2 320.477 3.667 20 0 DHADLP CC(C)([NH3+])C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423286810 337709638 /nfs/dbraw/zinc/70/96/38/337709638.db2.gz IXBBGUAVACORLB-MRXNPFEDSA-N 2 2 306.812 3.895 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1csc(-c2ccccc2F)n1 ZINC000423390121 337718175 /nfs/dbraw/zinc/71/81/75/337718175.db2.gz VTGRIXPKSWSKOA-JHJVBQTASA-N 2 2 319.449 3.740 20 0 DHADLP C[C@@H]([NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000423454726 337720316 /nfs/dbraw/zinc/72/03/16/337720316.db2.gz ZLBWLWXNKYEIEH-JKDFXYPNSA-N 2 2 306.812 3.894 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc2c(ccc3ccccc23)o1 ZINC000423492752 337722687 /nfs/dbraw/zinc/72/26/87/337722687.db2.gz ONFDQJGWEBMFEK-HOCLYGCPSA-N 2 2 324.424 3.615 20 0 DHADLP Cc1nc(-c2cc([C@@H](C)[NH2+][C@H]3CCCC[NH2+]C3)cs2)cs1 ZINC000423568622 337725667 /nfs/dbraw/zinc/72/56/67/337725667.db2.gz VSIAHFQWXUSLSZ-RISCZKNCSA-N 2 2 321.515 3.973 20 0 DHADLP CCCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000423908729 337729529 /nfs/dbraw/zinc/72/95/29/337729529.db2.gz POFNVVHVDHSXEY-INIZCTEOSA-N 2 2 313.401 3.638 20 0 DHADLP COCCC1CC[NH+]([C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000527936335 337777067 /nfs/dbraw/zinc/77/70/67/337777067.db2.gz QSDQADAWPIVJDX-MRXNPFEDSA-N 2 2 313.445 3.682 20 0 DHADLP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C(C)C)cc1 ZINC000536962254 337858541 /nfs/dbraw/zinc/85/85/41/337858541.db2.gz HCOHYSWNXHUYJL-SFHVURJKSA-N 2 2 301.434 3.659 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cnc(C)cn2)cc1 ZINC000428344050 338048034 /nfs/dbraw/zinc/04/80/34/338048034.db2.gz AJSKJMGHLIVINH-LSDHHAIUSA-N 2 2 321.428 3.691 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)o1 ZINC000428441738 338051658 /nfs/dbraw/zinc/05/16/58/338051658.db2.gz QVZHZFNRYHBCMF-DLBZAZTESA-N 2 2 321.509 3.926 20 0 DHADLP C[N@H+](CCCC1CCOCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000428487387 338054798 /nfs/dbraw/zinc/05/47/98/338054798.db2.gz YNXWLPIAUJTGKL-UHFFFAOYSA-N 2 2 310.526 3.780 20 0 DHADLP C[N@@H+](CCCC1CCOCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000428487387 338054799 /nfs/dbraw/zinc/05/47/99/338054799.db2.gz YNXWLPIAUJTGKL-UHFFFAOYSA-N 2 2 310.526 3.780 20 0 DHADLP FC(F)(F)c1ccc(C[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000428886007 338064589 /nfs/dbraw/zinc/06/45/89/338064589.db2.gz HNYRVTPWHMZHFN-UHFFFAOYSA-N 2 2 315.364 3.754 20 0 DHADLP CC(C)c1ccc(-c2ncc(C[N@@H+]3CCC[C@@H]3C[NH3+])s2)cc1 ZINC000430579194 338109165 /nfs/dbraw/zinc/10/91/65/338109165.db2.gz YCFQVSFYLGFICE-MRXNPFEDSA-N 2 2 315.486 3.857 20 0 DHADLP CC(C)c1ccc(-c2ncc(C[N@H+]3CCC[C@@H]3C[NH3+])s2)cc1 ZINC000430579194 338109166 /nfs/dbraw/zinc/10/91/66/338109166.db2.gz YCFQVSFYLGFICE-MRXNPFEDSA-N 2 2 315.486 3.857 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cs2)cc1 ZINC000430931260 338119049 /nfs/dbraw/zinc/11/90/49/338119049.db2.gz BAWOFHKLYRKORS-CXAGYDPISA-N 2 2 315.486 3.542 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cs2)cc1 ZINC000430931260 338119050 /nfs/dbraw/zinc/11/90/50/338119050.db2.gz BAWOFHKLYRKORS-CXAGYDPISA-N 2 2 315.486 3.542 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432235022 338149474 /nfs/dbraw/zinc/14/94/74/338149474.db2.gz XZVQWYRFSSNGPX-VIFPVBQESA-N 2 2 302.180 3.507 20 0 DHADLP Clc1scc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000432235332 338149662 /nfs/dbraw/zinc/14/96/62/338149662.db2.gz ZUOCCDXUOXGSDW-SECBINFHSA-N 2 2 305.274 3.629 20 0 DHADLP Clc1scc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000432235332 338149663 /nfs/dbraw/zinc/14/96/63/338149663.db2.gz ZUOCCDXUOXGSDW-SECBINFHSA-N 2 2 305.274 3.629 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3s2)C[C@@H]1C ZINC000432753623 338166509 /nfs/dbraw/zinc/16/65/09/338166509.db2.gz VXSNZQFDNYWXCZ-GXTWGEPZSA-N 2 2 321.465 3.740 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3s2)C[C@@H]1C ZINC000432753623 338166510 /nfs/dbraw/zinc/16/65/10/338166510.db2.gz VXSNZQFDNYWXCZ-GXTWGEPZSA-N 2 2 321.465 3.740 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(F)cc3s2)C[C@@H]1C ZINC000432753623 338166511 /nfs/dbraw/zinc/16/65/11/338166511.db2.gz VXSNZQFDNYWXCZ-GXTWGEPZSA-N 2 2 321.465 3.740 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(F)cc3s2)C[C@@H]1C ZINC000432753623 338166512 /nfs/dbraw/zinc/16/65/12/338166512.db2.gz VXSNZQFDNYWXCZ-GXTWGEPZSA-N 2 2 321.465 3.740 20 0 DHADLP C[N@H+](Cc1csc(-c2ccccc2F)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435619668 338243762 /nfs/dbraw/zinc/24/37/62/338243762.db2.gz ZRPZRNQOQQTQPH-CQSZACIVSA-N 2 2 319.449 3.523 20 0 DHADLP C[N@@H+](Cc1csc(-c2ccccc2F)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435619668 338243763 /nfs/dbraw/zinc/24/37/63/338243763.db2.gz ZRPZRNQOQQTQPH-CQSZACIVSA-N 2 2 319.449 3.523 20 0 DHADLP CC[N@H+](Cc1nc(-c2cccs2)oc1C)[C@H]1CCC[NH2+]CC1 ZINC000435626599 338243873 /nfs/dbraw/zinc/24/38/73/338243873.db2.gz LADRQGCILNRLLS-AWEZNQCLSA-N 2 2 319.474 3.676 20 0 DHADLP CC[N@@H+](Cc1nc(-c2cccs2)oc1C)[C@H]1CCC[NH2+]CC1 ZINC000435626599 338243874 /nfs/dbraw/zinc/24/38/74/338243874.db2.gz LADRQGCILNRLLS-AWEZNQCLSA-N 2 2 319.474 3.676 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H]3C[C@@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000435791813 338249387 /nfs/dbraw/zinc/24/93/87/338249387.db2.gz SGDCYTCYCBAYPT-WKILWMFISA-N 2 2 309.438 3.970 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[N@@H+]1C1CC1 ZINC000435790162 338249467 /nfs/dbraw/zinc/24/94/67/338249467.db2.gz HZWAQCXWQMLMIB-WNOSKKOXSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[N@H+]1C1CC1 ZINC000435790162 338249468 /nfs/dbraw/zinc/24/94/68/338249468.db2.gz HZWAQCXWQMLMIB-WNOSKKOXSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cc3c(cccc3F)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000438102116 338331726 /nfs/dbraw/zinc/33/17/26/338331726.db2.gz CYXTWRKTXBDZQZ-ACJLOTCBSA-N 2 2 312.392 3.587 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000438102116 338331727 /nfs/dbraw/zinc/33/17/27/338331727.db2.gz CYXTWRKTXBDZQZ-ACJLOTCBSA-N 2 2 312.392 3.587 20 0 DHADLP C[C@H](C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000438101380 338331733 /nfs/dbraw/zinc/33/17/33/338331733.db2.gz AWNMGMUIZNTSSS-DAYGRLMNSA-N 2 2 301.409 3.709 20 0 DHADLP C[C@H](C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000438101380 338331734 /nfs/dbraw/zinc/33/17/34/338331734.db2.gz AWNMGMUIZNTSSS-DAYGRLMNSA-N 2 2 301.409 3.709 20 0 DHADLP Cc1ccc2cc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2n1 ZINC000438117244 338333001 /nfs/dbraw/zinc/33/30/01/338333001.db2.gz VCYXDHQFNVVCHU-IBGZPJMESA-N 2 2 319.408 3.592 20 0 DHADLP Cc1ccc2cc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2n1 ZINC000438117244 338333002 /nfs/dbraw/zinc/33/30/02/338333002.db2.gz VCYXDHQFNVVCHU-IBGZPJMESA-N 2 2 319.408 3.592 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438193721 338336061 /nfs/dbraw/zinc/33/60/61/338336061.db2.gz VWQWVIUTNJXPMQ-XGUBFFRZSA-N 2 2 306.416 3.960 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438193721 338336062 /nfs/dbraw/zinc/33/60/62/338336062.db2.gz VWQWVIUTNJXPMQ-XGUBFFRZSA-N 2 2 306.416 3.960 20 0 DHADLP C[C@H](C[NH2+]CCCCOc1ccccc1)[NH+]1CCC(C)CC1 ZINC000438206807 338336605 /nfs/dbraw/zinc/33/66/05/338336605.db2.gz DDSCRUYAOMZEFJ-GOSISDBHSA-N 2 2 304.478 3.556 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCCC(C)(C)C3)sc2C1 ZINC000438379816 338342260 /nfs/dbraw/zinc/34/22/60/338342260.db2.gz YVWIDKQDZQZDNV-UHFFFAOYSA-N 2 2 321.534 3.922 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCCC(C)(C)C3)sc2C1 ZINC000438379816 338342261 /nfs/dbraw/zinc/34/22/61/338342261.db2.gz YVWIDKQDZQZDNV-UHFFFAOYSA-N 2 2 321.534 3.922 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCCC(C)(C)C3)sc2C1 ZINC000438379816 338342262 /nfs/dbraw/zinc/34/22/62/338342262.db2.gz YVWIDKQDZQZDNV-UHFFFAOYSA-N 2 2 321.534 3.922 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCCC(C)(C)C3)sc2C1 ZINC000438379816 338342263 /nfs/dbraw/zinc/34/22/63/338342263.db2.gz YVWIDKQDZQZDNV-UHFFFAOYSA-N 2 2 321.534 3.922 20 0 DHADLP CC[C@H](F)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000440793822 338397666 /nfs/dbraw/zinc/39/76/66/338397666.db2.gz ATZQJVXPVNEXOF-RBUKOAKNSA-N 2 2 304.453 3.723 20 0 DHADLP CC[C@H](F)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000440793822 338397667 /nfs/dbraw/zinc/39/76/67/338397667.db2.gz ATZQJVXPVNEXOF-RBUKOAKNSA-N 2 2 304.453 3.723 20 0 DHADLP CC[C@H](F)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000440793822 338397668 /nfs/dbraw/zinc/39/76/68/338397668.db2.gz ATZQJVXPVNEXOF-RBUKOAKNSA-N 2 2 304.453 3.723 20 0 DHADLP CC[C@H](F)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000440793822 338397669 /nfs/dbraw/zinc/39/76/69/338397669.db2.gz ATZQJVXPVNEXOF-RBUKOAKNSA-N 2 2 304.453 3.723 20 0 DHADLP Clc1ccc(-c2nc(C[NH2+]CC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000572493144 338423646 /nfs/dbraw/zinc/42/36/46/338423646.db2.gz FPPVYPIDMKGGKK-CQSZACIVSA-N 2 2 321.877 3.695 20 0 DHADLP C[NH+](C)[C@H](C[NH2+]C1CCC(C(F)F)CC1)Cc1ccccc1 ZINC000442660350 338426889 /nfs/dbraw/zinc/42/68/89/338426889.db2.gz ZDIJBBGNRUKWRH-JCYILVPMSA-N 2 2 310.432 3.573 20 0 DHADLP CCO[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000194460732 338532398 /nfs/dbraw/zinc/53/23/98/338532398.db2.gz KVMWGBNVPGKGLV-HXUWFJFHSA-N 2 2 321.424 3.740 20 0 DHADLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc2ccccc21 ZINC000449018755 338584081 /nfs/dbraw/zinc/58/40/81/338584081.db2.gz LFSVNGOCCRAWJR-UHFFFAOYSA-N 2 2 321.424 3.882 20 0 DHADLP c1cc2cccc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)c2o1 ZINC000449085787 338592061 /nfs/dbraw/zinc/59/20/61/338592061.db2.gz AEKDDXFVABHPBJ-UHFFFAOYSA-N 2 2 321.424 3.582 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCc3c(F)cccc32)s1 ZINC000449350274 338616310 /nfs/dbraw/zinc/61/63/10/338616310.db2.gz LVKROCIIMUDPMJ-INIZCTEOSA-N 2 2 319.449 3.511 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2ccnc(C(F)(F)F)c2)c[nH+]1 ZINC000449439430 338624199 /nfs/dbraw/zinc/62/41/99/338624199.db2.gz VJNAMNMEYGZLRO-UHFFFAOYSA-N 2 2 309.335 3.526 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000449764341 338650706 /nfs/dbraw/zinc/65/07/06/338650706.db2.gz AOCKQNVYMHWJRO-AOIWGVFYSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[C@H](C)C1 ZINC000449766416 338651023 /nfs/dbraw/zinc/65/10/23/338651023.db2.gz NMMFYQZUPIESAJ-BZSNNMDCSA-N 2 2 315.505 3.850 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453170494 338802173 /nfs/dbraw/zinc/80/21/73/338802173.db2.gz GOXZGMPZLUJPBM-INIZCTEOSA-N 2 2 320.440 3.684 20 0 DHADLP c1ccc(NC[C@@H]2CC[N@H+](Cc3ccc(C4CC4)cc3)C2)[nH+]c1 ZINC000459321486 339021594 /nfs/dbraw/zinc/02/15/94/339021594.db2.gz HAAIKAQZQSGFOU-KRWDZBQOSA-N 2 2 307.441 3.893 20 0 DHADLP c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)[nH+]c1 ZINC000459321486 339021595 /nfs/dbraw/zinc/02/15/95/339021595.db2.gz HAAIKAQZQSGFOU-KRWDZBQOSA-N 2 2 307.441 3.893 20 0 DHADLP Cc1cc(F)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000459551527 339035374 /nfs/dbraw/zinc/03/53/74/339035374.db2.gz OSFJVJHAIIHPCL-LBPRGKRZSA-N 2 2 307.800 3.511 20 0 DHADLP Cc1cc(F)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000459551527 339035375 /nfs/dbraw/zinc/03/53/75/339035375.db2.gz OSFJVJHAIIHPCL-LBPRGKRZSA-N 2 2 307.800 3.511 20 0 DHADLP Cc1c2cccc(Cl)c2sc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459654363 339040645 /nfs/dbraw/zinc/04/06/45/339040645.db2.gz FJLATJKTWOPWOX-UHFFFAOYSA-N 2 2 319.861 3.929 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000459655327 339040899 /nfs/dbraw/zinc/04/08/99/339040899.db2.gz GBKNYBWIXHAZOI-IAGOWNOFSA-N 2 2 303.837 3.542 20 0 DHADLP Cn1c[nH+]c(CC[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000459674619 339042408 /nfs/dbraw/zinc/04/24/08/339042408.db2.gz ZSFDUFVYIYSENV-UHFFFAOYSA-N 2 2 323.362 3.517 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463028726 339101422 /nfs/dbraw/zinc/10/14/22/339101422.db2.gz OUEBTVKZJGZRHD-HOCLYGCPSA-N 2 2 302.462 3.751 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463028726 339101423 /nfs/dbraw/zinc/10/14/23/339101423.db2.gz OUEBTVKZJGZRHD-HOCLYGCPSA-N 2 2 302.462 3.751 20 0 DHADLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463146532 339107140 /nfs/dbraw/zinc/10/71/40/339107140.db2.gz CKDGIQCJVJJPEB-ROUUACIJSA-N 2 2 315.505 3.508 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H]1CSC[C@@H]1C ZINC000463191587 339108736 /nfs/dbraw/zinc/10/87/36/339108736.db2.gz ISAAEPQMXWHJLH-YOEHRIQHSA-N 2 2 317.502 3.856 20 0 DHADLP CC[N@H+]1C[C@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)[C@@H](C)C1 ZINC000466471866 339206455 /nfs/dbraw/zinc/20/64/55/339206455.db2.gz GHZUGEFMLURRFY-JQLKTRHNSA-N 2 2 310.844 3.655 20 0 DHADLP CC[N@@H+]1C[C@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)[C@@H](C)C1 ZINC000466471866 339206456 /nfs/dbraw/zinc/20/64/56/339206456.db2.gz GHZUGEFMLURRFY-JQLKTRHNSA-N 2 2 310.844 3.655 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311367 339231202 /nfs/dbraw/zinc/23/12/02/339231202.db2.gz PRUHLJGETIEGMP-BBRMVZONSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311367 339231203 /nfs/dbraw/zinc/23/12/03/339231203.db2.gz PRUHLJGETIEGMP-BBRMVZONSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000467356360 339233660 /nfs/dbraw/zinc/23/36/60/339233660.db2.gz VLIHHWVCOGVVJA-ZDUSSCGKSA-N 2 2 314.395 3.710 20 0 DHADLP C/C(=C/c1ccccc1)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000467551568 339242144 /nfs/dbraw/zinc/24/21/44/339242144.db2.gz SSWNCTYVXCPHPB-VKAVYKQESA-N 2 2 307.441 3.616 20 0 DHADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471619158 339349766 /nfs/dbraw/zinc/34/97/66/339349766.db2.gz ODLIXCXGRISYAS-IPYPFGDCSA-N 2 2 302.384 3.998 20 0 DHADLP COc1ccccc1/C=C/C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000472039310 339360038 /nfs/dbraw/zinc/36/00/38/339360038.db2.gz WMRXUDQQCGMWFV-KTIZVAHXSA-N 2 2 324.468 3.989 20 0 DHADLP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000472054864 339361309 /nfs/dbraw/zinc/36/13/09/339361309.db2.gz SYNMRWNPLHXYBG-DNVCBOLYSA-N 2 2 300.421 3.915 20 0 DHADLP CC(C)C[C@H](C[NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000474882169 339429675 /nfs/dbraw/zinc/42/96/75/339429675.db2.gz KRMUFGDSUTUXJW-AZUAARDMSA-N 2 2 318.505 3.517 20 0 DHADLP Fc1ccc(CCCC[NH2+]Cc2cccc3[nH+]ccn32)cc1F ZINC000479389633 339532783 /nfs/dbraw/zinc/53/27/83/339532783.db2.gz KLOBLRPWMLLBKS-UHFFFAOYSA-N 2 2 315.367 3.725 20 0 DHADLP CCOc1ccccc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000479540224 339540061 /nfs/dbraw/zinc/54/00/61/339540061.db2.gz FVJMFPOUALTWQK-GTPINHCMSA-N 2 2 302.462 3.753 20 0 DHADLP CCCC[C@H](COC)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000479850344 339550441 /nfs/dbraw/zinc/55/04/41/339550441.db2.gz HIBPBDMJYJMZDA-RTBURBONSA-N 2 2 304.478 3.618 20 0 DHADLP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(Br)o1 ZINC000480350894 339570078 /nfs/dbraw/zinc/57/00/78/339570078.db2.gz AXRJMHWYFKWKIJ-UHFFFAOYSA-N 2 2 317.271 3.644 20 0 DHADLP COC1(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CCCC1 ZINC000480384941 339571517 /nfs/dbraw/zinc/57/15/17/339571517.db2.gz ITPXZARVBSHAGC-IBGZPJMESA-N 2 2 316.489 3.681 20 0 DHADLP c1cn(-c2ccccc2C[NH2+][C@@H](Cc2ccccc2)C2CC2)c[nH+]1 ZINC000481550031 339606440 /nfs/dbraw/zinc/60/64/40/339606440.db2.gz ZHYUWPMYKNAHOW-FQEVSTJZSA-N 2 2 317.436 3.983 20 0 DHADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccsc1 ZINC000484316373 339684818 /nfs/dbraw/zinc/68/48/18/339684818.db2.gz ZUCMZRAJCBIGAM-MRXNPFEDSA-N 2 2 322.518 3.681 20 0 DHADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000484467757 339686617 /nfs/dbraw/zinc/68/66/17/339686617.db2.gz ARUSXDQZAVNTDZ-YJBOKZPZSA-N 2 2 306.519 3.898 20 0 DHADLP CC1CC[NH+]([C@@H](C[NH2+]C[C@H]2CCSC2)c2cccs2)CC1 ZINC000486977692 339741083 /nfs/dbraw/zinc/74/10/83/339741083.db2.gz XMRFVXSMPGNDTC-CVEARBPZSA-N 2 2 324.559 3.864 20 0 DHADLP C[C@@H]([NH2+]C/C=C/c1ccncc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000487286056 339749180 /nfs/dbraw/zinc/74/91/80/339749180.db2.gz DNCMEYSICMNPJF-QDLOVBKTSA-N 2 2 304.397 3.631 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000499698501 340042846 /nfs/dbraw/zinc/04/28/46/340042846.db2.gz OZEMTYLLYGUMJT-OSFYFWSMSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[N@H+]1C1CC1 ZINC000499698501 340042847 /nfs/dbraw/zinc/04/28/47/340042847.db2.gz OZEMTYLLYGUMJT-OSFYFWSMSA-N 2 2 304.400 3.570 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccccc2)s1 ZINC000499915593 340047061 /nfs/dbraw/zinc/04/70/61/340047061.db2.gz ZYAUUJRVHSPQJK-UHFFFAOYSA-N 2 2 315.486 3.728 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccccc2)s1 ZINC000499915593 340047062 /nfs/dbraw/zinc/04/70/62/340047062.db2.gz ZYAUUJRVHSPQJK-UHFFFAOYSA-N 2 2 315.486 3.728 20 0 DHADLP Cc1ccn2cc(CNc3cc[nH+]c4cc(F)ccc34)[nH+]c2c1 ZINC000500470776 340059955 /nfs/dbraw/zinc/05/99/55/340059955.db2.gz KAXJHXVLAWMIMB-UHFFFAOYSA-N 2 2 306.344 3.942 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000501481286 340082122 /nfs/dbraw/zinc/08/21/22/340082122.db2.gz QSDNMJKXPDNBKF-KIWPFMIBSA-N 2 2 300.368 3.648 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000502054509 340094231 /nfs/dbraw/zinc/09/42/31/340094231.db2.gz SFLTUJZZNVISTF-UXHICEINSA-N 2 2 316.489 3.577 20 0 DHADLP Cc1ccc(CCC[NH2+]C(C)(C)COCc2ccccc2)c[nH+]1 ZINC000502369218 340100874 /nfs/dbraw/zinc/10/08/74/340100874.db2.gz CFABMJJCIJDARG-UHFFFAOYSA-N 2 2 312.457 3.908 20 0 DHADLP Cc1ccccc1[C@@]1(F)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000502878725 340115438 /nfs/dbraw/zinc/11/54/38/340115438.db2.gz UTZSONVVFXNTNM-IEBWSBKVSA-N 2 2 304.453 3.740 20 0 DHADLP Cc1ccccc1[C@@]1(F)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000502878725 340115439 /nfs/dbraw/zinc/11/54/39/340115439.db2.gz UTZSONVVFXNTNM-IEBWSBKVSA-N 2 2 304.453 3.740 20 0 DHADLP Cc1ccccc1[C@@]1(F)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000502878725 340115440 /nfs/dbraw/zinc/11/54/40/340115440.db2.gz UTZSONVVFXNTNM-IEBWSBKVSA-N 2 2 304.453 3.740 20 0 DHADLP Cc1ccccc1[C@@]1(F)CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000502878725 340115441 /nfs/dbraw/zinc/11/54/41/340115441.db2.gz UTZSONVVFXNTNM-IEBWSBKVSA-N 2 2 304.453 3.740 20 0 DHADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503040939 340119504 /nfs/dbraw/zinc/11/95/04/340119504.db2.gz COGONNVVKJHSHD-QZTJIDSGSA-N 2 2 319.452 3.899 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)on2)C[C@@H]1C ZINC000503080269 340120557 /nfs/dbraw/zinc/12/05/57/340120557.db2.gz KABBLUCGZDZUGH-YJBOKZPZSA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)on2)C[C@@H]1C ZINC000503080269 340120558 /nfs/dbraw/zinc/12/05/58/340120558.db2.gz KABBLUCGZDZUGH-YJBOKZPZSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)C[C@@H]1C ZINC000503080269 340120559 /nfs/dbraw/zinc/12/05/59/340120559.db2.gz KABBLUCGZDZUGH-YJBOKZPZSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)C[C@@H]1C ZINC000503080269 340120560 /nfs/dbraw/zinc/12/05/60/340120560.db2.gz KABBLUCGZDZUGH-YJBOKZPZSA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC000503080267 340120587 /nfs/dbraw/zinc/12/05/87/340120587.db2.gz KABBLUCGZDZUGH-QAPCUYQASA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC000503080267 340120588 /nfs/dbraw/zinc/12/05/88/340120588.db2.gz KABBLUCGZDZUGH-QAPCUYQASA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC000503080267 340120589 /nfs/dbraw/zinc/12/05/89/340120589.db2.gz KABBLUCGZDZUGH-QAPCUYQASA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC000503080267 340120590 /nfs/dbraw/zinc/12/05/90/340120590.db2.gz KABBLUCGZDZUGH-QAPCUYQASA-N 2 2 313.445 3.646 20 0 DHADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000508687796 340250681 /nfs/dbraw/zinc/25/06/81/340250681.db2.gz BEOXSGVOFVRBTR-SFHVURJKSA-N 2 2 311.473 3.800 20 0 DHADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000508687796 340250682 /nfs/dbraw/zinc/25/06/82/340250682.db2.gz BEOXSGVOFVRBTR-SFHVURJKSA-N 2 2 311.473 3.800 20 0 DHADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000508763952 340252648 /nfs/dbraw/zinc/25/26/48/340252648.db2.gz JYCMENRTWMMVGF-MRXNPFEDSA-N 2 2 306.881 3.956 20 0 DHADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000508763952 340252649 /nfs/dbraw/zinc/25/26/49/340252649.db2.gz JYCMENRTWMMVGF-MRXNPFEDSA-N 2 2 306.881 3.956 20 0 DHADLP CC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000402709645 340256318 /nfs/dbraw/zinc/25/63/18/340256318.db2.gz UIPCBRLLFLULBK-CYBMUJFWSA-N 2 2 311.351 3.941 20 0 DHADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCNc1cccc[nH+]1 ZINC000510689434 340306795 /nfs/dbraw/zinc/30/67/95/340306795.db2.gz WASXPCHZCDBSRT-AWEZNQCLSA-N 2 2 319.399 3.773 20 0 DHADLP C([NH2+][C@H]1CC[C@H]1C1CCC1)C1([NH+]2CCSCC2)CCCC1 ZINC000510723518 340308212 /nfs/dbraw/zinc/30/82/12/340308212.db2.gz RLJNTZVYXLQRKP-IRXDYDNUSA-N 2 2 308.535 3.516 20 0 DHADLP Cc1cc(OCCC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C)ccc1Cl ZINC000510733736 340308637 /nfs/dbraw/zinc/30/86/37/340308637.db2.gz MFXIQKFRWRDNMU-GJZGRUSLSA-N 2 2 312.885 3.736 20 0 DHADLP Fc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512275143 340355146 /nfs/dbraw/zinc/35/51/46/340355146.db2.gz HADKLFDUGPYJQA-OAQYLSRUSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512275143 340355147 /nfs/dbraw/zinc/35/51/47/340355147.db2.gz HADKLFDUGPYJQA-OAQYLSRUSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512275143 340355148 /nfs/dbraw/zinc/35/51/48/340355148.db2.gz HADKLFDUGPYJQA-OAQYLSRUSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512275143 340355149 /nfs/dbraw/zinc/35/51/49/340355149.db2.gz HADKLFDUGPYJQA-OAQYLSRUSA-N 2 2 324.443 3.924 20 0 DHADLP CCC[N@H+](C)[C@@H](C[NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1 ZINC000512567697 340367288 /nfs/dbraw/zinc/36/72/88/340367288.db2.gz CTYZGDRDSWQWTJ-SFHVURJKSA-N 2 2 319.880 3.851 20 0 DHADLP CCC[N@@H+](C)[C@@H](C[NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1 ZINC000512567697 340367289 /nfs/dbraw/zinc/36/72/89/340367289.db2.gz CTYZGDRDSWQWTJ-SFHVURJKSA-N 2 2 319.880 3.851 20 0 DHADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000513050935 340390884 /nfs/dbraw/zinc/39/08/84/340390884.db2.gz IQXJYXPTTTUIHH-NHAGDIPZSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cc(O)cc(F)c1)c1ccccc1 ZINC000185534999 340502517 /nfs/dbraw/zinc/50/25/17/340502517.db2.gz RKBHELPXXCQCEA-CQSZACIVSA-N 2 2 316.420 3.750 20 0 DHADLP C[C@H]([NH2+]Cc1cccc2[nH]ccc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000185679776 340504162 /nfs/dbraw/zinc/50/41/62/340504162.db2.gz NVIHXPROSMNBIL-YWZLYKJASA-N 2 2 307.441 3.949 20 0 DHADLP C[C@H](CCC1CC1)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000186258909 340510016 /nfs/dbraw/zinc/51/00/16/340510016.db2.gz SQROBRZAQRGCIQ-OAHLLOKOSA-N 2 2 304.453 3.958 20 0 DHADLP Cc1ccccc1C1CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000237707032 340673220 /nfs/dbraw/zinc/67/32/20/340673220.db2.gz YADCYXBFNVUBBF-UHFFFAOYSA-N 2 2 321.468 3.895 20 0 DHADLP Cc1ccc(CCC[NH2+]C2CC(OCc3ccccc3)C2)c[nH+]1 ZINC000525992167 340707842 /nfs/dbraw/zinc/70/78/42/340707842.db2.gz XMIOYDYCDWCXKK-UHFFFAOYSA-N 2 2 310.441 3.660 20 0 DHADLP CC(C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(F)ccc1F ZINC000527283666 340709913 /nfs/dbraw/zinc/70/99/13/340709913.db2.gz ZIJLOGRGWWDXBQ-QGZVFWFLSA-N 2 2 307.388 3.928 20 0 DHADLP CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CC1(C)C ZINC000397721554 340714005 /nfs/dbraw/zinc/71/40/05/340714005.db2.gz XPPMMOOXCMDYTK-SJORKVTESA-N 2 2 301.478 3.855 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1OC ZINC000530219639 340782924 /nfs/dbraw/zinc/78/29/24/340782924.db2.gz MESTWQBWSCHZIT-ZBFHGGJFSA-N 2 2 308.853 3.674 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530222739 340783060 /nfs/dbraw/zinc/78/30/60/340783060.db2.gz RKIBYOFLQISHKP-MLGOLLRUSA-N 2 2 308.853 3.674 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(-c2ccncc2)cc1 ZINC000530222155 340783160 /nfs/dbraw/zinc/78/31/60/340783160.db2.gz QJWNLRUAXCONIL-KXBFYZLASA-N 2 2 307.441 3.684 20 0 DHADLP Cc1ccsc1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000070090365 340988719 /nfs/dbraw/zinc/98/87/19/340988719.db2.gz VIIATWGQWRAXEP-AWEZNQCLSA-N 2 2 301.459 3.771 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)CCc1cccc(F)c1 ZINC000543095484 341031761 /nfs/dbraw/zinc/03/17/61/341031761.db2.gz OXIYHHKQBDVOPC-LZQZEXGQSA-N 2 2 304.453 3.705 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)CCc1cccc(F)c1 ZINC000543095484 341031762 /nfs/dbraw/zinc/03/17/62/341031762.db2.gz OXIYHHKQBDVOPC-LZQZEXGQSA-N 2 2 304.453 3.705 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)CCc1cccc(F)c1 ZINC000543095484 341031763 /nfs/dbraw/zinc/03/17/63/341031763.db2.gz OXIYHHKQBDVOPC-LZQZEXGQSA-N 2 2 304.453 3.705 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)CCc1cccc(F)c1 ZINC000543095484 341031764 /nfs/dbraw/zinc/03/17/64/341031764.db2.gz OXIYHHKQBDVOPC-LZQZEXGQSA-N 2 2 304.453 3.705 20 0 DHADLP Cc1cccc(C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CC2)c1 ZINC000130683706 341039152 /nfs/dbraw/zinc/03/91/52/341039152.db2.gz NWWZOYILTXZWNR-HXUWFJFHSA-N 2 2 319.452 3.796 20 0 DHADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130708224 341039787 /nfs/dbraw/zinc/03/97/87/341039787.db2.gz MAMGUVMCEPRQBG-DJJJIMSYSA-N 2 2 309.388 3.539 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CC[C@H](Cc4ccccc4)C3)c2)c[nH+]1 ZINC000543394098 341041676 /nfs/dbraw/zinc/04/16/76/341041676.db2.gz QFXXTYKYUGTTAE-QGZVFWFLSA-N 2 2 323.465 3.998 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)c2)c[nH+]1 ZINC000543394098 341041677 /nfs/dbraw/zinc/04/16/77/341041677.db2.gz QFXXTYKYUGTTAE-QGZVFWFLSA-N 2 2 323.465 3.998 20 0 DHADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000543633675 341052145 /nfs/dbraw/zinc/05/21/45/341052145.db2.gz RGSIVQWUUHKSJL-HNAYVOBHSA-N 2 2 302.437 3.693 20 0 DHADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000543633675 341052146 /nfs/dbraw/zinc/05/21/46/341052146.db2.gz RGSIVQWUUHKSJL-HNAYVOBHSA-N 2 2 302.437 3.693 20 0 DHADLP C[N@@H+]1CCCC12CC[NH+](CCc1c(F)cccc1Cl)CC2 ZINC000544115943 341070747 /nfs/dbraw/zinc/07/07/47/341070747.db2.gz BKOKFAYSHCZULE-UHFFFAOYSA-N 2 2 310.844 3.582 20 0 DHADLP C[N@H+]1CCCC12CC[NH+](CCc1c(F)cccc1Cl)CC2 ZINC000544115943 341070748 /nfs/dbraw/zinc/07/07/48/341070748.db2.gz BKOKFAYSHCZULE-UHFFFAOYSA-N 2 2 310.844 3.582 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)[C@@H](C)C1 ZINC000544355965 341077800 /nfs/dbraw/zinc/07/78/00/341077800.db2.gz WRAQAHAJGGTQHP-UGUYLWEFSA-N 2 2 303.494 3.910 20 0 DHADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000544407037 341080674 /nfs/dbraw/zinc/08/06/74/341080674.db2.gz CJSABYAQLYLIPK-UYAOXDASSA-N 2 2 300.490 3.816 20 0 DHADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000544407037 341080675 /nfs/dbraw/zinc/08/06/75/341080675.db2.gz CJSABYAQLYLIPK-UYAOXDASSA-N 2 2 300.490 3.816 20 0 DHADLP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421227 341081574 /nfs/dbraw/zinc/08/15/74/341081574.db2.gz JHCZDIPBKNNEBY-LSDHHAIUSA-N 2 2 319.493 3.715 20 0 DHADLP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421227 341081575 /nfs/dbraw/zinc/08/15/75/341081575.db2.gz JHCZDIPBKNNEBY-LSDHHAIUSA-N 2 2 319.493 3.715 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000544611229 341088833 /nfs/dbraw/zinc/08/88/33/341088833.db2.gz NCUYACYMMGOTGD-IYKSTZQJSA-N 2 2 308.416 3.642 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000544611229 341088834 /nfs/dbraw/zinc/08/88/34/341088834.db2.gz NCUYACYMMGOTGD-IYKSTZQJSA-N 2 2 308.416 3.642 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000545157924 341110663 /nfs/dbraw/zinc/11/06/63/341110663.db2.gz JXPAJPULPFFELY-INIZCTEOSA-N 2 2 304.503 3.581 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000545157924 341110664 /nfs/dbraw/zinc/11/06/64/341110664.db2.gz JXPAJPULPFFELY-INIZCTEOSA-N 2 2 304.503 3.581 20 0 DHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1 ZINC000132267452 341119681 /nfs/dbraw/zinc/11/96/81/341119681.db2.gz UGFCVGKVYTZWAP-MRXNPFEDSA-N 2 2 323.415 3.964 20 0 DHADLP C[C@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000132644947 341135486 /nfs/dbraw/zinc/13/54/86/341135486.db2.gz GBRCVHRPRRYRFK-BBRMVZONSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000132644947 341135487 /nfs/dbraw/zinc/13/54/87/341135487.db2.gz GBRCVHRPRRYRFK-BBRMVZONSA-N 2 2 323.362 3.985 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000564306024 341176293 /nfs/dbraw/zinc/17/62/93/341176293.db2.gz ZEWPSDCHOQGBIP-UHFFFAOYSA-N 2 2 310.441 3.660 20 0 DHADLP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000546689249 341178921 /nfs/dbraw/zinc/17/89/21/341178921.db2.gz VNSPEERVELJGOG-ZWKOTPCHSA-N 2 2 312.461 3.683 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000547356013 341208495 /nfs/dbraw/zinc/20/84/95/341208495.db2.gz BLEKFKODCWYJFQ-KXBFYZLASA-N 2 2 312.457 3.667 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000547356013 341208496 /nfs/dbraw/zinc/20/84/96/341208496.db2.gz BLEKFKODCWYJFQ-KXBFYZLASA-N 2 2 312.457 3.667 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C[N@@H+]1Cc1ccccc1 ZINC000237482909 341214806 /nfs/dbraw/zinc/21/48/06/341214806.db2.gz JTIREOUUTJOUMP-OXQOHEQNSA-N 2 2 319.452 3.921 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C[N@H+]1Cc1ccccc1 ZINC000237482909 341214807 /nfs/dbraw/zinc/21/48/07/341214807.db2.gz JTIREOUUTJOUMP-OXQOHEQNSA-N 2 2 319.452 3.921 20 0 DHADLP C[C@@H](Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1[nH+]ccn1C ZINC000245627810 341306112 /nfs/dbraw/zinc/30/61/12/341306112.db2.gz SBJJGXGEKCYKEO-HZPDHXFCSA-N 2 2 312.461 3.968 20 0 DHADLP C[C@@H](Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1[nH+]ccn1C ZINC000245627810 341306113 /nfs/dbraw/zinc/30/61/13/341306113.db2.gz SBJJGXGEKCYKEO-HZPDHXFCSA-N 2 2 312.461 3.968 20 0 DHADLP Cc1cccn2c(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)c[nH+]c12 ZINC000245692330 341309856 /nfs/dbraw/zinc/30/98/56/341309856.db2.gz BRMMBNGXAXTPBI-CVEARBPZSA-N 2 2 301.459 3.503 20 0 DHADLP Cc1cccn2c(C[N@H+]3CCS[C@H]4CCCC[C@H]43)c[nH+]c12 ZINC000245692330 341309857 /nfs/dbraw/zinc/30/98/57/341309857.db2.gz BRMMBNGXAXTPBI-CVEARBPZSA-N 2 2 301.459 3.503 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246130885 341328216 /nfs/dbraw/zinc/32/82/16/341328216.db2.gz BOSMOKQYRVWYFW-KBXCAEBGSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246130885 341328217 /nfs/dbraw/zinc/32/82/17/341328217.db2.gz BOSMOKQYRVWYFW-KBXCAEBGSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@H]1CC[N@H+](CCSc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000246247096 341337514 /nfs/dbraw/zinc/33/75/14/341337514.db2.gz IUFWFBBUAGPLEW-GOEBONIOSA-N 2 2 319.449 3.697 20 0 DHADLP C[C@H]1CC[N@@H+](CCSc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000246247096 341337515 /nfs/dbraw/zinc/33/75/15/341337515.db2.gz IUFWFBBUAGPLEW-GOEBONIOSA-N 2 2 319.449 3.697 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1Cl ZINC000551373599 341339825 /nfs/dbraw/zinc/33/98/25/341339825.db2.gz ZYBIBSOPIHIMOE-GFCCVEGCSA-N 2 2 319.836 3.732 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1 ZINC000551791992 341351795 /nfs/dbraw/zinc/35/17/95/341351795.db2.gz XQGUEGFUBVZHPE-WOUAJJJCSA-N 2 2 316.489 3.651 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551817587 341352977 /nfs/dbraw/zinc/35/29/77/341352977.db2.gz PWPYFRMQTKUOHB-GUYCJALGSA-N 2 2 304.865 3.792 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551817587 341352978 /nfs/dbraw/zinc/35/29/78/341352978.db2.gz PWPYFRMQTKUOHB-GUYCJALGSA-N 2 2 304.865 3.792 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551817585 341353019 /nfs/dbraw/zinc/35/30/19/341353019.db2.gz PWPYFRMQTKUOHB-CXAGYDPISA-N 2 2 304.865 3.792 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000551817585 341353020 /nfs/dbraw/zinc/35/30/20/341353020.db2.gz PWPYFRMQTKUOHB-CXAGYDPISA-N 2 2 304.865 3.792 20 0 DHADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247311245 341363213 /nfs/dbraw/zinc/36/32/13/341363213.db2.gz FTBFATIFFUVCTC-CZUORRHYSA-N 2 2 319.836 3.628 20 0 DHADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247311245 341363214 /nfs/dbraw/zinc/36/32/14/341363214.db2.gz FTBFATIFFUVCTC-CZUORRHYSA-N 2 2 319.836 3.628 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000247340153 341363780 /nfs/dbraw/zinc/36/37/80/341363780.db2.gz NSOUJGZPKWAIMK-UIAACRFSSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000247340153 341363781 /nfs/dbraw/zinc/36/37/81/341363781.db2.gz NSOUJGZPKWAIMK-UIAACRFSSA-N 2 2 312.432 3.987 20 0 DHADLP CSc1cccc(F)c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000552087289 341368696 /nfs/dbraw/zinc/36/86/96/341368696.db2.gz DDFGJZVFEPBWQY-UHFFFAOYSA-N 2 2 310.482 3.900 20 0 DHADLP COc1cccc([C@H](C[NH2+][C@@H]2CC=C(C)CC2)[NH+]2CCCC2)c1 ZINC000552095736 341369501 /nfs/dbraw/zinc/36/95/01/341369501.db2.gz OHADKNOXAZQHRR-QUCCMNQESA-N 2 2 314.473 3.921 20 0 DHADLP Cc1ccccc1OCCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247790009 341370353 /nfs/dbraw/zinc/37/03/53/341370353.db2.gz YZOAPRVJCLTZPE-AEFFLSMTSA-N 2 2 313.445 3.544 20 0 DHADLP Cc1ccccc1OCCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247790009 341370354 /nfs/dbraw/zinc/37/03/54/341370354.db2.gz YZOAPRVJCLTZPE-AEFFLSMTSA-N 2 2 313.445 3.544 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247940753 341371292 /nfs/dbraw/zinc/37/12/92/341371292.db2.gz CZSMDMKQYFICMM-GDBMZVCRSA-N 2 2 312.379 3.622 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247940753 341371293 /nfs/dbraw/zinc/37/12/93/341371293.db2.gz CZSMDMKQYFICMM-GDBMZVCRSA-N 2 2 312.379 3.622 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247940753 341371294 /nfs/dbraw/zinc/37/12/94/341371294.db2.gz CZSMDMKQYFICMM-GDBMZVCRSA-N 2 2 312.379 3.622 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247940753 341371295 /nfs/dbraw/zinc/37/12/95/341371295.db2.gz CZSMDMKQYFICMM-GDBMZVCRSA-N 2 2 312.379 3.622 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)c(C)c2c1 ZINC000248170970 341374277 /nfs/dbraw/zinc/37/42/77/341374277.db2.gz USTPBUBDAZHBRQ-AEGPPILISA-N 2 2 316.445 3.883 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c(C)c2c1 ZINC000248170970 341374278 /nfs/dbraw/zinc/37/42/78/341374278.db2.gz USTPBUBDAZHBRQ-AEGPPILISA-N 2 2 316.445 3.883 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000249409997 341397292 /nfs/dbraw/zinc/39/72/92/341397292.db2.gz VDPFSTWWOBKMKT-BLLLJJGKSA-N 2 2 307.800 3.759 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000249409997 341397293 /nfs/dbraw/zinc/39/72/93/341397293.db2.gz VDPFSTWWOBKMKT-BLLLJJGKSA-N 2 2 307.800 3.759 20 0 DHADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)[NH+]2CCCC2)cc1 ZINC000554050623 341441776 /nfs/dbraw/zinc/44/17/76/341441776.db2.gz QAKRCIOQPVISKG-AQNXPRMDSA-N 2 2 314.473 3.610 20 0 DHADLP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CCSC2)[NH+](C)C)cc1 ZINC000554140730 341445453 /nfs/dbraw/zinc/44/54/53/341445453.db2.gz JEPQHXJHZOLSGF-ROUUACIJSA-N 2 2 306.519 3.583 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000554890828 341468808 /nfs/dbraw/zinc/46/88/08/341468808.db2.gz YEALTYUCSSIUFL-UGSOOPFHSA-N 2 2 300.377 3.574 20 0 DHADLP CC(C)(C)C1CC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000555606249 341486777 /nfs/dbraw/zinc/48/67/77/341486777.db2.gz BTFKONSPOBDPPR-UHFFFAOYSA-N 2 2 306.416 3.818 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H]2CCO[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000556214594 341497654 /nfs/dbraw/zinc/49/76/54/341497654.db2.gz VRTHLUFITGYBQP-VDGAXYAQSA-N 2 2 318.505 3.789 20 0 DHADLP C[C@@H]([NH2+][C@@H](c1cccs1)c1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000566089047 341547424 /nfs/dbraw/zinc/54/74/24/341547424.db2.gz GDCFHVPBOPYBOJ-SRCQZFHVSA-N 2 2 304.434 3.707 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC(C)(C)[NH+](C)C ZINC000580643757 341891300 /nfs/dbraw/zinc/89/13/00/341891300.db2.gz HJZVVZNWWXAHNK-RAXLEYEMSA-N 2 2 312.404 3.621 20 0 DHADLP Brc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266951769 518224744 /nfs/dbraw/zinc/22/47/44/518224744.db2.gz UNHRCVGNGNGPIG-ZDUSSCGKSA-N 2 2 320.234 3.552 20 0 DHADLP Brc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266951769 518224746 /nfs/dbraw/zinc/22/47/46/518224746.db2.gz UNHRCVGNGNGPIG-ZDUSSCGKSA-N 2 2 320.234 3.552 20 0 DHADLP CC[NH+](CC)CCC[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000338238786 520605747 /nfs/dbraw/zinc/60/57/47/520605747.db2.gz NFTBGXAQQWIXDZ-UHFFFAOYSA-N 2 2 302.462 3.516 20 0 DHADLP CC[NH+](CC)CCC[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000338238786 520605750 /nfs/dbraw/zinc/60/57/50/520605750.db2.gz NFTBGXAQQWIXDZ-UHFFFAOYSA-N 2 2 302.462 3.516 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000338284782 520623626 /nfs/dbraw/zinc/62/36/26/520623626.db2.gz JITFMXOCOBTVNH-LJQANCHMSA-N 2 2 315.436 3.632 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccco1 ZINC000156645482 522730733 /nfs/dbraw/zinc/73/07/33/522730733.db2.gz SLGALVADSGXRIZ-SFHVURJKSA-N 2 2 320.477 3.601 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1c(Cl)ccc2cccnc21 ZINC000337222605 522749794 /nfs/dbraw/zinc/74/97/94/522749794.db2.gz FSPAUCKTDKJRDY-UHFFFAOYSA-N 2 2 317.864 3.806 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1c(Cl)ccc2cccnc21 ZINC000337222605 522749805 /nfs/dbraw/zinc/74/98/05/522749805.db2.gz FSPAUCKTDKJRDY-UHFFFAOYSA-N 2 2 317.864 3.806 20 0 DHADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000159082409 523298203 /nfs/dbraw/zinc/29/82/03/523298203.db2.gz BJCTVVREMPMWSP-GFCCVEGCSA-N 2 2 316.898 3.553 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000124677911 523848223 /nfs/dbraw/zinc/84/82/23/523848223.db2.gz LEMYFESSHSXMFT-GOEBONIOSA-N 2 2 315.486 3.918 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000124677911 523848227 /nfs/dbraw/zinc/84/82/27/523848227.db2.gz LEMYFESSHSXMFT-GOEBONIOSA-N 2 2 315.486 3.918 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000124677911 523848231 /nfs/dbraw/zinc/84/82/31/523848231.db2.gz LEMYFESSHSXMFT-GOEBONIOSA-N 2 2 315.486 3.918 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000124677911 523848240 /nfs/dbraw/zinc/84/82/40/523848240.db2.gz LEMYFESSHSXMFT-GOEBONIOSA-N 2 2 315.486 3.918 20 0 DHADLP C[C@@H]1CC[N@H+](CCSC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000337296909 524507080 /nfs/dbraw/zinc/50/70/80/524507080.db2.gz JXDMRCFMHXPOMS-WBVHZDCISA-N 2 2 307.507 3.832 20 0 DHADLP C[C@@H]1CC[N@@H+](CCSC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000337296909 524507087 /nfs/dbraw/zinc/50/70/87/524507087.db2.gz JXDMRCFMHXPOMS-WBVHZDCISA-N 2 2 307.507 3.832 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156562184 524512896 /nfs/dbraw/zinc/51/28/96/524512896.db2.gz SPPZCEGHQMFFDB-CJNGLKHVSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156562184 524512901 /nfs/dbraw/zinc/51/29/01/524512901.db2.gz SPPZCEGHQMFFDB-CJNGLKHVSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C(c2cccs2)c2cccs2)CC[N@@H+]1C ZINC000128106482 524804915 /nfs/dbraw/zinc/80/49/15/524804915.db2.gz WNSBZMUAGTUHSP-STQMWFEESA-N 2 2 306.500 3.971 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C(c2cccs2)c2cccs2)CC[N@H+]1C ZINC000128106482 524804929 /nfs/dbraw/zinc/80/49/29/524804929.db2.gz WNSBZMUAGTUHSP-STQMWFEESA-N 2 2 306.500 3.971 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)CCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000265837832 524902681 /nfs/dbraw/zinc/90/26/81/524902681.db2.gz MPYJDZSSUJEUBN-GOEBONIOSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)CCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000265837832 524902691 /nfs/dbraw/zinc/90/26/91/524902691.db2.gz MPYJDZSSUJEUBN-GOEBONIOSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)CCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000265837832 524902697 /nfs/dbraw/zinc/90/26/97/524902697.db2.gz MPYJDZSSUJEUBN-GOEBONIOSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)CCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000265837832 524902704 /nfs/dbraw/zinc/90/27/04/524902704.db2.gz MPYJDZSSUJEUBN-GOEBONIOSA-N 2 2 314.395 3.924 20 0 DHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cncs2)CC1 ZINC000162141205 525137698 /nfs/dbraw/zinc/13/76/98/525137698.db2.gz JZXQFELRLOIGET-HNNXBMFYSA-N 2 2 315.486 3.767 20 0 DHADLP Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(C)[nH+]1 ZINC000267988760 525236412 /nfs/dbraw/zinc/23/64/12/525236412.db2.gz IOUQLNWZHJPGLK-UHFFFAOYSA-N 2 2 309.413 3.547 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+]CC2=CCCOC2)CCCC1)c1ccccc1 ZINC000127454127 525284210 /nfs/dbraw/zinc/28/42/10/525284210.db2.gz KJEKREFNRFBQOS-KRWDZBQOSA-N 2 2 314.473 3.586 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1)c1cccnc1 ZINC000158468303 525295142 /nfs/dbraw/zinc/29/51/42/525295142.db2.gz PXAIYKATEFXTOR-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC(C)(C)C)cc1 ZINC000156702001 525348276 /nfs/dbraw/zinc/34/82/76/525348276.db2.gz DFUZTJXFWQUOHZ-HNNXBMFYSA-N 2 2 301.434 3.801 20 0 DHADLP Cc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267423860 525407420 /nfs/dbraw/zinc/40/74/20/525407420.db2.gz VCCVUTUOBOWJCE-INIZCTEOSA-N 2 2 306.413 3.769 20 0 DHADLP Cc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267423860 525407426 /nfs/dbraw/zinc/40/74/26/525407426.db2.gz VCCVUTUOBOWJCE-INIZCTEOSA-N 2 2 306.413 3.769 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccn1 ZINC000158894625 525413841 /nfs/dbraw/zinc/41/38/41/525413841.db2.gz MGBGEMMGLWOBLD-JKSUJKDBSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccn1 ZINC000158894625 525413844 /nfs/dbraw/zinc/41/38/44/525413844.db2.gz MGBGEMMGLWOBLD-JKSUJKDBSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1nccs1 ZINC000106249764 525538147 /nfs/dbraw/zinc/53/81/47/525538147.db2.gz SCBKSFRXIZDRGI-OAHLLOKOSA-N 2 2 315.486 3.980 20 0 DHADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccccc2o1 ZINC000182070333 525593035 /nfs/dbraw/zinc/59/30/35/525593035.db2.gz OJSKDTLEHANYME-XJKSGUPXSA-N 2 2 303.450 3.845 20 0 DHADLP C[C@@H]([NH2+][C@H](C)c1ccncc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338031478 525665005 /nfs/dbraw/zinc/66/50/05/525665005.db2.gz UMRHVXBXFUNFEZ-ZIAGYGMSSA-N 2 2 310.376 3.818 20 0 DHADLP Cc1ccc(-c2cnc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)o2)cc1 ZINC000266762914 525770982 /nfs/dbraw/zinc/77/09/82/525770982.db2.gz QPCQLDCAYPIGMP-UHFFFAOYSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1c([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cnn1C(C)C ZINC000191259060 525915618 /nfs/dbraw/zinc/91/56/18/525915618.db2.gz PUCJXCFAIORMMU-HNNXBMFYSA-N 2 2 315.465 3.710 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCc3sccc31)CCC2 ZINC000366210320 525936472 /nfs/dbraw/zinc/93/64/72/525936472.db2.gz OLIXZRGGQFIPNB-HIFRSBDPSA-N 2 2 301.459 3.798 20 0 DHADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156324040 526078609 /nfs/dbraw/zinc/07/86/09/526078609.db2.gz PCLPKEXRGLNYRF-DYVFJYSZSA-N 2 2 302.805 3.949 20 0 DHADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156324040 526078615 /nfs/dbraw/zinc/07/86/15/526078615.db2.gz PCLPKEXRGLNYRF-DYVFJYSZSA-N 2 2 302.805 3.949 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)[C@@H](C)C2 ZINC000180086778 526210771 /nfs/dbraw/zinc/21/07/71/526210771.db2.gz FBHUWWVOLXSBIY-HNAYVOBHSA-N 2 2 318.424 3.599 20 0 DHADLP Cc1ccc2cc(C[NH+]3CCC([N@H+]4CCC[C@H]4C)CC3)ccc2n1 ZINC000364847365 526228947 /nfs/dbraw/zinc/22/89/47/526228947.db2.gz MWQNVFGZNGPBRQ-QGZVFWFLSA-N 2 2 323.484 3.992 20 0 DHADLP Cc1ccc2cc(C[NH+]3CCC([N@@H+]4CCC[C@H]4C)CC3)ccc2n1 ZINC000364847365 526228953 /nfs/dbraw/zinc/22/89/53/526228953.db2.gz MWQNVFGZNGPBRQ-QGZVFWFLSA-N 2 2 323.484 3.992 20 0 DHADLP Fc1cccc(C[NH+]2CCC([NH2+]Cc3cccs3)CC2)c1 ZINC000156484706 526385439 /nfs/dbraw/zinc/38/54/39/526385439.db2.gz AURGTYFHOJLPTN-UHFFFAOYSA-N 2 2 304.434 3.641 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCC(C)(C)C)[C@H](C)C2)s1 ZINC000364840110 527257372 /nfs/dbraw/zinc/25/73/72/527257372.db2.gz MNPOKJDXACIRPU-CJNGLKHVSA-N 2 2 309.523 3.688 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCC(C)(C)C)[C@H](C)C2)s1 ZINC000364840110 527257377 /nfs/dbraw/zinc/25/73/77/527257377.db2.gz MNPOKJDXACIRPU-CJNGLKHVSA-N 2 2 309.523 3.688 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@H](C)CCC3CC3)[C@H](C)C2)s1 ZINC000364225709 527260575 /nfs/dbraw/zinc/26/05/75/527260575.db2.gz HQVGAKNUOXJUTQ-LBTNJELSSA-N 2 2 321.534 3.830 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@H](C)CCC3CC3)[C@H](C)C2)s1 ZINC000364225709 527260579 /nfs/dbraw/zinc/26/05/79/527260579.db2.gz HQVGAKNUOXJUTQ-LBTNJELSSA-N 2 2 321.534 3.830 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000367701042 527462104 /nfs/dbraw/zinc/46/21/04/527462104.db2.gz JWCQOTVCWDFDDJ-CQSZACIVSA-N 2 2 316.474 3.524 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000367701042 527462106 /nfs/dbraw/zinc/46/21/06/527462106.db2.gz JWCQOTVCWDFDDJ-CQSZACIVSA-N 2 2 316.474 3.524 20 0 DHADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000129660228 527678836 /nfs/dbraw/zinc/67/88/36/527678836.db2.gz FUZMRYUEKKNHMK-KBPBESRZSA-N 2 2 315.383 3.984 20 0 DHADLP CCOCCC1(C[NH2+]CCCc2c[nH+]ccc2C)CCCC1 ZINC000289075098 535485769 /nfs/dbraw/zinc/48/57/69/535485769.db2.gz ANHVVKVASKQGRU-UHFFFAOYSA-N 2 2 304.478 3.899 20 0 DHADLP Cc1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1C ZINC001164622627 719072312 /nfs/dbraw/zinc/07/23/12/719072312.db2.gz INWNYYQGXMMDAO-PMACEKPBSA-N 2 2 321.468 3.799 20 0 DHADLP Cc1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1C ZINC001164622627 719072318 /nfs/dbraw/zinc/07/23/18/719072318.db2.gz INWNYYQGXMMDAO-PMACEKPBSA-N 2 2 321.468 3.799 20 0 DHADLP Cc1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]c1C ZINC001164622639 719072412 /nfs/dbraw/zinc/07/24/12/719072412.db2.gz INWNYYQGXMMDAO-WOJBJXKFSA-N 2 2 321.468 3.799 20 0 DHADLP Cc1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]c1C ZINC001164622639 719072416 /nfs/dbraw/zinc/07/24/16/719072416.db2.gz INWNYYQGXMMDAO-WOJBJXKFSA-N 2 2 321.468 3.799 20 0 DHADLP Fc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965906 1013285558 /nfs/dbraw/zinc/28/55/58/1013285558.db2.gz PTTYYTNDZTZUPM-ALOPSCKCSA-N 2 2 322.855 3.974 20 0 DHADLP Fc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965906 1013285564 /nfs/dbraw/zinc/28/55/64/1013285564.db2.gz PTTYYTNDZTZUPM-ALOPSCKCSA-N 2 2 322.855 3.974 20 0 DHADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1OC(F)(F)F ZINC000340373615 1013526033 /nfs/dbraw/zinc/52/60/33/1013526033.db2.gz VJHZLNWOEMWBCW-AWEZNQCLSA-N 2 2 316.367 3.501 20 0 DHADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1OC(F)(F)F ZINC000340373615 1013526036 /nfs/dbraw/zinc/52/60/36/1013526036.db2.gz VJHZLNWOEMWBCW-AWEZNQCLSA-N 2 2 316.367 3.501 20 0 DHADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1OC(F)(F)F ZINC000340373615 1013526038 /nfs/dbraw/zinc/52/60/38/1013526038.db2.gz VJHZLNWOEMWBCW-AWEZNQCLSA-N 2 2 316.367 3.501 20 0 DHADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1OC(F)(F)F ZINC000340373615 1013526041 /nfs/dbraw/zinc/52/60/41/1013526041.db2.gz VJHZLNWOEMWBCW-AWEZNQCLSA-N 2 2 316.367 3.501 20 0 DHADLP CCCc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655703585 1013654914 /nfs/dbraw/zinc/65/49/14/1013654914.db2.gz IRAQDGVYPGUOFE-JXFKEZNVSA-N 2 2 316.489 3.543 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655847603 1013771881 /nfs/dbraw/zinc/77/18/81/1013771881.db2.gz CIGYBXHORVSEAM-JQHSSLGASA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655847603 1013771885 /nfs/dbraw/zinc/77/18/85/1013771885.db2.gz CIGYBXHORVSEAM-JQHSSLGASA-N 2 2 302.462 3.671 20 0 DHADLP Fc1ccc(C2CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000655848952 1013779017 /nfs/dbraw/zinc/77/90/17/1013779017.db2.gz MIDJONNYODGNNX-SOTJZCEJSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccc(C2CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000655848952 1013779022 /nfs/dbraw/zinc/77/90/22/1013779022.db2.gz MIDJONNYODGNNX-SOTJZCEJSA-N 2 2 302.437 3.678 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(Cl)ccc1OC(F)F ZINC000151949070 1019899852 /nfs/dbraw/zinc/89/98/52/1019899852.db2.gz WXHWUESUIQPGPM-SNVBAGLBSA-N 2 2 306.784 3.544 20 0 DHADLP C[NH2+]C[C@@H]1CC[N@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000071147399 1013834300 /nfs/dbraw/zinc/83/43/00/1013834300.db2.gz RVIHYAANBVTTGY-NSHDSACASA-N 2 2 319.301 3.627 20 0 DHADLP C[NH2+]C[C@@H]1CC[N@@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000071147399 1013834308 /nfs/dbraw/zinc/83/43/08/1013834308.db2.gz RVIHYAANBVTTGY-NSHDSACASA-N 2 2 319.301 3.627 20 0 DHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000189012039 1013907980 /nfs/dbraw/zinc/90/79/80/1013907980.db2.gz ONRCCHNAAOSPDV-UHFFFAOYSA-N 2 2 321.827 3.667 20 0 DHADLP Clc1ccccc1C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000645407002 1014369301 /nfs/dbraw/zinc/36/93/01/1014369301.db2.gz WQLGPUWVODGEBI-HKUYNNGSSA-N 2 2 318.892 3.735 20 0 DHADLP Clc1ccccc1C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000645407002 1014369314 /nfs/dbraw/zinc/36/93/14/1014369314.db2.gz WQLGPUWVODGEBI-HKUYNNGSSA-N 2 2 318.892 3.735 20 0 DHADLP C[C@H](Cc1cccs1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110561 1014434478 /nfs/dbraw/zinc/43/44/78/1014434478.db2.gz PDZRVQACJNVZJM-BZUAXINKSA-N 2 2 315.486 3.851 20 0 DHADLP CO[C@@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895116834 1014450409 /nfs/dbraw/zinc/45/04/09/1014450409.db2.gz URQVPRQSFQJMCJ-XLAORIBOSA-N 2 2 317.477 3.506 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCC[C@H]1CCc1ccccc1)CC2 ZINC000427853120 1014537940 /nfs/dbraw/zinc/53/79/40/1014537940.db2.gz HEVZSNSDATUOFP-GBESFXJTSA-N 2 2 309.457 3.589 20 0 DHADLP CC1(c2ccccc2)CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000427852290 1014539147 /nfs/dbraw/zinc/53/91/47/1014539147.db2.gz FMMAQQQINFOSIY-QPIRBTGLSA-N 2 2 309.457 3.688 20 0 DHADLP Cc1cc2cc([C@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)oc2cc1C ZINC000427861979 1014541604 /nfs/dbraw/zinc/54/16/04/1014541604.db2.gz UWEMDOIAZAEAFS-GOEBONIOSA-N 2 2 309.413 3.912 20 0 DHADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1F ZINC000427888488 1014547376 /nfs/dbraw/zinc/54/73/76/1014547376.db2.gz UAAANVQVSQHANN-CXAGYDPISA-N 2 2 321.827 3.977 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)cc(Cl)c1 ZINC000427883532 1014547478 /nfs/dbraw/zinc/54/74/78/1014547478.db2.gz FETDJORFZVDVHC-QMTHXVAHSA-N 2 2 310.228 3.856 20 0 DHADLP CC(C)Oc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1Cl ZINC000665279845 1014662401 /nfs/dbraw/zinc/66/24/01/1014662401.db2.gz NMNAIEDCVCRIAM-POZPTJLLSA-N 2 2 308.853 3.530 20 0 DHADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442781733 1014729098 /nfs/dbraw/zinc/72/90/98/1014729098.db2.gz PWGGKQSLXHCUAX-GDBMZVCRSA-N 2 2 314.395 3.883 20 0 DHADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442781733 1014729110 /nfs/dbraw/zinc/72/91/10/1014729110.db2.gz PWGGKQSLXHCUAX-GDBMZVCRSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000353935060 1014880099 /nfs/dbraw/zinc/88/00/99/1014880099.db2.gz ULKJNQAGTQTGRV-LPWJVIDDSA-N 2 2 309.866 3.768 20 0 DHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443651772 1015076146 /nfs/dbraw/zinc/07/61/46/1015076146.db2.gz JSVSOSXXDHZBSH-HOTGVXAUSA-N 2 2 322.880 3.668 20 0 DHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443651772 1015076159 /nfs/dbraw/zinc/07/61/59/1015076159.db2.gz JSVSOSXXDHZBSH-HOTGVXAUSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443651772 1015076168 /nfs/dbraw/zinc/07/61/68/1015076168.db2.gz JSVSOSXXDHZBSH-HOTGVXAUSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443651772 1015076177 /nfs/dbraw/zinc/07/61/77/1015076177.db2.gz JSVSOSXXDHZBSH-HOTGVXAUSA-N 2 2 322.880 3.668 20 0 DHADLP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000090401409 1015136429 /nfs/dbraw/zinc/13/64/29/1015136429.db2.gz GJOHCYLZOTWCKE-CQSZACIVSA-N 2 2 315.486 3.551 20 0 DHADLP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)s1 ZINC000090401409 1015136434 /nfs/dbraw/zinc/13/64/34/1015136434.db2.gz GJOHCYLZOTWCKE-CQSZACIVSA-N 2 2 315.486 3.551 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC(F)(F)C1 ZINC000895705773 1015264065 /nfs/dbraw/zinc/26/40/65/1015264065.db2.gz FVKSSBCOFWYIEK-XJKSGUPXSA-N 2 2 305.372 3.648 20 0 DHADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(C)nc3c2CCCC3)CC1 ZINC000895752711 1015290337 /nfs/dbraw/zinc/29/03/37/1015290337.db2.gz CUUKIVSYQLGWDD-UHFFFAOYSA-N 2 2 315.505 3.575 20 0 DHADLP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000090404703 1015295640 /nfs/dbraw/zinc/29/56/40/1015295640.db2.gz RNVIOELHABCVSC-LLVKDONJSA-N 2 2 316.405 3.627 20 0 DHADLP Fc1ccccc1C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000191691658 1015317813 /nfs/dbraw/zinc/31/78/13/1015317813.db2.gz GGGDQKURGUAVCD-FQEVSTJZSA-N 2 2 323.415 3.986 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000474468460 1015383739 /nfs/dbraw/zinc/38/37/39/1015383739.db2.gz AVIHTGFWEIASSG-BRWVUGGUSA-N 2 2 304.478 3.651 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000474468460 1015383750 /nfs/dbraw/zinc/38/37/50/1015383750.db2.gz AVIHTGFWEIASSG-BRWVUGGUSA-N 2 2 304.478 3.651 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000896057392 1015431455 /nfs/dbraw/zinc/43/14/55/1015431455.db2.gz FWEZYJVSWWESNR-UHFFFAOYSA-N 2 2 318.509 3.531 20 0 DHADLP C[C@@H]1C[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001168039555 1015497307 /nfs/dbraw/zinc/49/73/07/1015497307.db2.gz GLBCKCOFBCMNOO-XLAORIBOSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC001168039555 1015497310 /nfs/dbraw/zinc/49/73/10/1015497310.db2.gz GLBCKCOFBCMNOO-XLAORIBOSA-N 2 2 316.489 3.537 20 0 DHADLP C[NH+](C)CCC[N@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000581911302 1015523213 /nfs/dbraw/zinc/52/32/13/1015523213.db2.gz NHPOWLAZBLIFRJ-UHFFFAOYSA-N 2 2 322.399 3.825 20 0 DHADLP C[NH+](C)CCC[N@@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000581911302 1015523222 /nfs/dbraw/zinc/52/32/22/1015523222.db2.gz NHPOWLAZBLIFRJ-UHFFFAOYSA-N 2 2 322.399 3.825 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000535808774 1015836474 /nfs/dbraw/zinc/83/64/74/1015836474.db2.gz VQXQPIBVQHJISA-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000535808774 1015836482 /nfs/dbraw/zinc/83/64/82/1015836482.db2.gz VQXQPIBVQHJISA-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000535808774 1015836490 /nfs/dbraw/zinc/83/64/90/1015836490.db2.gz VQXQPIBVQHJISA-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000535808774 1015836499 /nfs/dbraw/zinc/83/64/99/1015836499.db2.gz VQXQPIBVQHJISA-RDTXWAMCSA-N 2 2 322.855 3.928 20 0 DHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000403690983 1016198523 /nfs/dbraw/zinc/19/85/23/1016198523.db2.gz LYYMILPEHACSOJ-PNFOFYCQSA-N 2 2 313.470 3.950 20 0 DHADLP Cc1cc(Cl)nc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000926359989 1016292700 /nfs/dbraw/zinc/29/27/00/1016292700.db2.gz FOHBDBRIGQANCV-UHFFFAOYSA-N 2 2 309.885 3.644 20 0 DHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCOC(C)(C)C2)CCC1 ZINC000387378329 1016422828 /nfs/dbraw/zinc/42/28/28/1016422828.db2.gz IWEIOIDYKPHHJO-SFHVURJKSA-N 2 2 316.489 3.588 20 0 DHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCOC(C)(C)C2)CCC1 ZINC000387378329 1016422837 /nfs/dbraw/zinc/42/28/37/1016422837.db2.gz IWEIOIDYKPHHJO-SFHVURJKSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000347010120 1016685799 /nfs/dbraw/zinc/68/57/99/1016685799.db2.gz FZALCEINQWIVCE-JSGCOSHPSA-N 2 2 319.449 3.508 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000347010120 1016685811 /nfs/dbraw/zinc/68/58/11/1016685811.db2.gz FZALCEINQWIVCE-JSGCOSHPSA-N 2 2 319.449 3.508 20 0 DHADLP CC[C@H]([NH3+])Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000629742303 1016687889 /nfs/dbraw/zinc/68/78/89/1016687889.db2.gz QODKOWUJFVBXJP-FQEVSTJZSA-N 2 2 305.425 3.878 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000172847908 1016739911 /nfs/dbraw/zinc/73/99/11/1016739911.db2.gz WAAYWJGVWDHTGP-AAEUAGOBSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000172847908 1016739920 /nfs/dbraw/zinc/73/99/20/1016739920.db2.gz WAAYWJGVWDHTGP-AAEUAGOBSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000172847908 1016739927 /nfs/dbraw/zinc/73/99/27/1016739927.db2.gz WAAYWJGVWDHTGP-AAEUAGOBSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000172847908 1016739938 /nfs/dbraw/zinc/73/99/38/1016739938.db2.gz WAAYWJGVWDHTGP-AAEUAGOBSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc2ccccc2o1 ZINC000152826540 1017023932 /nfs/dbraw/zinc/02/39/32/1017023932.db2.gz SHCUTOVPOACZTE-AWEZNQCLSA-N 2 2 309.413 3.859 20 0 DHADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001204782517 1017031631 /nfs/dbraw/zinc/03/16/31/1017031631.db2.gz HHBHMTCLQRAKSZ-GOSISDBHSA-N 2 2 300.833 3.930 20 0 DHADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001204782517 1017031642 /nfs/dbraw/zinc/03/16/42/1017031642.db2.gz HHBHMTCLQRAKSZ-GOSISDBHSA-N 2 2 300.833 3.930 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623445392 1017050379 /nfs/dbraw/zinc/05/03/79/1017050379.db2.gz OZSROIMULXBOLX-CQSZACIVSA-N 2 2 312.404 3.559 20 0 DHADLP C[C@@H]1C[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)CO1 ZINC001168057785 1017046624 /nfs/dbraw/zinc/04/66/24/1017046624.db2.gz NTXYTSLHTUMTAA-BRSBDYLESA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)CO1 ZINC001168057785 1017046633 /nfs/dbraw/zinc/04/66/33/1017046633.db2.gz NTXYTSLHTUMTAA-BRSBDYLESA-N 2 2 316.489 3.537 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623445392 1017050365 /nfs/dbraw/zinc/05/03/65/1017050365.db2.gz OZSROIMULXBOLX-CQSZACIVSA-N 2 2 312.404 3.559 20 0 DHADLP FC(F)(F)c1cc(C[NH2+]CCCNc2cccc[nH+]2)cs1 ZINC000623441746 1017050215 /nfs/dbraw/zinc/05/02/15/1017050215.db2.gz HNVXQWNOSNYXBO-UHFFFAOYSA-N 2 2 315.364 3.754 20 0 DHADLP FC(F)(F)c1sccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000623441919 1017051031 /nfs/dbraw/zinc/05/10/31/1017051031.db2.gz PKANZPFRJHDEFC-UHFFFAOYSA-N 2 2 315.364 3.754 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000090004178 1032380122 /nfs/dbraw/zinc/38/01/22/1032380122.db2.gz LLXXVSAKYPLGGK-KBXCAEBGSA-N 2 2 313.420 3.501 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000090004178 1032380135 /nfs/dbraw/zinc/38/01/35/1032380135.db2.gz LLXXVSAKYPLGGK-KBXCAEBGSA-N 2 2 313.420 3.501 20 0 DHADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090762848 1032417883 /nfs/dbraw/zinc/41/78/83/1032417883.db2.gz DTFIRGKSUQRZSL-ZIAGYGMSSA-N 2 2 324.428 3.931 20 0 DHADLP CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090810325 1032419921 /nfs/dbraw/zinc/41/99/21/1032419921.db2.gz FVPJJTHEPGKZSI-YJBOKZPZSA-N 2 2 315.461 3.566 20 0 DHADLP c1coc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000092043774 1032472663 /nfs/dbraw/zinc/47/26/63/1032472663.db2.gz PJFVUULDQSPXHT-QUCCMNQESA-N 2 2 310.441 3.766 20 0 DHADLP c1coc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000092043774 1032472667 /nfs/dbraw/zinc/47/26/67/1032472667.db2.gz PJFVUULDQSPXHT-QUCCMNQESA-N 2 2 310.441 3.766 20 0 DHADLP c1coc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000092043774 1032472671 /nfs/dbraw/zinc/47/26/71/1032472671.db2.gz PJFVUULDQSPXHT-QUCCMNQESA-N 2 2 310.441 3.766 20 0 DHADLP c1coc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000092043774 1032472676 /nfs/dbraw/zinc/47/26/76/1032472676.db2.gz PJFVUULDQSPXHT-QUCCMNQESA-N 2 2 310.441 3.766 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171345501 1032504914 /nfs/dbraw/zinc/50/49/14/1032504914.db2.gz JLXUERFNUBVJPQ-PBHICJAKSA-N 2 2 322.443 3.532 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000093318466 1032530859 /nfs/dbraw/zinc/53/08/59/1032530859.db2.gz MBBBWIJKKMNZCK-XLIONFOSSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000093318466 1032530866 /nfs/dbraw/zinc/53/08/66/1032530866.db2.gz MBBBWIJKKMNZCK-XLIONFOSSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(O)c2)CC[NH+]1Cc1ccccc1 ZINC000093318466 1032530873 /nfs/dbraw/zinc/53/08/73/1032530873.db2.gz MBBBWIJKKMNZCK-XLIONFOSSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(O)c2)CC[NH+]1Cc1ccccc1 ZINC000093318466 1032530878 /nfs/dbraw/zinc/53/08/78/1032530878.db2.gz MBBBWIJKKMNZCK-XLIONFOSSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(C3CCCC3)s2)CC[N@@H+]1C ZINC000093644001 1032549775 /nfs/dbraw/zinc/54/97/75/1032549775.db2.gz ZHMNTGGYMGMLCT-HIFRSBDPSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(C3CCCC3)s2)CC[N@H+]1C ZINC000093644001 1032549782 /nfs/dbraw/zinc/54/97/82/1032549782.db2.gz ZHMNTGGYMGMLCT-HIFRSBDPSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(C3CCCC3)s2)CC[NH+]1C ZINC000093644001 1032549788 /nfs/dbraw/zinc/54/97/88/1032549788.db2.gz ZHMNTGGYMGMLCT-HIFRSBDPSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(C3CCCC3)s2)CC[NH+]1C ZINC000093644001 1032549795 /nfs/dbraw/zinc/54/97/95/1032549795.db2.gz ZHMNTGGYMGMLCT-HIFRSBDPSA-N 2 2 307.507 3.715 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000424270117 1011967090 /nfs/dbraw/zinc/96/70/90/1011967090.db2.gz QBKLEYKMGVYQER-MELADBBJSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000424270117 1011967105 /nfs/dbraw/zinc/96/71/05/1011967105.db2.gz QBKLEYKMGVYQER-MELADBBJSA-N 2 2 308.853 3.626 20 0 DHADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000424364718 1012002708 /nfs/dbraw/zinc/00/27/08/1012002708.db2.gz FDHGWTVGZJBPLK-CHWSQXEVSA-N 2 2 306.759 3.718 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Br)ccc1F ZINC000424374782 1012012844 /nfs/dbraw/zinc/01/28/44/1012012844.db2.gz LQSDXSHQPHLSME-OWYVNGRQSA-N 2 2 315.230 3.509 20 0 DHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000036932130 1012706794 /nfs/dbraw/zinc/70/67/94/1012706794.db2.gz ZATPZWGMCDIMSB-HNNXBMFYSA-N 2 2 301.459 3.853 20 0 DHADLP C[C@H](C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1)C(F)(F)F ZINC001208886969 1012740048 /nfs/dbraw/zinc/74/00/48/1012740048.db2.gz GKMWMRDWIKJFGQ-CYBMUJFWSA-N 2 2 304.400 3.525 20 0 DHADLP C[C@H](C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1)C(F)(F)F ZINC001208886969 1012740063 /nfs/dbraw/zinc/74/00/63/1012740063.db2.gz GKMWMRDWIKJFGQ-CYBMUJFWSA-N 2 2 304.400 3.525 20 0 DHADLP Cc1ccc(-c2cc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)on2)cc1 ZINC000123763253 1032660877 /nfs/dbraw/zinc/66/08/77/1032660877.db2.gz RCICKZJPNUIYCE-WBVHZDCISA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)on2)cc1 ZINC000123763253 1032660885 /nfs/dbraw/zinc/66/08/85/1032660885.db2.gz RCICKZJPNUIYCE-WBVHZDCISA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)on2)cc1 ZINC000123763253 1032660898 /nfs/dbraw/zinc/66/08/98/1032660898.db2.gz RCICKZJPNUIYCE-WBVHZDCISA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)on2)cc1 ZINC000123763253 1032660913 /nfs/dbraw/zinc/66/09/13/1032660913.db2.gz RCICKZJPNUIYCE-WBVHZDCISA-N 2 2 313.445 3.565 20 0 DHADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000037157150 1012854726 /nfs/dbraw/zinc/85/47/26/1012854726.db2.gz LKXZGLRTDHAPGW-SWLSCSKDSA-N 2 2 322.250 3.775 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000037320290 1013004572 /nfs/dbraw/zinc/00/45/72/1013004572.db2.gz PFJUTLHPTWVMID-WFASDCNBSA-N 2 2 322.250 3.775 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000657522491 1017166236 /nfs/dbraw/zinc/16/62/36/1017166236.db2.gz BTUMZXQJNIAWAM-AWEZNQCLSA-N 2 2 317.864 3.851 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000657522491 1017166244 /nfs/dbraw/zinc/16/62/44/1017166244.db2.gz BTUMZXQJNIAWAM-AWEZNQCLSA-N 2 2 317.864 3.851 20 0 DHADLP CC[C@H]1COCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063271 1017193848 /nfs/dbraw/zinc/19/38/48/1017193848.db2.gz MOUAUPFXSBCAGT-HNJRGHQBSA-N 2 2 316.489 3.539 20 0 DHADLP CC[C@H]1COCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063271 1017193855 /nfs/dbraw/zinc/19/38/55/1017193855.db2.gz MOUAUPFXSBCAGT-HNJRGHQBSA-N 2 2 316.489 3.539 20 0 DHADLP CC[C@H]1COCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168063271 1017193866 /nfs/dbraw/zinc/19/38/66/1017193866.db2.gz MOUAUPFXSBCAGT-HNJRGHQBSA-N 2 2 316.489 3.539 20 0 DHADLP Fc1cccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CCCC2)c1 ZINC000179675118 1017284243 /nfs/dbraw/zinc/28/42/43/1017284243.db2.gz HOWROPQWFQVLCH-GOSISDBHSA-N 2 2 301.409 3.933 20 0 DHADLP c1cn2c(cccc2C[N@@H+]2CCSC3(CCCCC3)C2)[nH+]1 ZINC000180494105 1017467423 /nfs/dbraw/zinc/46/74/23/1017467423.db2.gz SGRFMMFALCAYPO-UHFFFAOYSA-N 2 2 301.459 3.586 20 0 DHADLP c1cn2c(cccc2C[N@H+]2CCSC3(CCCCC3)C2)[nH+]1 ZINC000180494105 1017467426 /nfs/dbraw/zinc/46/74/26/1017467426.db2.gz SGRFMMFALCAYPO-UHFFFAOYSA-N 2 2 301.459 3.586 20 0 DHADLP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCCc3scnc32)ccc1F ZINC000623895140 1017561532 /nfs/dbraw/zinc/56/15/32/1017561532.db2.gz JNHZFEPXBJSAEB-OAHLLOKOSA-N 2 2 319.449 3.511 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857901893 1032709525 /nfs/dbraw/zinc/70/95/25/1032709525.db2.gz NTQQARGFBTVZRP-KBPBESRZSA-N 2 2 318.852 3.623 20 0 DHADLP C[C@H]([NH2+][C@H]1CCCc2scnc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000623957817 1017606415 /nfs/dbraw/zinc/60/64/15/1017606415.db2.gz WIHPMAGIRPADIX-LZWOXQAQSA-N 2 2 319.518 3.763 20 0 DHADLP C[C@H]([NH2+][C@H]1CCCc2scnc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000623957817 1017606418 /nfs/dbraw/zinc/60/64/18/1017606418.db2.gz WIHPMAGIRPADIX-LZWOXQAQSA-N 2 2 319.518 3.763 20 0 DHADLP Cc1ccc(C[NH+]2CCCCC2)cc1NCc1cc[nH+]c(N)c1 ZINC001167619302 1017635149 /nfs/dbraw/zinc/63/51/49/1017635149.db2.gz XYRFWPFWYHZCFS-UHFFFAOYSA-N 2 2 310.445 3.570 20 0 DHADLP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000624068210 1017664835 /nfs/dbraw/zinc/66/48/35/1017664835.db2.gz OPCIBPVJJJXZRW-PMACEKPBSA-N 2 2 321.468 3.832 20 0 DHADLP CC1(C)CC([NH3+])CC(C)(C)N1c1cc2cc(F)ccc2c[nH+]1 ZINC001167624918 1017710248 /nfs/dbraw/zinc/71/02/48/1017710248.db2.gz DCHOFDAHIOYLDI-UHFFFAOYSA-N 2 2 301.409 3.859 20 0 DHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)cc2c1OCC2 ZINC000897339826 1017851730 /nfs/dbraw/zinc/85/17/30/1017851730.db2.gz OQXCMJYSBUCYHK-GVZPALNKSA-N 2 2 320.864 3.551 20 0 DHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Cl)cc2c1OCC2 ZINC000897339826 1017851754 /nfs/dbraw/zinc/85/17/54/1017851754.db2.gz OQXCMJYSBUCYHK-GVZPALNKSA-N 2 2 320.864 3.551 20 0 DHADLP c1cn(CCC[NH+]2Cc3ccccc3-c3ccccc3C2)c[nH+]1 ZINC000183171108 1017998958 /nfs/dbraw/zinc/99/89/58/1017998958.db2.gz OUTVVQVNLIYUKG-UHFFFAOYSA-N 2 2 303.409 3.956 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658093272 1018068236 /nfs/dbraw/zinc/06/82/36/1018068236.db2.gz UEMUIEADAOWOMN-HLLBOEOZSA-N 2 2 304.478 3.650 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658093272 1018068244 /nfs/dbraw/zinc/06/82/44/1018068244.db2.gz UEMUIEADAOWOMN-HLLBOEOZSA-N 2 2 304.478 3.650 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000343103281 1018170046 /nfs/dbraw/zinc/17/00/46/1018170046.db2.gz ODLYYAYSZRPZFL-INIZCTEOSA-N 2 2 301.821 3.814 20 0 DHADLP COc1cccc2c1CCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000194909448 1018215379 /nfs/dbraw/zinc/21/53/79/1018215379.db2.gz FVCMTLJWUHJDNS-KRWDZBQOSA-N 2 2 311.429 3.559 20 0 DHADLP CO[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000154963911 1018227039 /nfs/dbraw/zinc/22/70/39/1018227039.db2.gz GJPFLSKXYBAYFV-PBHICJAKSA-N 2 2 301.434 3.584 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155145553 1018251683 /nfs/dbraw/zinc/25/16/83/1018251683.db2.gz UBJYOBBMHZFUNT-PBHICJAKSA-N 2 2 313.445 3.869 20 0 DHADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C)CC1 ZINC000446834259 1018263021 /nfs/dbraw/zinc/26/30/21/1018263021.db2.gz JXJOIZUJMCUGLQ-OAHLLOKOSA-N 2 2 300.368 3.672 20 0 DHADLP Cc1[nH]c(C[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)c(C)[nH+]1 ZINC001168532747 1018329123 /nfs/dbraw/zinc/32/91/23/1018329123.db2.gz WGVKGHYIMKYROC-KRWDZBQOSA-N 2 2 319.424 3.749 20 0 DHADLP Cc1[nH]c(C[NH2+][C@H](COc2ccccc2F)C(C)(C)C)c(C)[nH+]1 ZINC001168532756 1018329475 /nfs/dbraw/zinc/32/94/75/1018329475.db2.gz WGVKGHYIMKYROC-QGZVFWFLSA-N 2 2 319.424 3.749 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H](Cc1ccccc1)C1CCCCC1)CC2 ZINC000427849669 1018338651 /nfs/dbraw/zinc/33/86/51/1018338651.db2.gz FZCOKDLBDIMYOM-UXHICEINSA-N 2 2 323.484 3.979 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000525708553 1018356691 /nfs/dbraw/zinc/35/66/91/1018356691.db2.gz YIHRVDKPINNNEB-UKRRQHHQSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000525708553 1018356704 /nfs/dbraw/zinc/35/67/04/1018356704.db2.gz YIHRVDKPINNNEB-UKRRQHHQSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(Cl)c1 ZINC000447311901 1018368466 /nfs/dbraw/zinc/36/84/66/1018368466.db2.gz DLLYWYBEVZOYNM-INIZCTEOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(Cl)c1 ZINC000447311901 1018368477 /nfs/dbraw/zinc/36/84/77/1018368477.db2.gz DLLYWYBEVZOYNM-INIZCTEOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(Cl)c1 ZINC000447311901 1018368499 /nfs/dbraw/zinc/36/84/99/1018368499.db2.gz DLLYWYBEVZOYNM-INIZCTEOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(Cl)c1 ZINC000447311901 1018368512 /nfs/dbraw/zinc/36/85/12/1018368512.db2.gz DLLYWYBEVZOYNM-INIZCTEOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)o1 ZINC000447560721 1018425462 /nfs/dbraw/zinc/42/54/62/1018425462.db2.gz FHOSLKCWXYNNSZ-OAHLLOKOSA-N 2 2 309.413 3.992 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CC1(C)C ZINC000785478645 1018478172 /nfs/dbraw/zinc/47/81/72/1018478172.db2.gz XWSBJOZILBGVRS-HNAYVOBHSA-N 2 2 315.505 3.746 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000343271926 1018536491 /nfs/dbraw/zinc/53/64/91/1018536491.db2.gz SGIWUZROYPMAFK-LBPRGKRZSA-N 2 2 317.339 3.600 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000675833572 1018605565 /nfs/dbraw/zinc/60/55/65/1018605565.db2.gz MOMFZATZMVRQMB-HRAATJIYSA-N 2 2 321.468 3.884 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000675833572 1018605567 /nfs/dbraw/zinc/60/55/67/1018605567.db2.gz MOMFZATZMVRQMB-HRAATJIYSA-N 2 2 321.468 3.884 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000675928731 1018627477 /nfs/dbraw/zinc/62/74/77/1018627477.db2.gz WDRCLOALJITRJT-CVEARBPZSA-N 2 2 306.413 3.722 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000858139539 1032777510 /nfs/dbraw/zinc/77/75/10/1032777510.db2.gz VDYPFMZMXNYUEW-OAHLLOKOSA-N 2 2 313.420 3.536 20 0 DHADLP CCc1nc(C)c([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000765254095 1018736698 /nfs/dbraw/zinc/73/66/98/1018736698.db2.gz WNNBBXAIDVOOBR-OCCSQVGLSA-N 2 2 320.506 3.976 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCC(C(F)(F)F)CC1 ZINC000354653563 1018842336 /nfs/dbraw/zinc/84/23/36/1018842336.db2.gz SDENBPQMPJCPRO-RYSNWHEDSA-N 2 2 315.383 3.545 20 0 DHADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+](CC)CC)CCO1 ZINC000315895786 1018860979 /nfs/dbraw/zinc/86/09/79/1018860979.db2.gz BYGKAYVRDPZIPK-GUDVDZBRSA-N 2 2 304.478 3.617 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c(F)c1 ZINC000386316571 1018910516 /nfs/dbraw/zinc/91/05/16/1018910516.db2.gz VEVKOBPXANHJLC-HNNXBMFYSA-N 2 2 308.441 3.607 20 0 DHADLP Cc1nc(C)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000278631801 1018955026 /nfs/dbraw/zinc/95/50/26/1018955026.db2.gz IIFLZMYOGDKIEU-UHFFFAOYSA-N 2 2 317.458 3.507 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000159156231 1019009325 /nfs/dbraw/zinc/00/93/25/1019009325.db2.gz GCDWKDHMUHDYKK-DLBZAZTESA-N 2 2 309.457 3.958 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(C(F)(F)F)c2)[C@H](C)C1 ZINC000628183275 1019065788 /nfs/dbraw/zinc/06/57/88/1019065788.db2.gz VUESPBWOXMEMTF-DGCLKSJQSA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(C(F)(F)F)c2)[C@H](C)C1 ZINC000628183275 1019065804 /nfs/dbraw/zinc/06/58/04/1019065804.db2.gz VUESPBWOXMEMTF-DGCLKSJQSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)[C@H](C)C1 ZINC000628183275 1019065812 /nfs/dbraw/zinc/06/58/12/1019065812.db2.gz VUESPBWOXMEMTF-DGCLKSJQSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)[C@H](C)C1 ZINC000628183275 1019065826 /nfs/dbraw/zinc/06/58/26/1019065826.db2.gz VUESPBWOXMEMTF-DGCLKSJQSA-N 2 2 320.424 3.929 20 0 DHADLP Cc1ccc(SCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000080958652 1019133514 /nfs/dbraw/zinc/13/35/14/1019133514.db2.gz KRMMFSHPGQACCG-MRXNPFEDSA-N 2 2 315.486 3.998 20 0 DHADLP Cc1ccc(SCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000080958652 1019133527 /nfs/dbraw/zinc/13/35/27/1019133527.db2.gz KRMMFSHPGQACCG-MRXNPFEDSA-N 2 2 315.486 3.998 20 0 DHADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1SC ZINC000080984329 1019141162 /nfs/dbraw/zinc/14/11/62/1019141162.db2.gz YECVIUGERQQAGR-CQSZACIVSA-N 2 2 317.458 3.520 20 0 DHADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1SC ZINC000080984329 1019141169 /nfs/dbraw/zinc/14/11/69/1019141169.db2.gz YECVIUGERQQAGR-CQSZACIVSA-N 2 2 317.458 3.520 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000921981287 1019262169 /nfs/dbraw/zinc/26/21/69/1019262169.db2.gz RXPFOVVFKLHXKF-CABCVRRESA-N 2 2 321.896 3.786 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000921981287 1019262174 /nfs/dbraw/zinc/26/21/74/1019262174.db2.gz RXPFOVVFKLHXKF-CABCVRRESA-N 2 2 321.896 3.786 20 0 DHADLP c1sc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)nc1-c1ccccc1 ZINC000666998152 1032820963 /nfs/dbraw/zinc/82/09/63/1032820963.db2.gz FHZHXTMERWFUBP-OAHLLOKOSA-N 2 2 313.470 3.574 20 0 DHADLP Cc1c(Cl)ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000922017625 1019321173 /nfs/dbraw/zinc/32/11/73/1019321173.db2.gz UDSAPDOIBFORLJ-LBPRGKRZSA-N 2 2 310.228 3.603 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccnc1 ZINC000091306992 1019455959 /nfs/dbraw/zinc/45/59/59/1019455959.db2.gz JKHQIJYVFQTZBF-LJQANCHMSA-N 2 2 306.413 3.754 20 0 DHADLP CCOC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000657880444 1019731548 /nfs/dbraw/zinc/73/15/48/1019731548.db2.gz BWUBXIBPEMXIAP-GPJFCIFZSA-N 2 2 316.489 3.588 20 0 DHADLP CCOC1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000657880444 1019731573 /nfs/dbraw/zinc/73/15/73/1019731573.db2.gz BWUBXIBPEMXIAP-GPJFCIFZSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657880971 1019735508 /nfs/dbraw/zinc/73/55/08/1019735508.db2.gz LQNINEXZHOAQOV-RDJZCZTQSA-N 2 2 306.519 3.991 20 0 DHADLP C[C@H](C[NH2+]CC1([NH+](C)C)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000685428830 1019817838 /nfs/dbraw/zinc/81/78/38/1019817838.db2.gz BCYXYORFASSCMQ-CYBMUJFWSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@@H](C[NH2+]CC1([NH+](C)C)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000685428831 1019819352 /nfs/dbraw/zinc/81/93/52/1019819352.db2.gz BCYXYORFASSCMQ-ZDUSSCGKSA-N 2 2 314.395 3.883 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1c(Cl)ccc2cccnc21 ZINC000685459993 1019841881 /nfs/dbraw/zinc/84/18/81/1019841881.db2.gz SYHQNQRBJNXRDP-UHFFFAOYSA-N 2 2 305.853 3.662 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(Cl)ccc2cccnc21 ZINC000685459993 1019841898 /nfs/dbraw/zinc/84/18/98/1019841898.db2.gz SYHQNQRBJNXRDP-UHFFFAOYSA-N 2 2 305.853 3.662 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470391 1019851924 /nfs/dbraw/zinc/85/19/24/1019851924.db2.gz KFRJIGXFKNMKID-PWSUYJOCSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470391 1019851941 /nfs/dbraw/zinc/85/19/41/1019851941.db2.gz KFRJIGXFKNMKID-PWSUYJOCSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470391 1019851958 /nfs/dbraw/zinc/85/19/58/1019851958.db2.gz KFRJIGXFKNMKID-PWSUYJOCSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470391 1019851909 /nfs/dbraw/zinc/85/19/09/1019851909.db2.gz KFRJIGXFKNMKID-PWSUYJOCSA-N 2 2 306.397 3.539 20 0 DHADLP Oc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000685468016 1019853190 /nfs/dbraw/zinc/85/31/90/1019853190.db2.gz AITWZGKXFOZFTB-UXHICEINSA-N 2 2 319.408 3.607 20 0 DHADLP Clc1cccc2c1C[C@H]([NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC001168717787 1019940360 /nfs/dbraw/zinc/94/03/60/1019940360.db2.gz JQZMTSUMXGJYOH-QGZVFWFLSA-N 2 2 318.892 3.758 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000360046624 1020052422 /nfs/dbraw/zinc/05/24/22/1020052422.db2.gz QXPPYLMIBHTVCH-SMDDNHRTSA-N 2 2 307.850 3.752 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCCSCC1)C1CC1 ZINC000657981937 1020063430 /nfs/dbraw/zinc/06/34/30/1020063430.db2.gz WTNXSZCHYHKKOU-OALUTQOASA-N 2 2 318.530 3.772 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCCSCC1)C1CC1 ZINC000657981937 1020063440 /nfs/dbraw/zinc/06/34/40/1020063440.db2.gz WTNXSZCHYHKKOU-OALUTQOASA-N 2 2 318.530 3.772 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000658060029 1020110398 /nfs/dbraw/zinc/11/03/98/1020110398.db2.gz CNMUEUALLHGEAS-CVEARBPZSA-N 2 2 306.413 3.722 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000658090160 1020135976 /nfs/dbraw/zinc/13/59/76/1020135976.db2.gz FDAWZIZHDMTSHX-JKSUJKDBSA-N 2 2 320.477 3.617 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000658090160 1020135982 /nfs/dbraw/zinc/13/59/82/1020135982.db2.gz FDAWZIZHDMTSHX-JKSUJKDBSA-N 2 2 320.477 3.617 20 0 DHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090567 1020137642 /nfs/dbraw/zinc/13/76/42/1020137642.db2.gz HVMBLOAFUKQRDH-CRAIPNDOSA-N 2 2 302.462 3.535 20 0 DHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090567 1020137649 /nfs/dbraw/zinc/13/76/49/1020137649.db2.gz HVMBLOAFUKQRDH-CRAIPNDOSA-N 2 2 302.462 3.535 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658095282 1020140801 /nfs/dbraw/zinc/14/08/01/1020140801.db2.gz FZPMAYGGNDFRMM-IWKCEXAMSA-N 2 2 316.489 3.650 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658095282 1020140804 /nfs/dbraw/zinc/14/08/04/1020140804.db2.gz FZPMAYGGNDFRMM-IWKCEXAMSA-N 2 2 316.489 3.650 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000347727076 1020189142 /nfs/dbraw/zinc/18/91/42/1020189142.db2.gz ATLDUEJEUDHFTK-OAQYLSRUSA-N 2 2 317.436 3.610 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000347727076 1020189152 /nfs/dbraw/zinc/18/91/52/1020189152.db2.gz ATLDUEJEUDHFTK-OAQYLSRUSA-N 2 2 317.436 3.610 20 0 DHADLP Cc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000658292456 1020286806 /nfs/dbraw/zinc/28/68/06/1020286806.db2.gz YAOSOUDALXCRGF-IEBWSBKVSA-N 2 2 316.489 3.516 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429006202 1020306386 /nfs/dbraw/zinc/30/63/86/1020306386.db2.gz NCJPNFHLRMZEEW-BBRMVZONSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429006202 1020306396 /nfs/dbraw/zinc/30/63/96/1020306396.db2.gz NCJPNFHLRMZEEW-BBRMVZONSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429006202 1020306403 /nfs/dbraw/zinc/30/64/03/1020306403.db2.gz NCJPNFHLRMZEEW-BBRMVZONSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429006202 1020306412 /nfs/dbraw/zinc/30/64/12/1020306412.db2.gz NCJPNFHLRMZEEW-BBRMVZONSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429006203 1020307350 /nfs/dbraw/zinc/30/73/50/1020307350.db2.gz NCJPNFHLRMZEEW-CJNGLKHVSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429006203 1020307362 /nfs/dbraw/zinc/30/73/62/1020307362.db2.gz NCJPNFHLRMZEEW-CJNGLKHVSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429006203 1020307373 /nfs/dbraw/zinc/30/73/73/1020307373.db2.gz NCJPNFHLRMZEEW-CJNGLKHVSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@H](c1cccc(Br)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429006203 1020307383 /nfs/dbraw/zinc/30/73/83/1020307383.db2.gz NCJPNFHLRMZEEW-CJNGLKHVSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCCC1 ZINC000766003919 1020338410 /nfs/dbraw/zinc/33/84/10/1020338410.db2.gz QEIUOGCQONBDCK-MRXNPFEDSA-N 2 2 315.505 3.890 20 0 DHADLP FC(F)c1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000348042873 1020490459 /nfs/dbraw/zinc/49/04/59/1020490459.db2.gz ZZNCZQNHPFOULT-MRXNPFEDSA-N 2 2 304.340 3.673 20 0 DHADLP FC(F)c1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000348042873 1020490464 /nfs/dbraw/zinc/49/04/64/1020490464.db2.gz ZZNCZQNHPFOULT-MRXNPFEDSA-N 2 2 304.340 3.673 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000350087177 1020498909 /nfs/dbraw/zinc/49/89/09/1020498909.db2.gz DPENPJBQYGZAKU-WBVHZDCISA-N 2 2 310.526 3.680 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000353933962 1020577656 /nfs/dbraw/zinc/57/76/56/1020577656.db2.gz XJIKAHYONPBKSK-IWMBGFJWSA-N 2 2 303.372 3.618 20 0 DHADLP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347860172 1020605141 /nfs/dbraw/zinc/60/51/41/1020605141.db2.gz RLMTZFZMLUTFOT-GDBMZVCRSA-N 2 2 315.486 3.583 20 0 DHADLP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347860172 1020605143 /nfs/dbraw/zinc/60/51/43/1020605143.db2.gz RLMTZFZMLUTFOT-GDBMZVCRSA-N 2 2 315.486 3.583 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[NH+]1CCCCC1 ZINC001171957755 1032922351 /nfs/dbraw/zinc/92/23/51/1032922351.db2.gz CHOHXKNUBQRVFJ-CQSZACIVSA-N 2 2 314.395 3.712 20 0 DHADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414063581 1020836901 /nfs/dbraw/zinc/83/69/01/1020836901.db2.gz DXSSEJKLGJGQRU-LSDHHAIUSA-N 2 2 315.486 3.803 20 0 DHADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414063581 1020836910 /nfs/dbraw/zinc/83/69/10/1020836910.db2.gz DXSSEJKLGJGQRU-LSDHHAIUSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc2c(c1)CCCO2 ZINC000858533858 1032935565 /nfs/dbraw/zinc/93/55/65/1032935565.db2.gz UOEFQBPFMJSZIF-KXBFYZLASA-N 2 2 314.473 3.679 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc2c(c1)CCCO2 ZINC000858533858 1032935577 /nfs/dbraw/zinc/93/55/77/1032935577.db2.gz UOEFQBPFMJSZIF-KXBFYZLASA-N 2 2 314.473 3.679 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(C)c1 ZINC000414117917 1020909986 /nfs/dbraw/zinc/90/99/86/1020909986.db2.gz SZZFLOYHWLXSIV-JKSUJKDBSA-N 2 2 313.445 3.737 20 0 DHADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282487882 1020949379 /nfs/dbraw/zinc/94/93/79/1020949379.db2.gz MHKSJLSDYGXJCU-HXUWFJFHSA-N 2 2 323.484 3.780 20 0 DHADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282487882 1020949386 /nfs/dbraw/zinc/94/93/86/1020949386.db2.gz MHKSJLSDYGXJCU-HXUWFJFHSA-N 2 2 323.484 3.780 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000414196443 1020983578 /nfs/dbraw/zinc/98/35/78/1020983578.db2.gz OWOSFWDVPSBXKV-HOCLYGCPSA-N 2 2 318.427 3.819 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+]CC[N@@H+]3CCC[C@H]3C)ccc2c1 ZINC000766269331 1021000842 /nfs/dbraw/zinc/00/08/42/1021000842.db2.gz OIWKSZCJRATGTN-CVEARBPZSA-N 2 2 312.457 3.983 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+]CC[N@H+]3CCC[C@H]3C)ccc2c1 ZINC000766269331 1021000845 /nfs/dbraw/zinc/00/08/45/1021000845.db2.gz OIWKSZCJRATGTN-CVEARBPZSA-N 2 2 312.457 3.983 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccns1 ZINC000858576153 1032951632 /nfs/dbraw/zinc/95/16/32/1032951632.db2.gz IDTBNJZXZFQEDJ-OFQRWUPVSA-N 2 2 307.507 3.837 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000742378569 1021115306 /nfs/dbraw/zinc/11/53/06/1021115306.db2.gz VAHGQPJBDNARTH-SJLPKXTDSA-N 2 2 315.505 3.890 20 0 DHADLP CC1CCC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000742377861 1021115719 /nfs/dbraw/zinc/11/57/19/1021115719.db2.gz JYPHVWRVIJAKLG-UHFFFAOYSA-N 2 2 315.505 3.890 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000134394972 1021148605 /nfs/dbraw/zinc/14/86/05/1021148605.db2.gz MKPLPVZNUXKSBA-IEBWSBKVSA-N 2 2 309.457 3.533 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000134394972 1021148609 /nfs/dbraw/zinc/14/86/09/1021148609.db2.gz MKPLPVZNUXKSBA-IEBWSBKVSA-N 2 2 309.457 3.533 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccno1 ZINC001171975994 1032962804 /nfs/dbraw/zinc/96/28/04/1032962804.db2.gz HIFYLOPSWOEKTL-NVXWUHKLSA-N 2 2 313.445 3.768 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccno1 ZINC001171975994 1032962812 /nfs/dbraw/zinc/96/28/12/1032962812.db2.gz HIFYLOPSWOEKTL-NVXWUHKLSA-N 2 2 313.445 3.768 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CC(F)(F)F)c2ccccc2)CC[N@@H+]1C ZINC000252185431 1021277965 /nfs/dbraw/zinc/27/79/65/1021277965.db2.gz UFEIYVFZKJXLGM-VHDGCEQUSA-N 2 2 300.368 3.752 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CC(F)(F)F)c2ccccc2)CC[N@H+]1C ZINC000252185431 1021277969 /nfs/dbraw/zinc/27/79/69/1021277969.db2.gz UFEIYVFZKJXLGM-VHDGCEQUSA-N 2 2 300.368 3.752 20 0 DHADLP COc1ccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000128654891 1021308933 /nfs/dbraw/zinc/30/89/33/1021308933.db2.gz DBICTHQDONLDCL-MRXNPFEDSA-N 2 2 321.424 3.774 20 0 DHADLP Cc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337409453 1032975097 /nfs/dbraw/zinc/97/50/97/1032975097.db2.gz WCUDECVIXRLSLI-GOSISDBHSA-N 2 2 309.457 3.907 20 0 DHADLP Cc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337409453 1032975100 /nfs/dbraw/zinc/97/51/00/1032975100.db2.gz WCUDECVIXRLSLI-GOSISDBHSA-N 2 2 309.457 3.907 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556061354 1021509597 /nfs/dbraw/zinc/50/95/97/1021509597.db2.gz WCTRHCAHWGMMHU-QFBILLFUSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000556061354 1021509612 /nfs/dbraw/zinc/50/96/12/1021509612.db2.gz WCTRHCAHWGMMHU-QFBILLFUSA-N 2 2 316.395 3.890 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000069752913 1021533503 /nfs/dbraw/zinc/53/35/03/1021533503.db2.gz KPAUJIOHUCJNEW-KBXCAEBGSA-N 2 2 307.397 3.879 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+]3C)cc2)cs1 ZINC000649574927 1021535469 /nfs/dbraw/zinc/53/54/69/1021535469.db2.gz YBCNWBZPTBCWKS-GUYCJALGSA-N 2 2 315.486 3.863 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H]3CCC[N@H+]3C)cc2)cs1 ZINC000649574927 1021535475 /nfs/dbraw/zinc/53/54/75/1021535475.db2.gz YBCNWBZPTBCWKS-GUYCJALGSA-N 2 2 315.486 3.863 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc2c(c1)CCO2 ZINC000850494597 1021563298 /nfs/dbraw/zinc/56/32/98/1021563298.db2.gz QVDFQCYISSLUHH-IAGOWNOFSA-N 2 2 302.462 3.535 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc2c(c1)CCO2 ZINC000850494597 1021563311 /nfs/dbraw/zinc/56/33/11/1021563311.db2.gz QVDFQCYISSLUHH-IAGOWNOFSA-N 2 2 302.462 3.535 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H]2CCSC2)[NH+](CC)CC)cc1 ZINC000556211352 1021611215 /nfs/dbraw/zinc/61/12/15/1021611215.db2.gz AHCWXFUCFPDQSL-ROUUACIJSA-N 2 2 306.519 3.727 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000093644129 1021639461 /nfs/dbraw/zinc/63/94/61/1021639461.db2.gz AFLQZWOYXKRMJX-ABAIWWIYSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000093644129 1021639468 /nfs/dbraw/zinc/63/94/68/1021639468.db2.gz AFLQZWOYXKRMJX-ABAIWWIYSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000093644129 1021639450 /nfs/dbraw/zinc/63/94/50/1021639450.db2.gz AFLQZWOYXKRMJX-ABAIWWIYSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000093644129 1021639455 /nfs/dbraw/zinc/63/94/55/1021639455.db2.gz AFLQZWOYXKRMJX-ABAIWWIYSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)[N@H+](C)C1CC1 ZINC000498423176 1021655958 /nfs/dbraw/zinc/65/59/58/1021655958.db2.gz AOXBSTBRCOJFGU-KSSFIOAISA-N 2 2 302.437 3.834 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)[N@@H+](C)C1CC1 ZINC000498423176 1021655967 /nfs/dbraw/zinc/65/59/67/1021655967.db2.gz AOXBSTBRCOJFGU-KSSFIOAISA-N 2 2 302.437 3.834 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000379658267 1021708537 /nfs/dbraw/zinc/70/85/37/1021708537.db2.gz VVMOGJWZOFKKFY-UXPWSPDFSA-N 2 2 321.468 3.712 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000379658267 1021708549 /nfs/dbraw/zinc/70/85/49/1021708549.db2.gz VVMOGJWZOFKKFY-UXPWSPDFSA-N 2 2 321.468 3.712 20 0 DHADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660194151 1021789770 /nfs/dbraw/zinc/78/97/70/1021789770.db2.gz FIHSUGIZIDKWFT-WBVHZDCISA-N 2 2 324.534 3.539 20 0 DHADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660194151 1021789776 /nfs/dbraw/zinc/78/97/76/1021789776.db2.gz FIHSUGIZIDKWFT-WBVHZDCISA-N 2 2 324.534 3.539 20 0 DHADLP C[N@H+](Cc1ccc(SC(F)(F)F)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236205622 1021809383 /nfs/dbraw/zinc/80/93/83/1021809383.db2.gz FYHRXAZWEMXPMJ-CQSZACIVSA-N 2 2 318.408 3.872 20 0 DHADLP C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236205622 1021809396 /nfs/dbraw/zinc/80/93/96/1021809396.db2.gz FYHRXAZWEMXPMJ-CQSZACIVSA-N 2 2 318.408 3.872 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000152811155 1021834638 /nfs/dbraw/zinc/83/46/38/1021834638.db2.gz USBSTMXJBGGNCK-KBPBESRZSA-N 2 2 305.491 3.720 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)c2ccccc21 ZINC000262383808 1021932820 /nfs/dbraw/zinc/93/28/20/1021932820.db2.gz ZBBRDOJKMPFBQB-GJZGRUSLSA-N 2 2 304.340 3.522 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000262566822 1021963383 /nfs/dbraw/zinc/96/33/83/1021963383.db2.gz WURLVMHZGBVKOK-GOEBONIOSA-N 2 2 315.486 3.535 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000262566822 1021963398 /nfs/dbraw/zinc/96/33/98/1021963398.db2.gz WURLVMHZGBVKOK-GOEBONIOSA-N 2 2 315.486 3.535 20 0 DHADLP CC(C)[C@@H](C)[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000179955687 1022096925 /nfs/dbraw/zinc/09/69/25/1022096925.db2.gz NVCICBVRQVXVQU-MRXNPFEDSA-N 2 2 303.494 3.921 20 0 DHADLP Cc1ccc(C(C)(C)Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001168803833 1022138639 /nfs/dbraw/zinc/13/86/39/1022138639.db2.gz MVAWXWIALZZIQW-LJQANCHMSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc(C(C)(C)Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001168803833 1022138647 /nfs/dbraw/zinc/13/86/47/1022138647.db2.gz MVAWXWIALZZIQW-LJQANCHMSA-N 2 2 323.484 3.875 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(Cl)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670390 1022155781 /nfs/dbraw/zinc/15/57/81/1022155781.db2.gz KUGDFNXYCVWSSI-ZDUSSCGKSA-N 2 2 312.804 3.772 20 0 DHADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nn1C ZINC000337495626 1033032908 /nfs/dbraw/zinc/03/29/08/1033032908.db2.gz YDIMUZXESREKRY-LSDHHAIUSA-N 2 2 323.444 3.634 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1cc(F)ccc1F)C2 ZINC001169143098 1022275438 /nfs/dbraw/zinc/27/54/38/1022275438.db2.gz XOLDUFAWGWFMGZ-BORJPKMPSA-N 2 2 306.400 3.727 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]1c1cc(F)ccc1F)C2 ZINC001169143098 1022275446 /nfs/dbraw/zinc/27/54/46/1022275446.db2.gz XOLDUFAWGWFMGZ-BORJPKMPSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1c1cc(F)ccc1F)C2 ZINC001169143098 1022275450 /nfs/dbraw/zinc/27/54/50/1022275450.db2.gz XOLDUFAWGWFMGZ-BORJPKMPSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1c1cc(F)ccc1F)C2 ZINC001169143098 1022275460 /nfs/dbraw/zinc/27/54/60/1022275460.db2.gz XOLDUFAWGWFMGZ-BORJPKMPSA-N 2 2 306.400 3.727 20 0 DHADLP CC(C)Oc1ccc[nH+]c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169145208 1022278152 /nfs/dbraw/zinc/27/81/52/1022278152.db2.gz CKYVUGWOQIEZBL-KSSFIOAISA-N 2 2 305.466 3.824 20 0 DHADLP Cc1nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c2c([nH+]1)CCCC2 ZINC001169145116 1022278260 /nfs/dbraw/zinc/27/82/60/1022278260.db2.gz SCAWQFGYBWOUTI-LIRRHRJNSA-N 2 2 316.493 3.619 20 0 DHADLP Cn1c[nH+]c2ccc(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc21 ZINC001169149063 1022279604 /nfs/dbraw/zinc/27/96/04/1022279604.db2.gz XQOMIGWGBJQSRX-RDTXWAMCSA-N 2 2 300.450 3.529 20 0 DHADLP COc1c[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c2[nH]ccc21 ZINC001169140410 1022291246 /nfs/dbraw/zinc/29/12/46/1022291246.db2.gz FYJBOWDAKUUDQY-XIKOKIGWSA-N 2 2 316.449 3.527 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cccc(OC)c2)CC1 ZINC001169233213 1022314045 /nfs/dbraw/zinc/31/40/45/1022314045.db2.gz OHCLSGAXAROQSV-NRFANRHFSA-N 2 2 324.468 3.859 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001169233107 1022315174 /nfs/dbraw/zinc/31/51/74/1022315174.db2.gz LBAJNXVEHLJXRW-UHFFFAOYSA-N 2 2 319.836 3.569 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC000268694562 1022371847 /nfs/dbraw/zinc/37/18/47/1022371847.db2.gz BEMIEVVCZODJMT-AOIWGVFYSA-N 2 2 309.457 3.785 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccn1 ZINC000268694562 1022371862 /nfs/dbraw/zinc/37/18/62/1022371862.db2.gz BEMIEVVCZODJMT-AOIWGVFYSA-N 2 2 309.457 3.785 20 0 DHADLP CCCCCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155733356 1022417090 /nfs/dbraw/zinc/41/70/90/1022417090.db2.gz VXXTVJDAPSXWOB-INIZCTEOSA-N 2 2 301.434 3.803 20 0 DHADLP c1ccc(-c2[nH]c3ccc(NCC[C@H]4CCC[NH2+]4)cc3[nH+]2)cc1 ZINC001169569666 1022454133 /nfs/dbraw/zinc/45/41/33/1022454133.db2.gz RKAWLUHDHZSWID-OAHLLOKOSA-N 2 2 306.413 3.784 20 0 DHADLP COCCC[NH+]1CCC([N@H+](C)[C@H](C)c2ccccc2Cl)CC1 ZINC001172254356 1033069176 /nfs/dbraw/zinc/06/91/76/1033069176.db2.gz KYECLMTWLJPQLV-OAHLLOKOSA-N 2 2 324.896 3.834 20 0 DHADLP COCCC[NH+]1CCC([N@@H+](C)[C@H](C)c2ccccc2Cl)CC1 ZINC001172254356 1033069190 /nfs/dbraw/zinc/06/91/90/1033069190.db2.gz KYECLMTWLJPQLV-OAHLLOKOSA-N 2 2 324.896 3.834 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000315493554 1022643970 /nfs/dbraw/zinc/64/39/70/1022643970.db2.gz BHIRWAHUVQRSDN-OAHLLOKOSA-N 2 2 315.486 3.630 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000315493554 1022643974 /nfs/dbraw/zinc/64/39/74/1022643974.db2.gz BHIRWAHUVQRSDN-OAHLLOKOSA-N 2 2 315.486 3.630 20 0 DHADLP Cc1cc[nH+]c(N2CCN(c3[nH+]ccc4ccc(C)cc43)CC2)c1 ZINC000584718175 1022657415 /nfs/dbraw/zinc/65/74/15/1022657415.db2.gz LDTXBHRAFOHQBY-UHFFFAOYSA-N 2 2 318.424 3.573 20 0 DHADLP ClC1(Cl)C[C@@H]1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000856805912 1022873095 /nfs/dbraw/zinc/87/30/95/1022873095.db2.gz YXZXDMPVGSTJAJ-JTQLQIEISA-N 2 2 316.257 3.607 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000072726210 1022897813 /nfs/dbraw/zinc/89/78/13/1022897813.db2.gz MZFRMZBOTNTGIJ-LBPRGKRZSA-N 2 2 301.777 3.970 20 0 DHADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2ccc(C)cc2)cc1 ZINC000163784157 1022928999 /nfs/dbraw/zinc/92/89/99/1022928999.db2.gz VSOZHYDRJHPTFW-OAQYLSRUSA-N 2 2 324.468 3.777 20 0 DHADLP C[NH+](C)C1CCN(c2ccc([NH2+]C3CC(C(F)F)C3)cc2)CC1 ZINC000768710094 1023010352 /nfs/dbraw/zinc/01/03/52/1023010352.db2.gz VLSUBZFBWVVPPY-UHFFFAOYSA-N 2 2 323.431 3.673 20 0 DHADLP COc1ccc2cc(NCCC[N@@H+]3CCCC[C@@H]3C)[nH+]cc2c1 ZINC001167751868 1023031303 /nfs/dbraw/zinc/03/13/03/1023031303.db2.gz PYCNQOQUHKZQFB-HNNXBMFYSA-N 2 2 313.445 3.920 20 0 DHADLP COc1ccc2cc(NCCC[N@H+]3CCCC[C@@H]3C)[nH+]cc2c1 ZINC001167751868 1023031310 /nfs/dbraw/zinc/03/13/10/1023031310.db2.gz PYCNQOQUHKZQFB-HNNXBMFYSA-N 2 2 313.445 3.920 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000167884626 1023050212 /nfs/dbraw/zinc/05/02/12/1023050212.db2.gz ALOZANFVQQEEGL-JKSUJKDBSA-N 2 2 304.478 3.521 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccccc3N3CCCCC3)C2)[nH]1 ZINC000768903417 1023051568 /nfs/dbraw/zinc/05/15/68/1023051568.db2.gz LZEVBJHQQXWAGV-SFHVURJKSA-N 2 2 324.472 3.780 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccccc3N3CCCCC3)C2)[nH]1 ZINC000768903417 1023051571 /nfs/dbraw/zinc/05/15/71/1023051571.db2.gz LZEVBJHQQXWAGV-SFHVURJKSA-N 2 2 324.472 3.780 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c(C)n1 ZINC000364349483 1023066876 /nfs/dbraw/zinc/06/68/76/1023066876.db2.gz AQDQMOWIJRZPKW-SFHVURJKSA-N 2 2 312.461 3.683 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c(C)n1 ZINC000364349483 1023066884 /nfs/dbraw/zinc/06/68/84/1023066884.db2.gz AQDQMOWIJRZPKW-SFHVURJKSA-N 2 2 312.461 3.683 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000364360021 1023082095 /nfs/dbraw/zinc/08/20/95/1023082095.db2.gz UXLKNCRQXCWQNV-ROUUACIJSA-N 2 2 319.493 3.585 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC000364360021 1023082107 /nfs/dbraw/zinc/08/21/07/1023082107.db2.gz UXLKNCRQXCWQNV-ROUUACIJSA-N 2 2 319.493 3.585 20 0 DHADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000387071732 1023119004 /nfs/dbraw/zinc/11/90/04/1023119004.db2.gz UNDBTSKTBMTLNO-GDBMZVCRSA-N 2 2 312.379 3.669 20 0 DHADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000387071732 1023119007 /nfs/dbraw/zinc/11/90/07/1023119007.db2.gz UNDBTSKTBMTLNO-GDBMZVCRSA-N 2 2 312.379 3.669 20 0 DHADLP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172330531 1033116735 /nfs/dbraw/zinc/11/67/35/1033116735.db2.gz LWEGWWQRPVOCSB-CVEARBPZSA-N 2 2 306.450 3.519 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1ncco1 ZINC000924669136 1033121184 /nfs/dbraw/zinc/12/11/84/1033121184.db2.gz IYCFTAGSPUTKEF-JKSUJKDBSA-N 2 2 313.445 3.900 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ncco1 ZINC000924669136 1033121192 /nfs/dbraw/zinc/12/11/92/1033121192.db2.gz IYCFTAGSPUTKEF-JKSUJKDBSA-N 2 2 313.445 3.900 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660664587 1023370970 /nfs/dbraw/zinc/37/09/70/1023370970.db2.gz QXNATWSONLQMPF-GOSISDBHSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660664587 1023370975 /nfs/dbraw/zinc/37/09/75/1023370975.db2.gz QXNATWSONLQMPF-GOSISDBHSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660664587 1023370980 /nfs/dbraw/zinc/37/09/80/1023370980.db2.gz QXNATWSONLQMPF-GOSISDBHSA-N 2 2 324.415 3.514 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660664587 1023370992 /nfs/dbraw/zinc/37/09/92/1023370992.db2.gz QXNATWSONLQMPF-GOSISDBHSA-N 2 2 324.415 3.514 20 0 DHADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000786795510 1023727111 /nfs/dbraw/zinc/72/71/11/1023727111.db2.gz FOQPWKXUXQIDNY-NJAFHUGGSA-N 2 2 315.461 3.664 20 0 DHADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000786795512 1023727190 /nfs/dbraw/zinc/72/71/90/1023727190.db2.gz FOQPWKXUXQIDNY-SZMVWBNQSA-N 2 2 315.461 3.664 20 0 DHADLP Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787283879 1023780393 /nfs/dbraw/zinc/78/03/93/1023780393.db2.gz GBMHMIWFTVXOKF-OXQOHEQNSA-N 2 2 321.424 3.565 20 0 DHADLP CCOCC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001172416708 1033161721 /nfs/dbraw/zinc/16/17/21/1033161721.db2.gz PBUXYEZXMSVMEY-HNNXBMFYSA-N 2 2 322.468 3.503 20 0 DHADLP Cc1cc(C)c([C@@H](C)[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1C ZINC000925751682 1023877349 /nfs/dbraw/zinc/87/73/49/1023877349.db2.gz QYRPJLMCZJKKPF-CQSZACIVSA-N 2 2 315.486 3.646 20 0 DHADLP Cc1cc(C)c([C@@H](C)[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1C ZINC000925751682 1023877352 /nfs/dbraw/zinc/87/73/52/1023877352.db2.gz QYRPJLMCZJKKPF-CQSZACIVSA-N 2 2 315.486 3.646 20 0 DHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000788593670 1023909997 /nfs/dbraw/zinc/90/99/97/1023909997.db2.gz HPOSAOCVTGONMM-WMLDXEAASA-N 2 2 322.880 3.621 20 0 DHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000788593670 1023910002 /nfs/dbraw/zinc/91/00/02/1023910002.db2.gz HPOSAOCVTGONMM-WMLDXEAASA-N 2 2 322.880 3.621 20 0 DHADLP CC[C@@H](CC(C)C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001172395240 1033178347 /nfs/dbraw/zinc/17/83/47/1033178347.db2.gz JUVIPYPPBJBPCQ-GJZGRUSLSA-N 2 2 313.283 3.863 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC000531143652 1024035100 /nfs/dbraw/zinc/03/51/00/1024035100.db2.gz LCOFNONPJMBJMM-CZUORRHYSA-N 2 2 310.869 3.653 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC000531143652 1024035110 /nfs/dbraw/zinc/03/51/10/1024035110.db2.gz LCOFNONPJMBJMM-CZUORRHYSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC000531143652 1024035124 /nfs/dbraw/zinc/03/51/24/1024035124.db2.gz LCOFNONPJMBJMM-CZUORRHYSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC000531143652 1024035135 /nfs/dbraw/zinc/03/51/35/1024035135.db2.gz LCOFNONPJMBJMM-CZUORRHYSA-N 2 2 310.869 3.653 20 0 DHADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC001170113652 1024138428 /nfs/dbraw/zinc/13/84/28/1024138428.db2.gz SVIQEIHHNQNRJU-IFXJQAMLSA-N 2 2 304.453 3.877 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1OC(F)(F)F ZINC000268821993 1024171337 /nfs/dbraw/zinc/17/13/37/1024171337.db2.gz ODVLFBZTHOBBRW-NWDGAFQWSA-N 2 2 313.323 3.521 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)CC[N@@H+]1C ZINC000268838149 1024174825 /nfs/dbraw/zinc/17/48/25/1024174825.db2.gz YVSAYAXTNNBWQQ-ZYHUDNBSSA-N 2 2 309.866 3.522 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)CC[N@H+]1C ZINC000268838149 1024174830 /nfs/dbraw/zinc/17/48/30/1024174830.db2.gz YVSAYAXTNNBWQQ-ZYHUDNBSSA-N 2 2 309.866 3.522 20 0 DHADLP Cc1cc(OCCC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C)ccc1Cl ZINC000562056861 1024179657 /nfs/dbraw/zinc/17/96/57/1024179657.db2.gz LSMWCXVELQIWFO-GJZGRUSLSA-N 2 2 312.885 3.736 20 0 DHADLP CC(C)COCC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172481121 1033191878 /nfs/dbraw/zinc/19/18/78/1033191878.db2.gz PRAYGGHAULGDTI-KRWDZBQOSA-N 2 2 310.526 3.776 20 0 DHADLP CC(C)COCC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172481121 1033191893 /nfs/dbraw/zinc/19/18/93/1033191893.db2.gz PRAYGGHAULGDTI-KRWDZBQOSA-N 2 2 310.526 3.776 20 0 DHADLP Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268957419 1024203391 /nfs/dbraw/zinc/20/33/91/1024203391.db2.gz WLHZGBFEZMXHEC-UZLBHIALSA-N 2 2 321.424 3.565 20 0 DHADLP c1coc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453059517 1024309575 /nfs/dbraw/zinc/30/95/75/1024309575.db2.gz QLGDIEDVHYJMTM-HSALFYBXSA-N 2 2 310.441 3.812 20 0 DHADLP c1coc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453059517 1024309592 /nfs/dbraw/zinc/30/95/92/1024309592.db2.gz QLGDIEDVHYJMTM-HSALFYBXSA-N 2 2 310.441 3.812 20 0 DHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C1CC1)C1CCC1)C2 ZINC000453086354 1024323698 /nfs/dbraw/zinc/32/36/98/1024323698.db2.gz LRSKJEFZCDEOBY-MAUKXSAKSA-N 2 2 301.478 3.664 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000453092237 1024325139 /nfs/dbraw/zinc/32/51/39/1024325139.db2.gz QQTNMIXIDGZMPC-MSOLQXFVSA-N 2 2 303.494 3.503 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883387358 1024420471 /nfs/dbraw/zinc/42/04/71/1024420471.db2.gz WXVDRZMCKGXDEA-JXFKEZNVSA-N 2 2 321.424 3.984 20 0 DHADLP Cc1ncc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883386938 1024420960 /nfs/dbraw/zinc/42/09/60/1024420960.db2.gz OWKCSMRMPGCUCY-XJKSGUPXSA-N 2 2 312.442 3.740 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCSCC1 ZINC000883387880 1024422475 /nfs/dbraw/zinc/42/24/75/1024422475.db2.gz HGFJGNZTUWLKNB-YJBOKZPZSA-N 2 2 315.486 3.746 20 0 DHADLP CCOc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883398111 1024428010 /nfs/dbraw/zinc/42/80/10/1024428010.db2.gz DAKACOWPHCQSED-HXUWFJFHSA-N 2 2 321.424 3.813 20 0 DHADLP Clc1ccccc1-c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)s1 ZINC000663502902 1024492076 /nfs/dbraw/zinc/49/20/76/1024492076.db2.gz ZUDAQXADSOSGGL-UHFFFAOYSA-N 2 2 318.873 3.910 20 0 DHADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000453414330 1024507585 /nfs/dbraw/zinc/50/75/85/1024507585.db2.gz YOIPJCUWMZSMTR-MJGOQNOKSA-N 2 2 316.489 3.618 20 0 DHADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000453414330 1024507596 /nfs/dbraw/zinc/50/75/96/1024507596.db2.gz YOIPJCUWMZSMTR-MJGOQNOKSA-N 2 2 316.489 3.618 20 0 DHADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000453414331 1024508182 /nfs/dbraw/zinc/50/81/82/1024508182.db2.gz YOIPJCUWMZSMTR-PKOBYXMFSA-N 2 2 316.489 3.618 20 0 DHADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000453414331 1024508192 /nfs/dbraw/zinc/50/81/92/1024508192.db2.gz YOIPJCUWMZSMTR-PKOBYXMFSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000271591388 1024548101 /nfs/dbraw/zinc/54/81/01/1024548101.db2.gz TUGFCXRMFZSQTB-HOTGVXAUSA-N 2 2 306.413 3.988 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(-c2ccccc2)s1 ZINC000271611139 1024550274 /nfs/dbraw/zinc/55/02/74/1024550274.db2.gz CKBJRCYVLDHGNB-UHFFFAOYSA-N 2 2 312.442 3.529 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(-c2ccccc2)s1 ZINC000271611139 1024550285 /nfs/dbraw/zinc/55/02/85/1024550285.db2.gz CKBJRCYVLDHGNB-UHFFFAOYSA-N 2 2 312.442 3.529 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000315336101 1024557206 /nfs/dbraw/zinc/55/72/06/1024557206.db2.gz DZHDENNXOVJGQB-GXTWGEPZSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000315336101 1024557214 /nfs/dbraw/zinc/55/72/14/1024557214.db2.gz DZHDENNXOVJGQB-GXTWGEPZSA-N 2 2 319.836 3.554 20 0 DHADLP CCc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000532112955 1024557951 /nfs/dbraw/zinc/55/79/51/1024557951.db2.gz YWRACHFIIRWLEB-UHFFFAOYSA-N 2 2 312.457 3.905 20 0 DHADLP CC1(C)CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000316117069 1024569420 /nfs/dbraw/zinc/56/94/20/1024569420.db2.gz SRKBNTDGEYXWSC-MRXNPFEDSA-N 2 2 301.478 3.999 20 0 DHADLP CC[NH+](CC)CCC[C@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001167834356 1024583825 /nfs/dbraw/zinc/58/38/25/1024583825.db2.gz IVJKPKZYBPQBPQ-SFHVURJKSA-N 3 2 323.569 3.836 20 0 DHADLP CC[NH+](CC)CCC[C@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001167834356 1024583833 /nfs/dbraw/zinc/58/38/33/1024583833.db2.gz IVJKPKZYBPQBPQ-SFHVURJKSA-N 3 2 323.569 3.836 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000532239039 1024588102 /nfs/dbraw/zinc/58/81/02/1024588102.db2.gz ABMGSUFRDWBGAS-IAGOWNOFSA-N 2 2 309.457 3.741 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000532239039 1024588109 /nfs/dbraw/zinc/58/81/09/1024588109.db2.gz ABMGSUFRDWBGAS-IAGOWNOFSA-N 2 2 309.457 3.741 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OC1CCCC1 ZINC000349385608 1024711308 /nfs/dbraw/zinc/71/13/08/1024711308.db2.gz QQPCLCJORXRZFX-UHFFFAOYSA-N 2 2 313.445 3.727 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OC1CCCC1 ZINC000349385608 1024711320 /nfs/dbraw/zinc/71/13/20/1024711320.db2.gz QQPCLCJORXRZFX-UHFFFAOYSA-N 2 2 313.445 3.727 20 0 DHADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(C2CCC2)s1 ZINC000349415317 1024714920 /nfs/dbraw/zinc/71/49/20/1024714920.db2.gz IZEWTYFZVMLLDZ-UHFFFAOYSA-N 2 2 307.507 3.718 20 0 DHADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(C2CCC2)s1 ZINC000349415317 1024714931 /nfs/dbraw/zinc/71/49/31/1024714931.db2.gz IZEWTYFZVMLLDZ-UHFFFAOYSA-N 2 2 307.507 3.718 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(-c2cccs2)s1 ZINC000349416656 1024716624 /nfs/dbraw/zinc/71/66/24/1024716624.db2.gz KLVWZROPYJWWDJ-UHFFFAOYSA-N 2 2 318.471 3.590 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(-c2cccs2)s1 ZINC000349416656 1024716637 /nfs/dbraw/zinc/71/66/37/1024716637.db2.gz KLVWZROPYJWWDJ-UHFFFAOYSA-N 2 2 318.471 3.590 20 0 DHADLP Cc1[nH+]cn([C@H](C)Cc2ccccc2Cl)c1CSCC[NH3+] ZINC001170253571 1024724386 /nfs/dbraw/zinc/72/43/86/1024724386.db2.gz AQPCWKIQUOYURF-GFCCVEGCSA-N 2 2 323.893 3.841 20 0 DHADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349596075 1024732376 /nfs/dbraw/zinc/73/23/76/1024732376.db2.gz FCSXZWCLXKWZBB-UHFFFAOYSA-N 2 2 323.893 3.927 20 0 DHADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349596075 1024732387 /nfs/dbraw/zinc/73/23/87/1024732387.db2.gz FCSXZWCLXKWZBB-UHFFFAOYSA-N 2 2 323.893 3.927 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000348289661 1024745060 /nfs/dbraw/zinc/74/50/60/1024745060.db2.gz LFAMDQRNUFULPY-QGZVFWFLSA-N 2 2 324.472 3.556 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000348289661 1024745064 /nfs/dbraw/zinc/74/50/64/1024745064.db2.gz LFAMDQRNUFULPY-QGZVFWFLSA-N 2 2 324.472 3.556 20 0 DHADLP COc1ccsc1[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000349829954 1024757410 /nfs/dbraw/zinc/75/74/10/1024757410.db2.gz PPYCOWHMQOSZGX-ZDUSSCGKSA-N 2 2 313.426 3.793 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001168169936 1024768184 /nfs/dbraw/zinc/76/81/84/1024768184.db2.gz YDRPLSYCONWHLR-YOEHRIQHSA-N 2 2 308.897 3.981 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001168169936 1024768195 /nfs/dbraw/zinc/76/81/95/1024768195.db2.gz YDRPLSYCONWHLR-YOEHRIQHSA-N 2 2 308.897 3.981 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000349964692 1024776866 /nfs/dbraw/zinc/77/68/66/1024776866.db2.gz KKJYGBJPAVXZOK-WMZOPIPTSA-N 2 2 319.493 3.535 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000349964692 1024776874 /nfs/dbraw/zinc/77/68/74/1024776874.db2.gz KKJYGBJPAVXZOK-WMZOPIPTSA-N 2 2 319.493 3.535 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)CC[N@@H+]1C ZINC000168533520 1024784648 /nfs/dbraw/zinc/78/46/48/1024784648.db2.gz KVRLSCUFMDDLNQ-YSSFQJQWSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)CC[N@H+]1C ZINC000168533520 1024784659 /nfs/dbraw/zinc/78/46/59/1024784659.db2.gz KVRLSCUFMDDLNQ-YSSFQJQWSA-N 2 2 312.432 3.987 20 0 DHADLP Cc1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cs1 ZINC000648462554 1024849385 /nfs/dbraw/zinc/84/93/85/1024849385.db2.gz JMESGCVOIZULRX-QGZVFWFLSA-N 2 2 311.454 3.864 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000226391279 1024883694 /nfs/dbraw/zinc/88/36/94/1024883694.db2.gz PMPDPNKFRTYVCQ-SNVBAGLBSA-N 2 2 317.296 3.646 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(F)c1 ZINC000162838960 1024901462 /nfs/dbraw/zinc/90/14/62/1024901462.db2.gz DIHFZRACPNWMNP-AWEZNQCLSA-N 2 2 317.408 3.772 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(F)c1 ZINC000162839074 1024902586 /nfs/dbraw/zinc/90/25/86/1024902586.db2.gz DIHFZRACPNWMNP-CQSZACIVSA-N 2 2 317.408 3.772 20 0 DHADLP C[N@H+](CCC[NH2+]Cc1cc(F)ccc1F)Cc1ccccc1 ZINC000058518926 1024941747 /nfs/dbraw/zinc/94/17/47/1024941747.db2.gz VGWOIGLADWOERB-UHFFFAOYSA-N 2 2 304.384 3.577 20 0 DHADLP C[N@@H+](CCC[NH2+]Cc1cc(F)ccc1F)Cc1ccccc1 ZINC000058518926 1024941756 /nfs/dbraw/zinc/94/17/56/1024941756.db2.gz VGWOIGLADWOERB-UHFFFAOYSA-N 2 2 304.384 3.577 20 0 DHADLP FCC[C@H]1CCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000353443981 1025070245 /nfs/dbraw/zinc/07/02/45/1025070245.db2.gz FDQITWYTJCUCOE-MSOLQXFVSA-N 2 2 315.436 3.592 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[C@H]1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337534269 1025088238 /nfs/dbraw/zinc/08/82/38/1025088238.db2.gz FLSOXHNMSUSHFY-VBNZEHGJSA-N 2 2 321.371 3.683 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000321674619 1025119451 /nfs/dbraw/zinc/11/94/51/1025119451.db2.gz ILOMBDDEQQZMJJ-CXAGYDPISA-N 2 2 319.424 3.796 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000321674621 1025119472 /nfs/dbraw/zinc/11/94/72/1025119472.db2.gz ILOMBDDEQQZMJJ-GUYCJALGSA-N 2 2 319.424 3.796 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000353559054 1025131459 /nfs/dbraw/zinc/13/14/59/1025131459.db2.gz KNDLCPGHNDKTIQ-HNAYVOBHSA-N 2 2 322.456 3.677 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000353559054 1025131467 /nfs/dbraw/zinc/13/14/67/1025131467.db2.gz KNDLCPGHNDKTIQ-HNAYVOBHSA-N 2 2 322.456 3.677 20 0 DHADLP C[NH2+]CCN(c1cc(C2CCCCC2)[nH+]c(C)n1)C(C)(C)C ZINC001157833201 1025222894 /nfs/dbraw/zinc/22/28/94/1025222894.db2.gz JOWVKWKSZHSYIO-UHFFFAOYSA-N 2 2 304.482 3.657 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@H]1C ZINC000353748778 1025233256 /nfs/dbraw/zinc/23/32/56/1025233256.db2.gz JBABOCSXEWQRDU-RHSMWYFYSA-N 2 2 320.525 3.560 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@H]1C ZINC000353748778 1025233262 /nfs/dbraw/zinc/23/32/62/1025233262.db2.gz JBABOCSXEWQRDU-RHSMWYFYSA-N 2 2 320.525 3.560 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@H]1C ZINC000353748778 1025233269 /nfs/dbraw/zinc/23/32/69/1025233269.db2.gz JBABOCSXEWQRDU-RHSMWYFYSA-N 2 2 320.525 3.560 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@H]1C ZINC000353748778 1025233275 /nfs/dbraw/zinc/23/32/75/1025233275.db2.gz JBABOCSXEWQRDU-RHSMWYFYSA-N 2 2 320.525 3.560 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(F)F)C[C@H]1C ZINC000353753701 1025236571 /nfs/dbraw/zinc/23/65/71/1025236571.db2.gz XTBKAAZRBTZJAG-UKRRQHHQSA-N 2 2 312.404 3.593 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(F)F)C[C@H]1C ZINC000353753701 1025236583 /nfs/dbraw/zinc/23/65/83/1025236583.db2.gz XTBKAAZRBTZJAG-UKRRQHHQSA-N 2 2 312.404 3.593 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OC(F)F)C[C@H]1C ZINC000353753701 1025236599 /nfs/dbraw/zinc/23/65/99/1025236599.db2.gz XTBKAAZRBTZJAG-UKRRQHHQSA-N 2 2 312.404 3.593 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(F)F)C[C@H]1C ZINC000353753701 1025236613 /nfs/dbraw/zinc/23/66/13/1025236613.db2.gz XTBKAAZRBTZJAG-UKRRQHHQSA-N 2 2 312.404 3.593 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000353935061 1025299161 /nfs/dbraw/zinc/29/91/61/1025299161.db2.gz ULKJNQAGTQTGRV-NDBYEHHHSA-N 2 2 309.866 3.768 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000353994627 1025313087 /nfs/dbraw/zinc/31/30/87/1025313087.db2.gz CIDIVTWXCFESJD-QFBILLFUSA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000353994627 1025313093 /nfs/dbraw/zinc/31/30/93/1025313093.db2.gz CIDIVTWXCFESJD-QFBILLFUSA-N 2 2 302.462 3.537 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000125254899 1025463439 /nfs/dbraw/zinc/46/34/39/1025463439.db2.gz XSFKYHJMDWMAIK-UHFFFAOYSA-N 2 2 321.515 3.788 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000125254899 1025463444 /nfs/dbraw/zinc/46/34/44/1025463444.db2.gz XSFKYHJMDWMAIK-UHFFFAOYSA-N 2 2 321.515 3.788 20 0 DHADLP Oc1cccc2sc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000893967297 1025631282 /nfs/dbraw/zinc/63/12/82/1025631282.db2.gz ZVNHQZKIRZDKGT-LBPRGKRZSA-N 2 2 313.426 3.710 20 0 DHADLP Oc1cccc2sc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc21 ZINC000893967297 1025631289 /nfs/dbraw/zinc/63/12/89/1025631289.db2.gz ZVNHQZKIRZDKGT-LBPRGKRZSA-N 2 2 313.426 3.710 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCC4(CCC4)C3)sc2C1 ZINC000355204114 1025636251 /nfs/dbraw/zinc/63/62/51/1025636251.db2.gz RLUGDXBWTDQYDX-UHFFFAOYSA-N 2 2 319.518 3.676 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCC4(CCC4)C3)sc2C1 ZINC000355204114 1025636257 /nfs/dbraw/zinc/63/62/57/1025636257.db2.gz RLUGDXBWTDQYDX-UHFFFAOYSA-N 2 2 319.518 3.676 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCC4(CCC4)C3)sc2C1 ZINC000355204114 1025636263 /nfs/dbraw/zinc/63/62/63/1025636263.db2.gz RLUGDXBWTDQYDX-UHFFFAOYSA-N 2 2 319.518 3.676 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCC4(CCC4)C3)sc2C1 ZINC000355204114 1025636266 /nfs/dbraw/zinc/63/62/66/1025636266.db2.gz RLUGDXBWTDQYDX-UHFFFAOYSA-N 2 2 319.518 3.676 20 0 DHADLP Clc1cccc2c3c([nH]c21)[C@H]([NH2+]CCn1cc[nH+]c1)CCC3 ZINC000886489205 1025647764 /nfs/dbraw/zinc/64/77/64/1025647764.db2.gz CLGPPVSHJLXUKM-OAHLLOKOSA-N 2 2 314.820 3.685 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886502793 1025657407 /nfs/dbraw/zinc/65/74/07/1025657407.db2.gz OKWZBUYDUCSENY-SJCJKPOMSA-N 2 2 312.392 3.559 20 0 DHADLP COc1ccccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000359866719 1025724587 /nfs/dbraw/zinc/72/45/87/1025724587.db2.gz GHDLOXQTNAOCIW-QGZVFWFLSA-N 2 2 313.445 3.680 20 0 DHADLP COc1ccccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000359866719 1025724606 /nfs/dbraw/zinc/72/46/06/1025724606.db2.gz GHDLOXQTNAOCIW-QGZVFWFLSA-N 2 2 313.445 3.680 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000359865136 1025725470 /nfs/dbraw/zinc/72/54/70/1025725470.db2.gz DCQIMWYIENTXKQ-QGZVFWFLSA-N 2 2 323.444 3.547 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000359865136 1025725475 /nfs/dbraw/zinc/72/54/75/1025725475.db2.gz DCQIMWYIENTXKQ-QGZVFWFLSA-N 2 2 323.444 3.547 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3ncc(C(C)C)o3)CC2)[nH+]c1C ZINC000886666289 1025771823 /nfs/dbraw/zinc/77/18/23/1025771823.db2.gz QKPVVAHSGUYSCH-UHFFFAOYSA-N 2 2 302.422 3.518 20 0 DHADLP C[NH+](C)C1CCN(c2ccc([NH2+][C@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000806155396 1025814064 /nfs/dbraw/zinc/81/40/64/1025814064.db2.gz QKBUPPNEXWUUJG-PMACEKPBSA-N 2 2 313.489 3.818 20 0 DHADLP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccn2)cc1 ZINC000248129998 1025933060 /nfs/dbraw/zinc/93/30/60/1025933060.db2.gz OHZAIZDPKDULGK-CUWPLCDZSA-N 2 2 323.484 3.746 20 0 DHADLP Cc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccn2)cc1 ZINC000248129998 1025933075 /nfs/dbraw/zinc/93/30/75/1025933075.db2.gz OHZAIZDPKDULGK-CUWPLCDZSA-N 2 2 323.484 3.746 20 0 DHADLP CO[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)CC(C)C ZINC000419237356 1025954279 /nfs/dbraw/zinc/95/42/79/1025954279.db2.gz BZVUEZWTBCCZPR-YJBOKZPZSA-N 2 2 301.434 3.584 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[N@@H+]1C ZINC000356291931 1026010272 /nfs/dbraw/zinc/01/02/72/1026010272.db2.gz WMUFBUKARLVIIS-GJZGRUSLSA-N 2 2 321.896 3.513 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[N@H+]1C ZINC000356291931 1026010287 /nfs/dbraw/zinc/01/02/87/1026010287.db2.gz WMUFBUKARLVIIS-GJZGRUSLSA-N 2 2 321.896 3.513 20 0 DHADLP CCOCCC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000090722765 1026085624 /nfs/dbraw/zinc/08/56/24/1026085624.db2.gz FYJVIFGZLUSEJP-INIZCTEOSA-N 2 2 313.445 3.730 20 0 DHADLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000533052932 1026195979 /nfs/dbraw/zinc/19/59/79/1026195979.db2.gz ZNOZARQUUWDGMK-ZDUSSCGKSA-N 2 2 312.404 3.811 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nccc2ccccc21 ZINC000894199100 1026343902 /nfs/dbraw/zinc/34/39/02/1026343902.db2.gz GSSJDVKGDULZBL-GOSISDBHSA-N 2 2 308.429 3.636 20 0 DHADLP CCCC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000513346457 1026485441 /nfs/dbraw/zinc/48/54/41/1026485441.db2.gz VLSJFXBZCQCXHT-UHFFFAOYSA-N 2 2 306.416 3.963 20 0 DHADLP COc1ccsc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513416229 1026502836 /nfs/dbraw/zinc/50/28/36/1026502836.db2.gz MNQPWVZYVUJDTB-INIZCTEOSA-N 2 2 322.518 3.845 20 0 DHADLP COc1ccsc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513416229 1026502843 /nfs/dbraw/zinc/50/28/43/1026502843.db2.gz MNQPWVZYVUJDTB-INIZCTEOSA-N 2 2 322.518 3.845 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000513488287 1026525231 /nfs/dbraw/zinc/52/52/31/1026525231.db2.gz SDWVZFUIDXFDKA-GUYCJALGSA-N 2 2 308.416 3.806 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000513488287 1026525242 /nfs/dbraw/zinc/52/52/42/1026525242.db2.gz SDWVZFUIDXFDKA-GUYCJALGSA-N 2 2 308.416 3.806 20 0 DHADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000809633498 1026578429 /nfs/dbraw/zinc/57/84/29/1026578429.db2.gz OZXRGKIBFZLBTI-ZIAGYGMSSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000809633498 1026578433 /nfs/dbraw/zinc/57/84/33/1026578433.db2.gz OZXRGKIBFZLBTI-ZIAGYGMSSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)CC[N@@H+]1C ZINC000280191903 1026606613 /nfs/dbraw/zinc/60/66/13/1026606613.db2.gz UXWUPHDTRFFMMI-BBRMVZONSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)CC[N@H+]1C ZINC000280191903 1026606621 /nfs/dbraw/zinc/60/66/21/1026606621.db2.gz UXWUPHDTRFFMMI-BBRMVZONSA-N 2 2 302.393 3.658 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319629894 1026700334 /nfs/dbraw/zinc/70/03/34/1026700334.db2.gz ARTQIDDVHTVFNR-YJBOKZPZSA-N 2 2 315.461 3.966 20 0 DHADLP Clc1cccc2c1CC[C@@H]2[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000420296571 1026795813 /nfs/dbraw/zinc/79/58/13/1026795813.db2.gz XDSHXOBOIZPEBA-SFHVURJKSA-N 2 2 304.865 3.791 20 0 DHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000421821584 1027057306 /nfs/dbraw/zinc/05/73/06/1027057306.db2.gz SEGMBJQKFBECSJ-CYBMUJFWSA-N 2 2 322.880 3.874 20 0 DHADLP COC1([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCCCC1 ZINC000421826314 1027059051 /nfs/dbraw/zinc/05/90/51/1027059051.db2.gz RUSBMFQLYXPWAN-MRXNPFEDSA-N 2 2 313.445 3.700 20 0 DHADLP Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(C)n1 ZINC000421896435 1027084170 /nfs/dbraw/zinc/08/41/70/1027084170.db2.gz ZMYNNXCSHCXVLT-MRXNPFEDSA-N 2 2 306.413 3.735 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000571622192 1027137971 /nfs/dbraw/zinc/13/79/71/1027137971.db2.gz PHLWPPXMTRJDNY-HUUCEWRRSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000571622192 1027137979 /nfs/dbraw/zinc/13/79/79/1027137979.db2.gz PHLWPPXMTRJDNY-HUUCEWRRSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@H](CCSc1ccccc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514620 1027149386 /nfs/dbraw/zinc/14/93/86/1027149386.db2.gz DAYLFTRVNLIWAB-CQSZACIVSA-N 2 2 313.470 3.593 20 0 DHADLP C[C@H](CCSc1ccccc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514620 1027149391 /nfs/dbraw/zinc/14/93/91/1027149391.db2.gz DAYLFTRVNLIWAB-CQSZACIVSA-N 2 2 313.470 3.593 20 0 DHADLP Cc1cc([C@H]([NH2+]CCC[NH2+]C(C)C)c2cccnc2)ccc1F ZINC000572026475 1027164569 /nfs/dbraw/zinc/16/45/69/1027164569.db2.gz KNURANFLFWIMEW-IBGZPJMESA-N 2 2 315.436 3.596 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170673348 1027236178 /nfs/dbraw/zinc/23/61/78/1027236178.db2.gz MTOCURAFKVEDMO-WMLDXEAASA-N 2 2 322.443 3.532 20 0 DHADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422863314 1027342722 /nfs/dbraw/zinc/34/27/22/1027342722.db2.gz OOFACWVSVQUTGT-NHCUHLMSSA-N 3 2 323.484 3.761 20 0 DHADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422863314 1027342734 /nfs/dbraw/zinc/34/27/34/1027342734.db2.gz OOFACWVSVQUTGT-NHCUHLMSSA-N 3 2 323.484 3.761 20 0 DHADLP Clc1ccc(C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000422945793 1027376656 /nfs/dbraw/zinc/37/66/56/1027376656.db2.gz NWSWAMPYYNADRJ-ROUUACIJSA-N 2 2 300.833 3.575 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)cc1)c1c[nH+]ccc1N ZINC000422950402 1027380643 /nfs/dbraw/zinc/38/06/43/1027380643.db2.gz YAIFBBWTNANHLD-CQSZACIVSA-N 2 2 311.429 3.666 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)[C@H]1CCC[NH2+]1 ZINC000422982273 1027387606 /nfs/dbraw/zinc/38/76/06/1027387606.db2.gz QDMCPRCAZULNJT-OIISXLGYSA-N 2 2 300.471 3.762 20 0 DHADLP C[C@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000422982277 1027387756 /nfs/dbraw/zinc/38/77/56/1027387756.db2.gz QDMCPRCAZULNJT-XIRDDKMYSA-N 2 2 300.471 3.762 20 0 DHADLP C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000295703621 1027397794 /nfs/dbraw/zinc/39/77/94/1027397794.db2.gz MNNYTJLJFWGLGF-RDJZCZTQSA-N 2 2 311.429 3.625 20 0 DHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423116849 1027417801 /nfs/dbraw/zinc/41/78/01/1027417801.db2.gz RTKCSGFGIAOQOX-FGTMMUONSA-N 2 2 312.388 3.556 20 0 DHADLP COc1ccc([C@@H]([NH2+]CCCC(C)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000423147772 1027432657 /nfs/dbraw/zinc/43/26/57/1027432657.db2.gz STTJTOUNGUVTDC-JKSUJKDBSA-N 2 2 312.404 3.513 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362915052 1027441356 /nfs/dbraw/zinc/44/13/56/1027441356.db2.gz YBLRRHVLNBEJQQ-VQIMIIECSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362915052 1027441360 /nfs/dbraw/zinc/44/13/60/1027441360.db2.gz YBLRRHVLNBEJQQ-VQIMIIECSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc2ccccc2o1 ZINC000423182537 1027443294 /nfs/dbraw/zinc/44/32/94/1027443294.db2.gz FGWJRQSQJOGRMU-HNNXBMFYSA-N 2 2 309.413 3.658 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423212059 1027450368 /nfs/dbraw/zinc/45/03/68/1027450368.db2.gz LNBRSYFTFWNPGW-STQMWFEESA-N 2 2 319.449 3.599 20 0 DHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423237629 1027455346 /nfs/dbraw/zinc/45/53/46/1027455346.db2.gz QDHWWSGEDIVRTF-ABAIWWIYSA-N 2 2 319.449 3.660 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000423239308 1027459718 /nfs/dbraw/zinc/45/97/18/1027459718.db2.gz JTOYLJGXAORQAX-MLGOLLRUSA-N 2 2 324.346 3.936 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000575305123 1027470555 /nfs/dbraw/zinc/47/05/55/1027470555.db2.gz XEDNNBRWYUTBCD-HNAYVOBHSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000575305123 1027470567 /nfs/dbraw/zinc/47/05/67/1027470567.db2.gz XEDNNBRWYUTBCD-HNAYVOBHSA-N 2 2 304.453 3.753 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423242273 1027472335 /nfs/dbraw/zinc/47/23/35/1027472335.db2.gz VJZNAOYFZJLFFA-DOMZBBRYSA-N 2 2 301.459 3.521 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423244203 1027472806 /nfs/dbraw/zinc/47/28/06/1027472806.db2.gz NIIVWFAJKBLFEY-MOPGFXCFSA-N 2 2 310.441 3.707 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000423246795 1027475526 /nfs/dbraw/zinc/47/55/26/1027475526.db2.gz QALSBGTUWFNCKQ-RTBURBONSA-N 2 2 316.489 3.749 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)c2cccc(CO)c2)cc1 ZINC000423254026 1027479375 /nfs/dbraw/zinc/47/93/75/1027479375.db2.gz ZPDIVVYFCWDEBL-QRWLVFNGSA-N 2 2 312.457 3.653 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)c2cccc(CO)c2)cc1 ZINC000423254027 1027479955 /nfs/dbraw/zinc/47/99/55/1027479955.db2.gz ZPDIVVYFCWDEBL-YWZLYKJASA-N 2 2 312.457 3.653 20 0 DHADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423273489 1027489408 /nfs/dbraw/zinc/48/94/08/1027489408.db2.gz JAMPFLIWDQREPJ-ZANVPECISA-N 2 2 323.234 3.583 20 0 DHADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423319630 1027501371 /nfs/dbraw/zinc/50/13/71/1027501371.db2.gz LTVTYGKQMFRWGN-ZANVPECISA-N 2 2 323.234 3.583 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000423299206 1027505123 /nfs/dbraw/zinc/50/51/23/1027505123.db2.gz PSMDWVIUADQWSK-NEPJUHHUSA-N 2 2 314.857 3.525 20 0 DHADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)CCC[NH2+]1 ZINC000423429546 1027547239 /nfs/dbraw/zinc/54/72/39/1027547239.db2.gz OZGXKONXKZIRIR-YJBOKZPZSA-N 2 2 322.518 3.606 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1sc(C)nc1C ZINC000423499245 1027563617 /nfs/dbraw/zinc/56/36/17/1027563617.db2.gz JENDLPOFDPGRSZ-BZNIZROVSA-N 2 2 303.475 3.673 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000423509500 1027566170 /nfs/dbraw/zinc/56/61/70/1027566170.db2.gz RMLHPMVXXABVTD-HZPDHXFCSA-N 2 2 315.486 3.681 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000423506284 1027567494 /nfs/dbraw/zinc/56/74/94/1027567494.db2.gz PBPHUXDYEYYZJY-ACJLOTCBSA-N 2 2 316.420 3.747 20 0 DHADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423482976 1027570292 /nfs/dbraw/zinc/57/02/92/1027570292.db2.gz XQAFJGWXEQYTBS-CABZTGNLSA-N 2 2 303.233 3.534 20 0 DHADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(F)cc1OC(F)F ZINC000423494218 1027573629 /nfs/dbraw/zinc/57/36/29/1027573629.db2.gz ACUASMDBKJCKJR-QMTHXVAHSA-N 2 2 316.367 3.595 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000423494583 1027574558 /nfs/dbraw/zinc/57/45/58/1027574558.db2.gz AYLHCPGLPKHXGP-CWFSZBLJSA-N 2 2 312.457 3.615 20 0 DHADLP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576554787 1027632424 /nfs/dbraw/zinc/63/24/24/1027632424.db2.gz BWXIDNIXPWNYSF-WDEREUQCSA-N 2 2 309.866 3.593 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(F)nc2)c(C)c1 ZINC000778171960 1027733366 /nfs/dbraw/zinc/73/33/66/1027733366.db2.gz SRZGFMISNCPGDV-SFHVURJKSA-N 2 2 324.403 3.565 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]c2ccc(N(C)C3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000813862087 1027733462 /nfs/dbraw/zinc/73/34/62/1027733462.db2.gz BFAQCPXAQDNLCY-SPYBWZPUSA-N 2 2 301.478 3.673 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]c2ccc(N(C)C3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000813862089 1027734109 /nfs/dbraw/zinc/73/41/09/1027734109.db2.gz BFAQCPXAQDNLCY-ZRGWGRIASA-N 2 2 301.478 3.673 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@@H]1C ZINC000813863975 1027735411 /nfs/dbraw/zinc/73/54/11/1027735411.db2.gz MSMAGNIDLTUDBJ-SPYBWZPUSA-N 2 2 301.478 3.673 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@H]1C ZINC000813863980 1027737165 /nfs/dbraw/zinc/73/71/65/1027737165.db2.gz MSMAGNIDLTUDBJ-ZRGWGRIASA-N 2 2 301.478 3.673 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000035015293 1027769982 /nfs/dbraw/zinc/76/99/82/1027769982.db2.gz QWIKTRGADBWUPX-UHFFFAOYSA-N 2 2 318.433 3.699 20 0 DHADLP Cc1cc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)ccn1 ZINC000527634108 1027795054 /nfs/dbraw/zinc/79/50/54/1027795054.db2.gz KJQCFYUOBVOHFG-OAQYLSRUSA-N 2 2 323.484 3.563 20 0 DHADLP Cc1cc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)ccn1 ZINC000527634108 1027795063 /nfs/dbraw/zinc/79/50/63/1027795063.db2.gz KJQCFYUOBVOHFG-OAQYLSRUSA-N 2 2 323.484 3.563 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@@H](c3ccccc3)CC1)C2 ZINC000527710923 1027854112 /nfs/dbraw/zinc/85/41/12/1027854112.db2.gz MGAVOQNMQYBRQQ-SQNIBIBYSA-N 2 2 309.457 3.973 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@H](Cc3ccccc3)C1)C2 ZINC000364649047 1027864200 /nfs/dbraw/zinc/86/42/00/1027864200.db2.gz SOYSEWNVJNILCA-QRVBRYPASA-N 2 2 309.457 3.507 20 0 DHADLP c1cc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)ccc2cn1 ZINC000527750842 1027876847 /nfs/dbraw/zinc/87/68/47/1027876847.db2.gz CCDLNDVMDXHKGQ-HXUWFJFHSA-N 2 2 309.457 3.731 20 0 DHADLP c1cc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)ccc2cn1 ZINC000527750842 1027876868 /nfs/dbraw/zinc/87/68/68/1027876868.db2.gz CCDLNDVMDXHKGQ-HXUWFJFHSA-N 2 2 309.457 3.731 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@@H]2CC=CCC2)CC1 ZINC000527787962 1027886078 /nfs/dbraw/zinc/88/60/78/1027886078.db2.gz JQRVRCBSGHAMDO-CQSZACIVSA-N 2 2 304.400 3.739 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000365613363 1027983497 /nfs/dbraw/zinc/98/34/97/1027983497.db2.gz PAWGKNSWRBDWKT-RISCZKNCSA-N 2 2 323.362 3.679 20 0 DHADLP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccnc1 ZINC000527952494 1027985471 /nfs/dbraw/zinc/98/54/71/1027985471.db2.gz UCYJCOZAQOCUFS-RBUKOAKNSA-N 2 2 301.478 3.919 20 0 DHADLP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cccnc1 ZINC000527952494 1027985491 /nfs/dbraw/zinc/98/54/91/1027985491.db2.gz UCYJCOZAQOCUFS-RBUKOAKNSA-N 2 2 301.478 3.919 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000814290979 1027991762 /nfs/dbraw/zinc/99/17/62/1027991762.db2.gz VGPJIXQAKLQVQC-VJSYINPZSA-N 2 2 316.489 3.700 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000528003032 1028032094 /nfs/dbraw/zinc/03/20/94/1028032094.db2.gz RKBLAJXCHREGEV-PQEBFOHHSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000528003032 1028032117 /nfs/dbraw/zinc/03/21/17/1028032117.db2.gz RKBLAJXCHREGEV-PQEBFOHHSA-N 2 2 304.503 3.847 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(OC)cc1 ZINC000528015804 1028060589 /nfs/dbraw/zinc/06/05/89/1028060589.db2.gz YWNFTOBIXDHCNI-IEBWSBKVSA-N 2 2 302.462 3.753 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(OC)cc1 ZINC000528015804 1028060604 /nfs/dbraw/zinc/06/06/04/1028060604.db2.gz YWNFTOBIXDHCNI-IEBWSBKVSA-N 2 2 302.462 3.753 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCSc3ccccc31)CCC2 ZINC000366212199 1028061170 /nfs/dbraw/zinc/06/11/70/1028061170.db2.gz VQJWDZGTWVQQCL-HOCLYGCPSA-N 2 2 313.470 3.896 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)CCC2 ZINC000366492122 1028088365 /nfs/dbraw/zinc/08/83/65/1028088365.db2.gz UKIHJIYIKVJTML-QZTJIDSGSA-N 2 2 310.445 3.595 20 0 DHADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000563571234 1028112440 /nfs/dbraw/zinc/11/24/40/1028112440.db2.gz MQEUSERBRFNHGX-QRWLVFNGSA-N 2 2 314.473 3.895 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000367088732 1028136495 /nfs/dbraw/zinc/13/64/95/1028136495.db2.gz XWVGLSLTQKZCFC-FUHWJXTLSA-N 2 2 322.518 3.507 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1nc(-c2ccccc2)cs1 ZINC000578404719 1028141638 /nfs/dbraw/zinc/14/16/38/1028141638.db2.gz BGVQAHWQKDGQER-GXTWGEPZSA-N 2 2 324.453 3.741 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)[C@H]1C[C@@H]1c1cccs1 ZINC000367436668 1028184648 /nfs/dbraw/zinc/18/46/48/1028184648.db2.gz GYYLEFMWIWFPLP-BARDWOONSA-N 2 2 301.459 3.604 20 0 DHADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000367573774 1028206307 /nfs/dbraw/zinc/20/63/07/1028206307.db2.gz FKYJZDIQENLLHE-YVEFUNNKSA-N 2 2 306.425 3.500 20 0 DHADLP Clc1ccc([C@H]2CC[C@H]([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000449060659 1028299092 /nfs/dbraw/zinc/29/90/92/1028299092.db2.gz DMIQVQWGWVHAAK-RDJZCZTQSA-N 2 2 303.837 3.853 20 0 DHADLP Fc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)cc1 ZINC000368098247 1028299474 /nfs/dbraw/zinc/29/94/74/1028299474.db2.gz BDNPHHUUTDAWMV-LPHOPBHVSA-N 2 2 313.420 3.927 20 0 DHADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@H]1CCC12CCOCC2 ZINC000564100202 1028304716 /nfs/dbraw/zinc/30/47/16/1028304716.db2.gz LTSWTEFRYVWKPH-SFHVURJKSA-N 2 2 320.521 3.582 20 0 DHADLP C[C@H](Cc1coc2ccccc12)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000449072598 1028337433 /nfs/dbraw/zinc/33/74/33/1028337433.db2.gz FQKLXSPYDITLRH-OAHLLOKOSA-N 2 2 323.440 3.729 20 0 DHADLP Cn1cc([C@@H]2[C@H](C[NH2+]C3CCCCCCC3)CCC[N@@H+]2C)cn1 ZINC000368401733 1028347488 /nfs/dbraw/zinc/34/74/88/1028347488.db2.gz GARVLXHQFFMLKS-LPHOPBHVSA-N 2 2 318.509 3.506 20 0 DHADLP Cn1cc([C@@H]2[C@H](C[NH2+]C3CCCCCCC3)CCC[N@H+]2C)cn1 ZINC000368401733 1028347505 /nfs/dbraw/zinc/34/75/05/1028347505.db2.gz GARVLXHQFFMLKS-LPHOPBHVSA-N 2 2 318.509 3.506 20 0 DHADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000449140703 1028395111 /nfs/dbraw/zinc/39/51/11/1028395111.db2.gz JWVVCVLAWGFLHZ-NUJGCVRESA-N 2 2 303.494 3.706 20 0 DHADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000449140703 1028395131 /nfs/dbraw/zinc/39/51/31/1028395131.db2.gz JWVVCVLAWGFLHZ-NUJGCVRESA-N 2 2 303.494 3.706 20 0 DHADLP Cc1ccc2sc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)nc2c1 ZINC000528406679 1028398932 /nfs/dbraw/zinc/39/89/32/1028398932.db2.gz PJHIKXMFGLNXKM-HOCLYGCPSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1ccc2sc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)nc2c1 ZINC000528406679 1028398946 /nfs/dbraw/zinc/39/89/46/1028398946.db2.gz PJHIKXMFGLNXKM-HOCLYGCPSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1ccc2sc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)nc2c1 ZINC000528406679 1028398963 /nfs/dbraw/zinc/39/89/63/1028398963.db2.gz PJHIKXMFGLNXKM-HOCLYGCPSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1ccc2sc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)nc2c1 ZINC000528406679 1028398975 /nfs/dbraw/zinc/39/89/75/1028398975.db2.gz PJHIKXMFGLNXKM-HOCLYGCPSA-N 2 2 315.486 3.521 20 0 DHADLP FC(F)c1ccc(C[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000368785002 1028408990 /nfs/dbraw/zinc/40/89/90/1028408990.db2.gz SQYVJKIPOQDJIQ-INIZCTEOSA-N 2 2 319.399 3.775 20 0 DHADLP FC(F)c1ccc(C[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000368785002 1028408997 /nfs/dbraw/zinc/40/89/97/1028408997.db2.gz SQYVJKIPOQDJIQ-INIZCTEOSA-N 2 2 319.399 3.775 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000369032557 1028435550 /nfs/dbraw/zinc/43/55/50/1028435550.db2.gz MKXXXZMKEMFONU-HNNXBMFYSA-N 2 2 324.428 3.985 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000369032557 1028435560 /nfs/dbraw/zinc/43/55/60/1028435560.db2.gz MKXXXZMKEMFONU-HNNXBMFYSA-N 2 2 324.428 3.985 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccco2)[C@H]1c1cccc(Cl)c1 ZINC000369336769 1028474071 /nfs/dbraw/zinc/47/40/71/1028474071.db2.gz CSFWXPGBNUKKFF-WMLDXEAASA-N 2 2 304.821 3.716 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccco2)[C@H]1c1cccc(Cl)c1 ZINC000369336769 1028474079 /nfs/dbraw/zinc/47/40/79/1028474079.db2.gz CSFWXPGBNUKKFF-WMLDXEAASA-N 2 2 304.821 3.716 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)c2ccccc21 ZINC000564825904 1028506238 /nfs/dbraw/zinc/50/62/38/1028506238.db2.gz QAEBJRNBPBJCDT-OALUTQOASA-N 2 2 323.440 3.637 20 0 DHADLP Cc1cccc(CC[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000449261919 1028514916 /nfs/dbraw/zinc/51/49/16/1028514916.db2.gz FRXPAUXWKMXEHP-GOSISDBHSA-N 2 2 309.457 3.560 20 0 DHADLP Cc1cccc(CC[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000449261919 1028514927 /nfs/dbraw/zinc/51/49/27/1028514927.db2.gz FRXPAUXWKMXEHP-GOSISDBHSA-N 2 2 309.457 3.560 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000449331671 1028540768 /nfs/dbraw/zinc/54/07/68/1028540768.db2.gz OXVJLXZEXYZLPF-DNVCBOLYSA-N 2 2 312.457 3.620 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000449331671 1028540774 /nfs/dbraw/zinc/54/07/74/1028540774.db2.gz OXVJLXZEXYZLPF-DNVCBOLYSA-N 2 2 312.457 3.620 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000449331671 1028540794 /nfs/dbraw/zinc/54/07/94/1028540794.db2.gz OXVJLXZEXYZLPF-DNVCBOLYSA-N 2 2 312.457 3.620 20 0 DHADLP COc1cc2ccccc2cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000449331671 1028540813 /nfs/dbraw/zinc/54/08/13/1028540813.db2.gz OXVJLXZEXYZLPF-DNVCBOLYSA-N 2 2 312.457 3.620 20 0 DHADLP C[N@H+](CCSC(C)(C)C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000370165492 1028573293 /nfs/dbraw/zinc/57/32/93/1028573293.db2.gz VWDSDWRLEUTPSK-IRXDYDNUSA-N 2 2 321.534 3.538 20 0 DHADLP C[N@@H+](CCSC(C)(C)C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000370165492 1028573298 /nfs/dbraw/zinc/57/32/98/1028573298.db2.gz VWDSDWRLEUTPSK-IRXDYDNUSA-N 2 2 321.534 3.538 20 0 DHADLP C[NH+](CCSC(C)(C)C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370165492 1028573310 /nfs/dbraw/zinc/57/33/10/1028573310.db2.gz VWDSDWRLEUTPSK-IRXDYDNUSA-N 2 2 321.534 3.538 20 0 DHADLP C[NH+](CCSC(C)(C)C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370165492 1028573321 /nfs/dbraw/zinc/57/33/21/1028573321.db2.gz VWDSDWRLEUTPSK-IRXDYDNUSA-N 2 2 321.534 3.538 20 0 DHADLP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370172201 1028574621 /nfs/dbraw/zinc/57/46/21/1028574621.db2.gz JLRFPHAQQWUTDN-YYWHXJBOSA-N 2 2 323.484 3.604 20 0 DHADLP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370172201 1028574628 /nfs/dbraw/zinc/57/46/28/1028574628.db2.gz JLRFPHAQQWUTDN-YYWHXJBOSA-N 2 2 323.484 3.604 20 0 DHADLP CCSc1cccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000370375531 1028596938 /nfs/dbraw/zinc/59/69/38/1028596938.db2.gz SFRSFTUUZYZDFO-INIZCTEOSA-N 2 2 315.486 3.971 20 0 DHADLP Cc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000370409346 1028598997 /nfs/dbraw/zinc/59/89/97/1028598997.db2.gz DJWAHHQEOJAGFW-PMACEKPBSA-N 2 2 309.457 3.515 20 0 DHADLP Cc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000370409346 1028599007 /nfs/dbraw/zinc/59/90/07/1028599007.db2.gz DJWAHHQEOJAGFW-PMACEKPBSA-N 2 2 309.457 3.515 20 0 DHADLP Cc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000370409346 1028599011 /nfs/dbraw/zinc/59/90/11/1028599011.db2.gz DJWAHHQEOJAGFW-PMACEKPBSA-N 2 2 309.457 3.515 20 0 DHADLP Cc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000370409346 1028599024 /nfs/dbraw/zinc/59/90/24/1028599024.db2.gz DJWAHHQEOJAGFW-PMACEKPBSA-N 2 2 309.457 3.515 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H](Cc2ccc(C)cc2)c2ccccn2)n1C ZINC000565608718 1028607624 /nfs/dbraw/zinc/60/76/24/1028607624.db2.gz FJJDAVAMHKXUEL-FQEVSTJZSA-N 2 2 320.440 3.506 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000370494811 1028608608 /nfs/dbraw/zinc/60/86/08/1028608608.db2.gz KSPZZNRJZHJLIF-QZTJIDSGSA-N 3 2 318.509 3.518 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@H](Cc2ccc(C)cc2)c2ccccn2)n1C ZINC000565608726 1028608940 /nfs/dbraw/zinc/60/89/40/1028608940.db2.gz FJJDAVAMHKXUEL-HXUWFJFHSA-N 2 2 320.440 3.506 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370576884 1028620471 /nfs/dbraw/zinc/62/04/71/1028620471.db2.gz ANFGAEHWKAFFOT-ICSRJNTNSA-N 2 2 323.484 3.953 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370576884 1028620477 /nfs/dbraw/zinc/62/04/77/1028620477.db2.gz ANFGAEHWKAFFOT-ICSRJNTNSA-N 2 2 323.484 3.953 20 0 DHADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566010433 1028668320 /nfs/dbraw/zinc/66/83/20/1028668320.db2.gz VEZSPFQMONNEMX-XJKSGUPXSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566010433 1028668325 /nfs/dbraw/zinc/66/83/25/1028668325.db2.gz VEZSPFQMONNEMX-XJKSGUPXSA-N 2 2 323.278 3.586 20 0 DHADLP CO[C@](C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000449483077 1028693739 /nfs/dbraw/zinc/69/37/39/1028693739.db2.gz GCUVDDLNBBLPNW-HXUWFJFHSA-N 2 2 321.424 3.524 20 0 DHADLP C[C@H]1C[N@H+](CCCc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000566855106 1028792951 /nfs/dbraw/zinc/79/29/51/1028792951.db2.gz ACIGPLWIKPZIML-NHYWBVRUSA-N 2 2 301.261 3.595 20 0 DHADLP C[C@H]1C[N@@H+](CCCc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000566855106 1028792955 /nfs/dbraw/zinc/79/29/55/1028792955.db2.gz ACIGPLWIKPZIML-NHYWBVRUSA-N 2 2 301.261 3.595 20 0 DHADLP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000372047335 1028797752 /nfs/dbraw/zinc/79/77/52/1028797752.db2.gz XRUUQBXVTWVBMT-QILLFSRXSA-N 2 2 324.896 3.738 20 0 DHADLP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000372047335 1028797765 /nfs/dbraw/zinc/79/77/65/1028797765.db2.gz XRUUQBXVTWVBMT-QILLFSRXSA-N 2 2 324.896 3.738 20 0 DHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000567200816 1028854700 /nfs/dbraw/zinc/85/47/00/1028854700.db2.gz XZOCSDFJVTZYIT-UHFFFAOYSA-N 2 2 308.372 3.608 20 0 DHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000567200816 1028854719 /nfs/dbraw/zinc/85/47/19/1028854719.db2.gz XZOCSDFJVTZYIT-UHFFFAOYSA-N 2 2 308.372 3.608 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000567391927 1028886157 /nfs/dbraw/zinc/88/61/57/1028886157.db2.gz YBDVTQHEZYJXPT-BEFAXECRSA-N 2 2 311.473 3.785 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000567391927 1028886163 /nfs/dbraw/zinc/88/61/63/1028886163.db2.gz YBDVTQHEZYJXPT-BEFAXECRSA-N 2 2 311.473 3.785 20 0 DHADLP FCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000567501329 1028905658 /nfs/dbraw/zinc/90/56/58/1028905658.db2.gz NRGBCVQIFHIOGH-QGZVFWFLSA-N 2 2 302.437 3.665 20 0 DHADLP FCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000567501329 1028905667 /nfs/dbraw/zinc/90/56/67/1028905667.db2.gz NRGBCVQIFHIOGH-QGZVFWFLSA-N 2 2 302.437 3.665 20 0 DHADLP C[C@@]1(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCS1 ZINC000628262791 1028973838 /nfs/dbraw/zinc/97/38/38/1028973838.db2.gz ZBENFJHJXZTIGP-QAPCUYQASA-N 2 2 319.518 3.685 20 0 DHADLP C[C@@]1(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCS1 ZINC000628262791 1028973856 /nfs/dbraw/zinc/97/38/56/1028973856.db2.gz ZBENFJHJXZTIGP-QAPCUYQASA-N 2 2 319.518 3.685 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281025 1028988907 /nfs/dbraw/zinc/98/89/07/1028988907.db2.gz WEQIGVWUMPIUGH-CMPLNLGQSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281025 1028988923 /nfs/dbraw/zinc/98/89/23/1028988923.db2.gz WEQIGVWUMPIUGH-CMPLNLGQSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281025 1028988938 /nfs/dbraw/zinc/98/89/38/1028988938.db2.gz WEQIGVWUMPIUGH-CMPLNLGQSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281025 1028988955 /nfs/dbraw/zinc/98/89/55/1028988955.db2.gz WEQIGVWUMPIUGH-CMPLNLGQSA-N 2 2 306.397 3.539 20 0 DHADLP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000373384626 1029029219 /nfs/dbraw/zinc/02/92/19/1029029219.db2.gz NUYXDNJNUYHKPQ-LEAZDLGRSA-N 2 2 315.505 3.879 20 0 DHADLP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000373384626 1029029232 /nfs/dbraw/zinc/02/92/32/1029029232.db2.gz NUYXDNJNUYHKPQ-LEAZDLGRSA-N 2 2 315.505 3.879 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000568328516 1029046525 /nfs/dbraw/zinc/04/65/25/1029046525.db2.gz ZUIQFWUHPZRMPR-XYPWUTKMSA-N 2 2 322.880 3.796 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000568328516 1029046538 /nfs/dbraw/zinc/04/65/38/1029046538.db2.gz ZUIQFWUHPZRMPR-XYPWUTKMSA-N 2 2 322.880 3.796 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000568328516 1029046554 /nfs/dbraw/zinc/04/65/54/1029046554.db2.gz ZUIQFWUHPZRMPR-XYPWUTKMSA-N 2 2 322.880 3.796 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568328516 1029046560 /nfs/dbraw/zinc/04/65/60/1029046560.db2.gz ZUIQFWUHPZRMPR-XYPWUTKMSA-N 2 2 322.880 3.796 20 0 DHADLP C[C@H]1CCCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373492472 1029064958 /nfs/dbraw/zinc/06/49/58/1029064958.db2.gz DRCCNNCFCWIUBI-HOJRLLLISA-N 2 2 318.427 3.960 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccnc2)CC1(C)C ZINC000623400087 1029079140 /nfs/dbraw/zinc/07/91/40/1029079140.db2.gz INACWMHDSJWJNN-RBUKOAKNSA-N 2 2 309.457 3.633 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccnc2)CC1(C)C ZINC000623400087 1029079160 /nfs/dbraw/zinc/07/91/60/1029079160.db2.gz INACWMHDSJWJNN-RBUKOAKNSA-N 2 2 309.457 3.633 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(OC(C)C)CC1 ZINC000568704709 1029115551 /nfs/dbraw/zinc/11/55/51/1029115551.db2.gz XJSCLTJGKDAZRS-UHFFFAOYSA-N 2 2 313.445 3.570 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccncc1Cl ZINC000817575247 1029203500 /nfs/dbraw/zinc/20/35/00/1029203500.db2.gz GOORSYJDJACLHF-SWLSCSKDSA-N 2 2 306.841 3.697 20 0 DHADLP CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)CCC2 ZINC000817923263 1029274451 /nfs/dbraw/zinc/27/44/51/1029274451.db2.gz VKILAAZDKIUIMM-NJAFHUGGSA-N 2 2 318.509 3.742 20 0 DHADLP CC(C)[N@H+](C)CC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000569922539 1029287639 /nfs/dbraw/zinc/28/76/39/1029287639.db2.gz JCZBPJCMFHDHOA-UHFFFAOYSA-N 2 2 315.436 3.931 20 0 DHADLP CC(C)[N@@H+](C)CC1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000569922539 1029287651 /nfs/dbraw/zinc/28/76/51/1029287651.db2.gz JCZBPJCMFHDHOA-UHFFFAOYSA-N 2 2 315.436 3.931 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(SC(F)F)cc1 ZINC000817950714 1029291557 /nfs/dbraw/zinc/29/15/57/1029291557.db2.gz XLMFPOAUFMFQBH-WCQYABFASA-N 2 2 300.418 3.794 20 0 DHADLP Clc1cccc2c1C[C@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001170895729 1029360979 /nfs/dbraw/zinc/36/09/79/1029360979.db2.gz UIKQHLBOJYQLNU-MRXNPFEDSA-N 2 2 306.881 3.663 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561282 1029368055 /nfs/dbraw/zinc/36/80/55/1029368055.db2.gz ICZZESWEIQKBAY-NTZNESFSSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561282 1029368068 /nfs/dbraw/zinc/36/80/68/1029368068.db2.gz ICZZESWEIQKBAY-NTZNESFSSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563342 1029371911 /nfs/dbraw/zinc/37/19/11/1029371911.db2.gz PKPKHCVVSHWUCH-MPKXVKKWSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563342 1029371927 /nfs/dbraw/zinc/37/19/27/1029371927.db2.gz PKPKHCVVSHWUCH-MPKXVKKWSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563345 1029372148 /nfs/dbraw/zinc/37/21/48/1029372148.db2.gz PKPKHCVVSHWUCH-QKCSRTOESA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563345 1029372163 /nfs/dbraw/zinc/37/21/63/1029372163.db2.gz PKPKHCVVSHWUCH-QKCSRTOESA-N 2 2 320.786 3.860 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000629654259 1029406388 /nfs/dbraw/zinc/40/63/88/1029406388.db2.gz GZEJEVDIACVZEQ-OLZOCXBDSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1Cl ZINC000629654259 1029406396 /nfs/dbraw/zinc/40/63/96/1029406396.db2.gz GZEJEVDIACVZEQ-OLZOCXBDSA-N 2 2 320.786 3.608 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569283 1029427341 /nfs/dbraw/zinc/42/73/41/1029427341.db2.gz NPJIKTOBBQTTQU-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569283 1029427346 /nfs/dbraw/zinc/42/73/46/1029427346.db2.gz NPJIKTOBBQTTQU-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569283 1029427357 /nfs/dbraw/zinc/42/73/57/1029427357.db2.gz NPJIKTOBBQTTQU-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569283 1029427366 /nfs/dbraw/zinc/42/73/66/1029427366.db2.gz NPJIKTOBBQTTQU-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP CCC(CC)(CC)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000374684754 1029432456 /nfs/dbraw/zinc/43/24/56/1029432456.db2.gz XCOITMJROQJRRK-SJLPKXTDSA-N 2 2 320.525 3.609 20 0 DHADLP CCC(CC)(CC)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000374684754 1029432461 /nfs/dbraw/zinc/43/24/61/1029432461.db2.gz XCOITMJROQJRRK-SJLPKXTDSA-N 2 2 320.525 3.609 20 0 DHADLP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)[C@@H]2C1 ZINC000450430412 1029468073 /nfs/dbraw/zinc/46/80/73/1029468073.db2.gz RQFCQNMUZVPVLK-APPDUMDISA-N 2 2 319.811 3.558 20 0 DHADLP C[N@H+]1CC[C@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)[C@@H]2C1 ZINC000450430412 1029468084 /nfs/dbraw/zinc/46/80/84/1029468084.db2.gz RQFCQNMUZVPVLK-APPDUMDISA-N 2 2 319.811 3.558 20 0 DHADLP Fc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282028017 1029492836 /nfs/dbraw/zinc/49/28/36/1029492836.db2.gz KREOQWUVEFRODV-MRXNPFEDSA-N 2 2 313.420 3.738 20 0 DHADLP Fc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282028017 1029492841 /nfs/dbraw/zinc/49/28/41/1029492841.db2.gz KREOQWUVEFRODV-MRXNPFEDSA-N 2 2 313.420 3.738 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000450466814 1029495967 /nfs/dbraw/zinc/49/59/67/1029495967.db2.gz JUSGLONDUMQILL-CRAIPNDOSA-N 2 2 320.452 3.593 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000450466814 1029495974 /nfs/dbraw/zinc/49/59/74/1029495974.db2.gz JUSGLONDUMQILL-CRAIPNDOSA-N 2 2 320.452 3.593 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000450466814 1029495979 /nfs/dbraw/zinc/49/59/79/1029495979.db2.gz JUSGLONDUMQILL-CRAIPNDOSA-N 2 2 320.452 3.593 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(=O)c2ccc(F)cc2)C[C@H]1C ZINC000450466814 1029495988 /nfs/dbraw/zinc/49/59/88/1029495988.db2.gz JUSGLONDUMQILL-CRAIPNDOSA-N 2 2 320.452 3.593 20 0 DHADLP C[N@@H+]1CC[C@]2(CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)C2)C1 ZINC000450537483 1029544106 /nfs/dbraw/zinc/54/41/06/1029544106.db2.gz CTVILGFXIZNKRR-KRWDZBQOSA-N 2 2 319.811 3.559 20 0 DHADLP C[N@H+]1CC[C@]2(CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)C2)C1 ZINC000450537483 1029544111 /nfs/dbraw/zinc/54/41/11/1029544111.db2.gz CTVILGFXIZNKRR-KRWDZBQOSA-N 2 2 319.811 3.559 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450631940 1029588946 /nfs/dbraw/zinc/58/89/46/1029588946.db2.gz JCTNAIYJRLCXPO-CEQQRPIWSA-N 2 2 309.457 3.778 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450631940 1029588949 /nfs/dbraw/zinc/58/89/49/1029588949.db2.gz JCTNAIYJRLCXPO-CEQQRPIWSA-N 2 2 309.457 3.778 20 0 DHADLP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170942508 1029649954 /nfs/dbraw/zinc/64/99/54/1029649954.db2.gz JMOHUCQIGXJNNF-MRXNPFEDSA-N 2 2 306.881 3.613 20 0 DHADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170942508 1029649973 /nfs/dbraw/zinc/64/99/73/1029649973.db2.gz JMOHUCQIGXJNNF-MRXNPFEDSA-N 2 2 306.881 3.613 20 0 DHADLP Clc1ccccc1C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccoc1 ZINC000820806001 1029769317 /nfs/dbraw/zinc/76/93/17/1029769317.db2.gz XEPHIWHIWUPNIN-QGZVFWFLSA-N 2 2 315.804 3.703 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290185696 1029938866 /nfs/dbraw/zinc/93/88/66/1029938866.db2.gz FRPMTRBQNVEWJM-DOTOQJQBSA-N 2 2 319.408 3.699 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000290430431 1030046609 /nfs/dbraw/zinc/04/66/09/1030046609.db2.gz VAZUKZMAADMJQC-RZXSNQJFSA-N 2 2 324.468 3.534 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000290430431 1030046627 /nfs/dbraw/zinc/04/66/27/1030046627.db2.gz VAZUKZMAADMJQC-RZXSNQJFSA-N 2 2 324.468 3.534 20 0 DHADLP Cc1cc(C)cc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cccnc2)c1 ZINC000924533417 1030115613 /nfs/dbraw/zinc/11/56/13/1030115613.db2.gz KEVXCLXSCCWGKO-FQEVSTJZSA-N 2 2 320.440 3.664 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924580421 1030129858 /nfs/dbraw/zinc/12/98/58/1030129858.db2.gz WWEASXQTFMGDSP-MRXNPFEDSA-N 2 2 307.869 3.576 20 0 DHADLP c1c(CC[NH2+][C@H](C2CCC2)C2CCCC2)[nH+]c2n1CCCC2 ZINC000924645339 1030149463 /nfs/dbraw/zinc/14/94/63/1030149463.db2.gz IMHSVFMEIKFNPZ-IBGZPJMESA-N 2 2 301.478 3.710 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ncco1 ZINC000924668477 1030153702 /nfs/dbraw/zinc/15/37/02/1030153702.db2.gz QKZGDWIFOMSUNF-HOTGVXAUSA-N 2 2 313.445 3.757 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ncco1 ZINC000924668477 1030153715 /nfs/dbraw/zinc/15/37/15/1030153715.db2.gz QKZGDWIFOMSUNF-HOTGVXAUSA-N 2 2 313.445 3.757 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000924696895 1030162424 /nfs/dbraw/zinc/16/24/24/1030162424.db2.gz QVGOLNCGKXHINU-ACRUOGEOSA-N 2 2 321.468 3.696 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000924696895 1030162430 /nfs/dbraw/zinc/16/24/30/1030162430.db2.gz QVGOLNCGKXHINU-ACRUOGEOSA-N 2 2 321.468 3.696 20 0 DHADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(SC(F)(F)F)c1 ZINC000866217090 1030162905 /nfs/dbraw/zinc/16/29/05/1030162905.db2.gz XVXSRTLPYCVFST-NSHDSACASA-N 2 2 315.364 3.846 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(-c2ccccc2)no1 ZINC000924696422 1030163215 /nfs/dbraw/zinc/16/32/15/1030163215.db2.gz GDPSUFSNLKWTAU-USXIJHARSA-N 2 2 311.429 3.619 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(-c2ccccc2)no1 ZINC000924696422 1030163219 /nfs/dbraw/zinc/16/32/19/1030163219.db2.gz GDPSUFSNLKWTAU-USXIJHARSA-N 2 2 311.429 3.619 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924750254 1030179002 /nfs/dbraw/zinc/17/90/02/1030179002.db2.gz DQYOEIXFSUFLQI-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924750254 1030179009 /nfs/dbraw/zinc/17/90/09/1030179009.db2.gz DQYOEIXFSUFLQI-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccns2)cc1F ZINC000924775546 1030184691 /nfs/dbraw/zinc/18/46/91/1030184691.db2.gz JPWSWZXMSJCEEW-NSHDSACASA-N 2 2 316.405 3.627 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866273402 1030194330 /nfs/dbraw/zinc/19/43/30/1030194330.db2.gz LNIHXTMDECIOTK-WOPDTQHZSA-N 2 2 307.825 3.615 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866273402 1030194335 /nfs/dbraw/zinc/19/43/35/1030194335.db2.gz LNIHXTMDECIOTK-WOPDTQHZSA-N 2 2 307.825 3.615 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2Cl)CC[NH2+]1 ZINC001246228615 1030209777 /nfs/dbraw/zinc/20/97/77/1030209777.db2.gz YJOLGIWOOPZCDA-MWLCHTKSSA-N 2 2 306.759 3.589 20 0 DHADLP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]CCCCNc2cccc[nH+]2)nc1 ZINC000924928440 1030228084 /nfs/dbraw/zinc/22/80/84/1030228084.db2.gz VZVJCKKPZRUUGO-MJGOQNOKSA-N 2 2 324.472 3.670 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cnn(C2CCC2)c1 ZINC000924924887 1030228482 /nfs/dbraw/zinc/22/84/82/1030228482.db2.gz CMOKUHUZIJOXQY-HNNXBMFYSA-N 2 2 313.449 3.546 20 0 DHADLP Clc1cccc2c1CC[C@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001171014719 1030263575 /nfs/dbraw/zinc/26/35/75/1030263575.db2.gz VDBCRTFKYXNGPP-INIZCTEOSA-N 2 2 306.881 3.663 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC[N@@H+]1C ZINC000866576491 1030383904 /nfs/dbraw/zinc/38/39/04/1030383904.db2.gz GJBWDLRIGHTOFY-JOYOIKCWSA-N 2 2 305.224 3.705 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC[N@H+]1C ZINC000866576491 1030383922 /nfs/dbraw/zinc/38/39/22/1030383922.db2.gz GJBWDLRIGHTOFY-JOYOIKCWSA-N 2 2 305.224 3.705 20 0 DHADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000925625592 1030424867 /nfs/dbraw/zinc/42/48/67/1030424867.db2.gz GTUFSBUJDQSAOO-BBRMVZONSA-N 2 2 317.502 3.661 20 0 DHADLP C[C@H]([NH3+])[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1ccccc1 ZINC000925718352 1030462741 /nfs/dbraw/zinc/46/27/41/1030462741.db2.gz LGFPKIMBQIDRBJ-JSGCOSHPSA-N 2 2 300.368 3.787 20 0 DHADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1ccccc1 ZINC000925718354 1030463325 /nfs/dbraw/zinc/46/33/25/1030463325.db2.gz LGFPKIMBQIDRBJ-TZMCWYRMSA-N 2 2 300.368 3.787 20 0 DHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccsc1Cl ZINC001136819160 1030464159 /nfs/dbraw/zinc/46/41/59/1030464159.db2.gz WEYWBFJVLQFVNB-UHFFFAOYSA-N 2 2 318.789 3.543 20 0 DHADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925748597 1030477414 /nfs/dbraw/zinc/47/74/14/1030477414.db2.gz WOQULOIFMYFZBT-ZDUSSCGKSA-N 2 2 323.465 3.874 20 0 DHADLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925748597 1030477421 /nfs/dbraw/zinc/47/74/21/1030477421.db2.gz WOQULOIFMYFZBT-ZDUSSCGKSA-N 2 2 323.465 3.874 20 0 DHADLP C[C@H]1CC[C@H]([N@@H+]2CCc3sc(C[NH3+])nc3C2)c2sccc21 ZINC000925750659 1030480642 /nfs/dbraw/zinc/48/06/42/1030480642.db2.gz UGVSHZQDJFGDSM-GWCFXTLKSA-N 2 2 319.499 3.660 20 0 DHADLP C[C@H]1CC[C@H]([N@H+]2CCc3sc(C[NH3+])nc3C2)c2sccc21 ZINC000925750659 1030480647 /nfs/dbraw/zinc/48/06/47/1030480647.db2.gz UGVSHZQDJFGDSM-GWCFXTLKSA-N 2 2 319.499 3.660 20 0 DHADLP Clc1cscc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925769485 1030487805 /nfs/dbraw/zinc/48/78/05/1030487805.db2.gz DVOHWZSNDJFDGU-HOCLYGCPSA-N 2 2 306.862 3.984 20 0 DHADLP CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000358504463 1030518132 /nfs/dbraw/zinc/51/81/32/1030518132.db2.gz GPXAFXKOGWXAPP-HNNXBMFYSA-N 2 2 306.413 3.681 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccnc(Cl)c2F)cc1 ZINC000824382970 1030544423 /nfs/dbraw/zinc/54/44/23/1030544423.db2.gz IBKJFKLAJJCAHL-UHFFFAOYSA-N 2 2 321.827 3.568 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccnc(Cl)c2F)cc1 ZINC000824382970 1030544435 /nfs/dbraw/zinc/54/44/35/1030544435.db2.gz IBKJFKLAJJCAHL-UHFFFAOYSA-N 2 2 321.827 3.568 20 0 DHADLP CSC1CC([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)C1 ZINC000925959330 1030557198 /nfs/dbraw/zinc/55/71/98/1030557198.db2.gz DQBGVMFJQWSFRE-UHFFFAOYSA-N 2 2 319.518 3.523 20 0 DHADLP C[C@@H](C[NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000558405612 1030562221 /nfs/dbraw/zinc/56/22/21/1030562221.db2.gz WHELONJDDQHTLE-STQMWFEESA-N 2 2 314.395 3.881 20 0 DHADLP C[C@@H](C[NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000558405612 1030562227 /nfs/dbraw/zinc/56/22/27/1030562227.db2.gz WHELONJDDQHTLE-STQMWFEESA-N 2 2 314.395 3.881 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1(Cl)CC1 ZINC000926330463 1030700233 /nfs/dbraw/zinc/70/02/33/1030700233.db2.gz MQZGAIFVASBHQC-PKSQDBQZSA-N 2 2 324.818 3.541 20 0 DHADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)n1 ZINC000248563349 1030737590 /nfs/dbraw/zinc/73/75/90/1030737590.db2.gz NVPBRCMJWVUHFX-MJGOQNOKSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)n1 ZINC000248563349 1030737604 /nfs/dbraw/zinc/73/76/04/1030737604.db2.gz NVPBRCMJWVUHFX-MJGOQNOKSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)n1 ZINC000248563349 1030737618 /nfs/dbraw/zinc/73/76/18/1030737618.db2.gz NVPBRCMJWVUHFX-MJGOQNOKSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)n1 ZINC000248563349 1030737640 /nfs/dbraw/zinc/73/76/40/1030737640.db2.gz NVPBRCMJWVUHFX-MJGOQNOKSA-N 2 2 315.505 3.785 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1csc(C(F)(F)F)c1 ZINC000926451434 1030745781 /nfs/dbraw/zinc/74/57/81/1030745781.db2.gz ZZSYMTPOMVOWAB-SCZZXKLOSA-N 2 2 315.364 3.698 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000926752559 1030905886 /nfs/dbraw/zinc/90/58/86/1030905886.db2.gz AUDRBPLPGXORHC-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000926752559 1030905893 /nfs/dbraw/zinc/90/58/93/1030905893.db2.gz AUDRBPLPGXORHC-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP C[C@H]([NH2+]Cc1ncc(Cl)s1)c1cccc(C[NH+](C)C)c1 ZINC000926828342 1030945859 /nfs/dbraw/zinc/94/58/59/1030945859.db2.gz GCXCEBVXUJTHJB-NSHDSACASA-N 2 2 309.866 3.709 20 0 DHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171107356 1030973551 /nfs/dbraw/zinc/97/35/51/1030973551.db2.gz BAUARVATBQGQJS-MSOLQXFVSA-N 2 2 306.881 3.517 20 0 DHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171107356 1030973563 /nfs/dbraw/zinc/97/35/63/1030973563.db2.gz BAUARVATBQGQJS-MSOLQXFVSA-N 2 2 306.881 3.517 20 0 DHADLP Cc1cnc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c(C)c1 ZINC000926955190 1031015544 /nfs/dbraw/zinc/01/55/44/1031015544.db2.gz QABKUPRPVJSTJB-KXBFYZLASA-N 2 2 315.505 3.831 20 0 DHADLP CC(C)[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cnn(C)c1 ZINC000927069993 1031070403 /nfs/dbraw/zinc/07/04/03/1031070403.db2.gz YJUQMETZAGFNFF-DNVCBOLYSA-N 2 2 323.444 3.654 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cn1 ZINC000359663890 1031084639 /nfs/dbraw/zinc/08/46/39/1031084639.db2.gz WWKAHTHIORTOIK-CYBMUJFWSA-N 2 2 312.804 3.772 20 0 DHADLP CC(C)O[C@H](C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000292591811 1031084834 /nfs/dbraw/zinc/08/48/34/1031084834.db2.gz VEYYQYSREXBZHE-NZSAHSFTSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)O[C@H](C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000292591811 1031084851 /nfs/dbraw/zinc/08/48/51/1031084851.db2.gz VEYYQYSREXBZHE-NZSAHSFTSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)O[C@H](C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000292591811 1031084865 /nfs/dbraw/zinc/08/48/65/1031084865.db2.gz VEYYQYSREXBZHE-NZSAHSFTSA-N 2 2 304.478 3.567 20 0 DHADLP CC(C)O[C@H](C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000292591811 1031084872 /nfs/dbraw/zinc/08/48/72/1031084872.db2.gz VEYYQYSREXBZHE-NZSAHSFTSA-N 2 2 304.478 3.567 20 0 DHADLP Cc1c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cccc1C(F)(F)F ZINC001143930711 1031105648 /nfs/dbraw/zinc/10/56/48/1031105648.db2.gz UTVKDOXLOKXCBO-INIZCTEOSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cccc1C(F)(F)F ZINC001143930711 1031105654 /nfs/dbraw/zinc/10/56/54/1031105654.db2.gz UTVKDOXLOKXCBO-INIZCTEOSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cccc1C(F)(F)F ZINC001143930711 1031105664 /nfs/dbraw/zinc/10/56/64/1031105664.db2.gz UTVKDOXLOKXCBO-INIZCTEOSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cccc1C(F)(F)F ZINC001143930711 1031105672 /nfs/dbraw/zinc/10/56/72/1031105672.db2.gz UTVKDOXLOKXCBO-INIZCTEOSA-N 2 2 312.379 3.541 20 0 DHADLP C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927160693 1031124146 /nfs/dbraw/zinc/12/41/46/1031124146.db2.gz UMPQRMSVYPPFGE-MAUKXSAKSA-N 2 2 311.429 3.625 20 0 DHADLP C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000359869006 1031171879 /nfs/dbraw/zinc/17/18/79/1031171879.db2.gz FHAAVBWPBUIAFI-MRXNPFEDSA-N 2 2 319.408 3.655 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1OC(F)F ZINC000359934800 1031203431 /nfs/dbraw/zinc/20/34/31/1031203431.db2.gz NLISPTZJWIVNKO-HRCADAONSA-N 2 2 324.415 3.956 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1OC(F)F ZINC000359934800 1031203446 /nfs/dbraw/zinc/20/34/46/1031203446.db2.gz NLISPTZJWIVNKO-HRCADAONSA-N 2 2 324.415 3.956 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1OC(F)F ZINC000359934796 1031203550 /nfs/dbraw/zinc/20/35/50/1031203550.db2.gz NLISPTZJWIVNKO-ARFHVFGLSA-N 2 2 324.415 3.956 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1OC(F)F ZINC000359934796 1031203565 /nfs/dbraw/zinc/20/35/65/1031203565.db2.gz NLISPTZJWIVNKO-ARFHVFGLSA-N 2 2 324.415 3.956 20 0 DHADLP Clc1sccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000359955866 1031215165 /nfs/dbraw/zinc/21/51/65/1031215165.db2.gz BOWGDKCJRHKFLH-UHFFFAOYSA-N 2 2 317.845 3.936 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)Sc2ccccc21 ZINC000872021465 1031404011 /nfs/dbraw/zinc/40/40/11/1031404011.db2.gz PSMRYBFYENRZKK-HIFRSBDPSA-N 2 2 301.459 3.877 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(O)ccc1F ZINC000872040933 1031426181 /nfs/dbraw/zinc/42/61/81/1031426181.db2.gz OKLVCQZPYWRQTA-CYBMUJFWSA-N 2 2 306.425 3.589 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCCOC1 ZINC000872090699 1031488629 /nfs/dbraw/zinc/48/86/29/1031488629.db2.gz CNWCKJVBHIZTFF-WDSOQIARSA-N 2 2 308.510 3.578 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCCOC1 ZINC000872090699 1031488636 /nfs/dbraw/zinc/48/86/36/1031488636.db2.gz CNWCKJVBHIZTFF-WDSOQIARSA-N 2 2 308.510 3.578 20 0 DHADLP CC(C)(C)c1csc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925498023 1031576421 /nfs/dbraw/zinc/57/64/21/1031576421.db2.gz AZCMWEYBKOQFKD-CABCVRRESA-N 2 2 321.534 3.699 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000930056212 1031688292 /nfs/dbraw/zinc/68/82/92/1031688292.db2.gz WLVGQFBXJFINOH-YJBOKZPZSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000930056212 1031688299 /nfs/dbraw/zinc/68/82/99/1031688299.db2.gz WLVGQFBXJFINOH-YJBOKZPZSA-N 2 2 322.412 3.621 20 0 DHADLP CCc1nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC000361063617 1031706758 /nfs/dbraw/zinc/70/67/58/1031706758.db2.gz SYQKAIMKXNGKPO-UHFFFAOYSA-N 2 2 318.490 3.594 20 0 DHADLP CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000361153764 1031758464 /nfs/dbraw/zinc/75/84/64/1031758464.db2.gz NJZGPUHRAMHADW-IFXJQAMLSA-N 2 2 300.446 3.839 20 0 DHADLP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296656 1031793479 /nfs/dbraw/zinc/79/34/79/1031793479.db2.gz KTSLWTRJEHUUEZ-ONERCXAPSA-N 2 2 321.346 3.896 20 0 DHADLP CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000361236358 1031801492 /nfs/dbraw/zinc/80/14/92/1031801492.db2.gz DUNAVWYUBVUPHN-ROUUACIJSA-N 2 2 313.445 3.554 20 0 DHADLP Fc1ccccc1C1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000361235537 1031801572 /nfs/dbraw/zinc/80/15/72/1031801572.db2.gz CEBBOOAVVNYMIF-UHFFFAOYSA-N 2 2 307.372 3.611 20 0 DHADLP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000361236008 1031802000 /nfs/dbraw/zinc/80/20/00/1031802000.db2.gz HCOIHHUANRPGOX-QZTJIDSGSA-N 2 2 313.445 3.554 20 0 DHADLP Cc1ccccc1C1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCC1 ZINC000845995144 1031813742 /nfs/dbraw/zinc/81/37/42/1031813742.db2.gz PSFKGTMJWDCULY-UHFFFAOYSA-N 2 2 315.486 3.682 20 0 DHADLP C[C@]1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@]1(F)Cl ZINC000846037314 1031830451 /nfs/dbraw/zinc/83/04/51/1031830451.db2.gz OBCCEWDSJXOJKE-HOTGVXAUSA-N 2 2 307.800 3.667 20 0 DHADLP CSCc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897978022 1031907335 /nfs/dbraw/zinc/90/73/35/1031907335.db2.gz KNWXOTVZJSCQOB-UHFFFAOYSA-N 2 2 304.503 3.656 20 0 DHADLP Fc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361493281 1031953150 /nfs/dbraw/zinc/95/31/50/1031953150.db2.gz RCTFESCTNFYPSV-LJQANCHMSA-N 2 2 307.372 3.789 20 0 DHADLP Clc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000561680972 1032025339 /nfs/dbraw/zinc/02/53/39/1032025339.db2.gz ZTPKMWFOHDOSPP-UHFFFAOYSA-N 2 2 318.852 3.624 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001246621610 1032039289 /nfs/dbraw/zinc/03/92/89/1032039289.db2.gz PGYZQNGNFFXCJW-CYBMUJFWSA-N 2 2 310.894 3.506 20 0 DHADLP Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)on1 ZINC000361688481 1032052702 /nfs/dbraw/zinc/05/27/02/1032052702.db2.gz ATGAAEJTUJUBLA-GOSISDBHSA-N 2 2 322.412 3.814 20 0 DHADLP Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2C)on1 ZINC000361688481 1032052717 /nfs/dbraw/zinc/05/27/17/1032052717.db2.gz ATGAAEJTUJUBLA-GOSISDBHSA-N 2 2 322.412 3.814 20 0 DHADLP c1c2ccccc2oc1[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccnc1 ZINC000643522699 1033341876 /nfs/dbraw/zinc/34/18/76/1033341876.db2.gz RZDISQBVQFUYBK-FXAWDEMLSA-N 2 2 321.424 3.649 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000643523129 1033351060 /nfs/dbraw/zinc/35/10/60/1033351060.db2.gz XGIHHXGKOXSYHM-UKRRQHHQSA-N 2 2 301.459 3.603 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172868583 1033406513 /nfs/dbraw/zinc/40/65/13/1033406513.db2.gz IRGLVCPKCXSLNU-GXTWGEPZSA-N 2 2 321.827 3.946 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001172844817 1033415253 /nfs/dbraw/zinc/41/52/53/1033415253.db2.gz ZGKSFGSSPSHHAU-FQEVSTJZSA-N 2 2 321.468 3.506 20 0 DHADLP CCC[NH+]1C[C@@H]2C[NH+]([C@@H](C)Cc3c(F)cccc3Cl)C[C@H]2C1 ZINC001172861043 1033432224 /nfs/dbraw/zinc/43/22/24/1033432224.db2.gz IRPGUAPICAQTMJ-RRFJBIMHSA-N 2 2 324.871 3.684 20 0 DHADLP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172861050 1033432437 /nfs/dbraw/zinc/43/24/37/1033432437.db2.gz IRPGUAPICAQTMJ-SOUVJXGZSA-N 2 2 324.871 3.684 20 0 DHADLP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172861050 1033432445 /nfs/dbraw/zinc/43/24/45/1033432445.db2.gz IRPGUAPICAQTMJ-SOUVJXGZSA-N 2 2 324.871 3.684 20 0 DHADLP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172861050 1033432455 /nfs/dbraw/zinc/43/24/55/1033432455.db2.gz IRPGUAPICAQTMJ-SOUVJXGZSA-N 2 2 324.871 3.684 20 0 DHADLP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172861050 1033432461 /nfs/dbraw/zinc/43/24/61/1033432461.db2.gz IRPGUAPICAQTMJ-SOUVJXGZSA-N 2 2 324.871 3.684 20 0 DHADLP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172885220 1033458362 /nfs/dbraw/zinc/45/83/62/1033458362.db2.gz KZLKOHSDTKMFIZ-AWEZNQCLSA-N 2 2 324.921 3.991 20 0 DHADLP CO[C@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)C1 ZINC001172927372 1033472447 /nfs/dbraw/zinc/47/24/47/1033472447.db2.gz XDMNFMGVZNIUGO-IVAOSVALSA-N 2 2 324.468 3.975 20 0 DHADLP Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152153171 1033504236 /nfs/dbraw/zinc/50/42/36/1033504236.db2.gz NYQTUWBRNHQBNL-UONOGXRCSA-N 2 2 324.428 3.759 20 0 DHADLP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CCC2 ZINC000152255342 1033512428 /nfs/dbraw/zinc/51/24/28/1033512428.db2.gz DVADMEKACGNOOG-HNNXBMFYSA-N 2 2 324.453 3.804 20 0 DHADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000152303168 1033515148 /nfs/dbraw/zinc/51/51/48/1033515148.db2.gz RLEIBVQGAHVONH-OAHLLOKOSA-N 2 2 322.412 3.936 20 0 DHADLP Cc1nc(C)c(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)s1 ZINC001206192183 1033584242 /nfs/dbraw/zinc/58/42/42/1033584242.db2.gz LRXCKKHXYIPYNX-UHFFFAOYSA-N 2 2 321.534 3.989 20 0 DHADLP Cc1nc(C)c(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)s1 ZINC001206192183 1033584254 /nfs/dbraw/zinc/58/42/54/1033584254.db2.gz LRXCKKHXYIPYNX-UHFFFAOYSA-N 2 2 321.534 3.989 20 0 DHADLP CCc1ccc(C[C@H](C)n2c[nH+]c(C)c2CSCC[NH3+])cc1 ZINC001173244165 1033617071 /nfs/dbraw/zinc/61/70/71/1033617071.db2.gz NIYPFJFEEYVFPA-AWEZNQCLSA-N 2 2 317.502 3.750 20 0 DHADLP CCc1ccc(C[C@@H](C)n2c[nH+]c(C)c2CSCC[NH3+])cc1 ZINC001173244166 1033617318 /nfs/dbraw/zinc/61/73/18/1033617318.db2.gz NIYPFJFEEYVFPA-CQSZACIVSA-N 2 2 317.502 3.750 20 0 DHADLP CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC001173271500 1033640046 /nfs/dbraw/zinc/64/00/46/1033640046.db2.gz GTXLVTDSBLSADN-QFBILLFUSA-N 2 2 316.489 3.828 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2ccc(Cl)cc2n1 ZINC000878319263 1033657208 /nfs/dbraw/zinc/65/72/08/1033657208.db2.gz NKMJCPREFOAVIV-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2ccc(Cl)cc2n1 ZINC000878319263 1033657216 /nfs/dbraw/zinc/65/72/16/1033657216.db2.gz NKMJCPREFOAVIV-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP CCSC[C@H](C)[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001173309108 1033662679 /nfs/dbraw/zinc/66/26/79/1033662679.db2.gz QFPJEMIZDAXWPG-HNNXBMFYSA-N 2 2 324.509 3.864 20 0 DHADLP CCSC[C@H](C)[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001173309108 1033662680 /nfs/dbraw/zinc/66/26/80/1033662680.db2.gz QFPJEMIZDAXWPG-HNNXBMFYSA-N 2 2 324.509 3.864 20 0 DHADLP c1c2ccncc2sc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000667494432 1033768441 /nfs/dbraw/zinc/76/84/41/1033768441.db2.gz ACIRYDMCGGMXBN-UHFFFAOYSA-N 2 2 315.486 3.747 20 0 DHADLP C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000553760988 1033822725 /nfs/dbraw/zinc/82/27/25/1033822725.db2.gz KGOFDJGVSWFYPP-ROUUACIJSA-N 2 2 315.505 3.508 20 0 DHADLP C[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000553760988 1033822735 /nfs/dbraw/zinc/82/27/35/1033822735.db2.gz KGOFDJGVSWFYPP-ROUUACIJSA-N 2 2 315.505 3.508 20 0 DHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(-c2ccccc2)no1 ZINC000924730646 1033941334 /nfs/dbraw/zinc/94/13/34/1033941334.db2.gz GGEOUUNPJCDRNK-HNNXBMFYSA-N 2 2 310.401 3.669 20 0 DHADLP Brc1ccc2[nH+]ccc(Nc3cc[nH+]cc3)c2c1 ZINC001173882013 1033964420 /nfs/dbraw/zinc/96/44/20/1033964420.db2.gz QRIVTNGUUIXQDG-UHFFFAOYSA-N 2 2 300.159 3.558 20 0 DHADLP CCSc1ccccc1C[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000924731226 1033969338 /nfs/dbraw/zinc/96/93/38/1033969338.db2.gz INOLWCRMJAUJOD-MRXNPFEDSA-N 2 2 317.502 3.996 20 0 DHADLP FC(F)(F)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000176886392 1034117194 /nfs/dbraw/zinc/11/71/94/1034117194.db2.gz IEQAJUFWSXKXKN-AWEZNQCLSA-N 2 2 309.335 3.647 20 0 DHADLP FC(F)(F)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000176886392 1034117201 /nfs/dbraw/zinc/11/72/01/1034117201.db2.gz IEQAJUFWSXKXKN-AWEZNQCLSA-N 2 2 309.335 3.647 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000863542347 1034124390 /nfs/dbraw/zinc/12/43/90/1034124390.db2.gz QBHZXICSVFMXMT-RNCFNFMXSA-N 2 2 314.260 3.511 20 0 DHADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000554373914 1034125872 /nfs/dbraw/zinc/12/58/72/1034125872.db2.gz OAJJNEAFIQEJOP-JGGQBBKZSA-N 2 2 314.395 3.881 20 0 DHADLP CC(C)c1cc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)[nH]n1 ZINC000879920022 1034159627 /nfs/dbraw/zinc/15/96/27/1034159627.db2.gz VKNPEVIHGGZAMY-KRWDZBQOSA-N 2 2 318.509 3.589 20 0 DHADLP CC(C)c1cc([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)[nH]n1 ZINC000879920022 1034159633 /nfs/dbraw/zinc/15/96/33/1034159633.db2.gz VKNPEVIHGGZAMY-KRWDZBQOSA-N 2 2 318.509 3.589 20 0 DHADLP CC(C)c1cc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000879920022 1034159638 /nfs/dbraw/zinc/15/96/38/1034159638.db2.gz VKNPEVIHGGZAMY-KRWDZBQOSA-N 2 2 318.509 3.589 20 0 DHADLP CC(C)c1cc([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000879920022 1034159641 /nfs/dbraw/zinc/15/96/41/1034159641.db2.gz VKNPEVIHGGZAMY-KRWDZBQOSA-N 2 2 318.509 3.589 20 0 DHADLP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c(C)n1 ZINC000879952140 1034168427 /nfs/dbraw/zinc/16/84/27/1034168427.db2.gz SNSKVAFSZVAGCH-UHFFFAOYSA-N 2 2 301.478 3.539 20 0 DHADLP c1cn(Cc2cccc(-c3cccc([C@H]4CC[NH2+]C4)c3)c2)c[nH+]1 ZINC000863689734 1034176046 /nfs/dbraw/zinc/17/60/46/1034176046.db2.gz FNGAWEYGDAPKJT-FQEVSTJZSA-N 2 2 303.409 3.675 20 0 DHADLP CCOc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000177871656 1034192237 /nfs/dbraw/zinc/19/22/37/1034192237.db2.gz CGJRKDZCGGFLIX-OAQYLSRUSA-N 2 2 324.468 3.859 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480639572 1034370986 /nfs/dbraw/zinc/37/09/86/1034370986.db2.gz GKNPTGUEFQJTJO-UHFFFAOYSA-N 2 2 320.383 3.799 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000567484903 1034425483 /nfs/dbraw/zinc/42/54/83/1034425483.db2.gz GJVHXHRHTIBSTO-FIQHERPVSA-N 2 2 321.877 3.764 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000567484906 1034425932 /nfs/dbraw/zinc/42/59/32/1034425932.db2.gz GJVHXHRHTIBSTO-WISYIIOYSA-N 2 2 321.877 3.764 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cnn(-c2ccccc2)c1 ZINC000794837517 1034604398 /nfs/dbraw/zinc/60/43/98/1034604398.db2.gz SXKPNCRBTDJKDO-PPDQVPDSSA-N 2 2 324.472 3.540 20 0 DHADLP CCc1cccc(Nc2ccc(N3CC[NH+](CC)CC3)cc2)[nH+]1 ZINC001175781698 1035119864 /nfs/dbraw/zinc/11/98/64/1035119864.db2.gz KDWQFSSTZSILOX-UHFFFAOYSA-N 2 2 310.445 3.530 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccn(C)c2)CCCC1)c1ccccc1 ZINC000482757532 1035173905 /nfs/dbraw/zinc/17/39/05/1035173905.db2.gz YMYMBEDRWRILOR-QGZVFWFLSA-N 2 2 311.473 3.778 20 0 DHADLP CC(C)CCOCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194562112 1035210561 /nfs/dbraw/zinc/21/05/61/1035210561.db2.gz BMUQFHNEVJUSPP-INIZCTEOSA-N 2 2 301.434 3.586 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)n1C ZINC000668284603 1035308409 /nfs/dbraw/zinc/30/84/09/1035308409.db2.gz RDCZHGGIIWJMNQ-LBPRGKRZSA-N 2 2 303.837 3.544 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2CCc3ccc(Cl)cc3[C@@H](C)C2)n1C ZINC000668284603 1035308411 /nfs/dbraw/zinc/30/84/11/1035308411.db2.gz RDCZHGGIIWJMNQ-LBPRGKRZSA-N 2 2 303.837 3.544 20 0 DHADLP CO[C@H](CC(C)C)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176992133 1035341052 /nfs/dbraw/zinc/34/10/52/1035341052.db2.gz YACLUJJBOXXMBZ-IAGOWNOFSA-N 2 2 321.509 3.879 20 0 DHADLP CO[C@H](CC(C)C)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176992133 1035341059 /nfs/dbraw/zinc/34/10/59/1035341059.db2.gz YACLUJJBOXXMBZ-IAGOWNOFSA-N 2 2 321.509 3.879 20 0 DHADLP CS[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001177217421 1035357253 /nfs/dbraw/zinc/35/72/53/1035357253.db2.gz ULOQUGNPCHEAHK-QZTJIDSGSA-N 2 2 315.486 3.695 20 0 DHADLP CSc1ccccc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000194909436 1035357817 /nfs/dbraw/zinc/35/78/17/1035357817.db2.gz MPGGLYHEEHBVRI-CQSZACIVSA-N 2 2 301.459 3.956 20 0 DHADLP Clc1ccc(Cl)c(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001177939059 1035401794 /nfs/dbraw/zinc/40/17/94/1035401794.db2.gz VJLDPMHHAZFWIR-UHFFFAOYSA-N 2 2 310.228 3.980 20 0 DHADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1c(C)noc1C ZINC001178228406 1035418657 /nfs/dbraw/zinc/41/86/57/1035418657.db2.gz GBCUTRHUMOETCX-HNNXBMFYSA-N 2 2 316.430 3.780 20 0 DHADLP CCCCOc1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206342754 1035443784 /nfs/dbraw/zinc/44/37/84/1035443784.db2.gz BKFBGNXXJXAKKN-SFHVURJKSA-N 2 2 308.441 3.518 20 0 DHADLP CCCCOc1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206342754 1035443788 /nfs/dbraw/zinc/44/37/88/1035443788.db2.gz BKFBGNXXJXAKKN-SFHVURJKSA-N 2 2 308.441 3.518 20 0 DHADLP Cc1cc2c(cc1-c1cccc(Cn3cc[nH+]c3)c1)C[NH2+]CC2 ZINC000904754850 1035447855 /nfs/dbraw/zinc/44/78/55/1035447855.db2.gz YJRLXQVIOIDZKM-UHFFFAOYSA-N 2 2 303.409 3.553 20 0 DHADLP COc1cc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)ccc1C ZINC001178775120 1035449751 /nfs/dbraw/zinc/44/97/51/1035449751.db2.gz PURDDLLIBVIIEL-SFHVURJKSA-N 2 2 304.478 3.604 20 0 DHADLP FC(F)(F)c1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001179315277 1035474430 /nfs/dbraw/zinc/47/44/30/1035474430.db2.gz KQRNDCHJDIIOFN-OAHLLOKOSA-N 2 2 312.379 3.812 20 0 DHADLP FC(F)(F)c1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001179315277 1035474433 /nfs/dbraw/zinc/47/44/33/1035474433.db2.gz KQRNDCHJDIIOFN-OAHLLOKOSA-N 2 2 312.379 3.812 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnc2ccsc2c1 ZINC000223581406 1035628018 /nfs/dbraw/zinc/62/80/18/1035628018.db2.gz RVINWVZKMNIPLH-BJJXKVORSA-N 2 2 301.459 3.574 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cnc2ccsc2c1 ZINC000223581406 1035628030 /nfs/dbraw/zinc/62/80/30/1035628030.db2.gz RVINWVZKMNIPLH-BJJXKVORSA-N 2 2 301.459 3.574 20 0 DHADLP CSCc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001180540943 1035714124 /nfs/dbraw/zinc/71/41/24/1035714124.db2.gz XGIMNYPMLQBTDJ-UHFFFAOYSA-N 2 2 318.530 4.000 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCOC2CCCCC2)CC1 ZINC001193871224 1035760851 /nfs/dbraw/zinc/76/08/51/1035760851.db2.gz ICZYVMYBWFQAIZ-UHFFFAOYSA-N 2 2 318.461 3.583 20 0 DHADLP C[NH+](C)CCC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000192694353 1035810524 /nfs/dbraw/zinc/81/05/24/1035810524.db2.gz YEPZUOKLZWHLJX-UHFFFAOYSA-N 2 2 304.384 3.596 20 0 DHADLP Cc1coc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001181699057 1035974517 /nfs/dbraw/zinc/97/45/17/1035974517.db2.gz YGFSVAABTUJIQL-FQEVSTJZSA-N 2 2 310.441 3.686 20 0 DHADLP Cc1coc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001181699057 1035974529 /nfs/dbraw/zinc/97/45/29/1035974529.db2.gz YGFSVAABTUJIQL-FQEVSTJZSA-N 2 2 310.441 3.686 20 0 DHADLP Cc1coc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001181699057 1035974542 /nfs/dbraw/zinc/97/45/42/1035974542.db2.gz YGFSVAABTUJIQL-FQEVSTJZSA-N 2 2 310.441 3.686 20 0 DHADLP Cc1coc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001181699057 1035974557 /nfs/dbraw/zinc/97/45/57/1035974557.db2.gz YGFSVAABTUJIQL-FQEVSTJZSA-N 2 2 310.441 3.686 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906588108 1036011697 /nfs/dbraw/zinc/01/16/97/1036011697.db2.gz FGHHDYIYTGKXIX-MSOLQXFVSA-N 2 2 302.437 3.632 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000494935571 1036135669 /nfs/dbraw/zinc/13/56/69/1036135669.db2.gz HSYHAVURSAJLTI-HIFRSBDPSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000494935571 1036135674 /nfs/dbraw/zinc/13/56/74/1036135674.db2.gz HSYHAVURSAJLTI-HIFRSBDPSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000494935571 1036135683 /nfs/dbraw/zinc/13/56/83/1036135683.db2.gz HSYHAVURSAJLTI-HIFRSBDPSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000494935571 1036135688 /nfs/dbraw/zinc/13/56/88/1036135688.db2.gz HSYHAVURSAJLTI-HIFRSBDPSA-N 2 2 310.869 3.653 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+]C3(c4ccccc4)CC3)CC2)cc1 ZINC000540723670 1036141233 /nfs/dbraw/zinc/14/12/33/1036141233.db2.gz NMZZGMYANHTZGX-UHFFFAOYSA-N 2 2 306.453 3.930 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccco3)s2)C[C@@H]1C ZINC000494949911 1036148440 /nfs/dbraw/zinc/14/84/40/1036148440.db2.gz DXVMEUJXBKTKAQ-KBPBESRZSA-N 2 2 319.474 3.708 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccco3)s2)C[C@@H]1C ZINC000494949911 1036148449 /nfs/dbraw/zinc/14/84/49/1036148449.db2.gz DXVMEUJXBKTKAQ-KBPBESRZSA-N 2 2 319.474 3.708 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)C[C@@H]1C ZINC000494949911 1036148457 /nfs/dbraw/zinc/14/84/57/1036148457.db2.gz DXVMEUJXBKTKAQ-KBPBESRZSA-N 2 2 319.474 3.708 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)C[C@@H]1C ZINC000494949911 1036148465 /nfs/dbraw/zinc/14/84/65/1036148465.db2.gz DXVMEUJXBKTKAQ-KBPBESRZSA-N 2 2 319.474 3.708 20 0 DHADLP C[N@H+](C/C=C/c1ccncc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000494963066 1036148982 /nfs/dbraw/zinc/14/89/82/1036148982.db2.gz XCCQSARJFCHAKJ-VMPITWQZSA-N 2 2 321.468 3.691 20 0 DHADLP C[N@@H+](C/C=C/c1ccncc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000494963066 1036148985 /nfs/dbraw/zinc/14/89/85/1036148985.db2.gz XCCQSARJFCHAKJ-VMPITWQZSA-N 2 2 321.468 3.691 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CCSCc1ccccc1 ZINC001182872618 1036469669 /nfs/dbraw/zinc/46/96/69/1036469669.db2.gz GQZCBFUZHXEONC-QGZVFWFLSA-N 2 2 306.519 3.630 20 0 DHADLP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000486941885 1036469562 /nfs/dbraw/zinc/46/95/62/1036469562.db2.gz SSZGTMPHFMSKQL-UHFFFAOYSA-N 2 2 310.869 3.701 20 0 DHADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001205266202 1036576625 /nfs/dbraw/zinc/57/66/25/1036576625.db2.gz SKVMDOUTHCERTC-AWEZNQCLSA-N 2 2 304.331 3.548 20 0 DHADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001205266202 1036576632 /nfs/dbraw/zinc/57/66/32/1036576632.db2.gz SKVMDOUTHCERTC-AWEZNQCLSA-N 2 2 304.331 3.548 20 0 DHADLP CCC1([NH+]2CCCC2)CC[NH+](CCc2ccccc2F)CC1 ZINC001196727343 1036596866 /nfs/dbraw/zinc/59/68/66/1036596866.db2.gz CAYWWLLXURUVTI-UHFFFAOYSA-N 2 2 304.453 3.709 20 0 DHADLP Clc1csc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000487278757 1036634536 /nfs/dbraw/zinc/63/45/36/1036634536.db2.gz MNDNXWXDDDHISA-UHFFFAOYSA-N 2 2 303.818 3.877 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C/C=C\c1ccncc1)C1CC1 ZINC000487574313 1036685036 /nfs/dbraw/zinc/68/50/36/1036685036.db2.gz RTNXLFUBLVTJGN-HUCIYCNJSA-N 2 2 321.468 3.595 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C/C=C\c1ccncc1)C1CC1 ZINC000487574313 1036685045 /nfs/dbraw/zinc/68/50/45/1036685045.db2.gz RTNXLFUBLVTJGN-HUCIYCNJSA-N 2 2 321.468 3.595 20 0 DHADLP C[C@H](c1ccccn1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197589309 1036814711 /nfs/dbraw/zinc/81/47/11/1036814711.db2.gz JYAAIEAXDNMKHP-QFUCXCTJSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1ccccn1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197589309 1036814731 /nfs/dbraw/zinc/81/47/31/1036814731.db2.gz JYAAIEAXDNMKHP-QFUCXCTJSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1ccccn1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197589309 1036814753 /nfs/dbraw/zinc/81/47/53/1036814753.db2.gz JYAAIEAXDNMKHP-QFUCXCTJSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1ccccn1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197589309 1036814778 /nfs/dbraw/zinc/81/47/78/1036814778.db2.gz JYAAIEAXDNMKHP-QFUCXCTJSA-N 2 2 321.468 3.597 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC001184373920 1036827523 /nfs/dbraw/zinc/82/75/23/1036827523.db2.gz GAXIQLRSHNTIRJ-CABCVRRESA-N 2 2 307.507 3.571 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC001184373920 1036827541 /nfs/dbraw/zinc/82/75/41/1036827541.db2.gz GAXIQLRSHNTIRJ-CABCVRRESA-N 2 2 307.507 3.571 20 0 DHADLP CCc1cc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)nc(C)[nH+]1 ZINC001184563348 1036882761 /nfs/dbraw/zinc/88/27/61/1036882761.db2.gz HBTCJSDECRCQBS-INIZCTEOSA-N 2 2 318.852 3.716 20 0 DHADLP c1ccc(N2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)[nH+]c1 ZINC000236586320 1036967946 /nfs/dbraw/zinc/96/79/46/1036967946.db2.gz UUCTVXZPLDOPDJ-LJQANCHMSA-N 2 2 307.441 3.718 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000237367964 1037007146 /nfs/dbraw/zinc/00/71/46/1037007146.db2.gz LEYGTPDONPDJFO-PBHICJAKSA-N 2 2 311.429 3.557 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000237652584 1037021434 /nfs/dbraw/zinc/02/14/34/1037021434.db2.gz WWCCJXIURWFMOK-UHFFFAOYSA-N 2 2 316.420 3.970 20 0 DHADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001205325635 1037075260 /nfs/dbraw/zinc/07/52/60/1037075260.db2.gz QFTMHJGROPNOCA-CYBMUJFWSA-N 2 2 304.821 3.784 20 0 DHADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(-c2cccc(Cl)c2)o1 ZINC001205325635 1037075278 /nfs/dbraw/zinc/07/52/78/1037075278.db2.gz QFTMHJGROPNOCA-CYBMUJFWSA-N 2 2 304.821 3.784 20 0 DHADLP CCC(C)(C)OCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000308538094 1037089103 /nfs/dbraw/zinc/08/91/03/1037089103.db2.gz HFUOLBBKHROLJN-OAHLLOKOSA-N 2 2 301.434 3.728 20 0 DHADLP CCc1cc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)nc(CC)[nH+]1 ZINC001185386682 1037122412 /nfs/dbraw/zinc/12/24/12/1037122412.db2.gz DHEIPUJCUSNGEU-OAHLLOKOSA-N 2 2 312.461 3.534 20 0 DHADLP CCc1cc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc(CC)[nH+]1 ZINC001185386682 1037122422 /nfs/dbraw/zinc/12/24/22/1037122422.db2.gz DHEIPUJCUSNGEU-OAHLLOKOSA-N 2 2 312.461 3.534 20 0 DHADLP COCCCCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790917 1037122816 /nfs/dbraw/zinc/12/28/16/1037122816.db2.gz PWFNXSOPZIDELN-INIZCTEOSA-N 2 2 307.482 3.634 20 0 DHADLP COCCCCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790917 1037122825 /nfs/dbraw/zinc/12/28/25/1037122825.db2.gz PWFNXSOPZIDELN-INIZCTEOSA-N 2 2 307.482 3.634 20 0 DHADLP CCC[C@H](C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001198900999 1037156167 /nfs/dbraw/zinc/15/61/67/1037156167.db2.gz NGOUCPGPCGCMQL-UXHICEINSA-N 2 2 318.505 3.517 20 0 DHADLP CCC[C@H](C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001198900999 1037156177 /nfs/dbraw/zinc/15/61/77/1037156177.db2.gz NGOUCPGPCGCMQL-UXHICEINSA-N 2 2 318.505 3.517 20 0 DHADLP CNc1ccc(C)cc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001199178739 1037211673 /nfs/dbraw/zinc/21/16/73/1037211673.db2.gz FZWZAWDOSBLZMZ-UHFFFAOYSA-N 2 2 320.440 3.571 20 0 DHADLP C[C@@H](Nc1[nH]c2ccccc2[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310532972 1037240244 /nfs/dbraw/zinc/24/02/44/1037240244.db2.gz QJPCWOGVMDLXMQ-WBVHZDCISA-N 2 2 320.440 3.885 20 0 DHADLP C[C@@H](Nc1[nH]c2ccccc2[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310532972 1037240259 /nfs/dbraw/zinc/24/02/59/1037240259.db2.gz QJPCWOGVMDLXMQ-WBVHZDCISA-N 2 2 320.440 3.885 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C[NH3+] ZINC000397326356 1037285168 /nfs/dbraw/zinc/28/51/68/1037285168.db2.gz OXGUJSDKLQSBHJ-YRGRVCCFSA-N 2 2 321.515 3.677 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C[NH3+] ZINC000397326356 1037285181 /nfs/dbraw/zinc/28/51/81/1037285181.db2.gz OXGUJSDKLQSBHJ-YRGRVCCFSA-N 2 2 321.515 3.677 20 0 DHADLP COCCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000178455349 1037318640 /nfs/dbraw/zinc/31/86/40/1037318640.db2.gz ZZOKAOMTQHNCPJ-QUCCMNQESA-N 2 2 318.505 3.864 20 0 DHADLP CCc1cc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001186315823 1037366474 /nfs/dbraw/zinc/36/64/74/1037366474.db2.gz KENCCZLJKQBQCR-LIRRHRJNSA-N 2 2 312.461 3.705 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H]2CCC=CO2)c(C)c1 ZINC000775031076 1037439970 /nfs/dbraw/zinc/43/99/70/1037439970.db2.gz AOTJKGGBCQERCY-HKUYNNGSSA-N 2 2 311.429 3.524 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000776124134 1037467247 /nfs/dbraw/zinc/46/72/47/1037467247.db2.gz YZEXYQAEGXZFJS-NHYWBVRUSA-N 2 2 313.272 3.751 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C[N@H+]1C1CC1 ZINC000776124134 1037467253 /nfs/dbraw/zinc/46/72/53/1037467253.db2.gz YZEXYQAEGXZFJS-NHYWBVRUSA-N 2 2 313.272 3.751 20 0 DHADLP C[C@@]1(C[NH2+]Cc2cccc(O)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000397931971 1037559877 /nfs/dbraw/zinc/55/98/77/1037559877.db2.gz VGKONOUXBJQVKY-FQEVSTJZSA-N 2 2 310.441 3.537 20 0 DHADLP C[C@@]1(C[NH2+]Cc2cccc(O)c2)CCC[N@H+]1Cc1ccccc1 ZINC000397931971 1037559886 /nfs/dbraw/zinc/55/98/86/1037559886.db2.gz VGKONOUXBJQVKY-FQEVSTJZSA-N 2 2 310.441 3.537 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000398052568 1037586490 /nfs/dbraw/zinc/58/64/90/1037586490.db2.gz YICNTWWSKHPGEV-DYESRHJHSA-N 2 2 323.484 3.644 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000398052568 1037586498 /nfs/dbraw/zinc/58/64/98/1037586498.db2.gz YICNTWWSKHPGEV-DYESRHJHSA-N 2 2 323.484 3.644 20 0 DHADLP CCCC[C@H](CC)C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201560331 1037775964 /nfs/dbraw/zinc/77/59/64/1037775964.db2.gz RWPIRALXLONTNE-YSIASYRMSA-N 2 2 315.505 3.662 20 0 DHADLP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201560331 1037775980 /nfs/dbraw/zinc/77/59/80/1037775980.db2.gz RWPIRALXLONTNE-YSIASYRMSA-N 2 2 315.505 3.662 20 0 DHADLP CCCC[C@H](CC)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201560331 1037775996 /nfs/dbraw/zinc/77/59/96/1037775996.db2.gz RWPIRALXLONTNE-YSIASYRMSA-N 2 2 315.505 3.662 20 0 DHADLP CCCC[C@H](CC)C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201560331 1037776007 /nfs/dbraw/zinc/77/60/07/1037776007.db2.gz RWPIRALXLONTNE-YSIASYRMSA-N 2 2 315.505 3.662 20 0 DHADLP COc1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c(Cl)c1 ZINC001201962376 1037952973 /nfs/dbraw/zinc/95/29/73/1037952973.db2.gz AHUUCJYIYIIDPV-AWEZNQCLSA-N 2 2 310.869 3.703 20 0 DHADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494411860 1038090254 /nfs/dbraw/zinc/09/02/54/1038090254.db2.gz OZKWJIMWYSLHLG-QSOAKEGCSA-N 2 2 301.821 3.544 20 0 DHADLP CCc1ccc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)o2)cc1 ZINC000494433160 1038097536 /nfs/dbraw/zinc/09/75/36/1038097536.db2.gz VSDKJHGHVUDCJS-QGZVFWFLSA-N 2 2 321.424 3.810 20 0 DHADLP CC(C)COc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127721507 1038209492 /nfs/dbraw/zinc/20/94/92/1038209492.db2.gz OGFWCQIDWODCKN-UHFFFAOYSA-N 2 2 316.489 3.782 20 0 DHADLP CC[C@@H](C[NH2+][C@@H]1CCCc2c(OC)cccc21)[NH+]1CCCC1 ZINC000571965451 1038284212 /nfs/dbraw/zinc/28/42/12/1038284212.db2.gz PXKRIPWFTWGCCT-MAUKXSAKSA-N 2 2 302.462 3.537 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(-c3ccccc3)c1)C2 ZINC000572804745 1038503348 /nfs/dbraw/zinc/50/33/48/1038503348.db2.gz VTQFUERUNVVJMP-SFHVURJKSA-N 2 2 303.409 3.724 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccncc2)cc1 ZINC000573256062 1038894439 /nfs/dbraw/zinc/89/44/39/1038894439.db2.gz XNPGDNUSYPEKOV-KDOFPFPSSA-N 2 2 318.424 3.680 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393195 1038930150 /nfs/dbraw/zinc/93/01/50/1038930150.db2.gz UNSXVEQEYPBFSR-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393195 1038930171 /nfs/dbraw/zinc/93/01/71/1038930171.db2.gz UNSXVEQEYPBFSR-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393195 1038930189 /nfs/dbraw/zinc/93/01/89/1038930189.db2.gz UNSXVEQEYPBFSR-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000573393195 1038930206 /nfs/dbraw/zinc/93/02/06/1038930206.db2.gz UNSXVEQEYPBFSR-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP COc1cccc2c(N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000573738736 1039069296 /nfs/dbraw/zinc/06/92/96/1039069296.db2.gz UXXLZLQRGRAIAH-ZIAGYGMSSA-N 2 2 311.429 3.589 20 0 DHADLP COc1cccc2c(N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000573738736 1039069308 /nfs/dbraw/zinc/06/93/08/1039069308.db2.gz UXXLZLQRGRAIAH-ZIAGYGMSSA-N 2 2 311.429 3.589 20 0 DHADLP CSCCCCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000230149139 1039723481 /nfs/dbraw/zinc/72/34/81/1039723481.db2.gz MFIWZIDUDSLKOQ-UHFFFAOYSA-N 2 2 303.475 3.885 20 0 DHADLP C[C@H](CSCCF)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000595009344 1040019149 /nfs/dbraw/zinc/01/91/49/1040019149.db2.gz REKCSDRIUJXEOJ-HUUCEWRRSA-N 2 2 312.498 3.797 20 0 DHADLP Cc1ccsc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608074058 1040363872 /nfs/dbraw/zinc/36/38/72/1040363872.db2.gz RFLUBINZPCBFRO-MRXNPFEDSA-N 2 2 311.454 3.864 20 0 DHADLP Cc1cccn2c(C[NH2+]C[C@H]3CCO[C@@H]3c3ccccc3)c[nH+]c12 ZINC000328630252 231265000 /nfs/dbraw/zinc/26/50/00/231265000.db2.gz PQZIZFMWPQEFPU-IEBWSBKVSA-N 2 2 321.424 3.510 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCOC(C)C)CC1 ZINC000093300682 193226844 /nfs/dbraw/zinc/22/68/44/193226844.db2.gz AEQRWSHELVDFTQ-UHFFFAOYSA-N 2 2 315.461 3.661 20 0 DHADLP Clc1cc2c(cc1Cl)C[C@@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000019365784 182118738 /nfs/dbraw/zinc/11/87/38/182118738.db2.gz RDBFPNFDFWHEGO-AWEZNQCLSA-N 2 2 313.272 3.536 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000019959907 182170130 /nfs/dbraw/zinc/17/01/30/182170130.db2.gz XRLDKPLOLFVSPW-WFASDCNBSA-N 2 2 311.267 3.584 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000019959907 182170131 /nfs/dbraw/zinc/17/01/31/182170131.db2.gz XRLDKPLOLFVSPW-WFASDCNBSA-N 2 2 311.267 3.584 20 0 DHADLP Cc1ccsc1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000020008968 182176730 /nfs/dbraw/zinc/17/67/30/182176730.db2.gz VKZZVIFOYVJSHL-KRWDZBQOSA-N 2 2 300.471 3.983 20 0 DHADLP Cc1ncsc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272840100 130068998 /nfs/dbraw/zinc/06/89/98/130068998.db2.gz MUYDNCLHOJBWLN-CYBMUJFWSA-N 2 2 312.442 3.531 20 0 DHADLP Cc1cnc([C@H](C)[NH2+]CCC[NH2+][C@@H](C)c2ncc(C)s2)s1 ZINC000273249554 130100591 /nfs/dbraw/zinc/10/05/91/130100591.db2.gz BYIGHJBUYLJVHC-STQMWFEESA-N 2 2 324.519 3.608 20 0 DHADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000273336859 130108331 /nfs/dbraw/zinc/10/83/31/130108331.db2.gz VIPIFJMBVJWEIR-ZBFHGGJFSA-N 2 2 315.486 3.945 20 0 DHADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000273336859 130108334 /nfs/dbraw/zinc/10/83/34/130108334.db2.gz VIPIFJMBVJWEIR-ZBFHGGJFSA-N 2 2 315.486 3.945 20 0 DHADLP Cc1cc(NCc2[nH+]ccn2CCCc2ccccc2)cc[nH+]1 ZINC000274317558 130225747 /nfs/dbraw/zinc/22/57/47/130225747.db2.gz CHBATIOMSZJOPG-UHFFFAOYSA-N 2 2 306.413 3.831 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCn1cc[nH+]c1 ZINC000280274794 130794020 /nfs/dbraw/zinc/79/40/20/130794020.db2.gz LDKMNFAHBNWMJI-ZDUSSCGKSA-N 2 2 311.351 3.513 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1ccncc1F ZINC000340176852 131001999 /nfs/dbraw/zinc/00/19/99/131001999.db2.gz DICJCZBIDWOIBM-ZDUSSCGKSA-N 2 2 312.392 3.620 20 0 DHADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cc(C)on2)cc1 ZINC000283871072 131030802 /nfs/dbraw/zinc/03/08/02/131030802.db2.gz BWRWTSNHKSSRRT-OAHLLOKOSA-N 2 2 301.434 3.676 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc(C)ccn2)cc1F ZINC000286186070 131224068 /nfs/dbraw/zinc/22/40/68/131224068.db2.gz QZLLJUWUOYNNPP-CQSZACIVSA-N 2 2 324.403 3.874 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000286270206 131227018 /nfs/dbraw/zinc/22/70/18/131227018.db2.gz VIBNQDRINIGFHK-HZPDHXFCSA-N 2 2 306.413 3.988 20 0 DHADLP CCc1nc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000340236950 131244567 /nfs/dbraw/zinc/24/45/67/131244567.db2.gz LEXNQSQVIGPVRS-NVXWUHKLSA-N 2 2 315.486 3.631 20 0 DHADLP CCc1nc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cs1 ZINC000340236950 131244570 /nfs/dbraw/zinc/24/45/70/131244570.db2.gz LEXNQSQVIGPVRS-NVXWUHKLSA-N 2 2 315.486 3.631 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000289208125 131366294 /nfs/dbraw/zinc/36/62/94/131366294.db2.gz IHGKNRRAIZXORK-MSOLQXFVSA-N 2 2 314.429 3.504 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000289208125 131366295 /nfs/dbraw/zinc/36/62/95/131366295.db2.gz IHGKNRRAIZXORK-MSOLQXFVSA-N 2 2 314.429 3.504 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000289359446 131378146 /nfs/dbraw/zinc/37/81/46/131378146.db2.gz KDNVPGSSVBNVPR-CABCVRRESA-N 2 2 313.272 3.838 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000289359446 131378148 /nfs/dbraw/zinc/37/81/48/131378148.db2.gz KDNVPGSSVBNVPR-CABCVRRESA-N 2 2 313.272 3.838 20 0 DHADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCc1c[nH+]cn1C ZINC000289458498 131388308 /nfs/dbraw/zinc/38/83/08/131388308.db2.gz XZOVESBNMWCDRP-LLVKDONJSA-N 2 2 312.244 3.962 20 0 DHADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCc1c[nH+]cn1C ZINC000289458498 131388310 /nfs/dbraw/zinc/38/83/10/131388310.db2.gz XZOVESBNMWCDRP-LLVKDONJSA-N 2 2 312.244 3.962 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+]CCCn3cc[nH+]c3)ccc2c1 ZINC000120493322 132144625 /nfs/dbraw/zinc/14/46/25/132144625.db2.gz XLLAROPNXRNQQQ-HNNXBMFYSA-N 2 2 309.413 3.786 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccsc1C(F)(F)F ZINC000529569292 335246745 /nfs/dbraw/zinc/24/67/45/335246745.db2.gz NSPFTQSAXXAXDN-CMPLNLGQSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccsc1C(F)(F)F ZINC000529569292 335246747 /nfs/dbraw/zinc/24/67/47/335246747.db2.gz NSPFTQSAXXAXDN-CMPLNLGQSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccsc1C(F)(F)F ZINC000529569292 335246749 /nfs/dbraw/zinc/24/67/49/335246749.db2.gz NSPFTQSAXXAXDN-CMPLNLGQSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccsc1C(F)(F)F ZINC000529569292 335246751 /nfs/dbraw/zinc/24/67/51/335246751.db2.gz NSPFTQSAXXAXDN-CMPLNLGQSA-N 2 2 306.397 3.539 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc(C)c1O ZINC000391745961 335088044 /nfs/dbraw/zinc/08/80/44/335088044.db2.gz VPZLFBNQHNZKIC-FQEVSTJZSA-N 2 2 324.468 3.936 20 0 DHADLP CC[C@@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000530529662 331572789 /nfs/dbraw/zinc/57/27/89/331572789.db2.gz BZPABJIHKPBBQX-KKOFPSKJSA-N 2 2 318.427 3.960 20 0 DHADLP C[C@H](C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)C[NH+]1CCCCC1 ZINC000556857767 331742345 /nfs/dbraw/zinc/74/23/45/331742345.db2.gz GMGRUTTVIIAWLR-SJLPKXTDSA-N 2 2 318.509 3.743 20 0 DHADLP C[C@H](C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1)C[NH+]1CCCCC1 ZINC000556857762 331742405 /nfs/dbraw/zinc/74/24/05/331742405.db2.gz GMGRUTTVIIAWLR-AEFFLSMTSA-N 2 2 318.509 3.743 20 0 DHADLP Clc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000556934998 331756039 /nfs/dbraw/zinc/75/60/39/331756039.db2.gz IXIKUVFBYYSSQM-GFCCVEGCSA-N 2 2 321.877 3.553 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC([NH2+]C)CC1 ZINC000261563061 331844862 /nfs/dbraw/zinc/84/48/62/331844862.db2.gz GULINAGWHXIGLE-OAHLLOKOSA-N 2 2 311.267 3.584 20 0 DHADLP Fc1cc(C2CC2)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000559136041 331981091 /nfs/dbraw/zinc/98/10/91/331981091.db2.gz BGEOFLMYNYMRFO-UHFFFAOYSA-N 2 2 302.437 3.667 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224114194 332113849 /nfs/dbraw/zinc/11/38/49/332113849.db2.gz VHEDDCQCOSILBX-SGMGOOAPSA-N 2 2 309.523 3.882 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224114194 332113851 /nfs/dbraw/zinc/11/38/51/332113851.db2.gz VHEDDCQCOSILBX-SGMGOOAPSA-N 2 2 309.523 3.882 20 0 DHADLP Fc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1-c1cccs1 ZINC000041066189 332210742 /nfs/dbraw/zinc/21/07/42/332210742.db2.gz DLJINZZKHUGGIX-UHFFFAOYSA-N 2 2 301.390 3.541 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](CC(C)C)c1ccccn1)CCC2 ZINC000363755814 332240500 /nfs/dbraw/zinc/24/05/00/332240500.db2.gz FXLYGKRMTMOBOY-FUHWJXTLSA-N 2 2 312.461 3.841 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)CCC2 ZINC000363756932 332240955 /nfs/dbraw/zinc/24/09/55/332240955.db2.gz IRNHNWOKZUSTCZ-RBUKOAKNSA-N 2 2 309.457 3.680 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000536499163 332253194 /nfs/dbraw/zinc/25/31/94/332253194.db2.gz VWNLMZXRZGNUHW-KURKYZTESA-N 2 2 304.865 3.934 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000536499163 332253195 /nfs/dbraw/zinc/25/31/95/332253195.db2.gz VWNLMZXRZGNUHW-KURKYZTESA-N 2 2 304.865 3.934 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2F)C[C@@H]1c1ccccc1 ZINC000559751713 332279012 /nfs/dbraw/zinc/27/90/12/332279012.db2.gz KTNHXLLRLRJMFD-PKOBYXMFSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2F)C[C@@H]1c1ccccc1 ZINC000559751713 332279013 /nfs/dbraw/zinc/27/90/13/332279013.db2.gz KTNHXLLRLRJMFD-PKOBYXMFSA-N 2 2 316.395 3.890 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC1(C)C ZINC000559913217 332292427 /nfs/dbraw/zinc/29/24/27/332292427.db2.gz GYYGECZFOXMNSE-AOIWGVFYSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC1(C)C ZINC000559913217 332292428 /nfs/dbraw/zinc/29/24/28/332292428.db2.gz GYYGECZFOXMNSE-AOIWGVFYSA-N 2 2 315.505 3.708 20 0 DHADLP COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000262327270 335099691 /nfs/dbraw/zinc/09/96/91/335099691.db2.gz RYESDCRHDIBGOP-MZPVMMEZSA-N 2 2 300.377 3.630 20 0 DHADLP CC(C)[N@H+](C)CC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000577986217 332321086 /nfs/dbraw/zinc/32/10/86/332321086.db2.gz XHAFMRIJAKDRKI-ZDUSSCGKSA-N 2 2 302.384 3.739 20 0 DHADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000577986217 332321087 /nfs/dbraw/zinc/32/10/87/332321087.db2.gz XHAFMRIJAKDRKI-ZDUSSCGKSA-N 2 2 302.384 3.739 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000560264994 332326245 /nfs/dbraw/zinc/32/62/45/332326245.db2.gz LNQXCEKLYCFOAZ-MGPUTAFESA-N 2 2 314.473 3.580 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000560264994 332326247 /nfs/dbraw/zinc/32/62/47/332326247.db2.gz LNQXCEKLYCFOAZ-MGPUTAFESA-N 2 2 314.473 3.580 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)c2c(F)cccc2Cl)n1C ZINC000578453824 332385367 /nfs/dbraw/zinc/38/53/67/332385367.db2.gz HCESQJASPDMPHB-UHFFFAOYSA-N 2 2 309.816 3.588 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccncc2C)c(C)c1 ZINC000564409135 332390116 /nfs/dbraw/zinc/39/01/16/332390116.db2.gz NOANCKROIORSKL-HXUWFJFHSA-N 2 2 320.440 3.734 20 0 DHADLP C[NH+](C)CC[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000562058538 332540080 /nfs/dbraw/zinc/54/00/80/332540080.db2.gz GOUWXKKZDMOSJL-UHFFFAOYSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178111121 333001809 /nfs/dbraw/zinc/00/18/09/333001809.db2.gz DOXBBWYQNIRKHM-MAUKXSAKSA-N 2 2 319.408 3.527 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000188141506 333037771 /nfs/dbraw/zinc/03/77/71/333037771.db2.gz CTVQXDFGPLZFFD-IUODEOHRSA-N 2 2 312.379 3.635 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000188141506 333037772 /nfs/dbraw/zinc/03/77/72/333037772.db2.gz CTVQXDFGPLZFFD-IUODEOHRSA-N 2 2 312.379 3.635 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000314004559 333081677 /nfs/dbraw/zinc/08/16/77/333081677.db2.gz DZQKHSVZKIHBSV-GOSISDBHSA-N 2 2 304.478 3.685 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000314004559 333081678 /nfs/dbraw/zinc/08/16/78/333081678.db2.gz DZQKHSVZKIHBSV-GOSISDBHSA-N 2 2 304.478 3.685 20 0 DHADLP Clc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000309732014 333192377 /nfs/dbraw/zinc/19/23/77/333192377.db2.gz PMLWKBWCKPXIMZ-OAHLLOKOSA-N 2 2 304.821 3.545 20 0 DHADLP Clc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000309732014 333192379 /nfs/dbraw/zinc/19/23/79/333192379.db2.gz PMLWKBWCKPXIMZ-OAHLLOKOSA-N 2 2 304.821 3.545 20 0 DHADLP Clc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000309732002 333192426 /nfs/dbraw/zinc/19/24/26/333192426.db2.gz PMLWKBWCKPXIMZ-HNNXBMFYSA-N 2 2 304.821 3.545 20 0 DHADLP Clc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000309732002 333192427 /nfs/dbraw/zinc/19/24/27/333192427.db2.gz PMLWKBWCKPXIMZ-HNNXBMFYSA-N 2 2 304.821 3.545 20 0 DHADLP C[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120116747 333275685 /nfs/dbraw/zinc/27/56/85/333275685.db2.gz JIAZNPHOUJCUHF-HNNXBMFYSA-N 2 2 309.388 3.905 20 0 DHADLP Cc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390551568 333298854 /nfs/dbraw/zinc/29/88/54/333298854.db2.gz CRFDZJBNGUZZGZ-IBGZPJMESA-N 2 2 312.432 3.888 20 0 DHADLP Cc1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390551568 333298855 /nfs/dbraw/zinc/29/88/55/333298855.db2.gz CRFDZJBNGUZZGZ-IBGZPJMESA-N 2 2 312.432 3.888 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000390564376 333300609 /nfs/dbraw/zinc/30/06/09/333300609.db2.gz NHNJBKWKQLPRIF-HYVNUMGLSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000390564376 333300610 /nfs/dbraw/zinc/30/06/10/333300610.db2.gz NHNJBKWKQLPRIF-HYVNUMGLSA-N 2 2 308.416 3.674 20 0 DHADLP CCOc1cccc(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000390589939 333304613 /nfs/dbraw/zinc/30/46/13/333304613.db2.gz QGLMUSQFNNFRCX-KRWDZBQOSA-N 2 2 312.457 3.695 20 0 DHADLP CCOc1cccc(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000390589939 333304614 /nfs/dbraw/zinc/30/46/14/333304614.db2.gz QGLMUSQFNNFRCX-KRWDZBQOSA-N 2 2 312.457 3.695 20 0 DHADLP CC[NH+](CC)Cc1ccccc1CNc1cc[nH+]c(C2CC2)n1 ZINC000110123751 333327622 /nfs/dbraw/zinc/32/76/22/333327622.db2.gz PTWIHIIHNBMJMY-UHFFFAOYSA-N 2 2 310.445 3.808 20 0 DHADLP CC[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCCc2cccnc21 ZINC000365003470 333334201 /nfs/dbraw/zinc/33/42/01/333334201.db2.gz QRLBJCAGUDKJMA-QGZVFWFLSA-N 2 2 306.413 3.629 20 0 DHADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CCCc2cccnc21 ZINC000365003470 333334203 /nfs/dbraw/zinc/33/42/03/333334203.db2.gz QRLBJCAGUDKJMA-QGZVFWFLSA-N 2 2 306.413 3.629 20 0 DHADLP CCc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)cs1 ZINC000531430278 333351645 /nfs/dbraw/zinc/35/16/45/333351645.db2.gz XQFBDCHWYPHNCW-GDBMZVCRSA-N 2 2 309.523 3.696 20 0 DHADLP CCc1[nH+]c2ccccc2c(N(C)CCCn2cc[nH+]c2)c1C ZINC000583459253 333358484 /nfs/dbraw/zinc/35/84/84/333358484.db2.gz QDGOKNSMAFMMKP-UHFFFAOYSA-N 2 2 308.429 3.829 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000261930361 333380445 /nfs/dbraw/zinc/38/04/45/333380445.db2.gz JNHZOQSMCRXTHE-GDBMZVCRSA-N 2 2 315.486 3.678 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000261930361 333380446 /nfs/dbraw/zinc/38/04/46/333380446.db2.gz JNHZOQSMCRXTHE-GDBMZVCRSA-N 2 2 315.486 3.678 20 0 DHADLP CC(C)c1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000047973091 333557031 /nfs/dbraw/zinc/55/70/31/333557031.db2.gz QMPOSHIEOWNPDO-UHFFFAOYSA-N 2 2 307.507 3.574 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c(C)c1 ZINC000414054383 333888214 /nfs/dbraw/zinc/88/82/14/333888214.db2.gz BLAMBABKKHOACL-HNNXBMFYSA-N 2 2 309.413 3.545 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)c1 ZINC000414128489 333899404 /nfs/dbraw/zinc/89/94/04/333899404.db2.gz SGKSXFKEFIEYSJ-FQEVSTJZSA-N 2 2 323.415 3.675 20 0 DHADLP CC(C)[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)cc1F ZINC000414128773 333899540 /nfs/dbraw/zinc/89/95/40/333899540.db2.gz SSIJVIQDFCSZKI-INIZCTEOSA-N 2 2 309.816 3.742 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@H]1C[C@@H]1C ZINC000414111024 333904715 /nfs/dbraw/zinc/90/47/15/333904715.db2.gz WSWVEZIEMHFNPN-SFUIVIKGSA-N 2 2 301.478 3.631 20 0 DHADLP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1C[C@@H]1C ZINC000414159837 333914712 /nfs/dbraw/zinc/91/47/12/333914712.db2.gz YTVYIDNWCWYZMM-GVPXMIKFSA-N 2 2 318.427 3.816 20 0 DHADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1occc1C ZINC000414547828 334015221 /nfs/dbraw/zinc/01/52/21/334015221.db2.gz IMQHJVXFERNYSX-UHFFFAOYSA-N 2 2 301.415 3.857 20 0 DHADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1occc1C ZINC000414547828 334015223 /nfs/dbraw/zinc/01/52/23/334015223.db2.gz IMQHJVXFERNYSX-UHFFFAOYSA-N 2 2 301.415 3.857 20 0 DHADLP C[C@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000414658080 334059715 /nfs/dbraw/zinc/05/97/15/334059715.db2.gz LBYCVVYWTPNFML-WQVCFCJDSA-N 2 2 312.379 3.635 20 0 DHADLP C[C@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000414658080 334059717 /nfs/dbraw/zinc/05/97/17/334059717.db2.gz LBYCVVYWTPNFML-WQVCFCJDSA-N 2 2 312.379 3.635 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000343508719 335172811 /nfs/dbraw/zinc/17/28/11/335172811.db2.gz JJNOSINKASJYDE-HNAYVOBHSA-N 2 2 316.489 3.714 20 0 DHADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000414816017 334106743 /nfs/dbraw/zinc/10/67/43/334106743.db2.gz YWGXLCPUCXVGOC-XGHQBKJUSA-N 3 2 323.484 3.631 20 0 DHADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000414816017 334106745 /nfs/dbraw/zinc/10/67/45/334106745.db2.gz YWGXLCPUCXVGOC-XGHQBKJUSA-N 3 2 323.484 3.631 20 0 DHADLP [NH3+]C[C@@H]([NH2+]Cc1nc(-c2ccccc2)cs1)C1CCCCC1 ZINC000414833417 334110930 /nfs/dbraw/zinc/11/09/30/334110930.db2.gz FOBMRAITWVPZOI-MRXNPFEDSA-N 2 2 315.486 3.807 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccsc2)s1 ZINC000343608936 335177094 /nfs/dbraw/zinc/17/70/94/335177094.db2.gz VSGNTMJWBQTWES-UHFFFAOYSA-N 2 2 321.515 3.789 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(-c2ccsc2)s1 ZINC000343608936 335177097 /nfs/dbraw/zinc/17/70/97/335177097.db2.gz VSGNTMJWBQTWES-UHFFFAOYSA-N 2 2 321.515 3.789 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnn(C(C)(C)C)c2)cc1 ZINC000414850520 334123243 /nfs/dbraw/zinc/12/32/43/334123243.db2.gz SKOVOZCCPZFHIV-GOSISDBHSA-N 2 2 314.477 3.551 20 0 DHADLP Cc1ccn2c(C[NH2+]C[C@@H]([NH3+])c3ccc(C(C)C)cc3)cnc2c1 ZINC000414851734 334126037 /nfs/dbraw/zinc/12/60/37/334126037.db2.gz UUVLASXLQRSCRD-LJQANCHMSA-N 2 2 322.456 3.556 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)c2ccccc21 ZINC000288541262 334160966 /nfs/dbraw/zinc/16/09/66/334160966.db2.gz AHWSFFJQGHWYAU-KBXCAEBGSA-N 2 2 304.397 3.605 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000187752772 334271908 /nfs/dbraw/zinc/27/19/08/334271908.db2.gz FTYMIWKJMMLMFF-INIZCTEOSA-N 2 2 323.415 3.791 20 0 DHADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000414935775 334198202 /nfs/dbraw/zinc/19/82/02/334198202.db2.gz WCZUMYKQOAMJEL-LJQANCHMSA-N 2 2 309.457 3.616 20 0 DHADLP CC[C@@H]1C[C@@H](C[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000414938400 334200018 /nfs/dbraw/zinc/20/00/18/334200018.db2.gz IQLSUUVQIOFDGR-CWFSZBLJSA-N 2 2 312.457 3.634 20 0 DHADLP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000414940200 334202230 /nfs/dbraw/zinc/20/22/30/334202230.db2.gz XKDFDHNXHCERGH-SFHVURJKSA-N 2 2 324.453 3.683 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000414941361 334202421 /nfs/dbraw/zinc/20/24/21/334202421.db2.gz AKACKPITGHIXGG-YCPHGPKFSA-N 2 2 312.379 3.584 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000414948606 334206248 /nfs/dbraw/zinc/20/62/48/334206248.db2.gz MJXCPNVUJCLIJW-PBHICJAKSA-N 2 2 322.424 3.570 20 0 DHADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414957872 334210285 /nfs/dbraw/zinc/21/02/85/334210285.db2.gz RGQPGRRFYZEEFQ-RNCFNFMXSA-N 2 2 306.759 3.589 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CCO1 ZINC000443006278 338441722 /nfs/dbraw/zinc/44/17/22/338441722.db2.gz ICGYJNGSNQCPKG-SOAMZJECSA-N 2 2 318.505 3.781 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000531988512 334361999 /nfs/dbraw/zinc/36/19/99/334361999.db2.gz OLWTYOLSFNDZRF-JKSUJKDBSA-N 2 2 313.445 3.737 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000531988596 334362859 /nfs/dbraw/zinc/36/28/59/334362859.db2.gz HEKQANCQEGBHPT-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000531988596 334362861 /nfs/dbraw/zinc/36/28/61/334362861.db2.gz HEKQANCQEGBHPT-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000531988596 334362862 /nfs/dbraw/zinc/36/28/62/334362862.db2.gz HEKQANCQEGBHPT-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000531988596 334362864 /nfs/dbraw/zinc/36/28/64/334362864.db2.gz HEKQANCQEGBHPT-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000531994695 334369432 /nfs/dbraw/zinc/36/94/32/334369432.db2.gz UWLQQGAKFQXIQZ-JRGCBEDISA-N 2 2 308.469 3.553 20 0 DHADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000531994695 334369433 /nfs/dbraw/zinc/36/94/33/334369433.db2.gz UWLQQGAKFQXIQZ-JRGCBEDISA-N 2 2 308.469 3.553 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000430582121 334396447 /nfs/dbraw/zinc/39/64/47/334396447.db2.gz KEEOYLVECVJRCA-HIFRSBDPSA-N 2 2 307.507 3.750 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000430582121 334396449 /nfs/dbraw/zinc/39/64/49/334396449.db2.gz KEEOYLVECVJRCA-HIFRSBDPSA-N 2 2 307.507 3.750 20 0 DHADLP C[C@@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341598732 334460472 /nfs/dbraw/zinc/46/04/72/334460472.db2.gz UGTNDFZKPNEGQR-MJGOQNOKSA-N 2 2 315.505 3.852 20 0 DHADLP CC1CC[NH+](C2CCC(Nc3cc[nH+]c4ccncc34)CC2)CC1 ZINC000443691734 338460010 /nfs/dbraw/zinc/46/00/10/338460010.db2.gz IYSLIOFGYBXGNZ-UHFFFAOYSA-N 2 2 324.472 3.507 20 0 DHADLP C[NH+](C)C1(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000417358849 334707801 /nfs/dbraw/zinc/70/78/01/334707801.db2.gz USXWUKNFSCBYET-HNNXBMFYSA-N 2 2 312.379 3.840 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)o1 ZINC000343268414 334886163 /nfs/dbraw/zinc/88/61/63/334886163.db2.gz DQADVGVKXTXKMW-CYBMUJFWSA-N 2 2 313.376 3.769 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C[NH+]1CCCC1 ZINC000343845494 335196804 /nfs/dbraw/zinc/19/68/04/335196804.db2.gz VZOUBAMHBHHVPP-QWRGUYRKSA-N 2 2 321.412 3.544 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C1(CC)CC ZINC000344098373 335217988 /nfs/dbraw/zinc/21/79/88/335217988.db2.gz JYJQVLOPXWIHRI-YESZJQIVSA-N 2 2 319.493 3.642 20 0 DHADLP CC[C@@H]1CCC[C@H](C[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000344113363 335218345 /nfs/dbraw/zinc/21/83/45/335218345.db2.gz MFNVQJDMCFJRBV-SJORKVTESA-N 2 2 310.526 3.682 20 0 DHADLP CCC1(CC)[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C[C@H]1OC ZINC000344111093 335224207 /nfs/dbraw/zinc/22/42/07/335224207.db2.gz UJSWDRRGABRILT-QZTJIDSGSA-N 2 2 313.445 3.556 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H](c3cccnc3)C3CC3)c2)c[nH+]1 ZINC000344322503 335245335 /nfs/dbraw/zinc/24/53/35/335245335.db2.gz HDAFEZRCOHIPIZ-QGZVFWFLSA-N 2 2 310.426 3.570 20 0 DHADLP CS[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000344326796 335246029 /nfs/dbraw/zinc/24/60/29/335246029.db2.gz OFKGJFUPDRHMQM-INIZCTEOSA-N 2 2 303.475 3.740 20 0 DHADLP Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000344615229 335264336 /nfs/dbraw/zinc/26/43/36/335264336.db2.gz GNLLEGSZLVIDBA-HNNXBMFYSA-N 2 2 309.413 3.885 20 0 DHADLP CCC[NH+]1CCN(c2ccccc2CNc2c[nH+]cc(C)c2)CC1 ZINC000344824130 335281157 /nfs/dbraw/zinc/28/11/57/335281157.db2.gz IGNILWCQXIKMDQ-UHFFFAOYSA-N 2 2 324.472 3.534 20 0 DHADLP c1ccc(N2CCC([NH2+][C@@H]3CCCNc4ccccc43)CC2)[nH+]c1 ZINC000345058765 335296099 /nfs/dbraw/zinc/29/60/99/335296099.db2.gz DAIZMTXWIFQFGU-LJQANCHMSA-N 2 2 322.456 3.587 20 0 DHADLP CC(C)(C)OC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346178310 335378145 /nfs/dbraw/zinc/37/81/45/335378145.db2.gz PKYNSNNLGIVOOW-UHFFFAOYSA-N 2 2 319.474 3.713 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)c2)c[nH+]1 ZINC000346180536 335378223 /nfs/dbraw/zinc/37/82/23/335378223.db2.gz TZNXYEWLVAGVOD-CVEARBPZSA-N 2 2 319.499 3.794 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CCS[C@H]4CCCC[C@H]43)c2)c[nH+]1 ZINC000346180536 335378225 /nfs/dbraw/zinc/37/82/25/335378225.db2.gz TZNXYEWLVAGVOD-CVEARBPZSA-N 2 2 319.499 3.794 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc2cccnc12 ZINC000346162733 335384088 /nfs/dbraw/zinc/38/40/88/335384088.db2.gz FBDMYYABLYAQMR-KXBFYZLASA-N 2 2 320.440 3.823 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc2cccnc12 ZINC000346162733 335384090 /nfs/dbraw/zinc/38/40/90/335384090.db2.gz FBDMYYABLYAQMR-KXBFYZLASA-N 2 2 320.440 3.823 20 0 DHADLP Clc1cccc(Cl)c1C[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000346318164 335399516 /nfs/dbraw/zinc/39/95/16/335399516.db2.gz WERSYBFAFXSPNI-UHFFFAOYSA-N 2 2 310.228 3.855 20 0 DHADLP Clc1cccc(Cl)c1C[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000346318164 335399517 /nfs/dbraw/zinc/39/95/17/335399517.db2.gz WERSYBFAFXSPNI-UHFFFAOYSA-N 2 2 310.228 3.855 20 0 DHADLP Cc1ccc([C@@H](C[NH2+]CCCc2c[nH+]ccc2C)N(C)C)cc1 ZINC000347920536 335538745 /nfs/dbraw/zinc/53/87/45/335538745.db2.gz WRQRRCCEKOSQPQ-HXUWFJFHSA-N 2 2 311.473 3.524 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](C)Oc1ccc(F)cc1 ZINC000348048666 335548170 /nfs/dbraw/zinc/54/81/70/335548170.db2.gz VWQJJTSBTVXCEG-OAHLLOKOSA-N 2 2 302.393 3.519 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000348146458 335557578 /nfs/dbraw/zinc/55/75/78/335557578.db2.gz VCVJIRJWRPANEG-SFHVURJKSA-N 2 2 314.404 3.965 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000348146457 335557643 /nfs/dbraw/zinc/55/76/43/335557643.db2.gz VCVJIRJWRPANEG-GOSISDBHSA-N 2 2 314.404 3.965 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000348323966 335577174 /nfs/dbraw/zinc/57/71/74/335577174.db2.gz KBLKLTNOTZIDBL-UHFFFAOYSA-N 2 2 322.321 3.558 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H](CC)C2CCOCC2)[NH+](C)C)cc1 ZINC000532188521 335912676 /nfs/dbraw/zinc/91/26/76/335912676.db2.gz NWQPBKLULGKPCO-UXHICEINSA-N 2 2 318.505 3.647 20 0 DHADLP Cc1ccc(CCC[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c[nH+]1 ZINC000351491509 336038106 /nfs/dbraw/zinc/03/81/06/336038106.db2.gz IQCPZWVSBIVUJX-JXFKEZNVSA-N 2 2 310.441 3.647 20 0 DHADLP Cc1ccc(CCC[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c[nH+]1 ZINC000351491509 336038107 /nfs/dbraw/zinc/03/81/07/336038107.db2.gz IQCPZWVSBIVUJX-JXFKEZNVSA-N 2 2 310.441 3.647 20 0 DHADLP Fc1ccc2oc(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)cc2c1 ZINC000351546177 336042315 /nfs/dbraw/zinc/04/23/15/336042315.db2.gz PXCHMFNVWDDROF-UHFFFAOYSA-N 2 2 322.343 3.824 20 0 DHADLP Cc1oc2ccccc2c1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351570012 336045840 /nfs/dbraw/zinc/04/58/40/336045840.db2.gz UMFNJWNXRROLRO-UHFFFAOYSA-N 2 2 318.380 3.993 20 0 DHADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000351849395 336073401 /nfs/dbraw/zinc/07/34/01/336073401.db2.gz GPDKLGAFCYZCNZ-AAEUAGOBSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000351849395 336073403 /nfs/dbraw/zinc/07/34/03/336073403.db2.gz GPDKLGAFCYZCNZ-AAEUAGOBSA-N 2 2 321.877 3.633 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)[C@H]1c1ccccc1 ZINC000526112751 336157855 /nfs/dbraw/zinc/15/78/55/336157855.db2.gz HQGPMIIFRAEWSM-LEWJYISDSA-N 2 2 324.468 3.881 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]CCCCOc2ccccc2)[C@H]1c1ccccc1 ZINC000526112751 336157858 /nfs/dbraw/zinc/15/78/58/336157858.db2.gz HQGPMIIFRAEWSM-LEWJYISDSA-N 2 2 324.468 3.881 20 0 DHADLP Fc1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000351921030 336178652 /nfs/dbraw/zinc/17/86/52/336178652.db2.gz JRPLBMYDLKFXSU-UHFFFAOYSA-N 2 2 307.372 3.570 20 0 DHADLP Fc1ccc2c(c1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000351921030 336178653 /nfs/dbraw/zinc/17/86/53/336178653.db2.gz JRPLBMYDLKFXSU-UHFFFAOYSA-N 2 2 307.372 3.570 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000351995303 336186781 /nfs/dbraw/zinc/18/67/81/336186781.db2.gz MLYAYMXFPAUQMS-AWEZNQCLSA-N 2 2 305.372 3.658 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000351995303 336186783 /nfs/dbraw/zinc/18/67/83/336186783.db2.gz MLYAYMXFPAUQMS-AWEZNQCLSA-N 2 2 305.372 3.658 20 0 DHADLP Cc1cc([C@H]2CCC[N@@H+]2Cc2c[nH+]c(C)n2-c2ccccc2)on1 ZINC000352097971 336194807 /nfs/dbraw/zinc/19/48/07/336194807.db2.gz XZBLZJRRGDXHJK-GOSISDBHSA-N 2 2 322.412 3.814 20 0 DHADLP Cc1cc([C@H]2CCC[N@H+]2Cc2c[nH+]c(C)n2-c2ccccc2)on1 ZINC000352097971 336194808 /nfs/dbraw/zinc/19/48/08/336194808.db2.gz XZBLZJRRGDXHJK-GOSISDBHSA-N 2 2 322.412 3.814 20 0 DHADLP C[C@H]([NH2+]CCCOc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000324378828 336202029 /nfs/dbraw/zinc/20/20/29/336202029.db2.gz VWPCRWUXHXKXFI-KRWDZBQOSA-N 2 2 321.424 3.992 20 0 DHADLP CCc1ccc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000352250492 336206794 /nfs/dbraw/zinc/20/67/94/336206794.db2.gz HUKQPNPISYLKDB-QGZVFWFLSA-N 2 2 315.486 3.632 20 0 DHADLP Clc1ccc(/C=C\C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000352345779 336213365 /nfs/dbraw/zinc/21/33/65/336213365.db2.gz OAFBCRLYGHWCGA-BGGTVIOKSA-N 2 2 301.821 3.956 20 0 DHADLP Clc1ccc(/C=C\C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000352345779 336213366 /nfs/dbraw/zinc/21/33/66/336213366.db2.gz OAFBCRLYGHWCGA-BGGTVIOKSA-N 2 2 301.821 3.956 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000352487535 336221620 /nfs/dbraw/zinc/22/16/20/336221620.db2.gz FYKPNYLKNQFMMB-CQSZACIVSA-N 2 2 319.449 3.653 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000352487535 336221621 /nfs/dbraw/zinc/22/16/21/336221621.db2.gz FYKPNYLKNQFMMB-CQSZACIVSA-N 2 2 319.449 3.653 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000352544134 336223679 /nfs/dbraw/zinc/22/36/79/336223679.db2.gz OBRAIGIIWMFXCI-UHFFFAOYSA-N 2 2 321.827 3.896 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000352544134 336223680 /nfs/dbraw/zinc/22/36/80/336223680.db2.gz OBRAIGIIWMFXCI-UHFFFAOYSA-N 2 2 321.827 3.896 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCc3c2cccc3Cl)s1 ZINC000352773209 336235536 /nfs/dbraw/zinc/23/55/36/336235536.db2.gz SXGAHIHJCTYDDO-HNNXBMFYSA-N 2 2 321.877 3.635 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1c3cc(C)ccc3C[C@H]1C)CCC2 ZINC000352782302 336236207 /nfs/dbraw/zinc/23/62/07/336236207.db2.gz HCVXMCGMPMVHDP-LSBZLQRGSA-N 2 2 309.457 3.900 20 0 DHADLP CC[C@@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)C1CCOCC1 ZINC000532460391 336248662 /nfs/dbraw/zinc/24/86/62/336248662.db2.gz OXYASUQAPFXMJL-QGZVFWFLSA-N 2 2 315.461 3.530 20 0 DHADLP CC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000532475887 336251118 /nfs/dbraw/zinc/25/11/18/336251118.db2.gz NFNYBXGNTUJLKO-LPHOPBHVSA-N 2 2 304.453 3.958 20 0 DHADLP Fc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(Cl)c1Cl ZINC000580389969 336264322 /nfs/dbraw/zinc/26/43/22/336264322.db2.gz MTMDSIVIPDMVJU-UHFFFAOYSA-N 2 2 316.207 3.899 20 0 DHADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(O)c1 ZINC000192909513 336284213 /nfs/dbraw/zinc/28/42/13/336284213.db2.gz KZGMLGRAJNETQM-OXQOHEQNSA-N 2 2 310.441 3.880 20 0 DHADLP c1ccc2oc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000367138757 336299805 /nfs/dbraw/zinc/29/98/05/336299805.db2.gz IFDISIBAICBRMQ-INIZCTEOSA-N 2 2 313.445 3.526 20 0 DHADLP c1ccc2oc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000367138757 336299806 /nfs/dbraw/zinc/29/98/06/336299806.db2.gz IFDISIBAICBRMQ-INIZCTEOSA-N 2 2 313.445 3.526 20 0 DHADLP C[C@H]1CCC[N@H+](CCCCNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301529060 336312681 /nfs/dbraw/zinc/31/26/81/336312681.db2.gz OMYYCLBPBYOBCO-HNNXBMFYSA-N 2 2 304.482 3.698 20 0 DHADLP C[C@H]1CCC[N@@H+](CCCCNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301529060 336312682 /nfs/dbraw/zinc/31/26/82/336312682.db2.gz OMYYCLBPBYOBCO-HNNXBMFYSA-N 2 2 304.482 3.698 20 0 DHADLP C[C@@H]1CCC[N@H+](CCCCNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301529062 336312685 /nfs/dbraw/zinc/31/26/85/336312685.db2.gz OMYYCLBPBYOBCO-OAHLLOKOSA-N 2 2 304.482 3.698 20 0 DHADLP C[C@@H]1CCC[N@@H+](CCCCNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301529062 336312686 /nfs/dbraw/zinc/31/26/86/336312686.db2.gz OMYYCLBPBYOBCO-OAHLLOKOSA-N 2 2 304.482 3.698 20 0 DHADLP COc1ccc([C@H](CNc2cc(C)cc[nH+]2)[NH+]2CCCC2)cc1 ZINC000301641261 336320101 /nfs/dbraw/zinc/32/01/01/336320101.db2.gz NLNPGPCWODLVLE-SFHVURJKSA-N 2 2 311.429 3.648 20 0 DHADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1 ZINC000301665668 336321837 /nfs/dbraw/zinc/32/18/37/336321837.db2.gz ZVYBSRCASBWTIQ-HNNXBMFYSA-N 2 2 315.848 3.927 20 0 DHADLP CCc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc2[nH+]1 ZINC000301783707 336329487 /nfs/dbraw/zinc/32/94/87/336329487.db2.gz JXXLTORQTCOLDA-QGZVFWFLSA-N 2 2 319.408 3.850 20 0 DHADLP Clc1ccc2c(N[C@H]3CCN(c4cccc[nH+]4)C3)cc[nH+]c2c1 ZINC000301787599 336329840 /nfs/dbraw/zinc/32/98/40/336329840.db2.gz XFWKLSQLYAKJDE-AWEZNQCLSA-N 2 2 324.815 3.974 20 0 DHADLP Cc1ccc2[nH+]ccc(N3CC[C@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000302219677 336354561 /nfs/dbraw/zinc/35/45/61/336354561.db2.gz LRYPIKVOAATOCS-INIZCTEOSA-N 2 2 305.381 3.596 20 0 DHADLP Cc1cccc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)[nH+]1 ZINC000302231213 336355250 /nfs/dbraw/zinc/35/52/50/336355250.db2.gz CPXXCIHKAYJCAQ-CQSZACIVSA-N 2 2 317.383 3.745 20 0 DHADLP Cc1cccc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)[nH+]1 ZINC000302231213 336355251 /nfs/dbraw/zinc/35/52/51/336355251.db2.gz CPXXCIHKAYJCAQ-CQSZACIVSA-N 2 2 317.383 3.745 20 0 DHADLP Cc1cccc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)[nH+]1 ZINC000302231212 336355287 /nfs/dbraw/zinc/35/52/87/336355287.db2.gz CPXXCIHKAYJCAQ-AWEZNQCLSA-N 2 2 317.383 3.745 20 0 DHADLP Cc1cccc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)[nH+]1 ZINC000302231212 336355288 /nfs/dbraw/zinc/35/52/88/336355288.db2.gz CPXXCIHKAYJCAQ-AWEZNQCLSA-N 2 2 317.383 3.745 20 0 DHADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000563985815 336389583 /nfs/dbraw/zinc/38/95/83/336389583.db2.gz IBLXCCKGNWJUKO-UWVAXJGDSA-N 2 2 324.468 3.748 20 0 DHADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000563985815 336389584 /nfs/dbraw/zinc/38/95/84/336389584.db2.gz IBLXCCKGNWJUKO-UWVAXJGDSA-N 2 2 324.468 3.748 20 0 DHADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000563985813 336389623 /nfs/dbraw/zinc/38/96/23/336389623.db2.gz IBLXCCKGNWJUKO-HLIPFELVSA-N 2 2 324.468 3.748 20 0 DHADLP C[C@H](Cc1cccc(O)c1)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000563985813 336389624 /nfs/dbraw/zinc/38/96/24/336389624.db2.gz IBLXCCKGNWJUKO-HLIPFELVSA-N 2 2 324.468 3.748 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000116263815 336402287 /nfs/dbraw/zinc/40/22/87/336402287.db2.gz IABSZAQYXBFNPM-OAHLLOKOSA-N 2 2 322.456 3.992 20 0 DHADLP Brc1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000353901228 336446886 /nfs/dbraw/zinc/44/68/86/336446886.db2.gz QKZBAXMPGZZMPT-UHFFFAOYSA-N 2 2 320.234 3.552 20 0 DHADLP Cc1[nH+]ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c1Cl ZINC000354154638 336461813 /nfs/dbraw/zinc/46/18/13/336461813.db2.gz CWMYSNMNIBRMEJ-UHFFFAOYSA-N 2 2 319.811 3.505 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)c[nH+]1 ZINC000354183148 336462725 /nfs/dbraw/zinc/46/27/25/336462725.db2.gz XJDYWLNQIKNGHE-GOSISDBHSA-N 2 2 314.404 3.965 20 0 DHADLP Cc1ccc(CCC[NH2+]CCc2ccccc2OC(F)F)c[nH+]1 ZINC000355152048 336496563 /nfs/dbraw/zinc/49/65/63/336496563.db2.gz MYLNEPBUPVIKEA-UHFFFAOYSA-N 2 2 320.383 3.756 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000356298736 336545079 /nfs/dbraw/zinc/54/50/79/336545079.db2.gz DAVGMLGWLAEFOX-AWEZNQCLSA-N 2 2 310.376 3.566 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)Oc1ccccc1 ZINC000358168117 336614465 /nfs/dbraw/zinc/61/44/65/336614465.db2.gz BKLVXTYNVHVUAN-IRXDYDNUSA-N 2 2 321.424 3.990 20 0 DHADLP COC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(C)C ZINC000358351872 336625530 /nfs/dbraw/zinc/62/55/30/336625530.db2.gz LVUCJNGZOYEDCQ-RBUKOAKNSA-N 2 2 315.461 3.502 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccnc1 ZINC000359280150 336665512 /nfs/dbraw/zinc/66/55/12/336665512.db2.gz WLJNXAMBOBSAQG-HXUWFJFHSA-N 2 2 320.440 3.813 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c2ccccc12 ZINC000360040638 336698792 /nfs/dbraw/zinc/69/87/92/336698792.db2.gz VEXSNLLPCSFIJJ-LSDHHAIUSA-N 2 2 309.413 3.784 20 0 DHADLP C[C@H]([NH2+]C1CC(c2ccccn2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000367373825 336733399 /nfs/dbraw/zinc/73/33/99/336733399.db2.gz YLXDGMKTOMPNQU-WVLNKYAVSA-N 2 2 309.457 3.609 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccccc1F ZINC000361050180 336735065 /nfs/dbraw/zinc/73/50/65/336735065.db2.gz GDNRZHRUQNXHTL-RHSMWYFYSA-N 2 2 301.409 3.949 20 0 DHADLP Cc1ccccc1C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000367438375 336822722 /nfs/dbraw/zinc/82/27/22/336822722.db2.gz MPJAKGJKQLBRBA-HXUWFJFHSA-N 2 2 323.484 3.681 20 0 DHADLP Cn1cc[nH+]c1-c1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCF)c1 ZINC000367625406 336826928 /nfs/dbraw/zinc/82/69/28/336826928.db2.gz XXOWAOBHIJGTNB-NVXWUHKLSA-N 2 2 301.409 3.705 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccccc1OC(C)C)CCC2 ZINC000368696204 336851033 /nfs/dbraw/zinc/85/10/33/336851033.db2.gz WVAJJNFYMUGRBW-KRWDZBQOSA-N 2 2 313.445 3.646 20 0 DHADLP C[NH+](C)CCOc1ccc([NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000368957115 336855745 /nfs/dbraw/zinc/85/57/45/336855745.db2.gz AOUFFLCFWUWCRG-UHFFFAOYSA-N 2 2 318.461 3.531 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000369289434 336861737 /nfs/dbraw/zinc/86/17/37/336861737.db2.gz AEHNHCNXNMOWCY-HXUWFJFHSA-N 2 2 309.457 3.555 20 0 DHADLP CC(C)(C)c1ncc(C[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000370120710 336877986 /nfs/dbraw/zinc/87/79/86/336877986.db2.gz ISBMAXQXZFSVKY-UHFFFAOYSA-N 2 2 307.507 3.547 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1C ZINC000371734890 336911677 /nfs/dbraw/zinc/91/16/77/336911677.db2.gz HPMHDVUHRHDDIP-NVXWUHKLSA-N 2 2 313.445 3.737 20 0 DHADLP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000371811759 336913839 /nfs/dbraw/zinc/91/38/39/336913839.db2.gz XJGZJICWKDJWBX-CVEARBPZSA-N 2 2 322.518 3.507 20 0 DHADLP FC(F)(F)CCC[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000372778764 336939361 /nfs/dbraw/zinc/93/93/61/336939361.db2.gz FJUVKEGJYBPZQT-UHFFFAOYSA-N 2 2 306.397 3.645 20 0 DHADLP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373520741 336963624 /nfs/dbraw/zinc/96/36/24/336963624.db2.gz IUBZONFTUZZDLE-HTWSVDAQSA-N 2 2 300.446 3.507 20 0 DHADLP CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccsc1 ZINC000373669289 336968295 /nfs/dbraw/zinc/96/82/95/336968295.db2.gz XSXWKOMXWOERHO-INIZCTEOSA-N 2 2 312.442 3.960 20 0 DHADLP Fc1ccccc1SCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374199052 336983622 /nfs/dbraw/zinc/98/36/22/336983622.db2.gz WBMKFYRQSSZWPK-UHFFFAOYSA-N 2 2 305.422 3.521 20 0 DHADLP C[C@H](c1ccccc1)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375011643 337001540 /nfs/dbraw/zinc/00/15/40/337001540.db2.gz GTUOHJCWKFIICX-GOSISDBHSA-N 2 2 323.484 3.782 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375011643 337001541 /nfs/dbraw/zinc/00/15/41/337001541.db2.gz GTUOHJCWKFIICX-GOSISDBHSA-N 2 2 323.484 3.782 20 0 DHADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1Cl ZINC000375273030 337006995 /nfs/dbraw/zinc/00/69/95/337006995.db2.gz WJFBFFNTEIYRAZ-LLVKDONJSA-N 2 2 307.800 3.863 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1csc(Cl)c1 ZINC000375498278 337012229 /nfs/dbraw/zinc/01/22/29/337012229.db2.gz DVIUHZDRONKVEE-LLVKDONJSA-N 2 2 309.866 3.828 20 0 DHADLP CCCCCC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375515545 337012616 /nfs/dbraw/zinc/01/26/16/337012616.db2.gz SMURFGRUWGFMOE-WMLDXEAASA-N 2 2 309.523 3.832 20 0 DHADLP CCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375515545 337012617 /nfs/dbraw/zinc/01/26/17/337012617.db2.gz SMURFGRUWGFMOE-WMLDXEAASA-N 2 2 309.523 3.832 20 0 DHADLP CCCCOc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000376730025 337040155 /nfs/dbraw/zinc/04/01/55/337040155.db2.gz VJVLAQCKWNMUOC-UHFFFAOYSA-N 2 2 313.445 3.688 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@H](C2CC2)[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000376858683 337042789 /nfs/dbraw/zinc/04/27/89/337042789.db2.gz KUIHOEWSPWIGAR-ZLGUVYLKSA-N 2 2 321.468 3.785 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@H](C2CC2)[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000376858683 337042790 /nfs/dbraw/zinc/04/27/90/337042790.db2.gz KUIHOEWSPWIGAR-ZLGUVYLKSA-N 2 2 321.468 3.785 20 0 DHADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000377012821 337045204 /nfs/dbraw/zinc/04/52/04/337045204.db2.gz LPMJKOTUSZPDTI-HZPDHXFCSA-N 2 2 319.518 3.560 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]C1c3ccccc3-c3ccccc31)C2 ZINC000377342686 337050753 /nfs/dbraw/zinc/05/07/53/337050753.db2.gz BEDQWYBHDVLTBF-HNNXBMFYSA-N 2 2 315.420 3.866 20 0 DHADLP Cc1cccc(NC2CC[NH+](CCCc3c[nH+]ccc3C)CC2)[nH+]1 ZINC000377397897 337051883 /nfs/dbraw/zinc/05/18/83/337051883.db2.gz INPXHUFLUWQXLW-UHFFFAOYSA-N 3 2 324.472 3.603 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377408077 337052199 /nfs/dbraw/zinc/05/21/99/337052199.db2.gz DEXQQRYBZHAKGA-DGCLKSJQSA-N 2 2 319.836 3.670 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377408077 337052200 /nfs/dbraw/zinc/05/22/00/337052200.db2.gz DEXQQRYBZHAKGA-DGCLKSJQSA-N 2 2 319.836 3.670 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000377620311 337056527 /nfs/dbraw/zinc/05/65/27/337056527.db2.gz DDEIGYSMNDQFAK-UHFFFAOYSA-N 2 2 323.396 3.575 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000377629261 337056817 /nfs/dbraw/zinc/05/68/17/337056817.db2.gz SGQHUNIFAXYRLI-SFTDATJTSA-N 3 2 323.484 3.605 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000377629261 337056818 /nfs/dbraw/zinc/05/68/18/337056818.db2.gz SGQHUNIFAXYRLI-SFTDATJTSA-N 3 2 323.484 3.605 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+]Cc3c[nH+]c4n3CCCC4)C2)c1 ZINC000377677748 337058148 /nfs/dbraw/zinc/05/81/48/337058148.db2.gz JJYXLUDSSHISHR-UHFFFAOYSA-N 2 2 317.383 3.533 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cc(-c3ccccc3)cs1)C2 ZINC000377778906 337060842 /nfs/dbraw/zinc/06/08/42/337060842.db2.gz MLMXZYHBNZZQAC-OAHLLOKOSA-N 2 2 309.438 3.785 20 0 DHADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cc(-c3ccccc3)cs1)CC2 ZINC000377778906 337060843 /nfs/dbraw/zinc/06/08/43/337060843.db2.gz MLMXZYHBNZZQAC-OAHLLOKOSA-N 2 2 309.438 3.785 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1Cl ZINC000377798687 337061303 /nfs/dbraw/zinc/06/13/03/337061303.db2.gz LMFIDEHHZNZSTN-KOLCDFICSA-N 2 2 310.228 3.925 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)ccc1Cl ZINC000377799220 337061311 /nfs/dbraw/zinc/06/13/11/337061311.db2.gz RZKCKUYTQZSPSA-GXSJLCMTSA-N 2 2 310.228 3.925 20 0 DHADLP COc1c(C)cc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000377798662 337061369 /nfs/dbraw/zinc/06/13/69/337061369.db2.gz LFBWXRKCYVZGBG-DGCLKSJQSA-N 2 2 319.836 3.588 20 0 DHADLP COc1c(C)cc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000377798662 337061370 /nfs/dbraw/zinc/06/13/70/337061370.db2.gz LFBWXRKCYVZGBG-DGCLKSJQSA-N 2 2 319.836 3.588 20 0 DHADLP Fc1ccccc1[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000377802870 337061594 /nfs/dbraw/zinc/06/15/94/337061594.db2.gz OOYBGXLSVYJBEW-IFXJQAMLSA-N 2 2 313.420 3.927 20 0 DHADLP Fc1ccccc1[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000377802870 337061595 /nfs/dbraw/zinc/06/15/95/337061595.db2.gz OOYBGXLSVYJBEW-IFXJQAMLSA-N 2 2 313.420 3.927 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000377807923 337061757 /nfs/dbraw/zinc/06/17/57/337061757.db2.gz VENYYRAAIXQFHN-JJRVBVJISA-N 2 2 319.474 3.778 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000377887137 337063338 /nfs/dbraw/zinc/06/33/38/337063338.db2.gz CXZXJEZCYAUBIZ-HNNXBMFYSA-N 2 2 324.453 3.533 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000377887137 337063339 /nfs/dbraw/zinc/06/33/39/337063339.db2.gz CXZXJEZCYAUBIZ-HNNXBMFYSA-N 2 2 324.453 3.533 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000377888064 337063359 /nfs/dbraw/zinc/06/33/59/337063359.db2.gz IHZDKUGXDGTHJM-SECBINFHSA-N 2 2 316.257 3.778 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000377888064 337063360 /nfs/dbraw/zinc/06/33/60/337063360.db2.gz IHZDKUGXDGTHJM-SECBINFHSA-N 2 2 316.257 3.778 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000377890959 337063480 /nfs/dbraw/zinc/06/34/80/337063480.db2.gz ZJBOKUYSOJKOAM-CYBMUJFWSA-N 2 2 321.827 3.635 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000377890959 337063481 /nfs/dbraw/zinc/06/34/81/337063481.db2.gz ZJBOKUYSOJKOAM-CYBMUJFWSA-N 2 2 321.827 3.635 20 0 DHADLP CCC(CC)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000378245304 337068644 /nfs/dbraw/zinc/06/86/44/337068644.db2.gz SNXXFZAVWSFEDX-CXAGYDPISA-N 2 2 309.523 3.688 20 0 DHADLP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000378245304 337068645 /nfs/dbraw/zinc/06/86/45/337068645.db2.gz SNXXFZAVWSFEDX-CXAGYDPISA-N 2 2 309.523 3.688 20 0 DHADLP Cc1nc(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)cs1 ZINC000378353890 337070734 /nfs/dbraw/zinc/07/07/34/337070734.db2.gz HHVBGDBFJGAWQO-MRXNPFEDSA-N 2 2 318.490 3.651 20 0 DHADLP Cc1nc(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)cs1 ZINC000378353890 337070735 /nfs/dbraw/zinc/07/07/35/337070735.db2.gz HHVBGDBFJGAWQO-MRXNPFEDSA-N 2 2 318.490 3.651 20 0 DHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C2CC2)cc1 ZINC000378436759 337072615 /nfs/dbraw/zinc/07/26/15/337072615.db2.gz WFWIOTQOHVYZFF-SJLPKXTDSA-N 2 2 311.429 3.510 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(-n3cc[nH+]c3)c1)[C@@H](C)C2 ZINC000378498417 337074459 /nfs/dbraw/zinc/07/44/59/337074459.db2.gz RWDPEYZGAKDYOT-YWZLYKJASA-N 2 2 318.424 3.599 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccccc1OC ZINC000360080045 337085182 /nfs/dbraw/zinc/08/51/82/337085182.db2.gz SVYSNGHDHCIQGA-RDJZCZTQSA-N 2 2 313.445 3.818 20 0 DHADLP CSc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CCC2 ZINC000582606312 337112892 /nfs/dbraw/zinc/11/28/92/337112892.db2.gz NUXVVJHCYXBBTG-CXAGYDPISA-N 2 2 301.459 3.661 20 0 DHADLP CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199621 337161253 /nfs/dbraw/zinc/16/12/53/337161253.db2.gz OVWBNIIVJQHQQX-RDJZCZTQSA-N 2 2 301.434 3.728 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000180402641 337174237 /nfs/dbraw/zinc/17/42/37/337174237.db2.gz MBBPEWKBCJDNBN-CYBMUJFWSA-N 2 2 307.507 3.545 20 0 DHADLP C[C@H]1CC[N@H+](CCCc2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000182912142 337190699 /nfs/dbraw/zinc/19/06/99/337190699.db2.gz SDUFPTJIIBDGLL-YJBOKZPZSA-N 2 2 301.409 3.538 20 0 DHADLP C[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000182912142 337190700 /nfs/dbraw/zinc/19/07/00/337190700.db2.gz SDUFPTJIIBDGLL-YJBOKZPZSA-N 2 2 301.409 3.538 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000183214524 337192237 /nfs/dbraw/zinc/19/22/37/337192237.db2.gz RHCSSCPBFBNLJX-HNNXBMFYSA-N 2 2 301.409 3.680 20 0 DHADLP C[NH+](Cc1ccncc1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000183740915 337193292 /nfs/dbraw/zinc/19/32/92/337193292.db2.gz CNPNULIEPOVUSN-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP C[NH+](Cc1ccncc1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000183740915 337193293 /nfs/dbraw/zinc/19/32/93/337193293.db2.gz CNPNULIEPOVUSN-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)Cc1ccncc1 ZINC000183740915 337193294 /nfs/dbraw/zinc/19/32/94/337193294.db2.gz CNPNULIEPOVUSN-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)Cc1ccncc1 ZINC000183740915 337193295 /nfs/dbraw/zinc/19/32/95/337193295.db2.gz CNPNULIEPOVUSN-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)[nH+]c2c1 ZINC000460938910 337193316 /nfs/dbraw/zinc/19/33/16/337193316.db2.gz RDHKAPZQAWVLDG-VQIMIIECSA-N 2 2 309.457 3.772 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)[nH+]c2c1 ZINC000460938910 337193317 /nfs/dbraw/zinc/19/33/17/337193317.db2.gz RDHKAPZQAWVLDG-VQIMIIECSA-N 2 2 309.457 3.772 20 0 DHADLP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000185196740 337202600 /nfs/dbraw/zinc/20/26/00/337202600.db2.gz RWINDGJXHGPPTK-MOPGFXCFSA-N 2 2 313.445 3.556 20 0 DHADLP COc1ccccc1C1(C[NH2+]Cc2cccc3[nH+]ccn32)CCC1 ZINC000185297250 337203977 /nfs/dbraw/zinc/20/39/77/337203977.db2.gz LMQXFENUDZBNFU-UHFFFAOYSA-N 2 2 321.424 3.554 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc(C3CCCCC3)s1)C2 ZINC000582934261 337215962 /nfs/dbraw/zinc/21/59/62/337215962.db2.gz HEWOROKLEPESAF-CYBMUJFWSA-N 2 2 316.474 3.561 20 0 DHADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cnc(C3CCCCC3)s1)CC2 ZINC000582934261 337215963 /nfs/dbraw/zinc/21/59/63/337215963.db2.gz HEWOROKLEPESAF-CYBMUJFWSA-N 2 2 316.474 3.561 20 0 DHADLP Cc1c[nH+]ccc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000187669587 337267296 /nfs/dbraw/zinc/26/72/96/337267296.db2.gz ICLBAWVLNJNQPW-UHFFFAOYSA-N 2 2 318.465 3.556 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2nccnc2C)cc1 ZINC000188126676 337270905 /nfs/dbraw/zinc/27/09/05/337270905.db2.gz XJHYFAPAGCGIPR-ZFWWWQNUSA-N 2 2 321.428 3.691 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000583232283 337281223 /nfs/dbraw/zinc/28/12/23/337281223.db2.gz UDURBGOUHACAHZ-UHFFFAOYSA-N 2 2 310.441 3.940 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000583232283 337281224 /nfs/dbraw/zinc/28/12/24/337281224.db2.gz UDURBGOUHACAHZ-UHFFFAOYSA-N 2 2 310.441 3.940 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000398071477 337304173 /nfs/dbraw/zinc/30/41/73/337304173.db2.gz ZADGAOSQDGFTPX-JXFKEZNVSA-N 2 2 312.457 3.842 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000398071477 337304174 /nfs/dbraw/zinc/30/41/74/337304174.db2.gz ZADGAOSQDGFTPX-JXFKEZNVSA-N 2 2 312.457 3.842 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166703 337386927 /nfs/dbraw/zinc/38/69/27/337386927.db2.gz IQXMKBDRIJNJEJ-CYBMUJFWSA-N 2 2 319.399 3.714 20 0 DHADLP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000123457648 337398895 /nfs/dbraw/zinc/39/88/95/337398895.db2.gz KBGHSSGGBJIPFJ-PKOBYXMFSA-N 2 2 315.505 3.852 20 0 DHADLP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000123457648 337398896 /nfs/dbraw/zinc/39/88/96/337398896.db2.gz KBGHSSGGBJIPFJ-PKOBYXMFSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2F)cn1 ZINC000126295101 337416087 /nfs/dbraw/zinc/41/60/87/337416087.db2.gz KNRYMCGFHWQTJW-CYBMUJFWSA-N 2 2 310.376 3.566 20 0 DHADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000247287460 337558966 /nfs/dbraw/zinc/55/89/66/337558966.db2.gz YXZQPNJAJOBLMD-SQGPQFPESA-N 2 2 315.505 3.850 20 0 DHADLP Fc1ccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c(Cl)c1 ZINC000572295340 337606581 /nfs/dbraw/zinc/60/65/81/337606581.db2.gz GFJYAKHTRPXFSS-UHFFFAOYSA-N 2 2 324.871 3.972 20 0 DHADLP [NH3+]C1(c2noc(-c3cccc(Oc4cc[nH+]cc4)c3)n2)CCCC1 ZINC000261866144 337611916 /nfs/dbraw/zinc/61/19/16/337611916.db2.gz UVVWEVOXDBZEHK-UHFFFAOYSA-N 2 2 322.368 3.652 20 0 DHADLP COC1([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)CCCCC1 ZINC000421825324 337646292 /nfs/dbraw/zinc/64/62/92/337646292.db2.gz MVPNUBUTAUWLEY-INIZCTEOSA-N 2 2 305.466 3.601 20 0 DHADLP CC(C)Oc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422711280 337683790 /nfs/dbraw/zinc/68/37/90/337683790.db2.gz GVKCXOZZPWXQIL-LPHOPBHVSA-N 2 2 312.457 3.522 20 0 DHADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422870362 337689465 /nfs/dbraw/zinc/68/94/65/337689465.db2.gz YQDMFGZVVGJHJA-QWHCGFSZSA-N 2 2 313.426 3.526 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1F)C1C[NH2+]C1 ZINC000422924898 337691772 /nfs/dbraw/zinc/69/17/72/337691772.db2.gz ALMIDTCZOHYKBH-LBPRGKRZSA-N 2 2 318.823 3.844 20 0 DHADLP Cc1cccn2cc(-c3ccc(N[C@H](C)CCC[NH3+])cc3)[nH+]c12 ZINC000422927011 337691854 /nfs/dbraw/zinc/69/18/54/337691854.db2.gz XWYJKRSLMPFEDB-OAHLLOKOSA-N 2 2 308.429 3.849 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)c2ccccc21 ZINC000422938556 337692483 /nfs/dbraw/zinc/69/24/83/337692483.db2.gz HDVOFIPYMXMJIV-BRWVUGGUSA-N 2 2 314.816 3.898 20 0 DHADLP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423052155 337697260 /nfs/dbraw/zinc/69/72/60/337697260.db2.gz PWHYKFUXUWXWFS-IGNZVWTISA-N 2 2 312.461 3.742 20 0 DHADLP COc1ccc([C@H]([NH2+]CCCCCSC)[C@H]2CCC[NH2+]2)cc1 ZINC000423056938 337697569 /nfs/dbraw/zinc/69/75/69/337697569.db2.gz YJOGEWSGYVPQQY-MSOLQXFVSA-N 2 2 322.518 3.611 20 0 DHADLP [NH3+]C1(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CCCCCC1 ZINC000423198839 337703488 /nfs/dbraw/zinc/70/34/88/337703488.db2.gz IFBJSGZQAHXIAF-IBGZPJMESA-N 2 2 309.457 3.812 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1csc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000423216293 337704953 /nfs/dbraw/zinc/70/49/53/337704953.db2.gz OIXLZIRDISCSEJ-IJEWVQPXSA-N 2 2 315.486 3.849 20 0 DHADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229778 337705890 /nfs/dbraw/zinc/70/58/90/337705890.db2.gz CADFAIZTDZWNHY-AAEUAGOBSA-N 2 2 319.449 3.660 20 0 DHADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423261823 337708079 /nfs/dbraw/zinc/70/80/79/337708079.db2.gz KZEIHEUAEAFRLX-ZFWWWQNUSA-N 2 2 303.475 3.834 20 0 DHADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000423264496 337708279 /nfs/dbraw/zinc/70/82/79/337708279.db2.gz CCOQQLDLODPJCX-RISCZKNCSA-N 2 2 307.438 3.583 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc2ccccc2c1OC(F)F ZINC000423332389 337712410 /nfs/dbraw/zinc/71/24/10/337712410.db2.gz VCZBXAZNMWDGDW-BDJLRTHQSA-N 2 2 320.383 3.829 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1nc(-c2ccccc2)cs1 ZINC000423358279 337714202 /nfs/dbraw/zinc/71/42/02/337714202.db2.gz JFOLAPMISQJFDO-UKRRQHHQSA-N 2 2 301.459 3.603 20 0 DHADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)ccc1SC ZINC000423377291 337717307 /nfs/dbraw/zinc/71/73/07/337717307.db2.gz FFEIPNVBKBMZRW-DYVFJYSZSA-N 2 2 322.518 3.846 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cnc2ccsc2c1 ZINC000423394843 337718603 /nfs/dbraw/zinc/71/86/03/337718603.db2.gz SDQRFEUQAQNLIC-LRDDRELGSA-N 2 2 303.475 3.725 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc2c(s1)CCC2 ZINC000423506598 337723586 /nfs/dbraw/zinc/72/35/86/337723586.db2.gz IBRXVGUAPCTQKD-XOKHGSTOSA-N 2 2 312.482 3.643 20 0 DHADLP CC[C@H](C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1)[NH+]1CCCC1 ZINC000536948275 337857761 /nfs/dbraw/zinc/85/77/61/337857761.db2.gz MOIMEDCZWRJPAC-IEBWSBKVSA-N 2 2 302.462 3.610 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000537589286 337946093 /nfs/dbraw/zinc/94/60/93/337946093.db2.gz INPWFZQAEDWOBG-CQSZACIVSA-N 2 2 322.412 3.860 20 0 DHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000315530848 337988201 /nfs/dbraw/zinc/98/82/01/337988201.db2.gz ZSQPSIKPYZJPAA-SFHVURJKSA-N 2 2 301.478 3.999 20 0 DHADLP CCc1nc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)o1 ZINC000426324541 338027072 /nfs/dbraw/zinc/02/70/72/338027072.db2.gz FRDCNJNFTFGAEL-RHSMWYFYSA-N 2 2 319.493 3.678 20 0 DHADLP CCCc1csc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)n1 ZINC000426417481 338031451 /nfs/dbraw/zinc/03/14/51/338031451.db2.gz RTKIVKYKXIWTAE-HNNXBMFYSA-N 2 2 318.490 3.692 20 0 DHADLP CCCc1csc(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)n1 ZINC000426417481 338031452 /nfs/dbraw/zinc/03/14/52/338031452.db2.gz RTKIVKYKXIWTAE-HNNXBMFYSA-N 2 2 318.490 3.692 20 0 DHADLP Clc1cccc(S[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000429168392 338072398 /nfs/dbraw/zinc/07/23/98/338072398.db2.gz CGDSJFFDCHQADT-MRXNPFEDSA-N 2 2 321.877 3.793 20 0 DHADLP Clc1cccc(S[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000429168392 338072399 /nfs/dbraw/zinc/07/23/99/338072399.db2.gz CGDSJFFDCHQADT-MRXNPFEDSA-N 2 2 321.877 3.793 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CCC1 ZINC000429454262 338081620 /nfs/dbraw/zinc/08/16/20/338081620.db2.gz ONPSBQJSDWIQKK-JENIJYKNSA-N 2 2 318.505 3.924 20 0 DHADLP CCC(CC)(CC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429678629 338087124 /nfs/dbraw/zinc/08/71/24/338087124.db2.gz GEWGEZZCCFXSNE-LJQANCHMSA-N 2 2 318.505 3.836 20 0 DHADLP CCC(CC)(CC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429678629 338087125 /nfs/dbraw/zinc/08/71/25/338087125.db2.gz GEWGEZZCCFXSNE-LJQANCHMSA-N 2 2 318.505 3.836 20 0 DHADLP CCc1ccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C3CC3)cs2)cc1 ZINC000430590651 338109430 /nfs/dbraw/zinc/10/94/30/338109430.db2.gz LNVGXAXCNGLVQX-GOSISDBHSA-N 2 2 315.486 3.590 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000430768663 338114269 /nfs/dbraw/zinc/11/42/69/338114269.db2.gz PTOKXTUGRNMBHJ-BPQIPLTHSA-N 2 2 322.443 3.922 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000430768663 338114270 /nfs/dbraw/zinc/11/42/70/338114270.db2.gz PTOKXTUGRNMBHJ-BPQIPLTHSA-N 2 2 322.443 3.922 20 0 DHADLP CCCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](C)c1ccccc1 ZINC000431085758 338122041 /nfs/dbraw/zinc/12/20/41/338122041.db2.gz LAUROHHKVROHFO-CQSZACIVSA-N 2 2 316.449 3.627 20 0 DHADLP CCCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](C)c1ccccc1 ZINC000431085758 338122042 /nfs/dbraw/zinc/12/20/42/338122042.db2.gz LAUROHHKVROHFO-CQSZACIVSA-N 2 2 316.449 3.627 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431147974 338124163 /nfs/dbraw/zinc/12/41/63/338124163.db2.gz VZMILBPVONOIDT-TZMCWYRMSA-N 2 2 304.340 3.574 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431147974 338124164 /nfs/dbraw/zinc/12/41/64/338124164.db2.gz VZMILBPVONOIDT-TZMCWYRMSA-N 2 2 304.340 3.574 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432235021 338149551 /nfs/dbraw/zinc/14/95/51/338149551.db2.gz XZVQWYRFSSNGPX-SECBINFHSA-N 2 2 302.180 3.507 20 0 DHADLP FC(F)(F)c1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000432746856 338166081 /nfs/dbraw/zinc/16/60/81/338166081.db2.gz GFBXGMHGPQOQFF-UHFFFAOYSA-N 2 2 315.364 3.870 20 0 DHADLP FC(F)(F)c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000432746856 338166082 /nfs/dbraw/zinc/16/60/82/338166082.db2.gz GFBXGMHGPQOQFF-UHFFFAOYSA-N 2 2 315.364 3.870 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3s2)C[C@H]1C ZINC000432753625 338166544 /nfs/dbraw/zinc/16/65/44/338166544.db2.gz VXSNZQFDNYWXCZ-OCCSQVGLSA-N 2 2 321.465 3.740 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(F)cc3s2)C[C@H]1C ZINC000432753625 338166545 /nfs/dbraw/zinc/16/65/45/338166545.db2.gz VXSNZQFDNYWXCZ-OCCSQVGLSA-N 2 2 321.465 3.740 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(F)cc3s2)C[C@H]1C ZINC000432753625 338166546 /nfs/dbraw/zinc/16/65/46/338166546.db2.gz VXSNZQFDNYWXCZ-OCCSQVGLSA-N 2 2 321.465 3.740 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(F)cc3s2)C[C@H]1C ZINC000432753625 338166547 /nfs/dbraw/zinc/16/65/47/338166547.db2.gz VXSNZQFDNYWXCZ-OCCSQVGLSA-N 2 2 321.465 3.740 20 0 DHADLP Cc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1ccc(Cl)cc1 ZINC000434659238 338222564 /nfs/dbraw/zinc/22/25/64/338222564.db2.gz NVDQKNNQBVJJGM-UHFFFAOYSA-N 2 2 321.877 3.695 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1nccs1 ZINC000153412257 338224165 /nfs/dbraw/zinc/22/41/65/338224165.db2.gz IXEVOEJBJBFTCK-IJEWVQPXSA-N 2 2 307.507 3.837 20 0 DHADLP Clc1cccc(OCCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000434999609 338229425 /nfs/dbraw/zinc/22/94/25/338229425.db2.gz INJYPHXMYJAPPJ-UHFFFAOYSA-N 2 2 319.836 3.712 20 0 DHADLP CC[N@H+](Cc1ncc(-c2ccccc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435389312 338238664 /nfs/dbraw/zinc/23/86/64/338238664.db2.gz JYRVNYDMUNUIBG-INIZCTEOSA-N 2 2 315.486 3.774 20 0 DHADLP CC[N@@H+](Cc1ncc(-c2ccccc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435389312 338238665 /nfs/dbraw/zinc/23/86/65/338238665.db2.gz JYRVNYDMUNUIBG-INIZCTEOSA-N 2 2 315.486 3.774 20 0 DHADLP COc1cc(Cl)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000435439442 338240208 /nfs/dbraw/zinc/24/02/08/338240208.db2.gz VCLNFLCDUDHBNH-LBPRGKRZSA-N 2 2 317.260 3.576 20 0 DHADLP COc1cc(Cl)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000435439442 338240209 /nfs/dbraw/zinc/24/02/09/338240209.db2.gz VCLNFLCDUDHBNH-LBPRGKRZSA-N 2 2 317.260 3.576 20 0 DHADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000436305903 338268060 /nfs/dbraw/zinc/26/80/60/338268060.db2.gz HEHGNOLWZZDHCO-UKBAYJJMSA-N 2 2 308.510 3.575 20 0 DHADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000436305903 338268061 /nfs/dbraw/zinc/26/80/61/338268061.db2.gz HEHGNOLWZZDHCO-UKBAYJJMSA-N 2 2 308.510 3.575 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437114851 338301727 /nfs/dbraw/zinc/30/17/27/338301727.db2.gz NIFTVSTVMXPVHN-ZDUSSCGKSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@@H](C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000437800296 338322062 /nfs/dbraw/zinc/32/20/62/338322062.db2.gz XCSYLIMWJBXGBH-HOTGVXAUSA-N 2 2 315.436 3.617 20 0 DHADLP C[C@@H](C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000437800296 338322063 /nfs/dbraw/zinc/32/20/63/338322063.db2.gz XCSYLIMWJBXGBH-HOTGVXAUSA-N 2 2 315.436 3.617 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CCSC1 ZINC000438173760 338334858 /nfs/dbraw/zinc/33/48/58/338334858.db2.gz DWYZJUKVNWZFIW-QRVBRYPASA-N 2 2 318.530 3.524 20 0 DHADLP CC[C@H](F)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000440793821 338397677 /nfs/dbraw/zinc/39/76/77/338397677.db2.gz ATZQJVXPVNEXOF-OALUTQOASA-N 2 2 304.453 3.723 20 0 DHADLP CC[C@H](F)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000440793821 338397678 /nfs/dbraw/zinc/39/76/78/338397678.db2.gz ATZQJVXPVNEXOF-OALUTQOASA-N 2 2 304.453 3.723 20 0 DHADLP CC[C@H](F)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000440793821 338397679 /nfs/dbraw/zinc/39/76/79/338397679.db2.gz ATZQJVXPVNEXOF-OALUTQOASA-N 2 2 304.453 3.723 20 0 DHADLP CC[C@H](F)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000440793821 338397680 /nfs/dbraw/zinc/39/76/80/338397680.db2.gz ATZQJVXPVNEXOF-OALUTQOASA-N 2 2 304.453 3.723 20 0 DHADLP C[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000447094335 338545234 /nfs/dbraw/zinc/54/52/34/338545234.db2.gz RBIKVOYNHZUOBA-KRWDZBQOSA-N 2 2 315.505 3.995 20 0 DHADLP CO[C@@](C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000449483076 338629533 /nfs/dbraw/zinc/62/95/33/338629533.db2.gz GCUVDDLNBBLPNW-FQEVSTJZSA-N 2 2 321.424 3.524 20 0 DHADLP CCc1cc(NCc2[nH+]ccn2CCCc2ccccc2)cc[nH+]1 ZINC000450374409 338680573 /nfs/dbraw/zinc/68/05/73/338680573.db2.gz FJJPMYBEDAYRCP-UHFFFAOYSA-N 2 2 320.440 3.507 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000450711124 338700444 /nfs/dbraw/zinc/70/04/44/338700444.db2.gz OSBCPSTWEAQWKV-UONOGXRCSA-N 2 2 305.372 3.958 20 0 DHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C(C)C)s1 ZINC000450751744 338703487 /nfs/dbraw/zinc/70/34/87/338703487.db2.gz DSUGUYVSZCCYEG-CABCVRRESA-N 2 2 324.538 3.652 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H](CC)c2ccncc2)[NH+](C)C)cc1 ZINC000453061908 338789108 /nfs/dbraw/zinc/78/91/08/338789108.db2.gz SWGUBNHGWFHIKH-UXHICEINSA-N 2 2 311.473 3.988 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccncc1 ZINC000453083089 338791681 /nfs/dbraw/zinc/79/16/81/338791681.db2.gz MVALOPRAFNLIKC-LJQANCHMSA-N 2 2 306.413 3.567 20 0 DHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C1CC1)C1CCC1)C2 ZINC000453086356 338792140 /nfs/dbraw/zinc/79/21/40/338792140.db2.gz LRSKJEFZCDEOBY-QAPCUYQASA-N 2 2 301.478 3.664 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccncc1 ZINC000453095646 338793177 /nfs/dbraw/zinc/79/31/77/338793177.db2.gz WPXJQNRYWALFNH-HZPDHXFCSA-N 2 2 312.461 3.631 20 0 DHADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@]1(C)CCCO1 ZINC000453233074 338811554 /nfs/dbraw/zinc/81/15/54/338811554.db2.gz JKCJQCFGLBIIME-GUYCJALGSA-N 2 2 319.836 3.573 20 0 DHADLP CC1(c2ccccc2)CC([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000459413902 339027916 /nfs/dbraw/zinc/02/79/16/339027916.db2.gz XZEDFOSNRUHVHI-UHFFFAOYSA-N 2 2 309.457 3.984 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C3CC4(CCC4)C3)C2)CC1 ZINC000459525527 339034030 /nfs/dbraw/zinc/03/40/30/339034030.db2.gz KUXPDWXWTGGYTP-UHFFFAOYSA-N 2 2 316.411 3.714 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)c1 ZINC000459659474 339041102 /nfs/dbraw/zinc/04/11/02/339041102.db2.gz KDFSDIQGSHLODL-CRAIPNDOSA-N 2 2 317.864 3.617 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459667847 339041731 /nfs/dbraw/zinc/04/17/31/339041731.db2.gz SJXHNTGHJJFDHC-UKTHLTGXSA-N 2 2 323.362 3.675 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H](C)C1)c1cccc(OC)c1 ZINC000462679372 339083908 /nfs/dbraw/zinc/08/39/08/339083908.db2.gz ILMIPUXALUDPJK-KVSKMBFKSA-N 2 2 304.478 3.856 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000467349070 339233169 /nfs/dbraw/zinc/23/31/69/339233169.db2.gz HWDWFUDPXOBDLJ-WWGRRREGSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000467349070 339233170 /nfs/dbraw/zinc/23/31/70/339233170.db2.gz HWDWFUDPXOBDLJ-WWGRRREGSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000467356359 339233654 /nfs/dbraw/zinc/23/36/54/339233654.db2.gz VLIHHWVCOGVVJA-CYBMUJFWSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000467355964 339233699 /nfs/dbraw/zinc/23/36/99/339233699.db2.gz QQKFPNWPJFUNEL-STQMWFEESA-N 2 2 314.395 3.709 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000467355964 339233700 /nfs/dbraw/zinc/23/37/00/339233700.db2.gz QQKFPNWPJFUNEL-STQMWFEESA-N 2 2 314.395 3.709 20 0 DHADLP CCCCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000468395081 339261771 /nfs/dbraw/zinc/26/17/71/339261771.db2.gz XNFWWNUPFHCKSS-PKOBYXMFSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000468395081 339261772 /nfs/dbraw/zinc/26/17/72/339261772.db2.gz XNFWWNUPFHCKSS-PKOBYXMFSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000468395081 339261773 /nfs/dbraw/zinc/26/17/73/339261773.db2.gz XNFWWNUPFHCKSS-PKOBYXMFSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000468395081 339261774 /nfs/dbraw/zinc/26/17/74/339261774.db2.gz XNFWWNUPFHCKSS-PKOBYXMFSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000468395079 339261802 /nfs/dbraw/zinc/26/18/02/339261802.db2.gz XNFWWNUPFHCKSS-IEBWSBKVSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000468395079 339261803 /nfs/dbraw/zinc/26/18/03/339261803.db2.gz XNFWWNUPFHCKSS-IEBWSBKVSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000468395079 339261804 /nfs/dbraw/zinc/26/18/04/339261804.db2.gz XNFWWNUPFHCKSS-IEBWSBKVSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000468395079 339261805 /nfs/dbraw/zinc/26/18/05/339261805.db2.gz XNFWWNUPFHCKSS-IEBWSBKVSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000468395080 339261813 /nfs/dbraw/zinc/26/18/13/339261813.db2.gz XNFWWNUPFHCKSS-MJGOQNOKSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000468395080 339261814 /nfs/dbraw/zinc/26/18/14/339261814.db2.gz XNFWWNUPFHCKSS-MJGOQNOKSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000468395080 339261815 /nfs/dbraw/zinc/26/18/15/339261815.db2.gz XNFWWNUPFHCKSS-MJGOQNOKSA-N 2 2 316.489 3.782 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000468395080 339261816 /nfs/dbraw/zinc/26/18/16/339261816.db2.gz XNFWWNUPFHCKSS-MJGOQNOKSA-N 2 2 316.489 3.782 20 0 DHADLP Cc1ccc2[nH]c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2c1C ZINC000473146426 339382727 /nfs/dbraw/zinc/38/27/27/339382727.db2.gz UBNBKTVSXRJTES-OXQOHEQNSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1ccc2[nH]c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2c1C ZINC000473146426 339382728 /nfs/dbraw/zinc/38/27/28/339382728.db2.gz UBNBKTVSXRJTES-OXQOHEQNSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2c1C ZINC000473146426 339382729 /nfs/dbraw/zinc/38/27/29/339382729.db2.gz UBNBKTVSXRJTES-OXQOHEQNSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2c1C ZINC000473146426 339382730 /nfs/dbraw/zinc/38/27/30/339382730.db2.gz UBNBKTVSXRJTES-OXQOHEQNSA-N 2 2 311.473 3.701 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1 ZINC000474458003 339415192 /nfs/dbraw/zinc/41/51/92/339415192.db2.gz HDADMKUSYPBZQM-ZACQAIPSSA-N 2 2 304.478 3.651 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000474473623 339416266 /nfs/dbraw/zinc/41/62/66/339416266.db2.gz KFDSHHYDOUBVRF-IAGOWNOFSA-N 2 2 304.478 3.653 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1OCc1ccccc1 ZINC000479870519 339551749 /nfs/dbraw/zinc/55/17/49/339551749.db2.gz BILBFNWMTISTCQ-QGZVFWFLSA-N 2 2 312.457 3.868 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000480152149 339560793 /nfs/dbraw/zinc/56/07/93/339560793.db2.gz XOOJBHVRAYYYGS-CQSZACIVSA-N 2 2 310.869 3.875 20 0 DHADLP COC[C@@H](CC(C)C)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000482949947 339648024 /nfs/dbraw/zinc/64/80/24/339648024.db2.gz USAHGKIRMMYBSV-SJLPKXTDSA-N 2 2 306.494 3.767 20 0 DHADLP C[C@@H](C[NH2+]C1(C[NH+](C)C)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000501898748 340090403 /nfs/dbraw/zinc/09/04/03/340090403.db2.gz IVKCQDUBGVCJQJ-ZDUSSCGKSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1nc2c(s1)CCC2 ZINC000502059539 340094464 /nfs/dbraw/zinc/09/44/64/340094464.db2.gz XDKKLCDINAOGBU-CYBMUJFWSA-N 2 2 319.518 3.689 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000502698720 340111128 /nfs/dbraw/zinc/11/11/28/340111128.db2.gz GRWAMZZIQPPPSJ-GTAWCEEGSA-N 2 2 316.489 3.617 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000502698720 340111129 /nfs/dbraw/zinc/11/11/29/340111129.db2.gz GRWAMZZIQPPPSJ-GTAWCEEGSA-N 2 2 316.489 3.617 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2CCOC)[NH+](C)C)cc1 ZINC000502699548 340111239 /nfs/dbraw/zinc/11/12/39/340111239.db2.gz LGTKFTOMCKETGU-SXLOBPIMSA-N 2 2 318.505 3.647 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2CCOC)[NH+](C)C)cc1 ZINC000502699547 340111339 /nfs/dbraw/zinc/11/13/39/340111339.db2.gz LGTKFTOMCKETGU-RLLQIKCJSA-N 2 2 318.505 3.647 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000503073102 340120347 /nfs/dbraw/zinc/12/03/47/340120347.db2.gz MVWIIJMVSLGYPA-PMACEKPBSA-N 2 2 312.432 3.989 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000503073102 340120348 /nfs/dbraw/zinc/12/03/48/340120348.db2.gz MVWIIJMVSLGYPA-PMACEKPBSA-N 2 2 312.432 3.989 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506474973 340195064 /nfs/dbraw/zinc/19/50/64/340195064.db2.gz RDHGQDXLQJIWPR-UHFFFAOYSA-N 2 2 318.505 3.825 20 0 DHADLP C[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507475177 340221577 /nfs/dbraw/zinc/22/15/77/340221577.db2.gz ZOKFLVAFBOXQNP-KGLIPLIRSA-N 2 2 306.416 3.819 20 0 DHADLP CC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCCC1 ZINC000507497888 340222884 /nfs/dbraw/zinc/22/28/84/340222884.db2.gz SYCCVGCEHOREMV-UHFFFAOYSA-N 2 2 306.416 3.963 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000509910599 340282587 /nfs/dbraw/zinc/28/25/87/340282587.db2.gz NCMNWMKAAIHTLX-NBVRZTHBSA-N 2 2 316.489 3.558 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510659007 340305563 /nfs/dbraw/zinc/30/55/63/340305563.db2.gz VZSDXDBMMBIGOD-HXUWFJFHSA-N 2 2 312.432 3.907 20 0 DHADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000511585384 340331484 /nfs/dbraw/zinc/33/14/84/340331484.db2.gz BJAFDWCQGVULFJ-RMYJWEKJSA-N 2 2 306.881 3.904 20 0 DHADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000511585384 340331485 /nfs/dbraw/zinc/33/14/85/340331485.db2.gz BJAFDWCQGVULFJ-RMYJWEKJSA-N 2 2 306.881 3.904 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC000512211412 340352464 /nfs/dbraw/zinc/35/24/64/340352464.db2.gz JQBJFKWCBGEVOL-SJORKVTESA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC000512211412 340352465 /nfs/dbraw/zinc/35/24/65/340352465.db2.gz JQBJFKWCBGEVOL-SJORKVTESA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000512211412 340352466 /nfs/dbraw/zinc/35/24/66/340352466.db2.gz JQBJFKWCBGEVOL-SJORKVTESA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000512211412 340352467 /nfs/dbraw/zinc/35/24/67/340352467.db2.gz JQBJFKWCBGEVOL-SJORKVTESA-N 2 2 304.453 3.912 20 0 DHADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000513032539 340389588 /nfs/dbraw/zinc/38/95/88/340389588.db2.gz RZRKTPGUQNVVQA-AAWPKVBNSA-N 2 2 303.837 3.866 20 0 DHADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000513050933 340390908 /nfs/dbraw/zinc/39/09/08/340390908.db2.gz IQXJYXPTTTUIHH-CHWSQXEVSA-N 2 2 306.416 3.818 20 0 DHADLP CC1(C)CCC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000513212635 340397545 /nfs/dbraw/zinc/39/75/45/340397545.db2.gz OLCSYXMTFVBPRT-UHFFFAOYSA-N 2 2 306.416 3.962 20 0 DHADLP C[C@@H]1CC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C[C@@H](C)C1 ZINC000513238785 340398954 /nfs/dbraw/zinc/39/89/54/340398954.db2.gz QCXAPCPWGYBXBS-STQMWFEESA-N 2 2 306.416 3.818 20 0 DHADLP C[C@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H](c1ccccc1)[NH+](C)C ZINC000185677354 340504190 /nfs/dbraw/zinc/50/41/90/340504190.db2.gz VKPNGQKUFRLWPE-HRAATJIYSA-N 2 2 322.452 3.743 20 0 DHADLP COc1ccc([C@H](C[NH2+]C[C@@H]2CC=CCC2)[NH+]2CCCC2)cc1 ZINC000237331783 340670065 /nfs/dbraw/zinc/67/00/65/340670065.db2.gz WLQCRJTVWPORQA-XLIONFOSSA-N 2 2 314.473 3.778 20 0 DHADLP CCc1cnc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)s1 ZINC000541314022 340966568 /nfs/dbraw/zinc/96/65/68/340966568.db2.gz VPKJLCIMRJSYML-GDBMZVCRSA-N 2 2 309.523 3.696 20 0 DHADLP c1cn(CCCC[NH2+]Cc2ccc(Oc3ccccc3)o2)c[nH+]1 ZINC000542799368 341021017 /nfs/dbraw/zinc/02/10/17/341021017.db2.gz OIWFBGCHJJZDNL-UHFFFAOYSA-N 2 2 311.385 3.838 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)o1 ZINC000543246211 341037972 /nfs/dbraw/zinc/03/79/72/341037972.db2.gz XVTNVZSJVBQXTH-MLGOLLRUSA-N 2 2 313.426 3.940 20 0 DHADLP COc1ccc(C2CCC([NH2+]CC[N@@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000543403702 341042515 /nfs/dbraw/zinc/04/25/15/341042515.db2.gz KFMLBELBQFLZIZ-MUYFXNHWSA-N 2 2 316.489 3.653 20 0 DHADLP COc1ccc(C2CCC([NH2+]CC[N@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000543403702 341042516 /nfs/dbraw/zinc/04/25/16/341042516.db2.gz KFMLBELBQFLZIZ-MUYFXNHWSA-N 2 2 316.489 3.653 20 0 DHADLP FC1(F)CCC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000543414712 341043252 /nfs/dbraw/zinc/04/32/52/341043252.db2.gz LKNFIJLEPVRZCD-SJORKVTESA-N 2 2 308.416 3.819 20 0 DHADLP FC1(F)CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000543414712 341043253 /nfs/dbraw/zinc/04/32/53/341043253.db2.gz LKNFIJLEPVRZCD-SJORKVTESA-N 2 2 308.416 3.819 20 0 DHADLP Cc1cc(N2CCN(c3c[nH+]ccc3C)CC2)c2ccccc2[nH+]1 ZINC000543852438 341061640 /nfs/dbraw/zinc/06/16/40/341061640.db2.gz QHJNWDZTBHSOIR-UHFFFAOYSA-N 2 2 318.424 3.573 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(F)c1 ZINC000544373910 341078968 /nfs/dbraw/zinc/07/89/68/341078968.db2.gz YEBWDFUIKBWNLY-HUUCEWRRSA-N 2 2 308.441 3.749 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CCC2)o1 ZINC000544576176 341086777 /nfs/dbraw/zinc/08/67/77/341086777.db2.gz ZKYNPXMJTNKXBD-LJQANCHMSA-N 2 2 309.413 3.909 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000544608881 341088741 /nfs/dbraw/zinc/08/87/41/341088741.db2.gz HDBCSWJUFHICJJ-FOSCPCJNSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000544608881 341088742 /nfs/dbraw/zinc/08/87/42/341088742.db2.gz HDBCSWJUFHICJJ-FOSCPCJNSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000544608881 341088743 /nfs/dbraw/zinc/08/87/43/341088743.db2.gz HDBCSWJUFHICJJ-FOSCPCJNSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000544608881 341088744 /nfs/dbraw/zinc/08/87/44/341088744.db2.gz HDBCSWJUFHICJJ-FOSCPCJNSA-N 2 2 308.416 3.642 20 0 DHADLP COCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072972765 341111793 /nfs/dbraw/zinc/11/17/93/341111793.db2.gz GPDSMHWFXMMHAK-UHFFFAOYSA-N 2 2 321.424 3.521 20 0 DHADLP COCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072972765 341111794 /nfs/dbraw/zinc/11/17/94/341111794.db2.gz GPDSMHWFXMMHAK-UHFFFAOYSA-N 2 2 321.424 3.521 20 0 DHADLP Fc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)o2)cc1 ZINC000073381178 341115941 /nfs/dbraw/zinc/11/59/41/341115941.db2.gz JQSDLEYJXSGYNG-UHFFFAOYSA-N 2 2 314.404 3.802 20 0 DHADLP CCc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)o1 ZINC000132292070 341120266 /nfs/dbraw/zinc/12/02/66/341120266.db2.gz XQKUJRAFYFGJAI-INIZCTEOSA-N 2 2 323.440 3.980 20 0 DHADLP C[C@H](Cc1ccsc1)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000546017409 341151310 /nfs/dbraw/zinc/15/13/10/341151310.db2.gz JCJXISPLCPLNAV-RKVPGOIHSA-N 2 2 302.487 3.960 20 0 DHADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C(C)C)[nH+]c12 ZINC000546932904 341187191 /nfs/dbraw/zinc/18/71/91/341187191.db2.gz PWJILXFIHUVUJN-LBPRGKRZSA-N 2 2 324.266 3.582 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000076001316 341195333 /nfs/dbraw/zinc/19/53/33/341195333.db2.gz SJOBQIDIKDWJEX-OAHLLOKOSA-N 2 2 314.395 3.869 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000076001316 341195334 /nfs/dbraw/zinc/19/53/34/341195334.db2.gz SJOBQIDIKDWJEX-OAHLLOKOSA-N 2 2 314.395 3.869 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CC(F)(F)F)c2ccccc2)CC[N@@H+]1C ZINC000134142133 341207719 /nfs/dbraw/zinc/20/77/19/341207719.db2.gz UFEIYVFZKJXLGM-SNPRPXQTSA-N 2 2 300.368 3.752 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CC(F)(F)F)c2ccccc2)CC[N@H+]1C ZINC000134142133 341207720 /nfs/dbraw/zinc/20/77/20/341207720.db2.gz UFEIYVFZKJXLGM-SNPRPXQTSA-N 2 2 300.368 3.752 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000564322486 341216807 /nfs/dbraw/zinc/21/68/07/341216807.db2.gz PBTYJXRVTWXMFX-WYMLVPIESA-N 2 2 324.390 3.889 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000564322486 341216808 /nfs/dbraw/zinc/21/68/08/341216808.db2.gz PBTYJXRVTWXMFX-WYMLVPIESA-N 2 2 324.390 3.889 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000547519481 341219902 /nfs/dbraw/zinc/21/99/02/341219902.db2.gz OMNOVPWKZCRGGT-TZMCWYRMSA-N 2 2 323.362 3.989 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000547519481 341219903 /nfs/dbraw/zinc/21/99/03/341219903.db2.gz OMNOVPWKZCRGGT-TZMCWYRMSA-N 2 2 323.362 3.989 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134881430 341225818 /nfs/dbraw/zinc/22/58/18/341225818.db2.gz OKSRUQISTTXEFS-PJIJBLCYSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134881430 341225819 /nfs/dbraw/zinc/22/58/19/341225819.db2.gz OKSRUQISTTXEFS-PJIJBLCYSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134881430 341225820 /nfs/dbraw/zinc/22/58/20/341225820.db2.gz OKSRUQISTTXEFS-PJIJBLCYSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134881430 341225821 /nfs/dbraw/zinc/22/58/21/341225821.db2.gz OKSRUQISTTXEFS-PJIJBLCYSA-N 2 2 320.427 3.975 20 0 DHADLP CCCCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000136207604 341254962 /nfs/dbraw/zinc/25/49/62/341254962.db2.gz OKNQPTUNXYGBGT-SJLPKXTDSA-N 2 2 304.478 3.780 20 0 DHADLP CCCCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000136207604 341254963 /nfs/dbraw/zinc/25/49/63/341254963.db2.gz OKNQPTUNXYGBGT-SJLPKXTDSA-N 2 2 304.478 3.780 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000136207604 341254964 /nfs/dbraw/zinc/25/49/64/341254964.db2.gz OKNQPTUNXYGBGT-SJLPKXTDSA-N 2 2 304.478 3.780 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000136207604 341254965 /nfs/dbraw/zinc/25/49/65/341254965.db2.gz OKNQPTUNXYGBGT-SJLPKXTDSA-N 2 2 304.478 3.780 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CCS2 ZINC000548306098 341255215 /nfs/dbraw/zinc/25/52/15/341255215.db2.gz FXOZRXMOUGIJPA-DYVFJYSZSA-N 2 2 304.503 3.772 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CCS2 ZINC000548306098 341255216 /nfs/dbraw/zinc/25/52/16/341255216.db2.gz FXOZRXMOUGIJPA-DYVFJYSZSA-N 2 2 304.503 3.772 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccc(OC)c1 ZINC000549041025 341284525 /nfs/dbraw/zinc/28/45/25/341284525.db2.gz UMRBYZUGWPBWEA-JOCLIGHLSA-N 2 2 316.489 3.856 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245437949 341293927 /nfs/dbraw/zinc/29/39/27/341293927.db2.gz FCWKGMRJZAZUKO-CABCVRRESA-N 2 2 308.416 3.834 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245437949 341293928 /nfs/dbraw/zinc/29/39/28/341293928.db2.gz FCWKGMRJZAZUKO-CABCVRRESA-N 2 2 308.416 3.834 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2c(F)cccc2Cl)C1 ZINC000081516104 341294315 /nfs/dbraw/zinc/29/43/15/341294315.db2.gz HJDFPMFHPLSHFW-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2c(F)cccc2Cl)C1 ZINC000081516104 341294316 /nfs/dbraw/zinc/29/43/16/341294316.db2.gz HJDFPMFHPLSHFW-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000081516104 341294317 /nfs/dbraw/zinc/29/43/17/341294317.db2.gz HJDFPMFHPLSHFW-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000081516104 341294318 /nfs/dbraw/zinc/29/43/18/341294318.db2.gz HJDFPMFHPLSHFW-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245453822 341294971 /nfs/dbraw/zinc/29/49/71/341294971.db2.gz RLKLCVPRRXTJKX-CABCVRRESA-N 2 2 308.416 3.834 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245453822 341294972 /nfs/dbraw/zinc/29/49/72/341294972.db2.gz RLKLCVPRRXTJKX-CABCVRRESA-N 2 2 308.416 3.834 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)ccc2OC)C1 ZINC000081569644 341297025 /nfs/dbraw/zinc/29/70/25/341297025.db2.gz POTPBZBIZLCURJ-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)ccc2OC)C1 ZINC000081569644 341297026 /nfs/dbraw/zinc/29/70/26/341297026.db2.gz POTPBZBIZLCURJ-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000081569644 341297027 /nfs/dbraw/zinc/29/70/27/341297027.db2.gz POTPBZBIZLCURJ-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000081569644 341297028 /nfs/dbraw/zinc/29/70/28/341297028.db2.gz POTPBZBIZLCURJ-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP C[C@@H]1CC[N@H+](CCc2c(F)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000245558657 341302080 /nfs/dbraw/zinc/30/20/80/341302080.db2.gz BENJKESVYIDWQJ-CXAGYDPISA-N 2 2 321.827 3.801 20 0 DHADLP C[C@@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000245558657 341302081 /nfs/dbraw/zinc/30/20/81/341302081.db2.gz BENJKESVYIDWQJ-CXAGYDPISA-N 2 2 321.827 3.801 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245581706 341303290 /nfs/dbraw/zinc/30/32/90/341303290.db2.gz HTSWIVVQTBUCSU-YLVFBTJISA-N 2 2 310.844 3.860 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245581706 341303291 /nfs/dbraw/zinc/30/32/91/341303291.db2.gz HTSWIVVQTBUCSU-YLVFBTJISA-N 2 2 310.844 3.860 20 0 DHADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549840567 341304707 /nfs/dbraw/zinc/30/47/07/341304707.db2.gz KGZMRYWIXQTDGT-GUYCJALGSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549840567 341304708 /nfs/dbraw/zinc/30/47/08/341304708.db2.gz KGZMRYWIXQTDGT-GUYCJALGSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549840567 341304709 /nfs/dbraw/zinc/30/47/09/341304709.db2.gz KGZMRYWIXQTDGT-GUYCJALGSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000549840567 341304710 /nfs/dbraw/zinc/30/47/10/341304710.db2.gz KGZMRYWIXQTDGT-GUYCJALGSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@@H]1CC[N@H+](CCSc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245716653 341311576 /nfs/dbraw/zinc/31/15/76/341311576.db2.gz UFNKXDGDCDYMJY-RHSMWYFYSA-N 2 2 319.449 3.697 20 0 DHADLP C[C@@H]1CC[N@@H+](CCSc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245716653 341311577 /nfs/dbraw/zinc/31/15/77/341311577.db2.gz UFNKXDGDCDYMJY-RHSMWYFYSA-N 2 2 319.449 3.697 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000550796029 341323049 /nfs/dbraw/zinc/32/30/49/341323049.db2.gz RAYSXHRSUAXCBR-DFQSSKMNSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000550796029 341323050 /nfs/dbraw/zinc/32/30/50/341323050.db2.gz RAYSXHRSUAXCBR-DFQSSKMNSA-N 2 2 316.489 3.588 20 0 DHADLP CCc1ccc([C@H](C[NH2+]C2CCC(O)CC2)[NH+](CC)CC)cc1 ZINC000550844528 341324259 /nfs/dbraw/zinc/32/42/59/341324259.db2.gz QDLFIRCYBVNGIC-MHJFOBGBSA-N 2 2 318.505 3.525 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000551029478 341329550 /nfs/dbraw/zinc/32/95/50/341329550.db2.gz GJTZKMIFBWVTAP-HKUYNNGSSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000551029478 341329551 /nfs/dbraw/zinc/32/95/51/341329551.db2.gz GJTZKMIFBWVTAP-HKUYNNGSSA-N 2 2 316.395 3.890 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1COc2ccccc2C1)c1ccccc1 ZINC000551050381 341330131 /nfs/dbraw/zinc/33/01/31/341330131.db2.gz HBHZCKZEQCYOFH-APWZRJJASA-N 2 2 324.468 3.709 20 0 DHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccccc2Cl)o1 ZINC000564376175 341332342 /nfs/dbraw/zinc/33/23/42/341332342.db2.gz GPDMEJMYSGTOKF-UHFFFAOYSA-N 2 2 306.837 3.984 20 0 DHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccccc2Cl)o1 ZINC000564376175 341332343 /nfs/dbraw/zinc/33/23/43/341332343.db2.gz GPDMEJMYSGTOKF-UHFFFAOYSA-N 2 2 306.837 3.984 20 0 DHADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC[C@H](Cc3ccccc3)C1)CCCC2 ZINC000551232960 341334719 /nfs/dbraw/zinc/33/47/19/341334719.db2.gz HIIQPXLWOVYEDC-QZTJIDSGSA-N 2 2 309.457 3.720 20 0 DHADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246306232 341341141 /nfs/dbraw/zinc/34/11/41/341341141.db2.gz CXLDGRSGRQIRSC-RYUDHWBXSA-N 2 2 301.261 3.938 20 0 DHADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246306232 341341142 /nfs/dbraw/zinc/34/11/42/341341142.db2.gz CXLDGRSGRQIRSC-RYUDHWBXSA-N 2 2 301.261 3.938 20 0 DHADLP CC1(C)CC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000551778583 341351004 /nfs/dbraw/zinc/35/10/04/341351004.db2.gz KAPCQWHNXACETN-RUXDESIVSA-N 2 2 304.400 3.570 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC(C)(C)C)c1 ZINC000246934740 341358778 /nfs/dbraw/zinc/35/87/78/341358778.db2.gz GQSMJBCVEVQTOL-DOTOQJQBSA-N 2 2 304.478 3.745 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC(C)(C)C)c1 ZINC000246934740 341358779 /nfs/dbraw/zinc/35/87/79/341358779.db2.gz GQSMJBCVEVQTOL-DOTOQJQBSA-N 2 2 304.478 3.745 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(OC(C)(C)C)c1 ZINC000246934758 341358796 /nfs/dbraw/zinc/35/87/96/341358796.db2.gz GQSMJBCVEVQTOL-RDJZCZTQSA-N 2 2 304.478 3.745 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC(C)(C)C)c1 ZINC000246934758 341358797 /nfs/dbraw/zinc/35/87/97/341358797.db2.gz GQSMJBCVEVQTOL-RDJZCZTQSA-N 2 2 304.478 3.745 20 0 DHADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247311251 341363190 /nfs/dbraw/zinc/36/31/90/341363190.db2.gz FTBFATIFFUVCTC-XJKSGUPXSA-N 2 2 319.836 3.628 20 0 DHADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247311251 341363191 /nfs/dbraw/zinc/36/31/91/341363191.db2.gz FTBFATIFFUVCTC-XJKSGUPXSA-N 2 2 319.836 3.628 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2CCF)[NH+](C)C)cc1 ZINC000552050714 341365087 /nfs/dbraw/zinc/36/50/87/341365087.db2.gz PSMLMBCVKROZRW-UHOSZYNNSA-N 2 2 306.469 3.970 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247940760 341371242 /nfs/dbraw/zinc/37/12/42/341371242.db2.gz CZSMDMKQYFICMM-GOEBONIOSA-N 2 2 312.379 3.622 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247940760 341371243 /nfs/dbraw/zinc/37/12/43/341371243.db2.gz CZSMDMKQYFICMM-GOEBONIOSA-N 2 2 312.379 3.622 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247940760 341371244 /nfs/dbraw/zinc/37/12/44/341371244.db2.gz CZSMDMKQYFICMM-GOEBONIOSA-N 2 2 312.379 3.622 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247940760 341371245 /nfs/dbraw/zinc/37/12/45/341371245.db2.gz CZSMDMKQYFICMM-GOEBONIOSA-N 2 2 312.379 3.622 20 0 DHADLP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000248179327 341374460 /nfs/dbraw/zinc/37/44/60/341374460.db2.gz WDNAHECWMMTSSA-RCCFBDPRSA-N 2 2 318.505 3.911 20 0 DHADLP CCc1ccc([C@H](C[NH2+]C[C@H]2CCSC2)[NH+](CC)CC)cc1 ZINC000552278043 341383494 /nfs/dbraw/zinc/38/34/94/341383494.db2.gz RPRKMACRPGTONK-MJGOQNOKSA-N 2 2 320.546 3.975 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000554859724 341466899 /nfs/dbraw/zinc/46/68/99/341466899.db2.gz SDVRLDNPPVQCTF-QINHECLXSA-N 2 2 310.441 3.865 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000554859723 341466914 /nfs/dbraw/zinc/46/69/14/341466914.db2.gz SDVRLDNPPVQCTF-JXXFODFXSA-N 2 2 310.441 3.865 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)n1C ZINC000566748900 341567096 /nfs/dbraw/zinc/56/70/96/341567096.db2.gz OWBZEZFPIMXEMQ-GDBMZVCRSA-N 2 2 303.837 3.808 20 0 DHADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000568776281 341681261 /nfs/dbraw/zinc/68/12/61/341681261.db2.gz WBOSLYKPQAVDQL-RBUKOAKNSA-N 2 2 309.457 3.954 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)c2ccccc21 ZINC000573197601 341720567 /nfs/dbraw/zinc/72/05/67/341720567.db2.gz LOFFOPDXQOOPCP-RBUKOAKNSA-N 2 2 323.440 3.637 20 0 DHADLP CC1CC[NH+](CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000577661490 341928072 /nfs/dbraw/zinc/92/80/72/341928072.db2.gz MRDHJLDOBUXXML-UHFFFAOYSA-N 2 2 308.416 3.532 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H](C)[C@@H]3Oc4ccccc4[C@@H]3C)c[nH+]c12 ZINC000530974057 518191141 /nfs/dbraw/zinc/19/11/41/518191141.db2.gz FCEGAXYIGUQKDT-QMTMVMCOSA-N 2 2 321.424 3.686 20 0 DHADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccccc1F ZINC000267355254 519653718 /nfs/dbraw/zinc/65/37/18/519653718.db2.gz GWUOVYDDSWASTO-UHFFFAOYSA-N 2 2 324.403 3.817 20 0 DHADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccccc1F ZINC000267355254 519653722 /nfs/dbraw/zinc/65/37/22/519653722.db2.gz GWUOVYDDSWASTO-UHFFFAOYSA-N 2 2 324.403 3.817 20 0 DHADLP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccsc3)CC2)CS1 ZINC000364857071 519827701 /nfs/dbraw/zinc/82/77/01/519827701.db2.gz JPDPJSXEFDULFM-DLBZAZTESA-N 2 2 324.559 3.832 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCCN1c1cc[nH+]c(C(C)C)n1 ZINC000364829405 519880222 /nfs/dbraw/zinc/88/02/22/519880222.db2.gz YWTPGNHLTHJWOZ-OAHLLOKOSA-N 2 2 313.449 3.589 20 0 DHADLP CCCOc1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)c(C)c1 ZINC000188795293 520368892 /nfs/dbraw/zinc/36/88/92/520368892.db2.gz XWRWMHSZICOBNK-UHFFFAOYSA-N 2 2 309.413 3.721 20 0 DHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cccc(O)c2Cl)cc1F ZINC000339333529 521906385 /nfs/dbraw/zinc/90/63/85/521906385.db2.gz XNVPCCDAXMOUFU-UHFFFAOYSA-N 2 2 322.811 3.536 20 0 DHADLP CCc1c[nH+]ccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000265208165 522083404 /nfs/dbraw/zinc/08/34/04/522083404.db2.gz LHCYBTOMGZBSGY-UHFFFAOYSA-N 2 2 323.440 3.882 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@@H](C)COC(C)C)ccc2n1C1CC1 ZINC000338436086 522482636 /nfs/dbraw/zinc/48/26/36/522482636.db2.gz GXVLFLISIDOSSY-AWEZNQCLSA-N 2 2 315.461 3.837 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C)o1 ZINC000156370215 522728969 /nfs/dbraw/zinc/72/89/69/522728969.db2.gz BFDOEDKSBCPLGY-SFHVURJKSA-N 2 2 320.477 3.662 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1OC ZINC000363828968 522888040 /nfs/dbraw/zinc/88/80/40/522888040.db2.gz QWXRXOYHYUUVDN-QGZVFWFLSA-N 2 2 322.412 3.517 20 0 DHADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2csc(Cl)c2)CC1 ZINC000191256106 523303165 /nfs/dbraw/zinc/30/31/65/523303165.db2.gz VDXPOTSYBSYJNO-GFCCVEGCSA-N 2 2 316.898 3.553 20 0 DHADLP CC[C@@](C)([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1nc(C)cs1 ZINC000157133972 523659407 /nfs/dbraw/zinc/65/94/07/523659407.db2.gz LLPPWPFUJUSBFE-QGZVFWFLSA-N 2 2 314.458 3.823 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCSC2)[C@H]1c1cccc(Cl)c1 ZINC000364853924 523980886 /nfs/dbraw/zinc/98/08/86/523980886.db2.gz SXSMNEODXPCXTM-FRFSOERESA-N 2 2 324.921 3.676 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCSC2)[C@H]1c1cccc(Cl)c1 ZINC000364853924 523980887 /nfs/dbraw/zinc/98/08/87/523980887.db2.gz SXSMNEODXPCXTM-FRFSOERESA-N 2 2 324.921 3.676 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156428554 524290045 /nfs/dbraw/zinc/29/00/45/524290045.db2.gz AJBPHXJWBCFBTN-KXBFYZLASA-N 2 2 322.412 3.621 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156428554 524290050 /nfs/dbraw/zinc/29/00/50/524290050.db2.gz AJBPHXJWBCFBTN-KXBFYZLASA-N 2 2 322.412 3.621 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C[C@@H]1n1cc[nH+]c1 ZINC000156554128 524294979 /nfs/dbraw/zinc/29/49/79/524294979.db2.gz AJLFVGHKSJVIMO-KSSFIOAISA-N 2 2 324.403 3.654 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ccc(F)c3cccnc23)C[C@@H]1n1cc[nH+]c1 ZINC000156554128 524294984 /nfs/dbraw/zinc/29/49/84/524294984.db2.gz AJLFVGHKSJVIMO-KSSFIOAISA-N 2 2 324.403 3.654 20 0 DHADLP C[C@H](C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000267390888 524295302 /nfs/dbraw/zinc/29/53/02/524295302.db2.gz OPKJHZBOGQMWJN-MRXNPFEDSA-N 2 2 306.413 3.503 20 0 DHADLP C[C@H](C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000267390888 524295311 /nfs/dbraw/zinc/29/53/11/524295311.db2.gz OPKJHZBOGQMWJN-MRXNPFEDSA-N 2 2 306.413 3.503 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000188026694 524316505 /nfs/dbraw/zinc/31/65/05/524316505.db2.gz OXIPPADVGOEHHB-IAGOWNOFSA-N 2 2 301.478 3.604 20 0 DHADLP Cc1ccc(CCC[NH2+]CCc2nc3c(cccc3C)o2)c[nH+]1 ZINC000337129339 524320456 /nfs/dbraw/zinc/32/04/56/524320456.db2.gz ILFISWIETNKWFS-UHFFFAOYSA-N 2 2 309.413 3.605 20 0 DHADLP COc1ccccc1C(C)(C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000156467149 524368181 /nfs/dbraw/zinc/36/81/81/524368181.db2.gz XZNOZXJQKKTVQS-UHFFFAOYSA-N 2 2 309.413 3.676 20 0 DHADLP COc1ccccc1[C@@H](CNc1cccc(C)[nH+]1)[NH+]1CCCC1 ZINC000156924673 524735611 /nfs/dbraw/zinc/73/56/11/524735611.db2.gz MRKOQWMTLXHNEP-QGZVFWFLSA-N 2 2 311.429 3.648 20 0 DHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000158679607 525137572 /nfs/dbraw/zinc/13/75/72/525137572.db2.gz PRZBKIDAOYNDGG-KRWDZBQOSA-N 2 2 309.457 3.705 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000366038932 525347822 /nfs/dbraw/zinc/34/78/22/525347822.db2.gz NKJJYAOEMVABEZ-RWMBFGLXSA-N 2 2 309.866 3.770 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccn1 ZINC000158894339 525386598 /nfs/dbraw/zinc/38/65/98/525386598.db2.gz MGBGEMMGLWOBLD-HOTGVXAUSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccn1 ZINC000158894339 525386607 /nfs/dbraw/zinc/38/66/07/525386607.db2.gz MGBGEMMGLWOBLD-HOTGVXAUSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccn1 ZINC000158894485 525479734 /nfs/dbraw/zinc/47/97/34/525479734.db2.gz MGBGEMMGLWOBLD-CVEARBPZSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccn1 ZINC000158894485 525479739 /nfs/dbraw/zinc/47/97/39/525479739.db2.gz MGBGEMMGLWOBLD-CVEARBPZSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccn1 ZINC000158894764 525501298 /nfs/dbraw/zinc/50/12/98/525501298.db2.gz MGBGEMMGLWOBLD-HZPDHXFCSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccn1 ZINC000158894764 525501310 /nfs/dbraw/zinc/50/13/10/525501310.db2.gz MGBGEMMGLWOBLD-HZPDHXFCSA-N 2 2 315.486 3.706 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000162853652 525587583 /nfs/dbraw/zinc/58/75/83/525587583.db2.gz GYUXRXIKFCCBQQ-GOSISDBHSA-N 2 2 311.429 3.559 20 0 DHADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccccc2o1 ZINC000182070315 525625258 /nfs/dbraw/zinc/62/52/58/525625258.db2.gz OJSKDTLEHANYME-CJNGLKHVSA-N 2 2 303.450 3.845 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2ccncc2)[NH+]2CCCC2)cc1 ZINC000156541250 525960235 /nfs/dbraw/zinc/96/02/35/525960235.db2.gz HBNIINFXACOGPA-XLIONFOSSA-N 2 2 309.457 3.878 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1ccncc1F ZINC000338372292 526075487 /nfs/dbraw/zinc/07/54/87/526075487.db2.gz UJCROFRGNANOCX-AWEZNQCLSA-N 2 2 310.376 3.566 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000189179925 526153408 /nfs/dbraw/zinc/15/34/08/526153408.db2.gz VSKRJDJMZUKGQN-LPHOPBHVSA-N 2 2 313.489 3.919 20 0 DHADLP C[C@@H]1CC(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC000338476587 526225788 /nfs/dbraw/zinc/22/57/88/526225788.db2.gz GBSBRIVXIMJYSL-HZPDHXFCSA-N 2 2 313.445 3.556 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCS2 ZINC000366429637 526372684 /nfs/dbraw/zinc/37/26/84/526372684.db2.gz GVHFKSZTPJLICS-DQPZFDDXSA-N 2 2 320.477 3.969 20 0 DHADLP c1c[nH]c([C@H]2CCC[NH+]2CCC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000157594450 526409180 /nfs/dbraw/zinc/40/91/80/526409180.db2.gz VOBDHBDYXQOZBR-RTBURBONSA-N 2 2 312.461 3.707 20 0 DHADLP c1c[nH]c([C@H]2CCC[NH+]2CCC[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000157594450 526409184 /nfs/dbraw/zinc/40/91/84/526409184.db2.gz VOBDHBDYXQOZBR-RTBURBONSA-N 2 2 312.461 3.707 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)cc2)c[nH+]1 ZINC000102845404 526524569 /nfs/dbraw/zinc/52/45/69/526524569.db2.gz CMBAUPYNKJVYPU-LJQANCHMSA-N 2 2 318.424 3.559 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](Nc4ccccc4)C3)cc2)c[nH+]1 ZINC000102845404 526524574 /nfs/dbraw/zinc/52/45/74/526524574.db2.gz CMBAUPYNKJVYPU-LJQANCHMSA-N 2 2 318.424 3.559 20 0 DHADLP c1cn(C2CC[NH+](CCCCCOc3ccccc3)CC2)c[nH+]1 ZINC000189827039 526529902 /nfs/dbraw/zinc/52/99/02/526529902.db2.gz OLZMLWXQPTWVRB-UHFFFAOYSA-N 2 2 313.445 3.769 20 0 DHADLP c1csc(C[NH+](CCn2cc[nH+]c2)Cc2cccs2)c1 ZINC000161913494 526579327 /nfs/dbraw/zinc/57/93/27/526579327.db2.gz RXWSVPIPCARRNS-UHFFFAOYSA-N 2 2 303.456 3.709 20 0 DHADLP Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000189751672 527052114 /nfs/dbraw/zinc/05/21/14/527052114.db2.gz QDMLBRJZXXALCW-SFHVURJKSA-N 2 2 324.453 3.974 20 0 DHADLP Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000189751672 527052119 /nfs/dbraw/zinc/05/21/19/527052119.db2.gz QDMLBRJZXXALCW-SFHVURJKSA-N 2 2 324.453 3.974 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000155895353 527167362 /nfs/dbraw/zinc/16/73/62/527167362.db2.gz OLQDNEUJCQSGSV-CYBMUJFWSA-N 2 2 312.392 3.620 20 0 DHADLP O=C(C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)c1cccs1 ZINC000161908720 527168054 /nfs/dbraw/zinc/16/80/54/527168054.db2.gz WSTIGJBWDFDXRS-MRXNPFEDSA-N 2 2 320.502 3.661 20 0 DHADLP O=C(C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)c1cccs1 ZINC000161908720 527168059 /nfs/dbraw/zinc/16/80/59/527168059.db2.gz WSTIGJBWDFDXRS-MRXNPFEDSA-N 2 2 320.502 3.661 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cccnc1Cl ZINC000162237307 527169726 /nfs/dbraw/zinc/16/97/26/527169726.db2.gz OGTJKVXMDFXCHG-GFCCVEGCSA-N 2 2 314.820 3.744 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCC(C)(C)C3)[C@H](C)C2)s1 ZINC000363838510 527260364 /nfs/dbraw/zinc/26/03/64/527260364.db2.gz RJFMVJZICMECDR-KMFMINBZSA-N 2 2 321.534 3.830 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCC(C)(C)C3)[C@H](C)C2)s1 ZINC000363838510 527260369 /nfs/dbraw/zinc/26/03/69/527260369.db2.gz RJFMVJZICMECDR-KMFMINBZSA-N 2 2 321.534 3.830 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000367701041 527471425 /nfs/dbraw/zinc/47/14/25/527471425.db2.gz JWCQOTVCWDFDDJ-AWEZNQCLSA-N 2 2 316.474 3.524 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000367701041 527471430 /nfs/dbraw/zinc/47/14/30/527471430.db2.gz JWCQOTVCWDFDDJ-AWEZNQCLSA-N 2 2 316.474 3.524 20 0 DHADLP CCCCCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1OC ZINC000340197980 535093944 /nfs/dbraw/zinc/09/39/44/535093944.db2.gz XYLOAKLXMOCUIL-AWEZNQCLSA-N 2 2 317.433 3.838 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1OC(F)(F)F ZINC000340661615 536346374 /nfs/dbraw/zinc/34/63/74/536346374.db2.gz VKGLGCALMCUPLJ-UHFFFAOYSA-N 2 2 316.367 3.503 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1OC(F)(F)F ZINC000340661615 536346375 /nfs/dbraw/zinc/34/63/75/536346375.db2.gz VKGLGCALMCUPLJ-UHFFFAOYSA-N 2 2 316.367 3.503 20 0 DHADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000251483666 563910659 /nfs/dbraw/zinc/91/06/59/563910659.db2.gz DSEKTZPDFWCQFA-IAGOWNOFSA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000251483666 563910660 /nfs/dbraw/zinc/91/06/60/563910660.db2.gz DSEKTZPDFWCQFA-IAGOWNOFSA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000251483666 563910661 /nfs/dbraw/zinc/91/06/61/563910661.db2.gz DSEKTZPDFWCQFA-IAGOWNOFSA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000251483666 563910662 /nfs/dbraw/zinc/91/06/62/563910662.db2.gz DSEKTZPDFWCQFA-IAGOWNOFSA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]c1C ZINC001164622636 719071753 /nfs/dbraw/zinc/07/17/53/719071753.db2.gz INWNYYQGXMMDAO-VQTJNVASSA-N 2 2 321.468 3.799 20 0 DHADLP Cc1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]c1C ZINC001164622636 719071758 /nfs/dbraw/zinc/07/17/58/719071758.db2.gz INWNYYQGXMMDAO-VQTJNVASSA-N 2 2 321.468 3.799 20 0 DHADLP COc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000361689180 1032057500 /nfs/dbraw/zinc/05/75/00/1032057500.db2.gz HNVURIDNTLENJV-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP COc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000361689180 1032057520 /nfs/dbraw/zinc/05/75/20/1032057520.db2.gz HNVURIDNTLENJV-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccncc1F ZINC000340487658 1013161062 /nfs/dbraw/zinc/16/10/62/1013161062.db2.gz LJLPOWISSKDBFH-UONOGXRCSA-N 2 2 310.376 3.818 20 0 DHADLP Fc1ccccc1C1CC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000519073043 1013272322 /nfs/dbraw/zinc/27/23/22/1013272322.db2.gz GDWNRZPJEXSZKA-DQPZFDDXSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccccc1C1CC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000519073043 1013272329 /nfs/dbraw/zinc/27/23/29/1013272329.db2.gz GDWNRZPJEXSZKA-DQPZFDDXSA-N 2 2 302.437 3.678 20 0 DHADLP C[C@@H](Cc1ccsc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000558425755 1013290392 /nfs/dbraw/zinc/29/03/92/1013290392.db2.gz CPMIDVVJZKMCLD-HNNXBMFYSA-N 2 2 311.454 3.714 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@H](c3cccnc3)C3CC3)cc2)c[nH+]1 ZINC000340109047 1013307322 /nfs/dbraw/zinc/30/73/22/1013307322.db2.gz OKPBXSBMCLIFAI-IBGZPJMESA-N 2 2 304.397 3.508 20 0 DHADLP COc1c(Cl)cccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001140062596 1013354998 /nfs/dbraw/zinc/35/49/98/1013354998.db2.gz DMOYEQZKWPEWPI-UHFFFAOYSA-N 2 2 310.869 3.653 20 0 DHADLP COc1c(Cl)cccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001140062596 1013355010 /nfs/dbraw/zinc/35/50/10/1013355010.db2.gz DMOYEQZKWPEWPI-UHFFFAOYSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000894472157 1013378477 /nfs/dbraw/zinc/37/84/77/1013378477.db2.gz QBHZGKGKOBNLBY-UHFFFAOYSA-N 2 2 317.433 3.567 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c2ccccc21 ZINC000340357487 1013516963 /nfs/dbraw/zinc/51/69/63/1013516963.db2.gz YCLWIXWDWBSGDB-ZIAGYGMSSA-N 2 2 309.388 3.841 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000237580376 1013536557 /nfs/dbraw/zinc/53/65/57/1013536557.db2.gz YDMAWFUJVSUKCJ-QGZVFWFLSA-N 2 2 305.425 3.976 20 0 DHADLP Cc1c(Cl)c(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)nc2ccccc12 ZINC000129106239 1013550150 /nfs/dbraw/zinc/55/01/50/1013550150.db2.gz KFNKCZFRUFNLQR-AAEUAGOBSA-N 2 2 303.837 3.508 20 0 DHADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)nc2ccccc12 ZINC000129106239 1013550154 /nfs/dbraw/zinc/55/01/54/1013550154.db2.gz KFNKCZFRUFNLQR-AAEUAGOBSA-N 2 2 303.837 3.508 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1 ZINC000655683567 1013640079 /nfs/dbraw/zinc/64/00/79/1013640079.db2.gz HNQXDYRGNSUMNQ-HRAATJIYSA-N 2 2 324.468 3.744 20 0 DHADLP CC(C)(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655688310 1013640499 /nfs/dbraw/zinc/64/04/99/1013640499.db2.gz WQNRLBAEEGOBOK-RTBURBONSA-N 2 2 316.489 3.617 20 0 DHADLP Cc1cc(N2CCC(C)([NH+]3CCCC3)CC2)nc(C2CCC2)[nH+]1 ZINC000894901808 1013685430 /nfs/dbraw/zinc/68/54/30/1013685430.db2.gz CBCHNUFCJQHEQK-UHFFFAOYSA-N 2 2 314.477 3.507 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848422 1013774004 /nfs/dbraw/zinc/77/40/04/1013774004.db2.gz IYRBMAUWMYDJPL-SZMVWBNQSA-N 2 2 302.462 3.671 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848422 1013774007 /nfs/dbraw/zinc/77/40/07/1013774007.db2.gz IYRBMAUWMYDJPL-SZMVWBNQSA-N 2 2 302.462 3.671 20 0 DHADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000655858049 1013788017 /nfs/dbraw/zinc/78/80/17/1013788017.db2.gz WNAWEHNSWFLYSZ-PUWFUPIHSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000655858049 1013788024 /nfs/dbraw/zinc/78/80/24/1013788024.db2.gz WNAWEHNSWFLYSZ-PUWFUPIHSA-N 2 2 306.400 3.585 20 0 DHADLP COC1(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)CCC1 ZINC000340442502 1013795832 /nfs/dbraw/zinc/79/58/32/1013795832.db2.gz XOXZIYPZZJSDNT-HKUYNNGSSA-N 2 2 316.489 3.588 20 0 DHADLP COC1(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)CCC1 ZINC000340442502 1013795838 /nfs/dbraw/zinc/79/58/38/1013795838.db2.gz XOXZIYPZZJSDNT-HKUYNNGSSA-N 2 2 316.489 3.588 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000070149814 1013798088 /nfs/dbraw/zinc/79/80/88/1013798088.db2.gz ZGKJQRBRSQRCOI-AWEZNQCLSA-N 2 2 307.488 3.575 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccsc2)n1 ZINC000070149814 1013798094 /nfs/dbraw/zinc/79/80/94/1013798094.db2.gz ZGKJQRBRSQRCOI-AWEZNQCLSA-N 2 2 307.488 3.575 20 0 DHADLP COc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)c1 ZINC000374401057 1013862496 /nfs/dbraw/zinc/86/24/96/1013862496.db2.gz BPDRIPATKFRSJT-KRWDZBQOSA-N 2 2 313.445 3.852 20 0 DHADLP COc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)c1 ZINC000374401057 1013862509 /nfs/dbraw/zinc/86/25/09/1013862509.db2.gz BPDRIPATKFRSJT-KRWDZBQOSA-N 2 2 313.445 3.852 20 0 DHADLP C[C@H]([NH2+][C@@H](C)c1ccncc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000340487656 1013875996 /nfs/dbraw/zinc/87/59/96/1013875996.db2.gz LJLPOWISSKDBFH-KBPBESRZSA-N 2 2 310.376 3.818 20 0 DHADLP C[N@H+](CCC[NH2+][C@@H]1CCCc2cccnc21)Cc1ccccc1 ZINC000303218694 1014038573 /nfs/dbraw/zinc/03/85/73/1014038573.db2.gz RQTXNRIHXQOSET-LJQANCHMSA-N 2 2 309.457 3.571 20 0 DHADLP C[N@@H+](CCC[NH2+][C@@H]1CCCc2cccnc21)Cc1ccccc1 ZINC000303218694 1014038577 /nfs/dbraw/zinc/03/85/77/1014038577.db2.gz RQTXNRIHXQOSET-LJQANCHMSA-N 2 2 309.457 3.571 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]Cc2cc3ccccc3[nH]2)c[nH+]1 ZINC000683928096 1014118130 /nfs/dbraw/zinc/11/81/30/1014118130.db2.gz UWJXRAQDYMMEPA-UHFFFAOYSA-N 2 2 316.408 3.703 20 0 DHADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000580431851 1014131441 /nfs/dbraw/zinc/13/14/41/1014131441.db2.gz MLLRGKGDRFUFBU-ZDUSSCGKSA-N 2 2 321.465 3.988 20 0 DHADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1OC(F)F ZINC000349342042 1014294119 /nfs/dbraw/zinc/29/41/19/1014294119.db2.gz CVVTWNOSROZFLD-UHFFFAOYSA-N 2 2 312.404 3.596 20 0 DHADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1OC(F)F ZINC000349342042 1014294124 /nfs/dbraw/zinc/29/41/24/1014294124.db2.gz CVVTWNOSROZFLD-UHFFFAOYSA-N 2 2 312.404 3.596 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000361764774 1032090481 /nfs/dbraw/zinc/09/04/81/1032090481.db2.gz IRKJRJDLQANUPQ-FQEVSTJZSA-N 2 2 318.424 3.817 20 0 DHADLP Cc1ccc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cn1 ZINC000361769132 1032091207 /nfs/dbraw/zinc/09/12/07/1032091207.db2.gz SILNZZKMVYHWHA-UHFFFAOYSA-N 2 2 320.440 3.909 20 0 DHADLP C[N@H+](Cc1ccc(C(F)(F)F)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000580860618 1014410808 /nfs/dbraw/zinc/41/08/08/1014410808.db2.gz JJHVHZOEXKKMBJ-FOSCPWQOSA-N 2 2 318.408 3.824 20 0 DHADLP C[N@@H+](Cc1ccc(C(F)(F)F)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000580860618 1014410812 /nfs/dbraw/zinc/41/08/12/1014410812.db2.gz JJHVHZOEXKKMBJ-FOSCPWQOSA-N 2 2 318.408 3.824 20 0 DHADLP C[NH+](Cc1ccc(C(F)(F)F)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580860618 1014410820 /nfs/dbraw/zinc/41/08/20/1014410820.db2.gz JJHVHZOEXKKMBJ-FOSCPWQOSA-N 2 2 318.408 3.824 20 0 DHADLP C[NH+](Cc1ccc(C(F)(F)F)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000580860618 1014410827 /nfs/dbraw/zinc/41/08/27/1014410827.db2.gz JJHVHZOEXKKMBJ-FOSCPWQOSA-N 2 2 318.408 3.824 20 0 DHADLP C[C@H](C1CCSCC1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895112155 1014441817 /nfs/dbraw/zinc/44/18/17/1014441817.db2.gz MUVVTQWARYPAJT-DJIMGWMZSA-N 2 2 319.518 3.690 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccncc2)cc1 ZINC000427838561 1014538163 /nfs/dbraw/zinc/53/81/63/1014538163.db2.gz BSJANAVAAJYUEG-DNVCBOLYSA-N 2 2 318.424 3.611 20 0 DHADLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000427866779 1014544562 /nfs/dbraw/zinc/54/45/62/1014544562.db2.gz MIJKSUYRJAOWCW-CVEARBPZSA-N 2 2 303.837 3.982 20 0 DHADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2ccccc2o1 ZINC000427881810 1014548184 /nfs/dbraw/zinc/54/81/84/1014548184.db2.gz JRJLLJPNSRVHLU-HNAYVOBHSA-N 2 2 309.413 3.931 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000665256688 1014582229 /nfs/dbraw/zinc/58/22/29/1014582229.db2.gz JJJOKXCIKGHWTP-DAXOMENPSA-N 2 2 304.434 3.684 20 0 DHADLP CCc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000428233169 1014592938 /nfs/dbraw/zinc/59/29/38/1014592938.db2.gz QVLZHTIDRWPWFQ-WBVHZDCISA-N 2 2 319.493 3.632 20 0 DHADLP CCc1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000428233169 1014592939 /nfs/dbraw/zinc/59/29/39/1014592939.db2.gz QVLZHTIDRWPWFQ-WBVHZDCISA-N 2 2 319.493 3.632 20 0 DHADLP CCc1nc(C)c(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000428233169 1014592946 /nfs/dbraw/zinc/59/29/46/1014592946.db2.gz QVLZHTIDRWPWFQ-WBVHZDCISA-N 2 2 319.493 3.632 20 0 DHADLP CCc1nc(C)c(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000428233169 1014592954 /nfs/dbraw/zinc/59/29/54/1014592954.db2.gz QVLZHTIDRWPWFQ-WBVHZDCISA-N 2 2 319.493 3.632 20 0 DHADLP C[C@@H](CC[NH2+][C@@H]1CCc2c1nccc2Cl)[NH+]1CCCCC1 ZINC000926144425 1014781910 /nfs/dbraw/zinc/78/19/10/1014781910.db2.gz PULILXSJOOCDBH-XJKSGUPXSA-N 2 2 307.869 3.576 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(F)cccc1N1CCCC1 ZINC000349409660 1014805236 /nfs/dbraw/zinc/80/52/36/1014805236.db2.gz SOJWMSVIVPQSIM-UHFFFAOYSA-N 2 2 321.484 3.590 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(F)cccc1N1CCCC1 ZINC000349409660 1014805248 /nfs/dbraw/zinc/80/52/48/1014805248.db2.gz SOJWMSVIVPQSIM-UHFFFAOYSA-N 2 2 321.484 3.590 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000191051313 1014821437 /nfs/dbraw/zinc/82/14/37/1014821437.db2.gz XHPSFZNSBNLSML-UHFFFAOYSA-N 2 2 300.368 3.540 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C ZINC000341142969 1014928126 /nfs/dbraw/zinc/92/81/26/1014928126.db2.gz UOVPJMVUVBIBQL-SUMWQHHRSA-N 2 2 322.880 3.580 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C ZINC000341142969 1014928129 /nfs/dbraw/zinc/92/81/29/1014928129.db2.gz UOVPJMVUVBIBQL-SUMWQHHRSA-N 2 2 322.880 3.580 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C ZINC000341142969 1014928137 /nfs/dbraw/zinc/92/81/37/1014928137.db2.gz UOVPJMVUVBIBQL-SUMWQHHRSA-N 2 2 322.880 3.580 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc3c2OCC3)C[C@@H]1C ZINC000341142969 1014928143 /nfs/dbraw/zinc/92/81/43/1014928143.db2.gz UOVPJMVUVBIBQL-SUMWQHHRSA-N 2 2 322.880 3.580 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000558788496 1015014464 /nfs/dbraw/zinc/01/44/64/1015014464.db2.gz NMAIMWPYCJSKLU-GYSYKLTISA-N 2 2 301.261 3.812 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000558788496 1015014474 /nfs/dbraw/zinc/01/44/74/1015014474.db2.gz NMAIMWPYCJSKLU-GYSYKLTISA-N 2 2 301.261 3.812 20 0 DHADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000656789924 1015159648 /nfs/dbraw/zinc/15/96/48/1015159648.db2.gz DJHPSCNEORLIRF-FSPWUOQZSA-N 2 2 318.461 3.554 20 0 DHADLP CCc1ccc(C[C@@H](C)[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001173244997 1033616162 /nfs/dbraw/zinc/61/61/62/1033616162.db2.gz FWWSJGBNIYIFIN-QGZVFWFLSA-N 2 2 302.506 3.985 20 0 DHADLP CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000684377896 1015205743 /nfs/dbraw/zinc/20/57/43/1015205743.db2.gz GLPGDWJMVJNFNQ-RYQLBKOJSA-N 2 2 304.478 3.663 20 0 DHADLP CCc1ccc(C[C@@H](C)[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001173244997 1033616176 /nfs/dbraw/zinc/61/61/76/1033616176.db2.gz FWWSJGBNIYIFIN-QGZVFWFLSA-N 2 2 302.506 3.985 20 0 DHADLP Cc1ccncc1CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895705745 1015265003 /nfs/dbraw/zinc/26/50/03/1015265003.db2.gz FPTFQYUCXVLETD-HXUWFJFHSA-N 2 2 320.440 3.550 20 0 DHADLP CSC(C)(C)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895706863 1015266723 /nfs/dbraw/zinc/26/67/23/1015266723.db2.gz OBVHPUZBUZAWOA-MRXNPFEDSA-N 2 2 303.475 3.746 20 0 DHADLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc(C)c1O ZINC000895706455 1015267739 /nfs/dbraw/zinc/26/77/39/1015267739.db2.gz LBLMFGLDXBKZNP-IBGZPJMESA-N 2 2 321.424 3.737 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000474468459 1015382786 /nfs/dbraw/zinc/38/27/86/1015382786.db2.gz AVIHTGFWEIASSG-BBWFWOEESA-N 2 2 304.478 3.651 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000474468459 1015382798 /nfs/dbraw/zinc/38/27/98/1015382798.db2.gz AVIHTGFWEIASSG-BBWFWOEESA-N 2 2 304.478 3.651 20 0 DHADLP CCCSC[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000896036016 1015419519 /nfs/dbraw/zinc/41/95/19/1015419519.db2.gz ZGBDAWIUBKRQRA-WBVHZDCISA-N 2 2 303.475 3.746 20 0 DHADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261568014 1015467001 /nfs/dbraw/zinc/46/70/01/1015467001.db2.gz JHAFTPHLUXMIMQ-NEPJUHHUSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261568014 1015467007 /nfs/dbraw/zinc/46/70/07/1015467007.db2.gz JHAFTPHLUXMIMQ-NEPJUHHUSA-N 2 2 301.261 3.986 20 0 DHADLP c1ccc(NC2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)[nH+]c1 ZINC000896196156 1015497790 /nfs/dbraw/zinc/49/77/90/1015497790.db2.gz YMIYYWPODLIDJR-INIZCTEOSA-N 2 2 323.440 3.524 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000131187656 1015637593 /nfs/dbraw/zinc/63/75/93/1015637593.db2.gz CGNKHJWIWIDAKC-INIZCTEOSA-N 2 2 301.478 3.919 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474927938 1015708531 /nfs/dbraw/zinc/70/85/31/1015708531.db2.gz SCZICKOAEKGPGQ-FVCCEPFGSA-N 2 2 321.877 3.695 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)c1cccnc1 ZINC000896720981 1015714798 /nfs/dbraw/zinc/71/47/98/1015714798.db2.gz KOZIBCGJWOZHPY-YESZJQIVSA-N 2 2 321.534 3.584 20 0 DHADLP Fc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1Cl ZINC000535804058 1015835081 /nfs/dbraw/zinc/83/50/81/1015835081.db2.gz NUIQWSCFUJHPIQ-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1Cl ZINC000535804058 1015835086 /nfs/dbraw/zinc/83/50/86/1015835086.db2.gz NUIQWSCFUJHPIQ-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1Cl ZINC000535804058 1015835089 /nfs/dbraw/zinc/83/50/89/1015835089.db2.gz NUIQWSCFUJHPIQ-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1Cl ZINC000535804058 1015835094 /nfs/dbraw/zinc/83/50/94/1015835094.db2.gz NUIQWSCFUJHPIQ-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000277112038 1015876583 /nfs/dbraw/zinc/87/65/83/1015876583.db2.gz HEHCHUUDCHYTSW-OAHLLOKOSA-N 2 2 300.368 3.622 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000277112038 1015876586 /nfs/dbraw/zinc/87/65/86/1015876586.db2.gz HEHCHUUDCHYTSW-OAHLLOKOSA-N 2 2 300.368 3.622 20 0 DHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000151036493 1016016186 /nfs/dbraw/zinc/01/61/86/1016016186.db2.gz HJXSMLVEEFCZIY-TZMCWYRMSA-N 2 2 319.836 3.519 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151326973 1016035557 /nfs/dbraw/zinc/03/55/57/1016035557.db2.gz SDEJBNBDLQPMFM-INIZCTEOSA-N 2 2 321.424 3.791 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000151352184 1016037425 /nfs/dbraw/zinc/03/74/25/1016037425.db2.gz GYSRQSKSLJDSTK-OAHLLOKOSA-N 2 2 309.388 3.921 20 0 DHADLP Fc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1C(F)F ZINC000892098469 1016218053 /nfs/dbraw/zinc/21/80/53/1016218053.db2.gz DTLKUYUGQNITCQ-AWEZNQCLSA-N 2 2 312.379 3.681 20 0 DHADLP Fc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1C(F)F ZINC000892098469 1016218057 /nfs/dbraw/zinc/21/80/57/1016218057.db2.gz DTLKUYUGQNITCQ-AWEZNQCLSA-N 2 2 312.379 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(F)F)c(F)c2)CC[N@@H+]1C ZINC000892105603 1016233913 /nfs/dbraw/zinc/23/39/13/1016233913.db2.gz ONTHXUQBPJRBTL-YPMHNXCESA-N 2 2 300.368 3.678 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(F)F)c(F)c2)CC[N@H+]1C ZINC000892105603 1016233915 /nfs/dbraw/zinc/23/39/15/1016233915.db2.gz ONTHXUQBPJRBTL-YPMHNXCESA-N 2 2 300.368 3.678 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(F)F)c(F)c2)CC[NH+]1C ZINC000892105603 1016233920 /nfs/dbraw/zinc/23/39/20/1016233920.db2.gz ONTHXUQBPJRBTL-YPMHNXCESA-N 2 2 300.368 3.678 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(F)F)c(F)c2)CC[NH+]1C ZINC000892105603 1016233924 /nfs/dbraw/zinc/23/39/24/1016233924.db2.gz ONTHXUQBPJRBTL-YPMHNXCESA-N 2 2 300.368 3.678 20 0 DHADLP CC(C)COc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000346424073 1016402832 /nfs/dbraw/zinc/40/28/32/1016402832.db2.gz PZGPPPCLGUKYTF-UHFFFAOYSA-N 2 2 313.445 3.755 20 0 DHADLP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152222863 1016403777 /nfs/dbraw/zinc/40/37/77/1016403777.db2.gz ZNGQDJZQPJYONN-IBGZPJMESA-N 2 2 303.409 3.958 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000152252750 1016435182 /nfs/dbraw/zinc/43/51/82/1016435182.db2.gz WXSWXCCINXRPHT-LJQANCHMSA-N 2 2 303.409 3.958 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000184972649 1016471919 /nfs/dbraw/zinc/47/19/19/1016471919.db2.gz NCLWZHXDYKHFDC-CYBMUJFWSA-N 2 2 310.869 3.817 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268894 1016546526 /nfs/dbraw/zinc/54/65/26/1016546526.db2.gz HWHZBALVNRMNSS-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268894 1016546528 /nfs/dbraw/zinc/54/65/28/1016546528.db2.gz HWHZBALVNRMNSS-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268894 1016546539 /nfs/dbraw/zinc/54/65/39/1016546539.db2.gz HWHZBALVNRMNSS-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268894 1016546548 /nfs/dbraw/zinc/54/65/48/1016546548.db2.gz HWHZBALVNRMNSS-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP Fc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(F)c1F ZINC000657387788 1016568135 /nfs/dbraw/zinc/56/81/35/1016568135.db2.gz ZXEAKKQDBWYRDQ-UHFFFAOYSA-N 2 2 312.379 3.601 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000346937928 1016644828 /nfs/dbraw/zinc/64/48/28/1016644828.db2.gz GZMIHGHIPVLWEF-YJBOKZPZSA-N 2 2 303.409 3.863 20 0 DHADLP c1csc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cc2)c1 ZINC000657470327 1016943935 /nfs/dbraw/zinc/94/39/35/1016943935.db2.gz PZBXOVRVACQOMQ-HNNXBMFYSA-N 2 2 309.438 3.785 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C(C)(C)c1ccccc1 ZINC000152739433 1016982922 /nfs/dbraw/zinc/98/29/22/1016982922.db2.gz LNZVDERJWCIPMT-INIZCTEOSA-N 2 2 311.473 3.718 20 0 DHADLP CC1(C)Cc2occc2[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000152762191 1016996257 /nfs/dbraw/zinc/99/62/57/1016996257.db2.gz MWBPKAXFXXCMHA-INIZCTEOSA-N 2 2 313.445 3.658 20 0 DHADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000623435438 1017044256 /nfs/dbraw/zinc/04/42/56/1017044256.db2.gz DXUAEAVEDQRJCP-GRGSLBFTSA-N 2 2 309.457 3.728 20 0 DHADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000623435440 1017046281 /nfs/dbraw/zinc/04/62/81/1017046281.db2.gz DXUAEAVEDQRJCP-UDTPNQRGSA-N 2 2 309.457 3.728 20 0 DHADLP C[NH2+]CC[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001246823715 1032207184 /nfs/dbraw/zinc/20/71/84/1032207184.db2.gz QKFQTKSPCYDEOC-VXGBXAGGSA-N 2 2 301.261 3.781 20 0 DHADLP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001246823715 1032207185 /nfs/dbraw/zinc/20/71/85/1032207185.db2.gz QKFQTKSPCYDEOC-VXGBXAGGSA-N 2 2 301.261 3.781 20 0 DHADLP Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090762845 1032417692 /nfs/dbraw/zinc/41/76/92/1032417692.db2.gz DTFIRGKSUQRZSL-KBPBESRZSA-N 2 2 324.428 3.931 20 0 DHADLP Cc1ncsc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016842 1032520896 /nfs/dbraw/zinc/52/08/96/1032520896.db2.gz ZLGSCPVCIPMPET-MRXNPFEDSA-N 2 2 307.507 3.540 20 0 DHADLP Cc1ncsc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016842 1032520903 /nfs/dbraw/zinc/52/09/03/1032520903.db2.gz ZLGSCPVCIPMPET-MRXNPFEDSA-N 2 2 307.507 3.540 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCC3)s2)[C@H](C)C1 ZINC000093639626 1032550505 /nfs/dbraw/zinc/55/05/05/1032550505.db2.gz XQDRYVGBZKUULY-CJNGLKHVSA-N 2 2 307.507 3.573 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCC3)s2)[C@H](C)C1 ZINC000093639626 1032550514 /nfs/dbraw/zinc/55/05/14/1032550514.db2.gz XQDRYVGBZKUULY-CJNGLKHVSA-N 2 2 307.507 3.573 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CCC3)s2)[C@H](C)C1 ZINC000093639626 1032550520 /nfs/dbraw/zinc/55/05/20/1032550520.db2.gz XQDRYVGBZKUULY-CJNGLKHVSA-N 2 2 307.507 3.573 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)[C@H](C)C1 ZINC000093639626 1032550524 /nfs/dbraw/zinc/55/05/24/1032550524.db2.gz XQDRYVGBZKUULY-CJNGLKHVSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)CC[N@@H+]1C ZINC000093644355 1032550954 /nfs/dbraw/zinc/55/09/54/1032550954.db2.gz AQMUNUUJMNXMAF-TZMCWYRMSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)CC[N@H+]1C ZINC000093644355 1032550959 /nfs/dbraw/zinc/55/09/59/1032550959.db2.gz AQMUNUUJMNXMAF-TZMCWYRMSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)CC[NH+]1C ZINC000093644355 1032550961 /nfs/dbraw/zinc/55/09/61/1032550961.db2.gz AQMUNUUJMNXMAF-TZMCWYRMSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)CC[NH+]1C ZINC000093644355 1032550963 /nfs/dbraw/zinc/55/09/63/1032550963.db2.gz AQMUNUUJMNXMAF-TZMCWYRMSA-N 2 2 321.515 3.786 20 0 DHADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382852 1032557710 /nfs/dbraw/zinc/55/77/10/1032557710.db2.gz NPYDLWXYQGCXEX-KRWDZBQOSA-N 2 2 322.443 3.627 20 0 DHADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382852 1032557713 /nfs/dbraw/zinc/55/77/13/1032557713.db2.gz NPYDLWXYQGCXEX-KRWDZBQOSA-N 2 2 322.443 3.627 20 0 DHADLP CS[C@@H]1CC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000425370329 1012504051 /nfs/dbraw/zinc/50/40/51/1012504051.db2.gz NWXBDFNNMDKVEC-DLBZAZTESA-N 2 2 304.503 3.525 20 0 DHADLP CS[C@@H]1CC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000425370329 1012504082 /nfs/dbraw/zinc/50/40/82/1012504082.db2.gz NWXBDFNNMDKVEC-DLBZAZTESA-N 2 2 304.503 3.525 20 0 DHADLP Clc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167959026 1012515492 /nfs/dbraw/zinc/51/54/92/1012515492.db2.gz NFMWQLRPLDXPKY-ALOPSCKCSA-N 2 2 304.865 3.835 20 0 DHADLP Clc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959026 1012515510 /nfs/dbraw/zinc/51/55/10/1012515510.db2.gz NFMWQLRPLDXPKY-ALOPSCKCSA-N 2 2 304.865 3.835 20 0 DHADLP COCCC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000123082705 1032636692 /nfs/dbraw/zinc/63/66/92/1032636692.db2.gz YHLNKAJPINTPRO-INIZCTEOSA-N 2 2 313.445 3.730 20 0 DHADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000179392408 1012667856 /nfs/dbraw/zinc/66/78/56/1012667856.db2.gz CBTSDTTZRRWKRK-OLZOCXBDSA-N 2 2 311.351 3.684 20 0 DHADLP C[C@@H](C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1)C(F)(F)F ZINC001208886972 1012737113 /nfs/dbraw/zinc/73/71/13/1012737113.db2.gz GKMWMRDWIKJFGQ-ZDUSSCGKSA-N 2 2 304.400 3.525 20 0 DHADLP C[C@@H](C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1)C(F)(F)F ZINC001208886972 1012737134 /nfs/dbraw/zinc/73/71/34/1012737134.db2.gz GKMWMRDWIKJFGQ-ZDUSSCGKSA-N 2 2 304.400 3.525 20 0 DHADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000476830934 1032656868 /nfs/dbraw/zinc/65/68/68/1032656868.db2.gz ZMCACWSDXAFQSX-OAHLLOKOSA-N 2 2 324.896 3.880 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001172859691 1033430187 /nfs/dbraw/zinc/43/01/87/1033430187.db2.gz VTDFVGKTBLZWAS-DOMZBBRYSA-N 2 2 310.844 3.627 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001172859691 1033430192 /nfs/dbraw/zinc/43/01/92/1033430192.db2.gz VTDFVGKTBLZWAS-DOMZBBRYSA-N 2 2 310.844 3.627 20 0 DHADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000623655931 1017156030 /nfs/dbraw/zinc/15/60/30/1017156030.db2.gz IYVQVNFSHQINOO-HNNXBMFYSA-N 2 2 315.486 3.632 20 0 DHADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000623655931 1017156042 /nfs/dbraw/zinc/15/60/42/1017156042.db2.gz IYVQVNFSHQINOO-HNNXBMFYSA-N 2 2 315.486 3.632 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000657563382 1017407094 /nfs/dbraw/zinc/40/70/94/1017407094.db2.gz NTHUMRKQFZMCGR-JQHSSLGASA-N 2 2 301.478 3.570 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000657563382 1017407102 /nfs/dbraw/zinc/40/71/02/1017407102.db2.gz NTHUMRKQFZMCGR-JQHSSLGASA-N 2 2 301.478 3.570 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564524 1017412088 /nfs/dbraw/zinc/41/20/88/1017412088.db2.gz WDNJOCBAOHGRPN-APEZIOSESA-N 2 2 316.489 3.699 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564524 1017412095 /nfs/dbraw/zinc/41/20/95/1017412095.db2.gz WDNJOCBAOHGRPN-APEZIOSESA-N 2 2 316.489 3.699 20 0 DHADLP Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000623860691 1017535515 /nfs/dbraw/zinc/53/55/15/1017535515.db2.gz BPYXQYBJDRKJHS-QWHCGFSZSA-N 2 2 322.250 3.693 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000857905438 1032711156 /nfs/dbraw/zinc/71/11/56/1032711156.db2.gz GIWZAGZAXXPLEB-AWEZNQCLSA-N 2 2 307.869 3.575 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171458162 1032720461 /nfs/dbraw/zinc/72/04/61/1032720461.db2.gz JCXWDGBUWCFXMM-PBHICJAKSA-N 2 2 322.443 3.532 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CCC(F)(F)CC1 ZINC000624188579 1017760528 /nfs/dbraw/zinc/76/05/28/1017760528.db2.gz XMDGAEUFKQHUTI-BBRMVZONSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CCC(F)(F)CC1 ZINC000624188579 1017760546 /nfs/dbraw/zinc/76/05/46/1017760546.db2.gz XMDGAEUFKQHUTI-BBRMVZONSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CCC(F)(F)CC1 ZINC000624188581 1017762249 /nfs/dbraw/zinc/76/22/49/1017762249.db2.gz XMDGAEUFKQHUTI-CZUORRHYSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CCC(F)(F)CC1 ZINC000624188581 1017762262 /nfs/dbraw/zinc/76/22/62/1017762262.db2.gz XMDGAEUFKQHUTI-CZUORRHYSA-N 2 2 300.437 3.807 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)C)nc2C)CC1 ZINC000339009239 1032727371 /nfs/dbraw/zinc/72/73/71/1032727371.db2.gz CTWXEWKZGKUTAL-UHFFFAOYSA-N 2 2 303.494 3.820 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)C)nc2C)CC1 ZINC000339009239 1032727394 /nfs/dbraw/zinc/72/73/94/1032727394.db2.gz CTWXEWKZGKUTAL-UHFFFAOYSA-N 2 2 303.494 3.820 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000658011592 1017912267 /nfs/dbraw/zinc/91/22/67/1017912267.db2.gz GMAQHQBJFLADTO-ZFWWWQNUSA-N 2 2 303.475 3.821 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000658011592 1017912274 /nfs/dbraw/zinc/91/22/74/1017912274.db2.gz GMAQHQBJFLADTO-ZFWWWQNUSA-N 2 2 303.475 3.821 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H]3CC[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC000657714268 1017932307 /nfs/dbraw/zinc/93/23/07/1017932307.db2.gz UEPPPPQIQDJBSO-QZTJIDSGSA-N 2 2 309.438 3.970 20 0 DHADLP COc1ccc([C@H]2CCCCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000182619680 1017936850 /nfs/dbraw/zinc/93/68/50/1017936850.db2.gz STSKKTCTWRTVIN-LJQANCHMSA-N 2 2 313.445 3.899 20 0 DHADLP COc1ccc([C@H]2CCCCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000182619680 1017936859 /nfs/dbraw/zinc/93/68/59/1017936859.db2.gz STSKKTCTWRTVIN-LJQANCHMSA-N 2 2 313.445 3.899 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000674698898 1018110565 /nfs/dbraw/zinc/11/05/65/1018110565.db2.gz HYOPQWCXMXBJNY-CYBMUJFWSA-N 2 2 319.811 3.757 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3ccc(Cl)cc31)CCC2 ZINC000343095395 1018158397 /nfs/dbraw/zinc/15/83/97/1018158397.db2.gz JNTYLNBTNSOZPZ-WMLDXEAASA-N 2 2 315.848 3.999 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000343103282 1018170489 /nfs/dbraw/zinc/17/04/89/1018170489.db2.gz ODLYYAYSZRPZFL-MRXNPFEDSA-N 2 2 301.821 3.814 20 0 DHADLP C[N@@H+](Cc1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525268944 1018227458 /nfs/dbraw/zinc/22/74/58/1018227458.db2.gz NNYLLKYZWFDLFT-SFHVURJKSA-N 2 2 312.432 3.780 20 0 DHADLP C[N@H+](Cc1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525268944 1018227465 /nfs/dbraw/zinc/22/74/65/1018227465.db2.gz NNYLLKYZWFDLFT-SFHVURJKSA-N 2 2 312.432 3.780 20 0 DHADLP C[NH+](Cc1ccccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525268944 1018227473 /nfs/dbraw/zinc/22/74/73/1018227473.db2.gz NNYLLKYZWFDLFT-SFHVURJKSA-N 2 2 312.432 3.780 20 0 DHADLP C[NH+](Cc1ccccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525268944 1018227485 /nfs/dbraw/zinc/22/74/85/1018227485.db2.gz NNYLLKYZWFDLFT-SFHVURJKSA-N 2 2 312.432 3.780 20 0 DHADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCCO1 ZINC000675156409 1018277737 /nfs/dbraw/zinc/27/77/37/1018277737.db2.gz OWGAKPLPEFKAOG-SFHVURJKSA-N 2 2 313.445 3.557 20 0 DHADLP C(C[NH+]1CCC([NH+]2CCCCC2)CC1)OC1CCCCCC1 ZINC000525422961 1018288906 /nfs/dbraw/zinc/28/89/06/1018288906.db2.gz KWBDSNRZDGZSFI-UHFFFAOYSA-N 2 2 308.510 3.676 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c2cccnc2)c1 ZINC000926475659 1018289647 /nfs/dbraw/zinc/28/96/47/1018289647.db2.gz VGXSJZYYZHRXLT-YLJYHZDGSA-N 2 2 311.473 3.575 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCCCC3)CC2)cc1 ZINC000764551451 1018312684 /nfs/dbraw/zinc/31/26/84/1018312684.db2.gz YXVOOIAZHJCTKA-UHFFFAOYSA-N 2 2 301.478 3.644 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000447309613 1018364635 /nfs/dbraw/zinc/36/46/35/1018364635.db2.gz PIPDCPFKVRKXLP-MRXNPFEDSA-N 2 2 306.881 3.956 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000447309613 1018364647 /nfs/dbraw/zinc/36/46/47/1018364647.db2.gz PIPDCPFKVRKXLP-MRXNPFEDSA-N 2 2 306.881 3.956 20 0 DHADLP Cc1nsc(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000575244119 1018491370 /nfs/dbraw/zinc/49/13/70/1018491370.db2.gz WEMYLZCHICMYRC-WMLDXEAASA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nsc(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000575244119 1018491375 /nfs/dbraw/zinc/49/13/75/1018491375.db2.gz WEMYLZCHICMYRC-WMLDXEAASA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nsc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000575244119 1018491382 /nfs/dbraw/zinc/49/13/82/1018491382.db2.gz WEMYLZCHICMYRC-WMLDXEAASA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nsc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000575244119 1018491388 /nfs/dbraw/zinc/49/13/88/1018491388.db2.gz WEMYLZCHICMYRC-WMLDXEAASA-N 2 2 321.534 3.846 20 0 DHADLP Cc1noc(C)c1[C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000925203399 1018505120 /nfs/dbraw/zinc/50/51/20/1018505120.db2.gz KQBXDDRXJKWGSF-HUUCEWRRSA-N 2 2 315.461 3.853 20 0 DHADLP Cc1noc(C)c1[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000925203399 1018505132 /nfs/dbraw/zinc/50/51/32/1018505132.db2.gz KQBXDDRXJKWGSF-HUUCEWRRSA-N 2 2 315.461 3.853 20 0 DHADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1Cl ZINC000858104513 1032770083 /nfs/dbraw/zinc/77/00/83/1032770083.db2.gz NHHZOVAHDUYDPT-INIZCTEOSA-N 2 2 321.852 3.750 20 0 DHADLP C[C@@H](Cc1cccs1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000675739846 1018569224 /nfs/dbraw/zinc/56/92/24/1018569224.db2.gz YNLMLUCAAPFHMR-HNNXBMFYSA-N 2 2 311.454 3.714 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)o1 ZINC000675917695 1018625960 /nfs/dbraw/zinc/62/59/60/1018625960.db2.gz BBAJENLAHWERTG-NVXWUHKLSA-N 2 2 309.413 3.956 20 0 DHADLP CCC1(CC)[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1OC ZINC000765258851 1018731910 /nfs/dbraw/zinc/73/19/10/1018731910.db2.gz BURLQBAUGJCJLZ-ROUUACIJSA-N 2 2 313.445 3.556 20 0 DHADLP CCc1nc(C)c([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000765254100 1018738497 /nfs/dbraw/zinc/73/84/97/1018738497.db2.gz WNNBBXAIDVOOBR-TZMCWYRMSA-N 2 2 320.506 3.976 20 0 DHADLP Cc1nc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(C)s1 ZINC000676489897 1018753421 /nfs/dbraw/zinc/75/34/21/1018753421.db2.gz MOCSZGUFPXEKMN-LBPRGKRZSA-N 2 2 304.463 3.698 20 0 DHADLP C[C@H](COc1ccccc1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000765439642 1018791026 /nfs/dbraw/zinc/79/10/26/1018791026.db2.gz PRAKTXBFSDCFNK-IAGOWNOFSA-N 2 2 321.424 3.990 20 0 DHADLP Cc1cccc2c1CC[C@@H]([N@H+](C(C)C)C1CC[NH+](C)CC1)C2 ZINC001171578592 1032791614 /nfs/dbraw/zinc/79/16/14/1032791614.db2.gz KXGYQNUUPOBCMK-LJQANCHMSA-N 2 2 300.490 3.657 20 0 DHADLP Cc1cccc2c1CC[C@@H]([N@@H+](C(C)C)C1CC[NH+](C)CC1)C2 ZINC001171578592 1032791624 /nfs/dbraw/zinc/79/16/24/1032791624.db2.gz KXGYQNUUPOBCMK-LJQANCHMSA-N 2 2 300.490 3.657 20 0 DHADLP Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001171579038 1032791978 /nfs/dbraw/zinc/79/19/78/1032791978.db2.gz NDVQDYMXBJTXHJ-RBUKOAKNSA-N 2 2 322.452 3.709 20 0 DHADLP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@@H](Oc3cc[nH+]cc3C)C1)C2 ZINC001171579038 1032791994 /nfs/dbraw/zinc/79/19/94/1032791994.db2.gz NDVQDYMXBJTXHJ-RBUKOAKNSA-N 2 2 322.452 3.709 20 0 DHADLP Cc1cccc2c1CC[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001171577234 1032791378 /nfs/dbraw/zinc/79/13/78/1032791378.db2.gz CUNRLQJSEBIHCX-IBGZPJMESA-N 2 2 321.468 3.506 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000261863693 1019025312 /nfs/dbraw/zinc/02/53/12/1019025312.db2.gz GHGYHRAYOWMPHP-TZMCWYRMSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000261863693 1019025323 /nfs/dbraw/zinc/02/53/23/1019025323.db2.gz GHGYHRAYOWMPHP-TZMCWYRMSA-N 2 2 319.836 3.554 20 0 DHADLP COc1cccc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)c1F ZINC001171626085 1032807223 /nfs/dbraw/zinc/80/72/23/1032807223.db2.gz VJDPQNRMTDVJMK-UHFFFAOYSA-N 2 2 308.441 3.575 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccncc2s1 ZINC000657838048 1019089337 /nfs/dbraw/zinc/08/93/37/1019089337.db2.gz NEOCFWPWGLYWRU-NWANDNLSSA-N 2 2 301.459 3.574 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc2ccncc2s1 ZINC000657838048 1019089355 /nfs/dbraw/zinc/08/93/55/1019089355.db2.gz NEOCFWPWGLYWRU-NWANDNLSSA-N 2 2 301.459 3.574 20 0 DHADLP CS[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000921589742 1019102036 /nfs/dbraw/zinc/10/20/36/1019102036.db2.gz PNKYEFMNXLCCFC-CVEARBPZSA-N 2 2 301.459 3.636 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000091284640 1019456895 /nfs/dbraw/zinc/45/68/95/1019456895.db2.gz BAMFBYGLXJLQTN-HXUWFJFHSA-N 2 2 309.457 3.811 20 0 DHADLP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2O1 ZINC000092072213 1019498965 /nfs/dbraw/zinc/49/89/65/1019498965.db2.gz DTQCRGMKEHKCBT-MRXNPFEDSA-N 2 2 311.429 3.503 20 0 DHADLP CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2O1 ZINC000092072213 1019498969 /nfs/dbraw/zinc/49/89/69/1019498969.db2.gz DTQCRGMKEHKCBT-MRXNPFEDSA-N 2 2 311.429 3.503 20 0 DHADLP CC(C)c1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000092066219 1019499250 /nfs/dbraw/zinc/49/92/50/1019499250.db2.gz TWKVRBOIYMIVLY-RHSMWYFYSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000092066219 1019499259 /nfs/dbraw/zinc/49/92/59/1019499259.db2.gz TWKVRBOIYMIVLY-RHSMWYFYSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000092066219 1019499262 /nfs/dbraw/zinc/49/92/62/1019499262.db2.gz TWKVRBOIYMIVLY-RHSMWYFYSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000092066219 1019499271 /nfs/dbraw/zinc/49/92/71/1019499271.db2.gz TWKVRBOIYMIVLY-RHSMWYFYSA-N 2 2 319.518 3.715 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cn1 ZINC000092766294 1019546981 /nfs/dbraw/zinc/54/69/81/1019546981.db2.gz YWYXSGVDCFJDBA-CQSZACIVSA-N 2 2 305.441 3.668 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093770328 1019580986 /nfs/dbraw/zinc/58/09/86/1019580986.db2.gz DXBXFMVKSSEGOJ-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093770328 1019580995 /nfs/dbraw/zinc/58/09/95/1019580995.db2.gz DXBXFMVKSSEGOJ-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093770328 1019581005 /nfs/dbraw/zinc/58/10/05/1019581005.db2.gz DXBXFMVKSSEGOJ-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093770328 1019581016 /nfs/dbraw/zinc/58/10/16/1019581016.db2.gz DXBXFMVKSSEGOJ-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)Cn1cc[nH+]c1 ZINC000062254600 1019771555 /nfs/dbraw/zinc/77/15/55/1019771555.db2.gz AGSSBTGPNJSTAP-AWEZNQCLSA-N 2 2 313.376 3.708 20 0 DHADLP Fc1ccc(-c2ccc(C[NH2+]CCCCn3cc[nH+]c3)o2)cc1 ZINC000079932075 1019790996 /nfs/dbraw/zinc/79/09/96/1019790996.db2.gz XGPNFTMSOGSEGR-UHFFFAOYSA-N 2 2 313.376 3.852 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000658095588 1020141806 /nfs/dbraw/zinc/14/18/06/1020141806.db2.gz JFZWNEPJHDHYMH-FGTMMUONSA-N 2 2 315.505 3.879 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000658095588 1020141808 /nfs/dbraw/zinc/14/18/08/1020141808.db2.gz JFZWNEPJHDHYMH-FGTMMUONSA-N 2 2 315.505 3.879 20 0 DHADLP COCCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000658096495 1020142076 /nfs/dbraw/zinc/14/20/76/1020142076.db2.gz QLCPDSYPCVLIRD-QZTJIDSGSA-N 2 2 322.468 3.756 20 0 DHADLP COCCC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000658096495 1020142079 /nfs/dbraw/zinc/14/20/79/1020142079.db2.gz QLCPDSYPCVLIRD-QZTJIDSGSA-N 2 2 322.468 3.756 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000926945894 1032880297 /nfs/dbraw/zinc/88/02/97/1032880297.db2.gz QNRKIAHYHPZCOJ-CORIIIEPSA-N 2 2 309.335 3.721 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000113515311 1020197761 /nfs/dbraw/zinc/19/77/61/1020197761.db2.gz YEDGSKHOAXNEIF-GFCCVEGCSA-N 2 2 308.878 3.938 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000113515311 1020197768 /nfs/dbraw/zinc/19/77/68/1020197768.db2.gz YEDGSKHOAXNEIF-GFCCVEGCSA-N 2 2 308.878 3.938 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2sccc21 ZINC000658294655 1020287118 /nfs/dbraw/zinc/28/71/18/1020287118.db2.gz JGQKUJRMMMRWER-FRFSOERESA-N 2 2 320.502 3.529 20 0 DHADLP CC(C)CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccoc1 ZINC000658294096 1020287235 /nfs/dbraw/zinc/28/72/35/1020287235.db2.gz FZRQDOPLTXMELV-RTBURBONSA-N 2 2 320.477 3.600 20 0 DHADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000623655711 1020341033 /nfs/dbraw/zinc/34/10/33/1020341033.db2.gz CFPREOJBLKCVAO-HNNXBMFYSA-N 2 2 315.486 3.632 20 0 DHADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000623655711 1020341046 /nfs/dbraw/zinc/34/10/46/1020341046.db2.gz CFPREOJBLKCVAO-HNNXBMFYSA-N 2 2 315.486 3.632 20 0 DHADLP Fc1cc([C@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc(F)c1F ZINC000892441932 1020358416 /nfs/dbraw/zinc/35/84/16/1020358416.db2.gz URLQEOLEFYTIPO-CJNGLKHVSA-N 2 2 323.362 3.616 20 0 DHADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655847906 1020421563 /nfs/dbraw/zinc/42/15/63/1020421563.db2.gz FRMJLDHBKRRSAJ-GVDBMIGSSA-N 2 2 302.487 3.830 20 0 DHADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655847906 1020421570 /nfs/dbraw/zinc/42/15/70/1020421570.db2.gz FRMJLDHBKRRSAJ-GVDBMIGSSA-N 2 2 302.487 3.830 20 0 DHADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655847905 1020421896 /nfs/dbraw/zinc/42/18/96/1020421896.db2.gz FRMJLDHBKRRSAJ-BBWFWOEESA-N 2 2 302.487 3.830 20 0 DHADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655847905 1020421900 /nfs/dbraw/zinc/42/19/00/1020421900.db2.gz FRMJLDHBKRRSAJ-BBWFWOEESA-N 2 2 302.487 3.830 20 0 DHADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000921685962 1020441921 /nfs/dbraw/zinc/44/19/21/1020441921.db2.gz COHZKPMQNXOJIZ-UHFFFAOYSA-N 2 2 315.461 3.714 20 0 DHADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000921685962 1020441923 /nfs/dbraw/zinc/44/19/23/1020441923.db2.gz COHZKPMQNXOJIZ-UHFFFAOYSA-N 2 2 315.461 3.714 20 0 DHADLP CCC1([NH+](C)C)CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000631477721 1020494297 /nfs/dbraw/zinc/49/42/97/1020494297.db2.gz PFKIXMNDQIJJQB-UHFFFAOYSA-N 2 2 313.445 3.554 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000474716826 1020526921 /nfs/dbraw/zinc/52/69/21/1020526921.db2.gz ZQXRDXWUYTXVJJ-MRFVTOPCSA-N 2 2 306.416 3.816 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CCC(C(F)(F)F)CC1 ZINC000474716826 1020526924 /nfs/dbraw/zinc/52/69/24/1020526924.db2.gz ZQXRDXWUYTXVJJ-MRFVTOPCSA-N 2 2 306.416 3.816 20 0 DHADLP Clc1oc2ccccc2c1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482506 1020585755 /nfs/dbraw/zinc/58/57/55/1020585755.db2.gz KNANVCNGUYYBIS-UHFFFAOYSA-N 2 2 304.821 3.803 20 0 DHADLP Clc1oc2ccccc2c1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482506 1020585762 /nfs/dbraw/zinc/58/57/62/1020585762.db2.gz KNANVCNGUYYBIS-UHFFFAOYSA-N 2 2 304.821 3.803 20 0 DHADLP Fc1cccc([C@H]2CC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000674013401 1020633309 /nfs/dbraw/zinc/63/33/09/1020633309.db2.gz OEMVODWTSHIWQJ-LJQANCHMSA-N 2 2 307.372 3.958 20 0 DHADLP Fc1cccc([C@H]2CC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000674013401 1020633315 /nfs/dbraw/zinc/63/33/15/1020633315.db2.gz OEMVODWTSHIWQJ-LJQANCHMSA-N 2 2 307.372 3.958 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)C1(F)F ZINC000625649712 1020643951 /nfs/dbraw/zinc/64/39/51/1020643951.db2.gz RCDBPECLNHYPPN-OKILXGFUSA-N 2 2 305.372 3.595 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)C1(F)F ZINC000625649712 1020643958 /nfs/dbraw/zinc/64/39/58/1020643958.db2.gz RCDBPECLNHYPPN-OKILXGFUSA-N 2 2 305.372 3.595 20 0 DHADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000647498645 1020776792 /nfs/dbraw/zinc/77/67/92/1020776792.db2.gz LVKHVOKDGKGZSQ-LRDDRELGSA-N 2 2 319.449 3.508 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@@H]1[NH3+] ZINC000647498645 1020776802 /nfs/dbraw/zinc/77/68/02/1020776802.db2.gz LVKHVOKDGKGZSQ-LRDDRELGSA-N 2 2 319.449 3.508 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccn1 ZINC000736647664 1020827030 /nfs/dbraw/zinc/82/70/30/1020827030.db2.gz KTHJRUVZIJJJGM-IBGZPJMESA-N 2 2 324.403 3.893 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc2c(c1)CCCO2 ZINC000858533854 1032934616 /nfs/dbraw/zinc/93/46/16/1032934616.db2.gz UOEFQBPFMJSZIF-DNVCBOLYSA-N 2 2 314.473 3.679 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc2c(c1)CCCO2 ZINC000858533854 1032934628 /nfs/dbraw/zinc/93/46/28/1032934628.db2.gz UOEFQBPFMJSZIF-DNVCBOLYSA-N 2 2 314.473 3.679 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000858536542 1032934690 /nfs/dbraw/zinc/93/46/90/1032934690.db2.gz MEHMLOWBKIPPRM-LRDDRELGSA-N 2 2 319.399 3.609 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000858536542 1032934702 /nfs/dbraw/zinc/93/47/02/1032934702.db2.gz MEHMLOWBKIPPRM-LRDDRELGSA-N 2 2 319.399 3.609 20 0 DHADLP FC(F)(F)C1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000858532705 1032935986 /nfs/dbraw/zinc/93/59/86/1032935986.db2.gz NYSASAUKEJBZBS-SSDMNJCBSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)C1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000858532705 1032935998 /nfs/dbraw/zinc/93/59/98/1032935998.db2.gz NYSASAUKEJBZBS-SSDMNJCBSA-N 2 2 304.400 3.714 20 0 DHADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000766270152 1020999417 /nfs/dbraw/zinc/99/94/17/1020999417.db2.gz OPJOCNPMLVUOSU-XJKSGUPXSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000766270152 1020999428 /nfs/dbraw/zinc/99/94/28/1020999428.db2.gz OPJOCNPMLVUOSU-XJKSGUPXSA-N 2 2 312.404 3.813 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@H](C)c1nc2ccccc2s1 ZINC000766275699 1021039203 /nfs/dbraw/zinc/03/92/03/1021039203.db2.gz YOWNHAZNVFPLPL-ILXRZTDVSA-N 2 2 317.502 3.862 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@H](C)c1nc2ccccc2s1 ZINC000766275699 1021039206 /nfs/dbraw/zinc/03/92/06/1021039206.db2.gz YOWNHAZNVFPLPL-ILXRZTDVSA-N 2 2 317.502 3.862 20 0 DHADLP Cc1nc(C)c(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000742391100 1021110622 /nfs/dbraw/zinc/11/06/22/1021110622.db2.gz DCGBECWXYGHCRB-LBPRGKRZSA-N 2 2 312.442 3.796 20 0 DHADLP C[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000742378570 1021115334 /nfs/dbraw/zinc/11/53/34/1021115334.db2.gz VAHGQPJBDNARTH-WMZOPIPTSA-N 2 2 315.505 3.890 20 0 DHADLP CC1([NH3+])CC[NH+](CCCc2c(Cl)cccc2Cl)CC1 ZINC000647530724 1021124006 /nfs/dbraw/zinc/12/40/06/1021124006.db2.gz BXRLSBLGOGVBRD-UHFFFAOYSA-N 2 2 301.261 3.739 20 0 DHADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000180559586 1021143850 /nfs/dbraw/zinc/14/38/50/1021143850.db2.gz ZSNRWMGOCWINTP-ZBFHGGJFSA-N 2 2 312.461 3.594 20 0 DHADLP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1C(F)(F)F ZINC000414375426 1021151706 /nfs/dbraw/zinc/15/17/06/1021151706.db2.gz YQFPKDMZJQINMJ-UHFFFAOYSA-N 2 2 300.368 3.540 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301890492 1021238346 /nfs/dbraw/zinc/23/83/46/1021238346.db2.gz QYHAFENUSWVFPE-NVXWUHKLSA-N 2 2 320.440 3.885 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301890492 1021238354 /nfs/dbraw/zinc/23/83/54/1021238354.db2.gz QYHAFENUSWVFPE-NVXWUHKLSA-N 2 2 320.440 3.885 20 0 DHADLP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926799928 1021310676 /nfs/dbraw/zinc/31/06/76/1021310676.db2.gz VVBZSWNHUHIIHP-FZKCQIBNSA-N 2 2 316.411 3.738 20 0 DHADLP FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926799928 1021310696 /nfs/dbraw/zinc/31/06/96/1021310696.db2.gz VVBZSWNHUHIIHP-FZKCQIBNSA-N 2 2 316.411 3.738 20 0 DHADLP Fc1ccc([C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000538099852 1032984845 /nfs/dbraw/zinc/98/48/45/1032984845.db2.gz DOOKIAAVPGNUMA-HKUYNNGSSA-N 2 2 302.437 3.883 20 0 DHADLP Fc1ccc([C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000538099852 1032984859 /nfs/dbraw/zinc/98/48/59/1032984859.db2.gz DOOKIAAVPGNUMA-HKUYNNGSSA-N 2 2 302.437 3.883 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C(F)F)nc1 ZINC000850424886 1021523392 /nfs/dbraw/zinc/52/33/92/1021523392.db2.gz IBMBFVYMEWJXQD-WFASDCNBSA-N 2 2 322.403 3.981 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCC3CCCC3)C2)n2c1CCCC2 ZINC000337428873 1032990277 /nfs/dbraw/zinc/99/02/77/1032990277.db2.gz DDWXCKMGLONPKZ-QGZVFWFLSA-N 2 2 301.478 3.979 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@H+](CCC3CCCC3)C2)n2c1CCCC2 ZINC000337428873 1032990286 /nfs/dbraw/zinc/99/02/86/1032990286.db2.gz DDWXCKMGLONPKZ-QGZVFWFLSA-N 2 2 301.478 3.979 20 0 DHADLP COc1ccccc1[C@@H](C)[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129342 1033001543 /nfs/dbraw/zinc/00/15/43/1033001543.db2.gz YJWATSQUBVMMMF-WCXIOVBPSA-N 2 2 302.462 3.703 20 0 DHADLP COc1ccccc1[C@@H](C)[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172129342 1033001561 /nfs/dbraw/zinc/00/15/61/1033001561.db2.gz YJWATSQUBVMMMF-WCXIOVBPSA-N 2 2 302.462 3.703 20 0 DHADLP COc1ccccc1[C@@H](C)[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172129342 1033001576 /nfs/dbraw/zinc/00/15/76/1033001576.db2.gz YJWATSQUBVMMMF-WCXIOVBPSA-N 2 2 302.462 3.703 20 0 DHADLP COc1ccccc1[C@@H](C)[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172129342 1033001595 /nfs/dbraw/zinc/00/15/95/1033001595.db2.gz YJWATSQUBVMMMF-WCXIOVBPSA-N 2 2 302.462 3.703 20 0 DHADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000556583426 1021783503 /nfs/dbraw/zinc/78/35/03/1021783503.db2.gz IPVMFKAZDGVNTB-JKSUJKDBSA-N 2 2 314.395 3.883 20 0 DHADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000556583426 1021783517 /nfs/dbraw/zinc/78/35/17/1021783517.db2.gz IPVMFKAZDGVNTB-JKSUJKDBSA-N 2 2 314.395 3.883 20 0 DHADLP COc1ccc(Cl)cc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000746052970 1021838621 /nfs/dbraw/zinc/83/86/21/1021838621.db2.gz HBRCCJCAYSSPIA-UHFFFAOYSA-N 2 2 312.885 3.947 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000556925819 1021947413 /nfs/dbraw/zinc/94/74/13/1021947413.db2.gz FRRHGCKUZNXZID-MRXNPFEDSA-N 2 2 316.489 3.564 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000556925819 1021947416 /nfs/dbraw/zinc/94/74/16/1021947416.db2.gz FRRHGCKUZNXZID-MRXNPFEDSA-N 2 2 316.489 3.564 20 0 DHADLP COc1ccccc1C1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCC1 ZINC001172115894 1033018296 /nfs/dbraw/zinc/01/82/96/1033018296.db2.gz VZSMITAPRJCNMO-OSYLJGHBSA-N 2 2 314.473 3.679 20 0 DHADLP COc1ccccc1C1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC1 ZINC001172115894 1033018307 /nfs/dbraw/zinc/01/83/07/1033018307.db2.gz VZSMITAPRJCNMO-OSYLJGHBSA-N 2 2 314.473 3.679 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cnn(C2CCCC2)c1 ZINC000337490669 1033025909 /nfs/dbraw/zinc/02/59/09/1033025909.db2.gz VZZIPMDBBFQIOB-OAHLLOKOSA-N 2 2 313.449 3.546 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cnn(C2CCCC2)c1 ZINC000337499149 1033035803 /nfs/dbraw/zinc/03/58/03/1033035803.db2.gz ZUQUIFALMXYFMK-LSJNQWAISA-N 2 2 316.493 3.666 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000397910180 1022207060 /nfs/dbraw/zinc/20/70/60/1022207060.db2.gz HOGYSVQNPPDMLH-ZCNNSNEGSA-N 2 2 316.489 3.588 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000397910180 1022207074 /nfs/dbraw/zinc/20/70/74/1022207074.db2.gz HOGYSVQNPPDMLH-ZCNNSNEGSA-N 2 2 316.489 3.588 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)oc1C ZINC000337503245 1033037644 /nfs/dbraw/zinc/03/76/44/1033037644.db2.gz CSTJUPLTJZYANB-HNNXBMFYSA-N 2 2 309.413 3.992 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Br ZINC001169099317 1022247721 /nfs/dbraw/zinc/24/77/21/1022247721.db2.gz PNVSCQBLUBOWSQ-XDQVBPFNSA-N 2 2 323.278 3.725 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Br ZINC001169099317 1022247723 /nfs/dbraw/zinc/24/77/23/1022247723.db2.gz PNVSCQBLUBOWSQ-XDQVBPFNSA-N 2 2 323.278 3.725 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)Cc1ccccn1)C2 ZINC001169124511 1022261269 /nfs/dbraw/zinc/26/12/69/1022261269.db2.gz DHDQJVSYVJXUBN-WKCHPHFGSA-N 2 2 321.468 3.709 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](Cc1ccccc1)Cc1ccccn1)C2 ZINC001169124511 1022261275 /nfs/dbraw/zinc/26/12/75/1022261275.db2.gz DHDQJVSYVJXUBN-WKCHPHFGSA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](Cc1ccccc1)Cc1ccccn1)C2 ZINC001169124511 1022261277 /nfs/dbraw/zinc/26/12/77/1022261277.db2.gz DHDQJVSYVJXUBN-WKCHPHFGSA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)Cc1ccccn1)C2 ZINC001169124511 1022261284 /nfs/dbraw/zinc/26/12/84/1022261284.db2.gz DHDQJVSYVJXUBN-WKCHPHFGSA-N 2 2 321.468 3.709 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001169126494 1022261744 /nfs/dbraw/zinc/26/17/44/1022261744.db2.gz VDXMNBYISPLLNR-RCLSDMTESA-N 2 2 321.468 3.518 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001169126494 1022261749 /nfs/dbraw/zinc/26/17/49/1022261749.db2.gz VDXMNBYISPLLNR-RCLSDMTESA-N 2 2 321.468 3.518 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001169126494 1022261755 /nfs/dbraw/zinc/26/17/55/1022261755.db2.gz VDXMNBYISPLLNR-RCLSDMTESA-N 2 2 321.468 3.518 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCn3cccc3[C@H]1c1ccccc1)C2 ZINC001169126494 1022261762 /nfs/dbraw/zinc/26/17/62/1022261762.db2.gz VDXMNBYISPLLNR-RCLSDMTESA-N 2 2 321.468 3.518 20 0 DHADLP CN(C)c1cc(Cl)[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169139315 1022267065 /nfs/dbraw/zinc/26/70/65/1022267065.db2.gz ZDKVCSBLADGPRH-SJCJKPOMSA-N 2 2 324.900 3.757 20 0 DHADLP CC1(C)C[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)C[C@@](C)(C[NH3+])C1 ZINC001169142922 1022274391 /nfs/dbraw/zinc/27/43/91/1022274391.db2.gz HZCCVBIVCWQGGZ-VQIMIIECSA-N 2 2 316.493 3.637 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001169144043 1022275057 /nfs/dbraw/zinc/27/50/57/1022275057.db2.gz HZGBKKXYSOSLRO-XMTFNYHQSA-N 2 2 320.477 3.541 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001169144043 1022275060 /nfs/dbraw/zinc/27/50/60/1022275060.db2.gz HZGBKKXYSOSLRO-XMTFNYHQSA-N 2 2 320.477 3.541 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001169144043 1022275070 /nfs/dbraw/zinc/27/50/70/1022275070.db2.gz HZGBKKXYSOSLRO-XMTFNYHQSA-N 2 2 320.477 3.541 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001169144043 1022275081 /nfs/dbraw/zinc/27/50/81/1022275081.db2.gz HZGBKKXYSOSLRO-XMTFNYHQSA-N 2 2 320.477 3.541 20 0 DHADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000267523608 1022314070 /nfs/dbraw/zinc/31/40/70/1022314070.db2.gz OMCFPEPIISEFSW-YOEHRIQHSA-N 2 2 315.486 3.594 20 0 DHADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000267523608 1022314087 /nfs/dbraw/zinc/31/40/87/1022314087.db2.gz OMCFPEPIISEFSW-YOEHRIQHSA-N 2 2 315.486 3.594 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000154628182 1022315132 /nfs/dbraw/zinc/31/51/32/1022315132.db2.gz XGXYUSJGBBZPFA-NVXWUHKLSA-N 2 2 320.477 3.619 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1OC ZINC000154628182 1022315148 /nfs/dbraw/zinc/31/51/48/1022315148.db2.gz XGXYUSJGBBZPFA-NVXWUHKLSA-N 2 2 320.477 3.619 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337534260 1033055075 /nfs/dbraw/zinc/05/50/75/1033055075.db2.gz FLSOXHNMSUSHFY-APHBMKBZSA-N 2 2 321.371 3.683 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000236837133 1022424632 /nfs/dbraw/zinc/42/46/32/1022424632.db2.gz PUCWDSUBEOTUCM-LJQANCHMSA-N 2 2 324.468 3.936 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000236837133 1022424639 /nfs/dbraw/zinc/42/46/39/1022424639.db2.gz PUCWDSUBEOTUCM-LJQANCHMSA-N 2 2 324.468 3.936 20 0 DHADLP CCC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000158554872 1022641339 /nfs/dbraw/zinc/64/13/39/1022641339.db2.gz OZAWTKFQJXCYMC-FQEVSTJZSA-N 2 2 323.484 3.961 20 0 DHADLP CCC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000158554872 1022641346 /nfs/dbraw/zinc/64/13/46/1022641346.db2.gz OZAWTKFQJXCYMC-FQEVSTJZSA-N 2 2 323.484 3.961 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309668 1022675818 /nfs/dbraw/zinc/67/58/18/1022675818.db2.gz JCRKREIMNPLKLS-HDEZJCGLSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309668 1022675829 /nfs/dbraw/zinc/67/58/29/1022675829.db2.gz JCRKREIMNPLKLS-HDEZJCGLSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@H]1c1cccs1 ZINC000417329516 1022680974 /nfs/dbraw/zinc/68/09/74/1022680974.db2.gz UINYHQCGMKKEGC-VNQPRFMTSA-N 2 2 315.486 3.605 20 0 DHADLP CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172319424 1033084586 /nfs/dbraw/zinc/08/45/86/1033084586.db2.gz QXBMOXNZAVKETE-CVEARBPZSA-N 2 2 301.434 3.556 20 0 DHADLP CC1(C)CC([NH2+][C@H]2COCc3cccc(Cl)c32)CC(C)(C)[NH2+]1 ZINC000798179643 1022855847 /nfs/dbraw/zinc/85/58/47/1022855847.db2.gz ILSWIAAZFYNQRJ-HNNXBMFYSA-N 2 2 322.880 3.810 20 0 DHADLP CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172319425 1033085731 /nfs/dbraw/zinc/08/57/31/1033085731.db2.gz QXBMOXNZAVKETE-HOTGVXAUSA-N 2 2 301.434 3.556 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC2(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000857060205 1022938374 /nfs/dbraw/zinc/93/83/74/1022938374.db2.gz LZFNEQWCSXASLO-HYVNUMGLSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC2(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000857060205 1022938377 /nfs/dbraw/zinc/93/83/77/1022938377.db2.gz LZFNEQWCSXASLO-HYVNUMGLSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC2(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000857060207 1022938416 /nfs/dbraw/zinc/93/84/16/1022938416.db2.gz LZFNEQWCSXASLO-PVAVHDDUSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC2(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000857060207 1022938420 /nfs/dbraw/zinc/93/84/20/1022938420.db2.gz LZFNEQWCSXASLO-PVAVHDDUSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCCNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001167754255 1023048931 /nfs/dbraw/zinc/04/89/31/1023048931.db2.gz QATZWLAKDMVBGS-HNNXBMFYSA-N 2 2 316.424 3.688 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCCNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001167754255 1023048949 /nfs/dbraw/zinc/04/89/49/1023048949.db2.gz QATZWLAKDMVBGS-HNNXBMFYSA-N 2 2 316.424 3.688 20 0 DHADLP Cc1cccc(OCC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000337635338 1033113732 /nfs/dbraw/zinc/11/37/32/1033113732.db2.gz SDYFCTGBWMHJOI-UHFFFAOYSA-N 2 2 321.424 3.692 20 0 DHADLP Cc1cccc(OCC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000337635338 1033113742 /nfs/dbraw/zinc/11/37/42/1033113742.db2.gz SDYFCTGBWMHJOI-UHFFFAOYSA-N 2 2 321.424 3.692 20 0 DHADLP CC[C@H](C)OCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172348320 1033131123 /nfs/dbraw/zinc/13/11/23/1033131123.db2.gz PNIWFOALGSEEBE-IRXDYDNUSA-N 2 2 315.461 3.898 20 0 DHADLP CC[C@H](C)OCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172348320 1033131130 /nfs/dbraw/zinc/13/11/30/1033131130.db2.gz PNIWFOALGSEEBE-IRXDYDNUSA-N 2 2 315.461 3.898 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)n1 ZINC000771388776 1023432215 /nfs/dbraw/zinc/43/22/15/1023432215.db2.gz RUZDIKMWDYUZRL-HNNXBMFYSA-N 2 2 306.413 3.735 20 0 DHADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000651680804 1023454510 /nfs/dbraw/zinc/45/45/10/1023454510.db2.gz RKTJXVRBMPUZAE-GZBFAFLISA-N 2 2 308.828 3.683 20 0 DHADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000651680804 1023454513 /nfs/dbraw/zinc/45/45/13/1023454513.db2.gz RKTJXVRBMPUZAE-GZBFAFLISA-N 2 2 308.828 3.683 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC001172363976 1033142301 /nfs/dbraw/zinc/14/23/01/1033142301.db2.gz SVUAVBKACDZRFA-SOLBZPMBSA-N 2 2 301.478 3.712 20 0 DHADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000651865954 1023604460 /nfs/dbraw/zinc/60/44/60/1023604460.db2.gz OEJHWGPIYMAUHX-UHFFFAOYSA-N 2 2 309.454 3.503 20 0 DHADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000651865954 1023604465 /nfs/dbraw/zinc/60/44/65/1023604465.db2.gz OEJHWGPIYMAUHX-UHFFFAOYSA-N 2 2 309.454 3.503 20 0 DHADLP C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000787291577 1023779651 /nfs/dbraw/zinc/77/96/51/1023779651.db2.gz AZYSKWZDEBPFDV-HNAYVOBHSA-N 2 2 319.408 3.527 20 0 DHADLP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC000788638015 1023916665 /nfs/dbraw/zinc/91/66/65/1023916665.db2.gz FODGJGQJPNJQQG-FQEVSTJZSA-N 2 2 319.408 3.745 20 0 DHADLP CCC1([NH3+])CC[NH+]([C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000925757210 1023979248 /nfs/dbraw/zinc/97/92/48/1023979248.db2.gz FLKSAWLHMGDNGV-GOSISDBHSA-N 2 2 313.420 3.513 20 0 DHADLP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C[NH3+])C1CC1 ZINC000662272233 1024047362 /nfs/dbraw/zinc/04/73/62/1024047362.db2.gz CUYUJOHRUISZJJ-CYBMUJFWSA-N 2 2 306.759 3.528 20 0 DHADLP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C[NH3+])C1CC1 ZINC000662272233 1024047384 /nfs/dbraw/zinc/04/73/84/1024047384.db2.gz CUYUJOHRUISZJJ-CYBMUJFWSA-N 2 2 306.759 3.528 20 0 DHADLP FC(F)(F)c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150810887 1024080966 /nfs/dbraw/zinc/08/09/66/1024080966.db2.gz ZVRVAROKPYTVHJ-HNNXBMFYSA-N 2 2 312.379 3.623 20 0 DHADLP FC(F)(F)c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150810887 1024080980 /nfs/dbraw/zinc/08/09/80/1024080980.db2.gz ZVRVAROKPYTVHJ-HNNXBMFYSA-N 2 2 312.379 3.623 20 0 DHADLP CC(C)COCC[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172473089 1033189614 /nfs/dbraw/zinc/18/96/14/1033189614.db2.gz SIMTUIHKNSKUTI-OAHLLOKOSA-N 2 2 301.434 3.633 20 0 DHADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000268794407 1024163093 /nfs/dbraw/zinc/16/30/93/1024163093.db2.gz ZFSHQCOSVWTBEW-INIZCTEOSA-N 2 2 321.424 3.791 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000268851726 1024178636 /nfs/dbraw/zinc/17/86/36/1024178636.db2.gz WMPUGFLJUHWMGA-JSGCOSHPSA-N 2 2 309.360 3.614 20 0 DHADLP CC[C@H]([NH2+]C[C@H](c1ccccc1)[NH+](CC)CC)C1CCOCC1 ZINC000531677839 1024267133 /nfs/dbraw/zinc/26/71/33/1024267133.db2.gz DGQRWXXIJNJHNC-VQTJNVASSA-N 2 2 318.505 3.864 20 0 DHADLP c1cn(Cc2ccc(C[NH2+][C@H](C3CC3)C3CCCC3)cc2)c[nH+]1 ZINC000453070515 1024299472 /nfs/dbraw/zinc/29/94/72/1024299472.db2.gz COHPITKTHNYAPR-FQEVSTJZSA-N 2 2 309.457 3.990 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000453092238 1024326779 /nfs/dbraw/zinc/32/67/79/1024326779.db2.gz QQTNMIXIDGZMPC-QZTJIDSGSA-N 2 2 303.494 3.503 20 0 DHADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000269954365 1024332653 /nfs/dbraw/zinc/33/26/53/1024332653.db2.gz WBUKGYBJEWPACH-SFHVURJKSA-N 2 2 320.427 3.949 20 0 DHADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883259599 1024333222 /nfs/dbraw/zinc/33/32/22/1024333222.db2.gz ROVXDFAHVJLYDR-SJORKVTESA-N 2 2 322.880 3.844 20 0 DHADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883259599 1024333235 /nfs/dbraw/zinc/33/32/35/1024333235.db2.gz ROVXDFAHVJLYDR-SJORKVTESA-N 2 2 322.880 3.844 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1Cl ZINC000663465731 1024402525 /nfs/dbraw/zinc/40/25/25/1024402525.db2.gz KZVDLNPOCFJFKM-DZGCQCFKSA-N 2 2 307.869 3.508 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccncc1Cl ZINC000663465731 1024402532 /nfs/dbraw/zinc/40/25/32/1024402532.db2.gz KZVDLNPOCFJFKM-DZGCQCFKSA-N 2 2 307.869 3.508 20 0 DHADLP C[C@H](Cc1cccs1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387522 1024419820 /nfs/dbraw/zinc/41/98/20/1024419820.db2.gz YYXPSPGOULSYCW-QAPCUYQASA-N 2 2 311.454 3.907 20 0 DHADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1cccnc1 ZINC000270684656 1024419895 /nfs/dbraw/zinc/41/98/95/1024419895.db2.gz VXEVWCNNKWFADV-MRXNPFEDSA-N 2 2 306.413 3.850 20 0 DHADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1cccnc1 ZINC000270684656 1024419903 /nfs/dbraw/zinc/41/99/03/1024419903.db2.gz VXEVWCNNKWFADV-MRXNPFEDSA-N 2 2 306.413 3.850 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387951 1024422527 /nfs/dbraw/zinc/42/25/27/1024422527.db2.gz IXVKZIYOMUUJJR-VQIMIIECSA-N 2 2 320.440 3.933 20 0 DHADLP c1cn(C[C@@H]([NH2+]Cc2scnc2C2CC2)c2ccccc2)c[nH+]1 ZINC000883397624 1024427683 /nfs/dbraw/zinc/42/76/83/1024427683.db2.gz QYRVYQHVEVMZCA-MRXNPFEDSA-N 2 2 324.453 3.748 20 0 DHADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883397283 1024428264 /nfs/dbraw/zinc/42/82/64/1024428264.db2.gz ITAKBULRAHOVPS-IBGZPJMESA-N 2 2 323.444 3.500 20 0 DHADLP CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000883463563 1024440808 /nfs/dbraw/zinc/44/08/08/1024440808.db2.gz SQMAPSPJGCYXPW-LJQANCHMSA-N 2 2 318.424 3.907 20 0 DHADLP c1cnc2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2c1 ZINC000271050305 1024450263 /nfs/dbraw/zinc/45/02/63/1024450263.db2.gz VNELPTXNMXNQOB-UHFFFAOYSA-N 2 2 309.457 3.685 20 0 DHADLP C[C@H](C[NH2+]Cc1cccc(-c2ccccc2)c1)Cn1cc[nH+]c1 ZINC000237586709 1024473955 /nfs/dbraw/zinc/47/39/55/1024473955.db2.gz SGDDRRFIADDMMI-QGZVFWFLSA-N 2 2 305.425 3.976 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000166401164 1024480116 /nfs/dbraw/zinc/48/01/16/1024480116.db2.gz FDAALWRHFCCHAL-OFQRWUPVSA-N 2 2 315.486 3.943 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000166401164 1024480120 /nfs/dbraw/zinc/48/01/20/1024480120.db2.gz FDAALWRHFCCHAL-OFQRWUPVSA-N 2 2 315.486 3.943 20 0 DHADLP COCC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000453393554 1024510662 /nfs/dbraw/zinc/51/06/62/1024510662.db2.gz VCKYQOBQDGMKPG-INIZCTEOSA-N 2 2 313.445 3.730 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348245785 1024552709 /nfs/dbraw/zinc/55/27/09/1024552709.db2.gz PLFGJXLRFPQCGX-BBRMVZONSA-N 2 2 323.362 3.953 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348245785 1024552715 /nfs/dbraw/zinc/55/27/15/1024552715.db2.gz PLFGJXLRFPQCGX-BBRMVZONSA-N 2 2 323.362 3.953 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000532239040 1024587123 /nfs/dbraw/zinc/58/71/23/1024587123.db2.gz ABMGSUFRDWBGAS-IRXDYDNUSA-N 2 2 309.457 3.741 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(-c2ccncc2)cc1 ZINC000532239040 1024587134 /nfs/dbraw/zinc/58/71/34/1024587134.db2.gz ABMGSUFRDWBGAS-IRXDYDNUSA-N 2 2 309.457 3.741 20 0 DHADLP CSC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000193806787 1024609276 /nfs/dbraw/zinc/60/92/76/1024609276.db2.gz NVXZNZQPDDEJAH-AWEZNQCLSA-N 2 2 301.459 3.809 20 0 DHADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(C(C)(C)C)s1 ZINC000349361313 1024705382 /nfs/dbraw/zinc/70/53/82/1024705382.db2.gz BGRSHUHPWIJLGC-UHFFFAOYSA-N 2 2 309.523 3.748 20 0 DHADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(C(C)(C)C)s1 ZINC000349361313 1024705392 /nfs/dbraw/zinc/70/53/92/1024705392.db2.gz BGRSHUHPWIJLGC-UHFFFAOYSA-N 2 2 309.523 3.748 20 0 DHADLP CC[C@H]1C[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCO1 ZINC000349422289 1024716065 /nfs/dbraw/zinc/71/60/65/1024716065.db2.gz USWBYMIMNMJKIN-OALUTQOASA-N 2 2 319.493 3.581 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC001170254947 1024725624 /nfs/dbraw/zinc/72/56/24/1024725624.db2.gz LAXIAZWAWGTJIX-JKSUJKDBSA-N 2 2 308.897 3.981 20 0 DHADLP Nc1cccc2c1cc[nH+]c2NC1CC[NH+](C2CCCC2)CC1 ZINC000663691238 1024800728 /nfs/dbraw/zinc/80/07/28/1024800728.db2.gz BUMZXPONXKSJNX-UHFFFAOYSA-N 2 2 310.445 3.636 20 0 DHADLP C[C@H](Cc1ccoc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000648462622 1024851391 /nfs/dbraw/zinc/85/13/91/1024851391.db2.gz VHOHAUQYIUNHBV-CRAIPNDOSA-N 2 2 309.413 3.518 20 0 DHADLP Clc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119661749 1024984860 /nfs/dbraw/zinc/98/48/60/1024984860.db2.gz QLUMVYPRCXAUAC-QGZVFWFLSA-N 2 2 320.864 3.770 20 0 DHADLP COc1ccc(Cl)cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000096982399 1025027048 /nfs/dbraw/zinc/02/70/48/1025027048.db2.gz UPWZGDXLFNEWJA-MRXNPFEDSA-N 2 2 310.869 3.655 20 0 DHADLP COc1ccc(Cl)cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000096982399 1025027060 /nfs/dbraw/zinc/02/70/60/1025027060.db2.gz UPWZGDXLFNEWJA-MRXNPFEDSA-N 2 2 310.869 3.655 20 0 DHADLP COc1ccc(Cl)cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000096982399 1025027075 /nfs/dbraw/zinc/02/70/75/1025027075.db2.gz UPWZGDXLFNEWJA-MRXNPFEDSA-N 2 2 310.869 3.655 20 0 DHADLP COc1ccc(Cl)cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000096982399 1025027088 /nfs/dbraw/zinc/02/70/88/1025027088.db2.gz UPWZGDXLFNEWJA-MRXNPFEDSA-N 2 2 310.869 3.655 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CC[N@@H+]1C ZINC000348320763 1025037128 /nfs/dbraw/zinc/03/71/28/1025037128.db2.gz HLBBQXIHGPNLBE-KOLCDFICSA-N 2 2 322.321 3.556 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)CC[N@H+]1C ZINC000348320763 1025037140 /nfs/dbraw/zinc/03/71/40/1025037140.db2.gz HLBBQXIHGPNLBE-KOLCDFICSA-N 2 2 322.321 3.556 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccncc1F ZINC000338020217 1033258157 /nfs/dbraw/zinc/25/81/57/1033258157.db2.gz OAFUNSCODUMDSY-INMHGKMJSA-N 2 2 319.468 3.914 20 0 DHADLP CCCCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000321664227 1025119057 /nfs/dbraw/zinc/11/90/57/1025119057.db2.gz RGVRCGXNSVZKLH-VDGAXYAQSA-N 2 2 316.489 3.543 20 0 DHADLP CCCCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000321664227 1025119065 /nfs/dbraw/zinc/11/90/65/1025119065.db2.gz RGVRCGXNSVZKLH-VDGAXYAQSA-N 2 2 316.489 3.543 20 0 DHADLP CC1CCC([NH2+][C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001168199902 1025251880 /nfs/dbraw/zinc/25/18/80/1025251880.db2.gz ZZHFNXWYGPEZHS-WDIPEOLASA-N 2 2 311.267 3.617 20 0 DHADLP Cc1[nH+]c2c(n1[C@@H]1CCC[C@@H](c3ccccc3)C1)CC[NH2+]CC2 ZINC001172540293 1033272537 /nfs/dbraw/zinc/27/25/37/1033272537.db2.gz DERKUUDSZMBXDD-QZTJIDSGSA-N 2 2 309.457 3.779 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000353977517 1025309736 /nfs/dbraw/zinc/30/97/36/1025309736.db2.gz ZVENUKPBIMPHGX-DLBZAZTESA-N 2 2 320.477 3.619 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000353977517 1025309746 /nfs/dbraw/zinc/30/97/46/1025309746.db2.gz ZVENUKPBIMPHGX-DLBZAZTESA-N 2 2 320.477 3.619 20 0 DHADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000353994628 1025313955 /nfs/dbraw/zinc/31/39/55/1025313955.db2.gz CIDIVTWXCFESJD-VQIMIIECSA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000353994628 1025313962 /nfs/dbraw/zinc/31/39/62/1025313962.db2.gz CIDIVTWXCFESJD-VQIMIIECSA-N 2 2 302.462 3.537 20 0 DHADLP COc1cccc(C[NH+]2CCC([NH2+]C3CCC(C)CC3)CC2)c1 ZINC001168204264 1025320742 /nfs/dbraw/zinc/32/07/42/1025320742.db2.gz HAAXHCOQRFBUPJ-UHFFFAOYSA-N 2 2 316.489 3.828 20 0 DHADLP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123613651 1025391098 /nfs/dbraw/zinc/39/10/98/1025391098.db2.gz YHEVPTDGEQDXQE-HUUCEWRRSA-N 2 2 301.409 3.575 20 0 DHADLP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123613651 1025391112 /nfs/dbraw/zinc/39/11/12/1025391112.db2.gz YHEVPTDGEQDXQE-HUUCEWRRSA-N 2 2 301.409 3.575 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000885922866 1025405083 /nfs/dbraw/zinc/40/50/83/1025405083.db2.gz JXERDAODWQJVNH-SQNIBIBYSA-N 2 2 308.510 3.721 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000885922866 1025405089 /nfs/dbraw/zinc/40/50/89/1025405089.db2.gz JXERDAODWQJVNH-SQNIBIBYSA-N 2 2 308.510 3.721 20 0 DHADLP CCC[N@H+](Cc1coc(-c2ccc(C)cc2)n1)C1CC[NH2+]CC1 ZINC000261681966 1025405383 /nfs/dbraw/zinc/40/53/83/1025405383.db2.gz IBXMMFDBQWYRGN-UHFFFAOYSA-N 2 2 313.445 3.614 20 0 DHADLP CCC[N@@H+](Cc1coc(-c2ccc(C)cc2)n1)C1CC[NH2+]CC1 ZINC000261681966 1025405387 /nfs/dbraw/zinc/40/53/87/1025405387.db2.gz IBXMMFDBQWYRGN-UHFFFAOYSA-N 2 2 313.445 3.614 20 0 DHADLP Cc1coc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000885956152 1025418119 /nfs/dbraw/zinc/41/81/19/1025418119.db2.gz KNTWDIXDXRWIKC-HNNXBMFYSA-N 2 2 304.459 3.651 20 0 DHADLP Cc1coc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000885956152 1025418120 /nfs/dbraw/zinc/41/81/20/1025418120.db2.gz KNTWDIXDXRWIKC-HNNXBMFYSA-N 2 2 304.459 3.651 20 0 DHADLP Cc1coc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000886000265 1025434364 /nfs/dbraw/zinc/43/43/64/1025434364.db2.gz ZEAIXMAYBQUEJR-RHSMWYFYSA-N 2 2 304.459 3.822 20 0 DHADLP Cc1coc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000886000265 1025434368 /nfs/dbraw/zinc/43/43/68/1025434368.db2.gz ZEAIXMAYBQUEJR-RHSMWYFYSA-N 2 2 304.459 3.822 20 0 DHADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCC2)CC1 ZINC000354629141 1025469133 /nfs/dbraw/zinc/46/91/33/1025469133.db2.gz WALUOHZXYRCTFL-UHFFFAOYSA-N 2 2 301.821 3.563 20 0 DHADLP CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000127583287 1025546059 /nfs/dbraw/zinc/54/60/59/1025546059.db2.gz BRSBZVUGMXRVOK-CVEARBPZSA-N 2 2 314.477 3.562 20 0 DHADLP Oc1cccc2sc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc21 ZINC000893980104 1025636606 /nfs/dbraw/zinc/63/66/06/1025636606.db2.gz HQJFMVGJEJSXFZ-UHFFFAOYSA-N 2 2 313.426 3.641 20 0 DHADLP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCn1cc[nH+]c1 ZINC000886487683 1025647349 /nfs/dbraw/zinc/64/73/49/1025647349.db2.gz OLKLMTCFCFUNGP-KRWDZBQOSA-N 2 2 312.392 3.561 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000130943802 1025675618 /nfs/dbraw/zinc/67/56/18/1025675618.db2.gz JXGOBQBPMJHZKC-XLIONFOSSA-N 2 2 313.489 3.772 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000130943802 1025675634 /nfs/dbraw/zinc/67/56/34/1025675634.db2.gz JXGOBQBPMJHZKC-XLIONFOSSA-N 2 2 313.489 3.772 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3c(F)cccc3F)CC2)[nH+]c1C ZINC000886662901 1025769756 /nfs/dbraw/zinc/76/97/56/1025769756.db2.gz PCPLHVUXSGXDCD-UHFFFAOYSA-N 2 2 305.372 3.684 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3cc(C)nc(Cl)c3)CC2)[nH+]c1C ZINC000886661270 1025771255 /nfs/dbraw/zinc/77/12/55/1025771255.db2.gz QKTCTNSYHBDUCM-UHFFFAOYSA-N 2 2 318.852 3.763 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@H]3CCC(C)(C)C3)sc2C1 ZINC000355584970 1025776156 /nfs/dbraw/zinc/77/61/56/1025776156.db2.gz QTOBOPZFQWZJJY-AWEZNQCLSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@H]3CCC(C)(C)C3)sc2C1 ZINC000355584970 1025776169 /nfs/dbraw/zinc/77/61/69/1025776169.db2.gz QTOBOPZFQWZJJY-AWEZNQCLSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@H]3CCC(C)(C)C3)sc2C1 ZINC000355584970 1025776178 /nfs/dbraw/zinc/77/61/78/1025776178.db2.gz QTOBOPZFQWZJJY-AWEZNQCLSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@H]3CCC(C)(C)C3)sc2C1 ZINC000355584970 1025776195 /nfs/dbraw/zinc/77/61/95/1025776195.db2.gz QTOBOPZFQWZJJY-AWEZNQCLSA-N 2 2 321.534 3.920 20 0 DHADLP CC[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)CC1CCC1 ZINC000355595496 1025779569 /nfs/dbraw/zinc/77/95/69/1025779569.db2.gz BFJWIQKLQSGOLY-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)CC1CCC1 ZINC000355595496 1025779585 /nfs/dbraw/zinc/77/95/85/1025779585.db2.gz BFJWIQKLQSGOLY-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)CC1CCC1 ZINC000355595496 1025779620 /nfs/dbraw/zinc/77/96/20/1025779620.db2.gz BFJWIQKLQSGOLY-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@H]3C(C)(C)C)cc2)CC1 ZINC000806155861 1025814610 /nfs/dbraw/zinc/81/46/10/1025814610.db2.gz VIQUPGSDETZWNY-QZTJIDSGSA-N 2 2 301.478 3.675 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000355701333 1025815869 /nfs/dbraw/zinc/81/58/69/1025815869.db2.gz INECIVSWMASSPA-RDTXWAMCSA-N 2 2 307.397 3.879 20 0 DHADLP CCc1cccc(Cl)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000355760855 1025832306 /nfs/dbraw/zinc/83/23/06/1025832306.db2.gz QMGQOYAPYRTDQD-UHFFFAOYSA-N 2 2 303.837 3.936 20 0 DHADLP COc1cc2cc[nH+]c(NCc3cc(C)[nH+]c(C)c3)c2cc1OC ZINC000664025997 1026003982 /nfs/dbraw/zinc/00/39/82/1026003982.db2.gz OUKQJCXQIINVOH-UHFFFAOYSA-N 2 2 323.396 3.876 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000237468724 1026015768 /nfs/dbraw/zinc/01/57/68/1026015768.db2.gz QZEVEIZXEWGDCC-DNVCBOLYSA-N 2 2 321.424 3.938 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310653 1026017663 /nfs/dbraw/zinc/01/76/63/1026017663.db2.gz VFXOPUANLPGDQL-RISCZKNCSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310653 1026017678 /nfs/dbraw/zinc/01/76/78/1026017678.db2.gz VFXOPUANLPGDQL-RISCZKNCSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310653 1026017684 /nfs/dbraw/zinc/01/76/84/1026017684.db2.gz VFXOPUANLPGDQL-RISCZKNCSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310653 1026017704 /nfs/dbraw/zinc/01/77/04/1026017704.db2.gz VFXOPUANLPGDQL-RISCZKNCSA-N 2 2 318.408 3.683 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644575 1026120917 /nfs/dbraw/zinc/12/09/17/1026120917.db2.gz RTDLZNJBDLLZJA-IAQYHMDHSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000093644575 1026120923 /nfs/dbraw/zinc/12/09/23/1026120923.db2.gz RTDLZNJBDLLZJA-IAQYHMDHSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000093644575 1026120931 /nfs/dbraw/zinc/12/09/31/1026120931.db2.gz RTDLZNJBDLLZJA-IAQYHMDHSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000093644575 1026120936 /nfs/dbraw/zinc/12/09/36/1026120936.db2.gz RTDLZNJBDLLZJA-IAQYHMDHSA-N 2 2 318.358 3.759 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000808698280 1026374251 /nfs/dbraw/zinc/37/42/51/1026374251.db2.gz LLBNPNLZZQOMQS-DNVCBOLYSA-N 2 2 311.473 3.928 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000808698280 1026374262 /nfs/dbraw/zinc/37/42/62/1026374262.db2.gz LLBNPNLZZQOMQS-DNVCBOLYSA-N 2 2 311.473 3.928 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+](C)[C@@H]2CCCc3ccccc32)s1 ZINC000809540485 1026548125 /nfs/dbraw/zinc/54/81/25/1026548125.db2.gz VEVYABNPIBIXLD-QGZVFWFLSA-N 2 2 315.486 3.714 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)s1 ZINC000809540485 1026548131 /nfs/dbraw/zinc/54/81/31/1026548131.db2.gz VEVYABNPIBIXLD-QGZVFWFLSA-N 2 2 315.486 3.714 20 0 DHADLP C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809782878 1026624301 /nfs/dbraw/zinc/62/43/01/1026624301.db2.gz JZLAUSDOCUZXIY-KBPBESRZSA-N 2 2 309.523 3.851 20 0 DHADLP C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809782878 1026624303 /nfs/dbraw/zinc/62/43/03/1026624303.db2.gz JZLAUSDOCUZXIY-KBPBESRZSA-N 2 2 309.523 3.851 20 0 DHADLP CSc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000810133875 1026685435 /nfs/dbraw/zinc/68/54/35/1026685435.db2.gz NHMWORQNFOQNOT-ZDUSSCGKSA-N 2 2 309.504 3.871 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420362725 1026809296 /nfs/dbraw/zinc/80/92/96/1026809296.db2.gz HRVUWFNOODOTHG-BBRMVZONSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420362725 1026809302 /nfs/dbraw/zinc/80/93/02/1026809302.db2.gz HRVUWFNOODOTHG-BBRMVZONSA-N 2 2 323.278 3.586 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C(C)C)c(F)c1 ZINC000421828914 1027060886 /nfs/dbraw/zinc/06/08/86/1027060886.db2.gz FZPLVUUDJVJKIN-HBUWYVDXSA-N 2 2 308.441 3.604 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C(C)C)c(F)c1 ZINC000421828914 1027060890 /nfs/dbraw/zinc/06/08/90/1027060890.db2.gz FZPLVUUDJVJKIN-HBUWYVDXSA-N 2 2 308.441 3.604 20 0 DHADLP C[C@@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000561951356 1027141591 /nfs/dbraw/zinc/14/15/91/1027141591.db2.gz PFYNWDJKZHUCLN-KBPBESRZSA-N 2 2 314.395 3.740 20 0 DHADLP C[C@@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000561951356 1027141595 /nfs/dbraw/zinc/14/15/95/1027141595.db2.gz PFYNWDJKZHUCLN-KBPBESRZSA-N 2 2 314.395 3.740 20 0 DHADLP COc1ccccc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000561975637 1027151995 /nfs/dbraw/zinc/15/19/95/1027151995.db2.gz NCZJSGAKBDTNQG-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP COc1ccccc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000561975637 1027152002 /nfs/dbraw/zinc/15/20/02/1027152002.db2.gz NCZJSGAKBDTNQG-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[NH+]2CCC2)o1 ZINC000572179220 1027180729 /nfs/dbraw/zinc/18/07/29/1027180729.db2.gz NCXYYTRRDFEIBY-UHFFFAOYSA-N 2 2 302.393 3.580 20 0 DHADLP c1ccc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCC2)cc1 ZINC000272022250 1027202335 /nfs/dbraw/zinc/20/23/35/1027202335.db2.gz HZBHGKWXDUUUFL-UHFFFAOYSA-N 2 2 307.441 3.719 20 0 DHADLP Fc1ccc(C2CC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC000572569347 1027213518 /nfs/dbraw/zinc/21/35/18/1027213518.db2.gz UBYLVGFRMDPLQW-GXOAENINSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccc(C2CC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC000572569347 1027213527 /nfs/dbraw/zinc/21/35/27/1027213527.db2.gz UBYLVGFRMDPLQW-GXOAENINSA-N 2 2 302.437 3.678 20 0 DHADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(C3CCCC3)n2)C[C@H]1C[NH3+] ZINC000422634456 1027291801 /nfs/dbraw/zinc/29/18/01/1027291801.db2.gz JRHTYCXJBHXNQC-VNHYZAJKSA-N 2 2 307.507 3.606 20 0 DHADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(C3CCCC3)n2)C[C@H]1C[NH3+] ZINC000422634456 1027291816 /nfs/dbraw/zinc/29/18/16/1027291816.db2.gz JRHTYCXJBHXNQC-VNHYZAJKSA-N 2 2 307.507 3.606 20 0 DHADLP Cc1sc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)nc1C(C)C ZINC000422718050 1027302296 /nfs/dbraw/zinc/30/22/96/1027302296.db2.gz WKPZFPNTBVGLHU-HIFRSBDPSA-N 2 2 309.523 3.975 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422759171 1027304901 /nfs/dbraw/zinc/30/49/01/1027304901.db2.gz FONOTAJVUUKOQS-WOJBJXKFSA-N 2 2 309.457 3.759 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccc1OCC(C)C ZINC000422941149 1027370372 /nfs/dbraw/zinc/37/03/72/1027370372.db2.gz NWXFGHSPSDEDQZ-VYDXJSESSA-N 2 2 320.477 3.521 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2ccccn2)CC1 ZINC000362760527 1027377454 /nfs/dbraw/zinc/37/74/54/1027377454.db2.gz VTDFULOMWMVERU-HXUWFJFHSA-N 2 2 309.457 3.568 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2ccccn2)CC1 ZINC000362760527 1027377467 /nfs/dbraw/zinc/37/74/67/1027377467.db2.gz VTDFULOMWMVERU-HXUWFJFHSA-N 2 2 309.457 3.568 20 0 DHADLP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccn2)CC1 ZINC000362760527 1027377481 /nfs/dbraw/zinc/37/74/81/1027377481.db2.gz VTDFULOMWMVERU-HXUWFJFHSA-N 2 2 309.457 3.568 20 0 DHADLP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000362760527 1027377498 /nfs/dbraw/zinc/37/74/98/1027377498.db2.gz VTDFULOMWMVERU-HXUWFJFHSA-N 2 2 309.457 3.568 20 0 DHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cs1 ZINC000295684815 1027388456 /nfs/dbraw/zinc/38/84/56/1027388456.db2.gz LGLUEGPMSSWPQR-OAHLLOKOSA-N 2 2 315.486 3.767 20 0 DHADLP COc1ccc([C@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423017332 1027391942 /nfs/dbraw/zinc/39/19/42/1027391942.db2.gz WAHVLCGDJHEWKR-IRXDYDNUSA-N 2 2 324.415 3.656 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2N2CCCCC2)c2ccccc21 ZINC000423043263 1027400730 /nfs/dbraw/zinc/40/07/30/1027400730.db2.gz OBJZJWPQXFPHMK-PMACEKPBSA-N 2 2 321.468 3.911 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)c2ccccc21 ZINC000423042942 1027401137 /nfs/dbraw/zinc/40/11/37/1027401137.db2.gz MRLHKOZGKATADQ-KZNAEPCWSA-N 2 2 312.388 3.774 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC(C)(C)C3)CC2)cc1 ZINC000812842421 1027440429 /nfs/dbraw/zinc/44/04/29/1027440429.db2.gz JZGLICNFOMNCDD-QGZVFWFLSA-N 2 2 315.505 3.890 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000295821887 1027445039 /nfs/dbraw/zinc/44/50/39/1027445039.db2.gz DIZMIENHEJDKMF-HZPDHXFCSA-N 2 2 322.412 3.810 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cs1 ZINC000295831397 1027447961 /nfs/dbraw/zinc/44/79/61/1027447961.db2.gz FAFSUOMXUPDUGR-ZDUSSCGKSA-N 2 2 312.442 3.796 20 0 DHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423190394 1027449706 /nfs/dbraw/zinc/44/97/06/1027449706.db2.gz NWKIOOWGOVFIAJ-CRAIPNDOSA-N 2 2 310.441 3.765 20 0 DHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423193373 1027453748 /nfs/dbraw/zinc/45/37/48/1027453748.db2.gz QMFRPJKGGKAIKR-IAQYHMDHSA-N 2 2 319.449 3.660 20 0 DHADLP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229779 1027465253 /nfs/dbraw/zinc/46/52/53/1027465253.db2.gz CADFAIZTDZWNHY-DGCLKSJQSA-N 2 2 319.449 3.660 20 0 DHADLP [NH3+][C@H](C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3)c1ccccc1 ZINC000423248731 1027474557 /nfs/dbraw/zinc/47/45/57/1027474557.db2.gz SDZKXMHMXNMUTP-UXHICEINSA-N 2 2 322.452 3.679 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)c2c1 ZINC000423272939 1027488958 /nfs/dbraw/zinc/48/89/58/1027488958.db2.gz ZRVNWYOKJBIKRH-KBPBESRZSA-N 2 2 304.434 3.774 20 0 DHADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc2c(c1)COC2 ZINC000423269306 1027490249 /nfs/dbraw/zinc/49/02/49/1027490249.db2.gz FIBCNXCCDGFACS-HNNXBMFYSA-N 2 2 302.462 3.680 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cn1 ZINC000295984545 1027512359 /nfs/dbraw/zinc/51/23/59/1027512359.db2.gz NICDDUAVOGHTPN-MRXNPFEDSA-N 2 2 322.412 3.811 20 0 DHADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423392812 1027531290 /nfs/dbraw/zinc/53/12/90/1027531290.db2.gz QPQUVRFZJPXDHO-QXAKKESOSA-N 2 2 316.489 3.522 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000423509550 1027568104 /nfs/dbraw/zinc/56/81/04/1027568104.db2.gz ROPKWDOMSRSWFY-FZKQIMNGSA-N 2 2 316.420 3.747 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423505249 1027568227 /nfs/dbraw/zinc/56/82/27/1027568227.db2.gz OEMAYADGGNQQBE-OXJNMPFZSA-N 2 2 311.473 3.645 20 0 DHADLP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576554785 1027630851 /nfs/dbraw/zinc/63/08/51/1027630851.db2.gz BWXIDNIXPWNYSF-MNOVXSKESA-N 2 2 309.866 3.593 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363543655 1027669890 /nfs/dbraw/zinc/66/98/90/1027669890.db2.gz FVDZTABFATUSOD-AEGPPILISA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363543655 1027669897 /nfs/dbraw/zinc/66/98/97/1027669897.db2.gz FVDZTABFATUSOD-AEGPPILISA-N 2 2 308.853 3.626 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000577136741 1027713002 /nfs/dbraw/zinc/71/30/02/1027713002.db2.gz WDIDILILSGLFOF-UHOFOFEASA-N 2 2 312.379 3.935 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000577136741 1027713017 /nfs/dbraw/zinc/71/30/17/1027713017.db2.gz WDIDILILSGLFOF-UHOFOFEASA-N 2 2 312.379 3.935 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000577136741 1027713031 /nfs/dbraw/zinc/71/30/31/1027713031.db2.gz WDIDILILSGLFOF-UHOFOFEASA-N 2 2 312.379 3.935 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000577136741 1027713038 /nfs/dbraw/zinc/71/30/38/1027713038.db2.gz WDIDILILSGLFOF-UHOFOFEASA-N 2 2 312.379 3.935 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305270 1027745515 /nfs/dbraw/zinc/74/55/15/1027745515.db2.gz GJBHJVWAPSMSBM-IUODEOHRSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305270 1027745528 /nfs/dbraw/zinc/74/55/28/1027745528.db2.gz GJBHJVWAPSMSBM-IUODEOHRSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305270 1027745542 /nfs/dbraw/zinc/74/55/42/1027745542.db2.gz GJBHJVWAPSMSBM-IUODEOHRSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(Cl)c2Cl)C1 ZINC000577305270 1027745550 /nfs/dbraw/zinc/74/55/50/1027745550.db2.gz GJBHJVWAPSMSBM-IUODEOHRSA-N 2 2 313.272 3.910 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000527681895 1027842371 /nfs/dbraw/zinc/84/23/71/1027842371.db2.gz KQJQQENRQDWNJS-VZJWBNGJSA-N 2 2 313.489 3.631 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CCS2 ZINC000779027151 1027915792 /nfs/dbraw/zinc/91/57/92/1027915792.db2.gz LXUKMBYLFALNOM-NVXWUHKLSA-N 2 2 304.503 3.914 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CCS2 ZINC000779027151 1027915806 /nfs/dbraw/zinc/91/58/06/1027915806.db2.gz LXUKMBYLFALNOM-NVXWUHKLSA-N 2 2 304.503 3.914 20 0 DHADLP c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952526 1027984987 /nfs/dbraw/zinc/98/49/87/1027984987.db2.gz UGEYDMVSEQFPEG-FXAWDEMLSA-N 2 2 313.489 3.930 20 0 DHADLP c1ccc2c(c1)NCCC[C@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527952526 1027984993 /nfs/dbraw/zinc/98/49/93/1027984993.db2.gz UGEYDMVSEQFPEG-FXAWDEMLSA-N 2 2 313.489 3.930 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000814290978 1027990860 /nfs/dbraw/zinc/99/08/60/1027990860.db2.gz VGPJIXQAKLQVQC-MTMYEVCSSA-N 2 2 316.489 3.700 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527981510 1028003004 /nfs/dbraw/zinc/00/30/04/1028003004.db2.gz KFBNTHWMJFQFIW-QWFCFKBJSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527981510 1028003012 /nfs/dbraw/zinc/00/30/12/1028003012.db2.gz KFBNTHWMJFQFIW-QWFCFKBJSA-N 2 2 313.489 3.628 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(OC)c1 ZINC000528010919 1028038683 /nfs/dbraw/zinc/03/86/83/1028038683.db2.gz KOKIJBXWNCCMIB-PKOBYXMFSA-N 2 2 302.462 3.753 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(OC)c1 ZINC000528010919 1028038701 /nfs/dbraw/zinc/03/87/01/1028038701.db2.gz KOKIJBXWNCCMIB-PKOBYXMFSA-N 2 2 302.462 3.753 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528013566 1028044260 /nfs/dbraw/zinc/04/42/60/1028044260.db2.gz SMLYBVVWXYBRLY-MAUKXSAKSA-N 2 2 302.462 3.753 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528013566 1028044269 /nfs/dbraw/zinc/04/42/69/1028044269.db2.gz SMLYBVVWXYBRLY-MAUKXSAKSA-N 2 2 302.462 3.753 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3sccc31)CCC2 ZINC000366210321 1028060305 /nfs/dbraw/zinc/06/03/05/1028060305.db2.gz OLIXZRGGQFIPNB-UKRRQHHQSA-N 2 2 301.459 3.798 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1F ZINC000366213797 1028065145 /nfs/dbraw/zinc/06/51/45/1028065145.db2.gz YZYYWFOXTBDRPG-UKRRQHHQSA-N 2 2 317.408 3.567 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CCCC2CCOCC2)C1 ZINC000366735277 1028106227 /nfs/dbraw/zinc/10/62/27/1028106227.db2.gz MJWSYOUKQYOOKI-SFHVURJKSA-N 2 2 319.493 3.850 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CCCC2CCOCC2)C1 ZINC000366735277 1028106235 /nfs/dbraw/zinc/10/62/35/1028106235.db2.gz MJWSYOUKQYOOKI-SFHVURJKSA-N 2 2 319.493 3.850 20 0 DHADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000563571235 1028111809 /nfs/dbraw/zinc/11/18/09/1028111809.db2.gz MQEUSERBRFNHGX-YWZLYKJASA-N 2 2 314.473 3.895 20 0 DHADLP COCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000367088733 1028135409 /nfs/dbraw/zinc/13/54/09/1028135409.db2.gz XWVGLSLTQKZCFC-SJLPKXTDSA-N 2 2 322.518 3.507 20 0 DHADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000367372684 1028174968 /nfs/dbraw/zinc/17/49/68/1028174968.db2.gz UEQUOIDELVJMOP-NQIIRXRSSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cccnc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000367372684 1028174974 /nfs/dbraw/zinc/17/49/74/1028174974.db2.gz UEQUOIDELVJMOP-NQIIRXRSSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cccnc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000367372684 1028174989 /nfs/dbraw/zinc/17/49/89/1028174989.db2.gz UEQUOIDELVJMOP-NQIIRXRSSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cccnc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000367372684 1028174997 /nfs/dbraw/zinc/17/49/97/1028174997.db2.gz UEQUOIDELVJMOP-NQIIRXRSSA-N 2 2 323.484 3.732 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000368014161 1028278205 /nfs/dbraw/zinc/27/82/05/1028278205.db2.gz DSUBKUPQWZYXFO-LLVKDONJSA-N 2 2 310.228 3.716 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000368014161 1028278221 /nfs/dbraw/zinc/27/82/21/1028278221.db2.gz DSUBKUPQWZYXFO-LLVKDONJSA-N 2 2 310.228 3.716 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000578939963 1028279060 /nfs/dbraw/zinc/27/90/60/1028279060.db2.gz WJRWTBSBUKFUFE-ONEGZZNKSA-N 2 2 321.399 3.874 20 0 DHADLP Clc1ccc(C2=CC[C@H]([NH2+]CCn3cc[nH+]c3)CC2)cc1 ZINC000449061405 1028294455 /nfs/dbraw/zinc/29/44/55/1028294455.db2.gz INJZQJQOJRGCJK-KRWDZBQOSA-N 2 2 301.821 3.762 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102128 1028300546 /nfs/dbraw/zinc/30/05/46/1028300546.db2.gz MMVOJDXQCSZEHJ-SCLBCKFNSA-N 2 2 320.440 3.724 20 0 DHADLP Cc1ncccc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000368143386 1028309953 /nfs/dbraw/zinc/30/99/53/1028309953.db2.gz RVCVNZNBHJEYTG-WOJBJXKFSA-N 2 2 318.424 3.605 20 0 DHADLP CSC1(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000368229035 1028321913 /nfs/dbraw/zinc/32/19/13/1028321913.db2.gz SKIHJOLBVFRSRN-HNNXBMFYSA-N 2 2 319.518 3.685 20 0 DHADLP CSC1(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000368229035 1028321933 /nfs/dbraw/zinc/32/19/33/1028321933.db2.gz SKIHJOLBVFRSRN-HNNXBMFYSA-N 2 2 319.518 3.685 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000579186097 1028342910 /nfs/dbraw/zinc/34/29/10/1028342910.db2.gz VYVQYYQHSZUKNV-INIZCTEOSA-N 2 2 323.444 3.809 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449078929 1028344603 /nfs/dbraw/zinc/34/46/03/1028344603.db2.gz WXVVOLPUQJBAOG-FRFSOERESA-N 2 2 303.837 3.851 20 0 DHADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCC1 ZINC000449191469 1028429146 /nfs/dbraw/zinc/42/91/46/1028429146.db2.gz JYROJQATCPXXKI-SFHVURJKSA-N 2 2 316.493 3.603 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000579587026 1028440982 /nfs/dbraw/zinc/44/09/82/1028440982.db2.gz RISHWHZJJLYYQH-AWEZNQCLSA-N 2 2 301.409 3.542 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000579587026 1028440994 /nfs/dbraw/zinc/44/09/94/1028440994.db2.gz RISHWHZJJLYYQH-AWEZNQCLSA-N 2 2 301.409 3.542 20 0 DHADLP c1cc2cccc(C[N@@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)c2o1 ZINC000449263277 1028514962 /nfs/dbraw/zinc/51/49/62/1028514962.db2.gz KQQAAKOCICXHRB-QGZVFWFLSA-N 2 2 321.424 3.955 20 0 DHADLP c1cc2cccc(C[N@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)c2o1 ZINC000449263277 1028514979 /nfs/dbraw/zinc/51/49/79/1028514979.db2.gz KQQAAKOCICXHRB-QGZVFWFLSA-N 2 2 321.424 3.955 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccs1 ZINC000370630760 1028627045 /nfs/dbraw/zinc/62/70/45/1028627045.db2.gz XMCCOJMOFCYQED-NVXWUHKLSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccs1 ZINC000370630760 1028627050 /nfs/dbraw/zinc/62/70/50/1028627050.db2.gz XMCCOJMOFCYQED-NVXWUHKLSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370659491 1028632323 /nfs/dbraw/zinc/63/23/23/1028632323.db2.gz SUXIAXJUTDHFLE-NEWSRXKRSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370659491 1028632329 /nfs/dbraw/zinc/63/23/29/1028632329.db2.gz SUXIAXJUTDHFLE-NEWSRXKRSA-N 2 2 315.505 3.708 20 0 DHADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370724200 1028643307 /nfs/dbraw/zinc/64/33/07/1028643307.db2.gz XIWXCISOTSFEHT-WNHJNPCNSA-N 2 2 303.494 3.879 20 0 DHADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370724200 1028643314 /nfs/dbraw/zinc/64/33/14/1028643314.db2.gz XIWXCISOTSFEHT-WNHJNPCNSA-N 2 2 303.494 3.879 20 0 DHADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566010432 1028667705 /nfs/dbraw/zinc/66/77/05/1028667705.db2.gz VEZSPFQMONNEMX-CZUORRHYSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566010432 1028667706 /nfs/dbraw/zinc/66/77/06/1028667706.db2.gz VEZSPFQMONNEMX-CZUORRHYSA-N 2 2 323.278 3.586 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000371907552 1028776308 /nfs/dbraw/zinc/77/63/08/1028776308.db2.gz QDUVVOLOPCALCH-LBPRGKRZSA-N 2 2 318.384 3.625 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000566793459 1028780785 /nfs/dbraw/zinc/78/07/85/1028780785.db2.gz IRPHQVVAAKWPGS-OXJNMPFZSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000566793459 1028780799 /nfs/dbraw/zinc/78/07/99/1028780799.db2.gz IRPHQVVAAKWPGS-OXJNMPFZSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528768274 1028787259 /nfs/dbraw/zinc/78/72/59/1028787259.db2.gz JEOHFUGEVIFOTQ-AWEZNQCLSA-N 2 2 305.372 3.800 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528768274 1028787270 /nfs/dbraw/zinc/78/72/70/1028787270.db2.gz JEOHFUGEVIFOTQ-AWEZNQCLSA-N 2 2 305.372 3.800 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000567391928 1028888155 /nfs/dbraw/zinc/88/81/55/1028888155.db2.gz YBDVTQHEZYJXPT-DNVCBOLYSA-N 2 2 311.473 3.785 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000567391928 1028888173 /nfs/dbraw/zinc/88/81/73/1028888173.db2.gz YBDVTQHEZYJXPT-DNVCBOLYSA-N 2 2 311.473 3.785 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2csc(C(F)(F)F)c2)CC1 ZINC000628128664 1028898971 /nfs/dbraw/zinc/89/89/71/1028898971.db2.gz QFJNBTZYVPKDTR-UHFFFAOYSA-N 2 2 306.397 3.683 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2csc(C(F)(F)F)c2)CC1 ZINC000628128664 1028898982 /nfs/dbraw/zinc/89/89/82/1028898982.db2.gz QFJNBTZYVPKDTR-UHFFFAOYSA-N 2 2 306.397 3.683 20 0 DHADLP CCC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000373185671 1028970935 /nfs/dbraw/zinc/97/09/35/1028970935.db2.gz KQMQSMCJJQLOOX-VBQJREDUSA-N 2 2 309.523 3.688 20 0 DHADLP CCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000373185671 1028970952 /nfs/dbraw/zinc/97/09/52/1028970952.db2.gz KQMQSMCJJQLOOX-VBQJREDUSA-N 2 2 309.523 3.688 20 0 DHADLP C[C@H]1C[C@H](n2c[nH+]c3c2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000628371724 1029019300 /nfs/dbraw/zinc/01/93/00/1029019300.db2.gz ZRIRJUCBKKAMPN-FUHWJXTLSA-N 2 2 309.457 3.988 20 0 DHADLP C[C@H]1C[C@H](n2c[nH+]c3c2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000628371724 1029019316 /nfs/dbraw/zinc/01/93/16/1029019316.db2.gz ZRIRJUCBKKAMPN-FUHWJXTLSA-N 2 2 309.457 3.988 20 0 DHADLP C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000373412727 1029035731 /nfs/dbraw/zinc/03/57/31/1029035731.db2.gz MXUIYGLOBYCEPK-OXJNMPFZSA-N 2 2 318.424 3.850 20 0 DHADLP C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000373412727 1029035744 /nfs/dbraw/zinc/03/57/44/1029035744.db2.gz MXUIYGLOBYCEPK-OXJNMPFZSA-N 2 2 318.424 3.850 20 0 DHADLP C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000568380480 1029058431 /nfs/dbraw/zinc/05/84/31/1029058431.db2.gz MKWQIADWPQNEAO-MAUKXSAKSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000568380480 1029058436 /nfs/dbraw/zinc/05/84/36/1029058436.db2.gz MKWQIADWPQNEAO-MAUKXSAKSA-N 2 2 304.453 3.753 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1OC(F)F ZINC000568568399 1029092985 /nfs/dbraw/zinc/09/29/85/1029092985.db2.gz AHLMINZRXCWXCT-UKYUDJEDSA-N 2 2 324.415 3.765 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1OC(F)F ZINC000568568399 1029093000 /nfs/dbraw/zinc/09/30/00/1029093000.db2.gz AHLMINZRXCWXCT-UKYUDJEDSA-N 2 2 324.415 3.765 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCSCc3ccccc3)C2)[nH]1 ZINC000373757782 1029127550 /nfs/dbraw/zinc/12/75/50/1029127550.db2.gz NXPHRNJCTGBSKU-INIZCTEOSA-N 2 2 301.459 3.523 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](CCSCc3ccccc3)C2)[nH]1 ZINC000373757782 1029127554 /nfs/dbraw/zinc/12/75/54/1029127554.db2.gz NXPHRNJCTGBSKU-INIZCTEOSA-N 2 2 301.459 3.523 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(OC(C)C)c1)CCC2 ZINC000374143721 1029219206 /nfs/dbraw/zinc/21/92/06/1029219206.db2.gz NRAIJZKZZFJEFO-QGZVFWFLSA-N 2 2 313.445 3.646 20 0 DHADLP CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)CCC2 ZINC000817923262 1029276470 /nfs/dbraw/zinc/27/64/70/1029276470.db2.gz VKILAAZDKIUIMM-KBAYOESNSA-N 2 2 318.509 3.742 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000817951152 1029292991 /nfs/dbraw/zinc/29/29/91/1029292991.db2.gz AGPCPYHBOOVUBD-IUODEOHRSA-N 2 2 312.429 3.720 20 0 DHADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000629525889 1029358010 /nfs/dbraw/zinc/35/80/10/1029358010.db2.gz FOOBQNAICYVOPT-TUKIKUTGSA-N 2 2 314.445 3.835 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccsc2C(F)(F)F)CC[N@@H+]1C ZINC000529527898 1029360199 /nfs/dbraw/zinc/36/01/99/1029360199.db2.gz GNNYKIRBQHYRJF-CMPLNLGQSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccsc2C(F)(F)F)CC[N@H+]1C ZINC000529527898 1029360216 /nfs/dbraw/zinc/36/02/16/1029360216.db2.gz GNNYKIRBQHYRJF-CMPLNLGQSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccsc2C(F)(F)F)CC[NH+]1C ZINC000529527898 1029360233 /nfs/dbraw/zinc/36/02/33/1029360233.db2.gz GNNYKIRBQHYRJF-CMPLNLGQSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)CC[NH+]1C ZINC000529527898 1029360246 /nfs/dbraw/zinc/36/02/46/1029360246.db2.gz GNNYKIRBQHYRJF-CMPLNLGQSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)C1CC(F)(F)C1 ZINC000529535441 1029366714 /nfs/dbraw/zinc/36/67/14/1029366714.db2.gz GSZRNOMXJMWLPQ-WMLDXEAASA-N 2 2 308.416 3.847 20 0 DHADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC[C@H]1C(F)(F)F ZINC000629564712 1029372383 /nfs/dbraw/zinc/37/23/83/1029372383.db2.gz UCPOZVVXIBNHBP-QWHCGFSZSA-N 2 2 322.321 3.583 20 0 DHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@H]1C(F)(F)F ZINC000629564712 1029372402 /nfs/dbraw/zinc/37/24/02/1029372402.db2.gz UCPOZVVXIBNHBP-QWHCGFSZSA-N 2 2 322.321 3.583 20 0 DHADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562904 1029372688 /nfs/dbraw/zinc/37/26/88/1029372688.db2.gz OGQNBFLBXJSCRP-MPKXVKKWSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562904 1029372706 /nfs/dbraw/zinc/37/27/06/1029372706.db2.gz OGQNBFLBXJSCRP-MPKXVKKWSA-N 2 2 320.786 3.860 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3COCc4ccccc43)CC2)cc1 ZINC000302070031 1029390256 /nfs/dbraw/zinc/39/02/56/1029390256.db2.gz DMHVKBAYCSGPCW-OAQYLSRUSA-N 2 2 322.452 3.512 20 0 DHADLP CC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450362138 1029404252 /nfs/dbraw/zinc/40/42/52/1029404252.db2.gz QLDDQDMHVOVOLT-GFCCVEGCSA-N 2 2 321.827 3.805 20 0 DHADLP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450362138 1029404260 /nfs/dbraw/zinc/40/42/60/1029404260.db2.gz QLDDQDMHVOVOLT-GFCCVEGCSA-N 2 2 321.827 3.805 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450379697 1029420084 /nfs/dbraw/zinc/42/00/84/1029420084.db2.gz OQXSKOCHJKYVSH-GJZGRUSLSA-N 2 2 311.420 3.908 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450379697 1029420097 /nfs/dbraw/zinc/42/00/97/1029420097.db2.gz OQXSKOCHJKYVSH-GJZGRUSLSA-N 2 2 311.420 3.908 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569285 1029428389 /nfs/dbraw/zinc/42/83/89/1029428389.db2.gz NPJIKTOBBQTTQU-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569285 1029428396 /nfs/dbraw/zinc/42/83/96/1029428396.db2.gz NPJIKTOBBQTTQU-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569285 1029428399 /nfs/dbraw/zinc/42/83/99/1029428399.db2.gz NPJIKTOBBQTTQU-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccsc2C(F)(F)F)C1 ZINC000529569285 1029428405 /nfs/dbraw/zinc/42/84/05/1029428405.db2.gz NPJIKTOBBQTTQU-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529639518 1029474537 /nfs/dbraw/zinc/47/45/37/1029474537.db2.gz GNAPXJPKCWVBMY-VQIMIIECSA-N 2 2 316.489 3.710 20 0 DHADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529639518 1029474548 /nfs/dbraw/zinc/47/45/48/1029474548.db2.gz GNAPXJPKCWVBMY-VQIMIIECSA-N 2 2 316.489 3.710 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC2CC2)C[C@@H]1C ZINC000450466899 1029496128 /nfs/dbraw/zinc/49/61/28/1029496128.db2.gz KDBQZYJRSQBRIJ-DOTOQJQBSA-N 2 2 302.462 3.532 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC2CC2)C[C@@H]1C ZINC000450466899 1029496134 /nfs/dbraw/zinc/49/61/34/1029496134.db2.gz KDBQZYJRSQBRIJ-DOTOQJQBSA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OC2CC2)C[C@@H]1C ZINC000450466899 1029496139 /nfs/dbraw/zinc/49/61/39/1029496139.db2.gz KDBQZYJRSQBRIJ-DOTOQJQBSA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OC2CC2)C[C@@H]1C ZINC000450466899 1029496147 /nfs/dbraw/zinc/49/61/47/1029496147.db2.gz KDBQZYJRSQBRIJ-DOTOQJQBSA-N 2 2 302.462 3.532 20 0 DHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1Cl ZINC000450468035 1029499432 /nfs/dbraw/zinc/49/94/32/1029499432.db2.gz FODAQVKQCCLFCB-HNNXBMFYSA-N 2 2 303.837 3.818 20 0 DHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c(C)cccc1Cl ZINC000450468035 1029499438 /nfs/dbraw/zinc/49/94/38/1029499438.db2.gz FODAQVKQCCLFCB-HNNXBMFYSA-N 2 2 303.837 3.818 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450632122 1029589477 /nfs/dbraw/zinc/58/94/77/1029589477.db2.gz LGTFDKOVVHBYKC-GJZGRUSLSA-N 2 2 311.420 3.500 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000450632122 1029589480 /nfs/dbraw/zinc/58/94/80/1029589480.db2.gz LGTFDKOVVHBYKC-GJZGRUSLSA-N 2 2 311.420 3.500 20 0 DHADLP CCCC[C@@H](COC)[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000121303377 1029669025 /nfs/dbraw/zinc/66/90/25/1029669025.db2.gz OBGYAIPRQGCBNB-KRWDZBQOSA-N 2 2 310.507 3.507 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(OC(F)(F)F)c1 ZINC000530220535 1029782134 /nfs/dbraw/zinc/78/21/34/1029782134.db2.gz OJAHYMFQRXOMDY-FZMZJTMJSA-N 2 2 314.351 3.520 20 0 DHADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000121796822 1029840543 /nfs/dbraw/zinc/84/05/43/1029840543.db2.gz PSQJPZVSDOWGHS-MRXNPFEDSA-N 2 2 308.853 3.546 20 0 DHADLP CC(C)(C)c1csc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000865636636 1029954710 /nfs/dbraw/zinc/95/47/10/1029954710.db2.gz ZLTALIZEFFVKCI-OAHLLOKOSA-N 2 2 321.534 3.652 20 0 DHADLP CC(C)(C)c1csc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000865636636 1029954713 /nfs/dbraw/zinc/95/47/13/1029954713.db2.gz ZLTALIZEFFVKCI-OAHLLOKOSA-N 2 2 321.534 3.652 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3F)CC2)cc1 ZINC000865697177 1029978287 /nfs/dbraw/zinc/97/82/87/1029978287.db2.gz UOMXORGGOWOBCJ-RBUKOAKNSA-N 2 2 319.468 3.592 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccccc1 ZINC000924530808 1030115933 /nfs/dbraw/zinc/11/59/33/1030115933.db2.gz BPJHQEQCAHOACW-OTBHMBEGSA-N 2 2 316.489 3.617 20 0 DHADLP CCSc1ccccc1C[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000924535122 1030117029 /nfs/dbraw/zinc/11/70/29/1030117029.db2.gz URLZFNZIKYKJCN-HNNXBMFYSA-N 2 2 303.475 3.606 20 0 DHADLP CC(C)c1ccc([C@@H]([NH2+]CCC[NH+](C)C)c2cccnc2)cc1 ZINC000924538116 1030117084 /nfs/dbraw/zinc/11/70/84/1030117084.db2.gz FNGGEOQTZDIROE-HXUWFJFHSA-N 2 2 311.473 3.836 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656159 1030141858 /nfs/dbraw/zinc/14/18/58/1030141858.db2.gz ZIQUSZDPLNRSMY-PBHICJAKSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656159 1030141864 /nfs/dbraw/zinc/14/18/64/1030141864.db2.gz ZIQUSZDPLNRSMY-PBHICJAKSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656159 1030141870 /nfs/dbraw/zinc/14/18/70/1030141870.db2.gz ZIQUSZDPLNRSMY-PBHICJAKSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000290656159 1030141878 /nfs/dbraw/zinc/14/18/78/1030141878.db2.gz ZIQUSZDPLNRSMY-PBHICJAKSA-N 2 2 315.486 3.582 20 0 DHADLP CCSc1ccccc1C[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000924647067 1030150473 /nfs/dbraw/zinc/15/04/73/1030150473.db2.gz CPNDOYNHNINPHO-CABCVRRESA-N 2 2 303.475 3.604 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000924651630 1030152651 /nfs/dbraw/zinc/15/26/51/1030152651.db2.gz ZKEOPQVGLCXAFG-UWJYYQICSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000924651630 1030152655 /nfs/dbraw/zinc/15/26/55/1030152655.db2.gz ZKEOPQVGLCXAFG-UWJYYQICSA-N 2 2 321.468 3.553 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccn1 ZINC000866225471 1030166938 /nfs/dbraw/zinc/16/69/38/1030166938.db2.gz ZMTWTIMYFFPYGZ-HXUWFJFHSA-N 2 2 320.440 3.813 20 0 DHADLP CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCC)C1)c1ncccc1Cl ZINC000924755343 1030179106 /nfs/dbraw/zinc/17/91/06/1030179106.db2.gz WATBOCUVLLGASS-GDBMZVCRSA-N 2 2 309.885 3.898 20 0 DHADLP CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCC)C1)c1ncccc1Cl ZINC000924755343 1030179109 /nfs/dbraw/zinc/17/91/09/1030179109.db2.gz WATBOCUVLLGASS-GDBMZVCRSA-N 2 2 309.885 3.898 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000357784708 1030188022 /nfs/dbraw/zinc/18/80/22/1030188022.db2.gz NPLLZBRMMNLOHE-KRWDZBQOSA-N 2 2 320.440 3.528 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866273401 1030194752 /nfs/dbraw/zinc/19/47/52/1030194752.db2.gz LNIHXTMDECIOTK-SRVKXCTJSA-N 2 2 307.825 3.615 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866273401 1030194760 /nfs/dbraw/zinc/19/47/60/1030194760.db2.gz LNIHXTMDECIOTK-SRVKXCTJSA-N 2 2 307.825 3.615 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866404523 1030282877 /nfs/dbraw/zinc/28/28/77/1030282877.db2.gz SJKFAYCPSHOENW-GJZGRUSLSA-N 2 2 301.459 3.666 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c2ccccn2)cc1 ZINC000925222012 1030307064 /nfs/dbraw/zinc/30/70/64/1030307064.db2.gz PZSCUNRSNKOHOW-SBHAEUEKSA-N 2 2 323.484 3.942 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@@H+]([C@H]3C[C@H]3c3ccccc3)C2)n2c1CCCC2 ZINC000291057059 1030313686 /nfs/dbraw/zinc/31/36/86/1030313686.db2.gz CPLFXFFHDLIOEM-HOJAQTOUSA-N 2 2 321.468 3.955 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@H+]([C@H]3C[C@H]3c3ccccc3)C2)n2c1CCCC2 ZINC000291057059 1030313700 /nfs/dbraw/zinc/31/37/00/1030313700.db2.gz CPLFXFFHDLIOEM-HOJAQTOUSA-N 2 2 321.468 3.955 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(-c2cccnc2)cc1 ZINC000925528328 1030386102 /nfs/dbraw/zinc/38/61/02/1030386102.db2.gz DNISIVXMVANPPH-BEFAXECRSA-N 2 2 307.441 3.684 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(-c2cccnc2)cc1 ZINC000925528331 1030386249 /nfs/dbraw/zinc/38/62/49/1030386249.db2.gz DNISIVXMVANPPH-HNAYVOBHSA-N 2 2 307.441 3.684 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2[C@H](C)CC[C@@H]2C)CC1 ZINC000925594173 1030414454 /nfs/dbraw/zinc/41/44/54/1030414454.db2.gz PCPCJECGORSJTM-OLMMMNRUSA-N 2 2 301.478 3.631 20 0 DHADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1cc(C)ccc1OC ZINC000358282013 1030419398 /nfs/dbraw/zinc/41/93/98/1030419398.db2.gz DVJOBUDDDCBDBJ-SZMVWBNQSA-N 2 2 304.478 3.773 20 0 DHADLP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1cc(C)ccc1OC ZINC000358282013 1030419406 /nfs/dbraw/zinc/41/94/06/1030419406.db2.gz DVJOBUDDDCBDBJ-SZMVWBNQSA-N 2 2 304.478 3.773 20 0 DHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000866707474 1030428745 /nfs/dbraw/zinc/42/87/45/1030428745.db2.gz OVKMSJPGEATRKX-QGZVFWFLSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000866707474 1030428750 /nfs/dbraw/zinc/42/87/50/1030428750.db2.gz OVKMSJPGEATRKX-QGZVFWFLSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000866706742 1030429083 /nfs/dbraw/zinc/42/90/83/1030429083.db2.gz QSVAYQWMIFDTDS-QGZVFWFLSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000866706742 1030429088 /nfs/dbraw/zinc/42/90/88/1030429088.db2.gz QSVAYQWMIFDTDS-QGZVFWFLSA-N 2 2 319.474 3.600 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccccn2)c(C)c1 ZINC000358346092 1030448149 /nfs/dbraw/zinc/44/81/49/1030448149.db2.gz QGBCMAJEWYJHOX-YLJYHZDGSA-N 2 2 320.440 3.987 20 0 DHADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1ccc2ccccc2c1 ZINC000925698495 1030458667 /nfs/dbraw/zinc/45/86/67/1030458667.db2.gz FMLOUKAYYXXWPY-KCLUMXDGSA-N 2 2 324.468 3.634 20 0 DHADLP CCc1ccc([C@H](CC)[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925749835 1030479884 /nfs/dbraw/zinc/47/98/84/1030479884.db2.gz DJZQMJDKJMERQO-INIZCTEOSA-N 2 2 315.486 3.674 20 0 DHADLP CCc1ccc([C@H](CC)[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925749835 1030479888 /nfs/dbraw/zinc/47/98/88/1030479888.db2.gz DJZQMJDKJMERQO-INIZCTEOSA-N 2 2 315.486 3.674 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000558403806 1030560783 /nfs/dbraw/zinc/56/07/83/1030560783.db2.gz KEBLLUAQEQZMFN-MJJDPTRDSA-N 2 2 308.416 3.675 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000558403806 1030560790 /nfs/dbraw/zinc/56/07/90/1030560790.db2.gz KEBLLUAQEQZMFN-MJJDPTRDSA-N 2 2 308.416 3.675 20 0 DHADLP Cc1ccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c(C)c1 ZINC000558423940 1030572044 /nfs/dbraw/zinc/57/20/44/1030572044.db2.gz UZUYIZJIGCHCDR-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP Cc1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)c(C)c1 ZINC000558423940 1030572051 /nfs/dbraw/zinc/57/20/51/1030572051.db2.gz UZUYIZJIGCHCDR-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP Cc1[nH+]cn([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)c1CC[NH3+] ZINC001171062421 1030608460 /nfs/dbraw/zinc/60/84/60/1030608460.db2.gz IAWWPMSPQXLHRR-CYBMUJFWSA-N 2 2 324.255 3.730 20 0 DHADLP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246662439 1030642619 /nfs/dbraw/zinc/64/26/19/1030642619.db2.gz DLEZFPQCOFWBIW-GJZGRUSLSA-N 2 2 301.409 3.575 20 0 DHADLP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246662439 1030642625 /nfs/dbraw/zinc/64/26/25/1030642625.db2.gz DLEZFPQCOFWBIW-GJZGRUSLSA-N 2 2 301.409 3.575 20 0 DHADLP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000247004153 1030667526 /nfs/dbraw/zinc/66/75/26/1030667526.db2.gz KBGHSSGGBJIPFJ-MJGOQNOKSA-N 2 2 315.505 3.852 20 0 DHADLP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000247004153 1030667540 /nfs/dbraw/zinc/66/75/40/1030667540.db2.gz KBGHSSGGBJIPFJ-MJGOQNOKSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccoc1 ZINC000122361148 1030678766 /nfs/dbraw/zinc/67/87/66/1030678766.db2.gz OJENAWKFGVZYHR-OAHLLOKOSA-N 2 2 313.445 3.665 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000247331443 1030687437 /nfs/dbraw/zinc/68/74/37/1030687437.db2.gz MMDAFDHJYWODAZ-FUHIMQAGSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000247331443 1030687446 /nfs/dbraw/zinc/68/74/46/1030687446.db2.gz MMDAFDHJYWODAZ-FUHIMQAGSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926354192 1030708588 /nfs/dbraw/zinc/70/85/88/1030708588.db2.gz NTSQVLDLSZXKLN-QAPCUYQASA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccns1 ZINC000926354192 1030708597 /nfs/dbraw/zinc/70/85/97/1030708597.db2.gz NTSQVLDLSZXKLN-QAPCUYQASA-N 2 2 315.486 3.706 20 0 DHADLP CC1(C)Cc2occc2[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000359032479 1030743987 /nfs/dbraw/zinc/74/39/87/1030743987.db2.gz CWBNVLDBXUBTME-DQPZFDDXSA-N 2 2 302.462 3.900 20 0 DHADLP Cc1ccccc1C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000926449343 1030745835 /nfs/dbraw/zinc/74/58/35/1030745835.db2.gz FDLRXZWIQVZDNC-VQIMIIECSA-N 2 2 321.424 3.742 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000249161548 1030794156 /nfs/dbraw/zinc/79/41/56/1030794156.db2.gz ZXBXQGOJSWMAMD-NEWSRXKRSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000249161548 1030794170 /nfs/dbraw/zinc/79/41/70/1030794170.db2.gz ZXBXQGOJSWMAMD-NEWSRXKRSA-N 2 2 313.489 3.604 20 0 DHADLP Cc1cccc2c1[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)CC2 ZINC000926579538 1030805696 /nfs/dbraw/zinc/80/56/96/1030805696.db2.gz GMRQZOGIYBSVFE-ZJOUEHCJSA-N 2 2 321.468 3.660 20 0 DHADLP Cc1cccc2c1[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)CC2 ZINC000926579538 1030805718 /nfs/dbraw/zinc/80/57/18/1030805718.db2.gz GMRQZOGIYBSVFE-ZJOUEHCJSA-N 2 2 321.468 3.660 20 0 DHADLP Cc1[nH]c2ccc(-n3c4ccccc4c4c3C[C@@H]([NH3+])CC4)cc2[nH+]1 ZINC001171094618 1030886224 /nfs/dbraw/zinc/88/62/24/1030886224.db2.gz PXCHECXRAXHUPB-ZDUSSCGKSA-N 2 2 316.408 3.631 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000161602485 1030930677 /nfs/dbraw/zinc/93/06/77/1030930677.db2.gz YVDBRZIEGWUVJC-KRWDZBQOSA-N 2 2 306.425 3.503 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000359394423 1030942139 /nfs/dbraw/zinc/94/21/39/1030942139.db2.gz UAYJARNSCCGUMC-LJQANCHMSA-N 2 2 318.505 3.863 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)C2 ZINC001171112205 1031009357 /nfs/dbraw/zinc/00/93/57/1031009357.db2.gz TZSGZXPGOPNYDR-ZWKOTPCHSA-N 2 2 318.892 3.804 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC001171112205 1031009368 /nfs/dbraw/zinc/00/93/68/1031009368.db2.gz TZSGZXPGOPNYDR-ZWKOTPCHSA-N 2 2 318.892 3.804 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(OC(F)F)cc1 ZINC000359578811 1031043312 /nfs/dbraw/zinc/04/33/12/1031043312.db2.gz CFSPRZHSEIAYRW-HOCLYGCPSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(OC(F)F)cc1 ZINC000359578811 1031043327 /nfs/dbraw/zinc/04/33/27/1031043327.db2.gz CFSPRZHSEIAYRW-HOCLYGCPSA-N 2 2 312.404 3.813 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927032324 1031043408 /nfs/dbraw/zinc/04/34/08/1031043408.db2.gz ZPYGFURGFWZTNI-IJEWVQPXSA-N 2 2 301.459 3.807 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000359585827 1031045007 /nfs/dbraw/zinc/04/50/07/1031045007.db2.gz FZKJZLUKAFSKIR-WMZOPIPTSA-N 2 2 302.462 3.591 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000359585827 1031045024 /nfs/dbraw/zinc/04/50/24/1031045024.db2.gz FZKJZLUKAFSKIR-WMZOPIPTSA-N 2 2 302.462 3.591 20 0 DHADLP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccc(C(F)F)cc1 ZINC000261956006 1031080548 /nfs/dbraw/zinc/08/05/48/1031080548.db2.gz GPYIXONEKREIQC-UHFFFAOYSA-N 2 2 304.384 3.628 20 0 DHADLP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccc(C(F)F)cc1 ZINC000261956006 1031080580 /nfs/dbraw/zinc/08/05/80/1031080580.db2.gz GPYIXONEKREIQC-UHFFFAOYSA-N 2 2 304.384 3.628 20 0 DHADLP CCc1onc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000927137654 1031111776 /nfs/dbraw/zinc/11/17/76/1031111776.db2.gz AGCPNAPWOMAAOQ-RDTXWAMCSA-N 2 2 319.493 3.678 20 0 DHADLP CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927139493 1031114557 /nfs/dbraw/zinc/11/45/57/1031114557.db2.gz JQNFMPLRCKCSDK-ZDUSSCGKSA-N 2 2 310.401 3.582 20 0 DHADLP COc1cccc2cc([C@@H](C)[NH2+]CCCCn3cc[nH+]c3)oc21 ZINC000321404532 1031122617 /nfs/dbraw/zinc/12/26/17/1031122617.db2.gz IMJIUTAJQAVXHG-CQSZACIVSA-N 2 2 313.401 3.769 20 0 DHADLP CCSc1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000533784591 1031283771 /nfs/dbraw/zinc/28/37/71/1031283771.db2.gz NNMVTGLENDVHCT-PBHICJAKSA-N 2 2 324.559 3.887 20 0 DHADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCOC1 ZINC000872017597 1031400479 /nfs/dbraw/zinc/40/04/79/1031400479.db2.gz CRIFOKCJEQJMCM-SUMDDJOVSA-N 2 2 313.445 3.728 20 0 DHADLP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000536841888 1031451162 /nfs/dbraw/zinc/45/11/62/1031451162.db2.gz ZGNCYEBYPXWHOL-GPMSIDNRSA-N 2 2 301.478 3.775 20 0 DHADLP Cc1sccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000293384934 1031451653 /nfs/dbraw/zinc/45/16/53/1031451653.db2.gz WNYLVDVNXXFQTR-AWEZNQCLSA-N 2 2 315.486 3.767 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)co2)cc1 ZINC000872251107 1031561260 /nfs/dbraw/zinc/56/12/60/1031561260.db2.gz GICFJUGYDOQNOZ-MRXNPFEDSA-N 2 2 313.445 3.518 20 0 DHADLP Cc1cc2[nH]c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc2c(C)c1 ZINC000360883069 1031601762 /nfs/dbraw/zinc/60/17/62/1031601762.db2.gz LQWSZYUYKBCNSR-UHFFFAOYSA-N 2 2 308.429 3.887 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)C[C@@H]1C ZINC000929782985 1031609222 /nfs/dbraw/zinc/60/92/22/1031609222.db2.gz XXUQYVZMYMQJSF-DOTOQJQBSA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)C[C@@H]1C ZINC000929782985 1031609228 /nfs/dbraw/zinc/60/92/28/1031609228.db2.gz XXUQYVZMYMQJSF-DOTOQJQBSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)o2)C[C@@H]1C ZINC000929782985 1031609232 /nfs/dbraw/zinc/60/92/32/1031609232.db2.gz XXUQYVZMYMQJSF-DOTOQJQBSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)o2)C[C@@H]1C ZINC000929782985 1031609238 /nfs/dbraw/zinc/60/92/38/1031609238.db2.gz XXUQYVZMYMQJSF-DOTOQJQBSA-N 2 2 313.445 3.646 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000293803017 1031633356 /nfs/dbraw/zinc/63/33/56/1031633356.db2.gz VAZUKZMAADMJQC-RCOXNQKVSA-N 2 2 324.468 3.534 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000293803017 1031633359 /nfs/dbraw/zinc/63/33/59/1031633359.db2.gz VAZUKZMAADMJQC-RCOXNQKVSA-N 2 2 324.468 3.534 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2c(c1)COC2 ZINC000361015038 1031678005 /nfs/dbraw/zinc/67/80/05/1031678005.db2.gz YNUIGVAMKJNVNO-OAHLLOKOSA-N 2 2 311.429 3.655 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873231216 1031764096 /nfs/dbraw/zinc/76/40/96/1031764096.db2.gz LFLVKEBVFXEHFA-LEWJYISDSA-N 2 2 322.452 3.736 20 0 DHADLP c1noc(C2CC2)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000361241698 1031808781 /nfs/dbraw/zinc/80/87/81/1031808781.db2.gz XCHXAXOFOZMUPO-MRXNPFEDSA-N 2 2 317.477 3.640 20 0 DHADLP c1noc(C2CC2)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000361241698 1031808790 /nfs/dbraw/zinc/80/87/90/1031808790.db2.gz XCHXAXOFOZMUPO-MRXNPFEDSA-N 2 2 317.477 3.640 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361378549 1031897400 /nfs/dbraw/zinc/89/74/00/1031897400.db2.gz RRSJEIQRKBHGFO-RTBURBONSA-N 2 2 308.425 3.789 20 0 DHADLP CCn1nc(C)c([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1C ZINC000361482536 1031948513 /nfs/dbraw/zinc/94/85/13/1031948513.db2.gz XTEBDYGOPFPMAV-AWEZNQCLSA-N 2 2 323.444 3.556 20 0 DHADLP CCn1nc(C)c([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1C ZINC000361482546 1031948854 /nfs/dbraw/zinc/94/88/54/1031948854.db2.gz XTEBDYGOPFPMAV-CQSZACIVSA-N 2 2 323.444 3.556 20 0 DHADLP COc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361495616 1031957709 /nfs/dbraw/zinc/95/77/09/1031957709.db2.gz GFBHQFMDEXHMND-LJQANCHMSA-N 2 2 319.408 3.658 20 0 DHADLP CC1(C)CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC(C)(C)O1 ZINC001172644315 1033302536 /nfs/dbraw/zinc/30/25/36/1033302536.db2.gz NOQJXYOCHXCBCT-UHFFFAOYSA-N 2 2 313.445 3.698 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@H]21 ZINC001172824949 1033385839 /nfs/dbraw/zinc/38/58/39/1033385839.db2.gz LUVOTKQQBBAWBP-GOLJUSPKSA-N 2 2 312.501 3.814 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@H]21 ZINC001172824949 1033385873 /nfs/dbraw/zinc/38/58/73/1033385873.db2.gz LUVOTKQQBBAWBP-GOLJUSPKSA-N 2 2 312.501 3.814 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(Cc4ccccc4)CC3)C[C@H]21 ZINC001172824949 1033385886 /nfs/dbraw/zinc/38/58/86/1033385886.db2.gz LUVOTKQQBBAWBP-GOLJUSPKSA-N 2 2 312.501 3.814 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@H]21 ZINC001172824949 1033385897 /nfs/dbraw/zinc/38/58/97/1033385897.db2.gz LUVOTKQQBBAWBP-GOLJUSPKSA-N 2 2 312.501 3.814 20 0 DHADLP CC[N@H+]([C@H](C)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001172867280 1033407271 /nfs/dbraw/zinc/40/72/71/1033407271.db2.gz MCKZQTAIPZJRCX-CYBMUJFWSA-N 2 2 312.860 3.826 20 0 DHADLP CC[N@@H+]([C@H](C)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001172867280 1033407274 /nfs/dbraw/zinc/40/72/74/1033407274.db2.gz MCKZQTAIPZJRCX-CYBMUJFWSA-N 2 2 312.860 3.826 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C[NH+]1CCC(C)CC1)CC2 ZINC001172843958 1033414106 /nfs/dbraw/zinc/41/41/06/1033414106.db2.gz VLWMQKLCFVZNST-YLJYHZDGSA-N 2 2 300.490 3.562 20 0 DHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844028 1033414403 /nfs/dbraw/zinc/41/44/03/1033414403.db2.gz AMRLCLGKKULLTF-KGLIPLIRSA-N 2 2 312.860 3.730 20 0 DHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844028 1033414417 /nfs/dbraw/zinc/41/44/17/1033414417.db2.gz AMRLCLGKKULLTF-KGLIPLIRSA-N 2 2 312.860 3.730 20 0 DHADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172844743 1033414888 /nfs/dbraw/zinc/41/48/88/1033414888.db2.gz DQITYTMTIRCCNC-HIFRSBDPSA-N 2 2 324.871 3.874 20 0 DHADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172844743 1033414899 /nfs/dbraw/zinc/41/48/99/1033414899.db2.gz DQITYTMTIRCCNC-HIFRSBDPSA-N 2 2 324.871 3.874 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)Cc1c(F)cccc1Cl ZINC001172860949 1033431367 /nfs/dbraw/zinc/43/13/67/1033431367.db2.gz IPJVMFUGUXOXBZ-CYBMUJFWSA-N 2 2 309.816 3.629 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)Cc1c(F)cccc1Cl ZINC001172860949 1033431371 /nfs/dbraw/zinc/43/13/71/1033431371.db2.gz IPJVMFUGUXOXBZ-CYBMUJFWSA-N 2 2 309.816 3.629 20 0 DHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000877743967 1033431931 /nfs/dbraw/zinc/43/19/31/1033431931.db2.gz ZCLYZECNQYLXJM-HIFRSBDPSA-N 2 2 312.429 3.527 20 0 DHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000877743967 1033431939 /nfs/dbraw/zinc/43/19/39/1033431939.db2.gz ZCLYZECNQYLXJM-HIFRSBDPSA-N 2 2 312.429 3.527 20 0 DHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000877743967 1033431946 /nfs/dbraw/zinc/43/19/46/1033431946.db2.gz ZCLYZECNQYLXJM-HIFRSBDPSA-N 2 2 312.429 3.527 20 0 DHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000877743967 1033431956 /nfs/dbraw/zinc/43/19/56/1033431956.db2.gz ZCLYZECNQYLXJM-HIFRSBDPSA-N 2 2 312.429 3.527 20 0 DHADLP CN(C)c1ccc[nH+]c1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001212689982 1033462170 /nfs/dbraw/zinc/46/21/70/1033462170.db2.gz PAEYRUYFIKTOBF-UHFFFAOYSA-N 2 2 310.445 3.700 20 0 DHADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)C1 ZINC001172919759 1033466544 /nfs/dbraw/zinc/46/65/44/1033466544.db2.gz XDMNFMGVZNIUGO-XRXFAXGQSA-N 2 2 324.468 3.975 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3ccc(Cl)cc3n2)CC[N@@H+]1C ZINC000878163821 1033603477 /nfs/dbraw/zinc/60/34/77/1033603477.db2.gz XAXNQAYVWRJZNT-SUMWQHHRSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc3ccc(Cl)cc3n2)CC[N@H+]1C ZINC000878163821 1033603484 /nfs/dbraw/zinc/60/34/84/1033603484.db2.gz XAXNQAYVWRJZNT-SUMWQHHRSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3ccc(Cl)cc3n2)CC[NH+]1C ZINC000878163821 1033603490 /nfs/dbraw/zinc/60/34/90/1033603490.db2.gz XAXNQAYVWRJZNT-SUMWQHHRSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3ccc(Cl)cc3n2)CC[NH+]1C ZINC000878163821 1033603498 /nfs/dbraw/zinc/60/34/98/1033603498.db2.gz XAXNQAYVWRJZNT-SUMWQHHRSA-N 2 2 317.864 3.803 20 0 DHADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)O3)CC2)[nH]1 ZINC000878172728 1033611994 /nfs/dbraw/zinc/61/19/94/1033611994.db2.gz LNVDJPKDBUZEGY-ROUUACIJSA-N 2 2 311.429 3.509 20 0 DHADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+][C@@H](C)C[NH+](C)C ZINC001173541395 1033760021 /nfs/dbraw/zinc/76/00/21/1033760021.db2.gz ARSYPNYXMFGTNQ-RYUDHWBXSA-N 2 2 303.277 3.854 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000479430451 1033760195 /nfs/dbraw/zinc/76/01/95/1033760195.db2.gz XOTFPTFCTPCHLG-DZGCQCFKSA-N 2 2 308.416 3.502 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCCCc2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000479430451 1033760203 /nfs/dbraw/zinc/76/02/03/1033760203.db2.gz XOTFPTFCTPCHLG-DZGCQCFKSA-N 2 2 308.416 3.502 20 0 DHADLP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC(C)(C)[NH+](C)C)cc1F ZINC000479871229 1033930215 /nfs/dbraw/zinc/93/02/15/1033930215.db2.gz CYCDUZLKIRSWKJ-WBVHZDCISA-N 2 2 322.468 3.790 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000480089563 1034056883 /nfs/dbraw/zinc/05/68/83/1034056883.db2.gz SYEYPROVFGQYFC-OCCSQVGLSA-N 2 2 316.367 3.720 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000480089563 1034056895 /nfs/dbraw/zinc/05/68/95/1034056895.db2.gz SYEYPROVFGQYFC-OCCSQVGLSA-N 2 2 316.367 3.720 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC001174038877 1034093324 /nfs/dbraw/zinc/09/33/24/1034093324.db2.gz QZJWHEARSDHULS-UHFFFAOYSA-N 2 2 300.365 3.894 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000480152148 1034096833 /nfs/dbraw/zinc/09/68/33/1034096833.db2.gz XOOJBHVRAYYYGS-AWEZNQCLSA-N 2 2 310.869 3.875 20 0 DHADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000863545937 1034127480 /nfs/dbraw/zinc/12/74/80/1034127480.db2.gz BQZXRGMJKCFCET-VQISRLSMSA-N 2 2 312.429 3.719 20 0 DHADLP c1cn(Cc2cccc(-c3ccc(C[C@@H]4CC[NH2+]C4)cc3)c2)c[nH+]1 ZINC000863690175 1034175612 /nfs/dbraw/zinc/17/56/12/1034175612.db2.gz MEHVAYGJAVMTJF-SFHVURJKSA-N 2 2 317.436 3.750 20 0 DHADLP Cc1cc2c(c(-c3cccc(Cn4cc[nH+]c4)c3)c1)CC[NH2+]C2 ZINC000863689671 1034176241 /nfs/dbraw/zinc/17/62/41/1034176241.db2.gz CZNLQEFIYFFBQD-UHFFFAOYSA-N 2 2 303.409 3.553 20 0 DHADLP C[C@@H](c1ccccn1)[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880021998 1034189564 /nfs/dbraw/zinc/18/95/64/1034189564.db2.gz JYAAIEAXDNMKHP-HFSMHLIXSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H](c1ccccn1)[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880021998 1034189567 /nfs/dbraw/zinc/18/95/67/1034189567.db2.gz JYAAIEAXDNMKHP-HFSMHLIXSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H](c1ccccn1)[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880021998 1034189574 /nfs/dbraw/zinc/18/95/74/1034189574.db2.gz JYAAIEAXDNMKHP-HFSMHLIXSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H](c1ccccn1)[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880021998 1034189581 /nfs/dbraw/zinc/18/95/81/1034189581.db2.gz JYAAIEAXDNMKHP-HFSMHLIXSA-N 2 2 321.468 3.597 20 0 DHADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136289 1034219455 /nfs/dbraw/zinc/21/94/55/1034219455.db2.gz JLTRCTSOZFQLRJ-NEXFUWMNSA-N 2 2 304.400 3.524 20 0 DHADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136289 1034219468 /nfs/dbraw/zinc/21/94/68/1034219468.db2.gz JLTRCTSOZFQLRJ-NEXFUWMNSA-N 2 2 304.400 3.524 20 0 DHADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136289 1034219485 /nfs/dbraw/zinc/21/94/85/1034219485.db2.gz JLTRCTSOZFQLRJ-NEXFUWMNSA-N 2 2 304.400 3.524 20 0 DHADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136289 1034219497 /nfs/dbraw/zinc/21/94/97/1034219497.db2.gz JLTRCTSOZFQLRJ-NEXFUWMNSA-N 2 2 304.400 3.524 20 0 DHADLP Cc1[nH]c2ccccc2c1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183164522 1034357959 /nfs/dbraw/zinc/35/79/59/1034357959.db2.gz XLSYEFOYXUOWPP-UHFFFAOYSA-N 2 2 322.456 3.943 20 0 DHADLP Cc1cc(C)c(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000880570389 1034362568 /nfs/dbraw/zinc/36/25/68/1034362568.db2.gz VYYAKHPKJYPDQH-FQEVSTJZSA-N 2 2 320.440 3.734 20 0 DHADLP COc1ccc(C)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569201 1034362808 /nfs/dbraw/zinc/36/28/08/1034362808.db2.gz JQQJJNGOTPBSEI-IBGZPJMESA-N 2 2 321.424 3.731 20 0 DHADLP Cc1cc(C)c(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000880570590 1034363663 /nfs/dbraw/zinc/36/36/63/1034363663.db2.gz VYYAKHPKJYPDQH-HXUWFJFHSA-N 2 2 320.440 3.734 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886423 1034388627 /nfs/dbraw/zinc/38/86/27/1034388627.db2.gz KAXBNMMBJLWBKX-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886423 1034388636 /nfs/dbraw/zinc/38/86/36/1034388636.db2.gz KAXBNMMBJLWBKX-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886423 1034388638 /nfs/dbraw/zinc/38/86/38/1034388638.db2.gz KAXBNMMBJLWBKX-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886423 1034388644 /nfs/dbraw/zinc/38/86/44/1034388644.db2.gz KAXBNMMBJLWBKX-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886421 1034390820 /nfs/dbraw/zinc/39/08/20/1034390820.db2.gz KAXBNMMBJLWBKX-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886421 1034390833 /nfs/dbraw/zinc/39/08/33/1034390833.db2.gz KAXBNMMBJLWBKX-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886421 1034390841 /nfs/dbraw/zinc/39/08/41/1034390841.db2.gz KAXBNMMBJLWBKX-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886421 1034390851 /nfs/dbraw/zinc/39/08/51/1034390851.db2.gz KAXBNMMBJLWBKX-DGCLKSJQSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCN(c2ccc(Nc3cccc4cc[nH+]cc43)cc2)CC1 ZINC001174816434 1034616258 /nfs/dbraw/zinc/61/62/58/1034616258.db2.gz WKYRZNXGRSIQLC-UHFFFAOYSA-N 2 2 318.424 3.730 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000555364298 1034654817 /nfs/dbraw/zinc/65/48/17/1034654817.db2.gz GNULGKJCGOYDCU-MJGOQNOKSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000555364298 1034654823 /nfs/dbraw/zinc/65/48/23/1034654823.db2.gz GNULGKJCGOYDCU-MJGOQNOKSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000555364298 1034654826 /nfs/dbraw/zinc/65/48/26/1034654826.db2.gz GNULGKJCGOYDCU-MJGOQNOKSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc1 ZINC000555364298 1034654828 /nfs/dbraw/zinc/65/48/28/1034654828.db2.gz GNULGKJCGOYDCU-MJGOQNOKSA-N 2 2 315.505 3.730 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000481718078 1034950870 /nfs/dbraw/zinc/95/08/70/1034950870.db2.gz MAIDBGSZVUXDFB-VQIMIIECSA-N 2 2 310.441 3.909 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000481718078 1034950878 /nfs/dbraw/zinc/95/08/78/1034950878.db2.gz MAIDBGSZVUXDFB-VQIMIIECSA-N 2 2 310.441 3.909 20 0 DHADLP Clc1ccccc1O[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000162029461 1034994671 /nfs/dbraw/zinc/99/46/71/1034994671.db2.gz CMFIPZKQFHBGSC-MRXNPFEDSA-N 2 2 322.880 3.669 20 0 DHADLP Clc1ccccc1O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000162029461 1034994672 /nfs/dbraw/zinc/99/46/72/1034994672.db2.gz CMFIPZKQFHBGSC-MRXNPFEDSA-N 2 2 322.880 3.669 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001175503738 1035013855 /nfs/dbraw/zinc/01/38/55/1035013855.db2.gz QQKFDIQAIHHVRU-SFHVURJKSA-N 2 2 301.409 3.542 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001175503738 1035013864 /nfs/dbraw/zinc/01/38/64/1035013864.db2.gz QQKFDIQAIHHVRU-SFHVURJKSA-N 2 2 301.409 3.542 20 0 DHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000482242852 1035071822 /nfs/dbraw/zinc/07/18/22/1035071822.db2.gz KPTPYCCOPVDBTC-AEFFLSMTSA-N 2 2 312.457 3.601 20 0 DHADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000482242852 1035071831 /nfs/dbraw/zinc/07/18/31/1035071831.db2.gz KPTPYCCOPVDBTC-AEFFLSMTSA-N 2 2 312.457 3.601 20 0 DHADLP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000482244601 1035072043 /nfs/dbraw/zinc/07/20/43/1035072043.db2.gz IMNGTZJTZGWMDV-LIRRHRJNSA-N 2 2 313.420 3.936 20 0 DHADLP Cc1cc(C)cc(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000668067187 1035129652 /nfs/dbraw/zinc/12/96/52/1035129652.db2.gz FWOWRHYTMPTELJ-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP Cc1cc(C)cc(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000668067187 1035129657 /nfs/dbraw/zinc/12/96/57/1035129657.db2.gz FWOWRHYTMPTELJ-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000482830174 1035184319 /nfs/dbraw/zinc/18/43/19/1035184319.db2.gz VEWLKZILOCLWHA-XJKSGUPXSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000482830174 1035184322 /nfs/dbraw/zinc/18/43/22/1035184322.db2.gz VEWLKZILOCLWHA-XJKSGUPXSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000482830174 1035184326 /nfs/dbraw/zinc/18/43/26/1035184326.db2.gz VEWLKZILOCLWHA-XJKSGUPXSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2OC)[C@@H](C)C1 ZINC000482830174 1035184330 /nfs/dbraw/zinc/18/43/30/1035184330.db2.gz VEWLKZILOCLWHA-XJKSGUPXSA-N 2 2 310.869 3.511 20 0 DHADLP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1cccs1 ZINC000668174041 1035205309 /nfs/dbraw/zinc/20/53/09/1035205309.db2.gz BRCMPHNSEXECOZ-QGZVFWFLSA-N 2 2 324.453 3.912 20 0 DHADLP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1cccs1 ZINC000668174041 1035205312 /nfs/dbraw/zinc/20/53/12/1035205312.db2.gz BRCMPHNSEXECOZ-QGZVFWFLSA-N 2 2 324.453 3.912 20 0 DHADLP C[C@@H](CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000194590062 1035222528 /nfs/dbraw/zinc/22/25/28/1035222528.db2.gz OZDWEOVMAPOJGS-ZWKOTPCHSA-N 2 2 311.473 3.868 20 0 DHADLP C[C@@H](CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000194590062 1035222531 /nfs/dbraw/zinc/22/25/31/1035222531.db2.gz OZDWEOVMAPOJGS-ZWKOTPCHSA-N 2 2 311.473 3.868 20 0 DHADLP CO[C@H](C)[C@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000484139642 1035320298 /nfs/dbraw/zinc/32/02/98/1035320298.db2.gz UDGLHZWWQWIXJQ-GVDBMIGSSA-N 2 2 304.478 3.663 20 0 DHADLP CC(C)(C)[PH+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001176836483 1035332686 /nfs/dbraw/zinc/33/26/86/1035332686.db2.gz QBTXBNXHVVKVDV-UHFFFAOYSA-N 2 2 311.410 3.537 20 0 DHADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)[C@@H](C)C1 ZINC000484473905 1035344073 /nfs/dbraw/zinc/34/40/73/1035344073.db2.gz JBPDVEJLAQLWNS-FTRWYGJKSA-N 2 2 309.457 3.739 20 0 DHADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)[C@@H](C)C1 ZINC000484473905 1035344076 /nfs/dbraw/zinc/34/40/76/1035344076.db2.gz JBPDVEJLAQLWNS-FTRWYGJKSA-N 2 2 309.457 3.739 20 0 DHADLP Cc1cccc(OCCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001177142631 1035352343 /nfs/dbraw/zinc/35/23/43/1035352343.db2.gz IVAWMFYIIWQDCN-UHFFFAOYSA-N 2 2 321.424 3.739 20 0 DHADLP COc1ccccc1/C=C\C[NH2+]CCCCNc1cccc[nH+]1 ZINC001177655141 1035387336 /nfs/dbraw/zinc/38/73/36/1035387336.db2.gz CAOHRYQLZPXCOM-NTMALXAHSA-N 2 2 311.429 3.585 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+](CCC(F)(F)F)Cc1ccccc1 ZINC000484807504 1035404966 /nfs/dbraw/zinc/40/49/66/1035404966.db2.gz MUEZMXGBIYGJNF-INIZCTEOSA-N 2 2 314.395 3.925 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+](CCC(F)(F)F)Cc1ccccc1 ZINC000484807504 1035404967 /nfs/dbraw/zinc/40/49/67/1035404967.db2.gz MUEZMXGBIYGJNF-INIZCTEOSA-N 2 2 314.395 3.925 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484807504 1035404968 /nfs/dbraw/zinc/40/49/68/1035404968.db2.gz MUEZMXGBIYGJNF-INIZCTEOSA-N 2 2 314.395 3.925 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484807504 1035404971 /nfs/dbraw/zinc/40/49/71/1035404971.db2.gz MUEZMXGBIYGJNF-INIZCTEOSA-N 2 2 314.395 3.925 20 0 DHADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001192974834 1035533194 /nfs/dbraw/zinc/53/31/94/1035533194.db2.gz AUVBTFWWUAGNQB-PMACEKPBSA-N 2 2 318.505 3.650 20 0 DHADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001192974834 1035533202 /nfs/dbraw/zinc/53/32/02/1035533202.db2.gz AUVBTFWWUAGNQB-PMACEKPBSA-N 2 2 318.505 3.650 20 0 DHADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001192974834 1035533206 /nfs/dbraw/zinc/53/32/06/1035533206.db2.gz AUVBTFWWUAGNQB-PMACEKPBSA-N 2 2 318.505 3.650 20 0 DHADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001192974834 1035533213 /nfs/dbraw/zinc/53/32/13/1035533213.db2.gz AUVBTFWWUAGNQB-PMACEKPBSA-N 2 2 318.505 3.650 20 0 DHADLP CCSc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000189595597 1035553248 /nfs/dbraw/zinc/55/32/48/1035553248.db2.gz FHERMLWEJNCFLP-UHFFFAOYSA-N 2 2 324.453 3.669 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000078912857 1035606096 /nfs/dbraw/zinc/60/60/96/1035606096.db2.gz KVKRBVRPQHQKTQ-ZDUSSCGKSA-N 2 2 315.417 3.929 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000193250083 1035855550 /nfs/dbraw/zinc/85/55/50/1035855550.db2.gz KUQZUBWTSZVIOD-ZDUSSCGKSA-N 2 2 315.288 3.810 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000193250083 1035855567 /nfs/dbraw/zinc/85/55/67/1035855567.db2.gz KUQZUBWTSZVIOD-ZDUSSCGKSA-N 2 2 315.288 3.810 20 0 DHADLP CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001194189160 1035870279 /nfs/dbraw/zinc/87/02/79/1035870279.db2.gz CCUSMPGRHNPRTJ-MSOLQXFVSA-N 2 2 315.486 3.945 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001181436279 1035923074 /nfs/dbraw/zinc/92/30/74/1035923074.db2.gz OLEQBHHLTXBZGB-GPMSIDNRSA-N 2 2 318.505 3.897 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001181436279 1035923089 /nfs/dbraw/zinc/92/30/89/1035923089.db2.gz OLEQBHHLTXBZGB-GPMSIDNRSA-N 2 2 318.505 3.897 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906598784 1036028705 /nfs/dbraw/zinc/02/87/05/1036028705.db2.gz ZSUZWCVADGDZLW-ZWKOTPCHSA-N 2 2 302.437 3.632 20 0 DHADLP CCC[C@@H](CC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540788804 1036155297 /nfs/dbraw/zinc/15/52/97/1036155297.db2.gz GMSRSJJXBOEUJA-OAHLLOKOSA-N 2 2 304.482 3.603 20 0 DHADLP CC(C)CCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495061355 1036203201 /nfs/dbraw/zinc/20/32/01/1036203201.db2.gz CKYATWGQGDSYRN-AZUAARDMSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495061355 1036203222 /nfs/dbraw/zinc/20/32/22/1036203222.db2.gz CKYATWGQGDSYRN-AZUAARDMSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495061355 1036203244 /nfs/dbraw/zinc/20/32/44/1036203244.db2.gz CKYATWGQGDSYRN-AZUAARDMSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000495061355 1036203263 /nfs/dbraw/zinc/20/32/63/1036203263.db2.gz CKYATWGQGDSYRN-AZUAARDMSA-N 2 2 316.489 3.638 20 0 DHADLP Cc1ccc(-c2ccc(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@H]43)o2)cc1 ZINC000495110371 1036260102 /nfs/dbraw/zinc/26/01/02/1036260102.db2.gz SNPLSDFFVPOFAO-QFBILLFUSA-N 2 2 310.441 3.781 20 0 DHADLP Cc1ccc(-c2ccc(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@H]43)o2)cc1 ZINC000495110371 1036260110 /nfs/dbraw/zinc/26/01/10/1036260110.db2.gz SNPLSDFFVPOFAO-QFBILLFUSA-N 2 2 310.441 3.781 20 0 DHADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)o2)cc1 ZINC000495110371 1036260119 /nfs/dbraw/zinc/26/01/19/1036260119.db2.gz SNPLSDFFVPOFAO-QFBILLFUSA-N 2 2 310.441 3.781 20 0 DHADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@H]43)o2)cc1 ZINC000495110371 1036260135 /nfs/dbraw/zinc/26/01/35/1036260135.db2.gz SNPLSDFFVPOFAO-QFBILLFUSA-N 2 2 310.441 3.781 20 0 DHADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001168478597 1036299003 /nfs/dbraw/zinc/29/90/03/1036299003.db2.gz GIIDKMIOARBOCY-HNNXBMFYSA-N 2 2 314.404 3.695 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001182845954 1036459849 /nfs/dbraw/zinc/45/98/49/1036459849.db2.gz YLKWZQRQRAATRK-GOEBONIOSA-N 2 2 306.519 3.802 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001182845954 1036459861 /nfs/dbraw/zinc/45/98/61/1036459861.db2.gz YLKWZQRQRAATRK-GOEBONIOSA-N 2 2 306.519 3.802 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC001182854808 1036466025 /nfs/dbraw/zinc/46/60/25/1036466025.db2.gz LMTRPCBZDXUJQI-KBAYOESNSA-N 2 2 316.489 3.695 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)C1 ZINC001182854808 1036466036 /nfs/dbraw/zinc/46/60/36/1036466036.db2.gz LMTRPCBZDXUJQI-KBAYOESNSA-N 2 2 316.489 3.695 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC001182854810 1036467061 /nfs/dbraw/zinc/46/70/61/1036467061.db2.gz LMTRPCBZDXUJQI-NXHRZFHOSA-N 2 2 316.489 3.695 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC001182854810 1036467073 /nfs/dbraw/zinc/46/70/73/1036467073.db2.gz LMTRPCBZDXUJQI-NXHRZFHOSA-N 2 2 316.489 3.695 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC001182873359 1036470637 /nfs/dbraw/zinc/47/06/37/1036470637.db2.gz JTJJVMJZYANFEB-RBUKOAKNSA-N 2 2 318.505 3.692 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CS1 ZINC001182960125 1036486756 /nfs/dbraw/zinc/48/67/56/1036486756.db2.gz OMAQZCQILYBNJK-VYDXJSESSA-N 2 2 310.551 3.903 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CS1 ZINC001182960125 1036486763 /nfs/dbraw/zinc/48/67/63/1036486763.db2.gz OMAQZCQILYBNJK-VYDXJSESSA-N 2 2 310.551 3.903 20 0 DHADLP C(=C/c1ccncc1)\C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000486963413 1036489582 /nfs/dbraw/zinc/48/95/82/1036489582.db2.gz GAPWOIZZPHKRRG-ROUKRRSUSA-N 2 2 307.441 3.522 20 0 DHADLP C(=C\c1ccncc1)\C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000486963411 1036489756 /nfs/dbraw/zinc/48/97/56/1036489756.db2.gz GAPWOIZZPHKRRG-HCZHMGAMSA-N 2 2 307.441 3.522 20 0 DHADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001183525323 1036605090 /nfs/dbraw/zinc/60/50/90/1036605090.db2.gz FEFCDQFUMWFEDI-UFYCRDLUSA-N 2 2 313.489 3.818 20 0 DHADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001183525323 1036605094 /nfs/dbraw/zinc/60/50/94/1036605094.db2.gz FEFCDQFUMWFEDI-UFYCRDLUSA-N 2 2 313.489 3.818 20 0 DHADLP C[C@]1(C[NH2+]C/C=C/c2ccncc2)CCC[N@@H+]1Cc1ccccc1 ZINC000487548553 1036679956 /nfs/dbraw/zinc/67/99/56/1036679956.db2.gz DLICMMUOLQUHHR-AEVNEEFTSA-N 2 2 321.468 3.739 20 0 DHADLP C[C@]1(C[NH2+]C/C=C/c2ccncc2)CCC[N@H+]1Cc1ccccc1 ZINC000487548553 1036679958 /nfs/dbraw/zinc/67/99/58/1036679958.db2.gz DLICMMUOLQUHHR-AEVNEEFTSA-N 2 2 321.468 3.739 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3CCCCC3)CC2)cc1 ZINC000151860441 1036680022 /nfs/dbraw/zinc/68/00/22/1036680022.db2.gz UAOCHQGEOAMKLA-UHFFFAOYSA-N 2 2 315.505 3.891 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC001184376006 1036828098 /nfs/dbraw/zinc/82/80/98/1036828098.db2.gz YUZPIFWYTCPEJZ-HNNXBMFYSA-N 2 2 316.424 3.552 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC001184376006 1036828113 /nfs/dbraw/zinc/82/81/13/1036828113.db2.gz YUZPIFWYTCPEJZ-HNNXBMFYSA-N 2 2 316.424 3.552 20 0 DHADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001168494314 1036953431 /nfs/dbraw/zinc/95/34/31/1036953431.db2.gz BAKVOBNUMONGFW-OAHLLOKOSA-N 2 2 322.443 3.655 20 0 DHADLP Fc1ccc2cc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)[nH]c2c1 ZINC000488314027 1036959013 /nfs/dbraw/zinc/95/90/13/1036959013.db2.gz NXQHOCHGMARLQL-AWEZNQCLSA-N 2 2 324.403 3.636 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CS1 ZINC000488326357 1036970865 /nfs/dbraw/zinc/97/08/65/1036970865.db2.gz LOHHEDDHELEFNO-WBVHZDCISA-N 2 2 315.486 3.882 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC001198388885 1037008639 /nfs/dbraw/zinc/00/86/39/1037008639.db2.gz RGIOSWXKSDKOIM-UHFFFAOYSA-N 2 2 313.420 3.895 20 0 DHADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001198900407 1037155135 /nfs/dbraw/zinc/15/51/35/1037155135.db2.gz IAWKKZUATXVFKL-ACBHZAAOSA-N 2 2 324.553 3.785 20 0 DHADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001198900407 1037155141 /nfs/dbraw/zinc/15/51/41/1037155141.db2.gz IAWKKZUATXVFKL-ACBHZAAOSA-N 2 2 324.553 3.785 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C)c2Cl)CC1 ZINC001198952247 1037169159 /nfs/dbraw/zinc/16/91/59/1037169159.db2.gz DZPQRIFYYJVSFU-UHFFFAOYSA-N 2 2 301.261 3.876 20 0 DHADLP C[C@@H](C[NH2+]CC[NH+]1CCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001198992117 1037182257 /nfs/dbraw/zinc/18/22/57/1037182257.db2.gz WTQMBPUAGDCSGJ-QGZVFWFLSA-N 2 2 302.506 3.848 20 0 DHADLP Cc1cc(OCC[NH+]2CCC([NH+](C)C)CC2)ccc1C(C)C ZINC000193806573 1037257782 /nfs/dbraw/zinc/25/77/82/1037257782.db2.gz ZJPDYOXJUMQLNW-UHFFFAOYSA-N 2 2 304.478 3.523 20 0 DHADLP c1cc(C[NH2+]CC2CCCCCC2)cc(C[NH+]2CCOCC2)c1 ZINC001199403161 1037258784 /nfs/dbraw/zinc/25/87/84/1037258784.db2.gz JCHNGGWWMKKIKU-UHFFFAOYSA-N 2 2 316.489 3.579 20 0 DHADLP COc1ccc(C)cc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001199830487 1037345988 /nfs/dbraw/zinc/34/59/88/1037345988.db2.gz LSXISIUTGYBJRX-UHFFFAOYSA-N 2 2 313.426 3.541 20 0 DHADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@]2([NH+](C)C)CCSC2)c(C)c1 ZINC001200871991 1037452983 /nfs/dbraw/zinc/45/29/83/1037452983.db2.gz HAMRKWAUMFAKRH-RURPWVQCSA-N 2 2 318.530 3.652 20 0 DHADLP C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348837394 1037536777 /nfs/dbraw/zinc/53/67/77/1037536777.db2.gz HQPFROHJTQFBHF-WMLDXEAASA-N 2 2 315.486 3.788 20 0 DHADLP Clc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000776170681 1037671651 /nfs/dbraw/zinc/67/16/51/1037671651.db2.gz JDIGPWKPIKCDGT-UHFFFAOYSA-N 2 2 307.869 3.622 20 0 DHADLP C[C@@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCSCC1 ZINC000186961412 1037941804 /nfs/dbraw/zinc/94/18/04/1037941804.db2.gz GNJFPBQKDXUNAH-APWZRJJASA-N 2 2 318.530 3.945 20 0 DHADLP Cc1ccccc1C[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000571447745 1038139596 /nfs/dbraw/zinc/13/95/96/1038139596.db2.gz HTFYACVSJVQAQL-SFHVURJKSA-N 2 2 319.452 3.961 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCc1ccccc1F ZINC001190855543 1038393877 /nfs/dbraw/zinc/39/38/77/1038393877.db2.gz SUQZVEKFNHCDMU-UHFFFAOYSA-N 2 2 323.415 3.994 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCc1ccccc1F ZINC001190855543 1038393889 /nfs/dbraw/zinc/39/38/89/1038393889.db2.gz SUQZVEKFNHCDMU-UHFFFAOYSA-N 2 2 323.415 3.994 20 0 DHADLP CC[C@@H]1C[C@H]1C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001191234723 1038473228 /nfs/dbraw/zinc/47/32/28/1038473228.db2.gz VWIONHFMYLJXTB-MSOLQXFVSA-N 2 2 301.478 3.666 20 0 DHADLP CC[C@@H]1C[C@H]1C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001191234723 1038473233 /nfs/dbraw/zinc/47/32/33/1038473233.db2.gz VWIONHFMYLJXTB-MSOLQXFVSA-N 2 2 301.478 3.666 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]C[C@H]2CCc3ccccc32)c[nH+]1 ZINC000760956272 1039151184 /nfs/dbraw/zinc/15/11/84/1039151184.db2.gz XJXHQPJNUJWSON-QGZVFWFLSA-N 2 2 303.409 3.692 20 0 DHADLP C[C@@H](CSCCF)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000595009343 1040019242 /nfs/dbraw/zinc/01/92/42/1040019242.db2.gz REKCSDRIUJXEOJ-GJZGRUSLSA-N 2 2 312.498 3.797 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccccc1 ZINC000608074459 1040368877 /nfs/dbraw/zinc/36/88/77/1040368877.db2.gz SDDAHCWIUJPZMB-HNNXBMFYSA-N 2 2 315.804 3.740 20 0 DHADLP FC(F)(F)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000072801969 191229870 /nfs/dbraw/zinc/22/98/70/191229870.db2.gz DSBQTKLTMKAJRH-UHFFFAOYSA-N 2 2 309.335 3.647 20 0 DHADLP C[C@H](c1ccncc1)[N@H+](C)CCC[NH+](C)[C@@H](C)c1ccncc1 ZINC000091988932 193138327 /nfs/dbraw/zinc/13/83/27/193138327.db2.gz TVNVEJHZVMPKII-CALCHBBNSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H](c1ccncc1)[N@@H+](C)CCC[NH+](C)[C@@H](C)c1ccncc1 ZINC000091988932 193138328 /nfs/dbraw/zinc/13/83/28/193138328.db2.gz TVNVEJHZVMPKII-CALCHBBNSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H](c1ccncc1)[NH+](C)CCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000091988932 193138330 /nfs/dbraw/zinc/13/83/30/193138330.db2.gz TVNVEJHZVMPKII-CALCHBBNSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H](c1ccncc1)[NH+](C)CCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000091988932 193138332 /nfs/dbraw/zinc/13/83/32/193138332.db2.gz TVNVEJHZVMPKII-CALCHBBNSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1nccs1 ZINC000093403600 193244418 /nfs/dbraw/zinc/24/44/18/193244418.db2.gz FOWPXGZLEFWEKL-ZIAGYGMSSA-N 2 2 321.515 3.767 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1nccs1 ZINC000093403600 193244420 /nfs/dbraw/zinc/24/44/20/193244420.db2.gz FOWPXGZLEFWEKL-ZIAGYGMSSA-N 2 2 321.515 3.767 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000022936136 182342621 /nfs/dbraw/zinc/34/26/21/182342621.db2.gz PINWMVSNEXFMON-HXUWFJFHSA-N 2 2 324.468 3.840 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000022936136 182342624 /nfs/dbraw/zinc/34/26/24/182342624.db2.gz PINWMVSNEXFMON-HXUWFJFHSA-N 2 2 324.468 3.840 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2F)CC1)c1ccco1 ZINC000165742889 335056469 /nfs/dbraw/zinc/05/64/69/335056469.db2.gz PGCIHJPTHSYJTR-AWEZNQCLSA-N 2 2 302.393 3.734 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000271591389 129939510 /nfs/dbraw/zinc/93/95/10/129939510.db2.gz TUGFCXRMFZSQTB-HZPDHXFCSA-N 2 2 306.413 3.988 20 0 DHADLP Cc1ccccc1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272538419 130039256 /nfs/dbraw/zinc/03/92/56/130039256.db2.gz KFSYMUPMJTTXHW-UHFFFAOYSA-N 2 2 314.395 3.544 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(C)c1 ZINC000272655206 130049487 /nfs/dbraw/zinc/04/94/87/130049487.db2.gz GDWOUGDMUIUTSG-UHFFFAOYSA-N 2 2 314.395 3.810 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1cc[nH+]cc1C)CC3 ZINC000272691984 130054335 /nfs/dbraw/zinc/05/43/35/130054335.db2.gz XEVKLJIHTTZIEV-KRWDZBQOSA-N 2 2 319.452 3.869 20 0 DHADLP Cc1ccccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272691403 130054714 /nfs/dbraw/zinc/05/47/14/130054714.db2.gz QKDGFNBONIPTDE-UHFFFAOYSA-N 2 2 300.368 3.501 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC(n4cc[nH+]c4)CC3)[nH+]c2c1 ZINC000274037637 130200730 /nfs/dbraw/zinc/20/07/30/130200730.db2.gz IMVPKGAKHHVDEN-UHFFFAOYSA-N 2 2 306.413 3.890 20 0 DHADLP COc1cccc2c(NCCCCn3cc[nH+]c3C)cc[nH+]c12 ZINC000275435855 130321659 /nfs/dbraw/zinc/32/16/59/130321659.db2.gz DRTYUDROVVVEPY-UHFFFAOYSA-N 2 2 310.401 3.641 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nc2ccccc2n1C(F)F ZINC000275481544 130328352 /nfs/dbraw/zinc/32/83/52/130328352.db2.gz QKJRDEOGJAKUSE-CHWSQXEVSA-N 2 2 322.403 3.566 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1nc2ccccc2n1C(F)F ZINC000275481544 130328356 /nfs/dbraw/zinc/32/83/56/130328356.db2.gz QKJRDEOGJAKUSE-CHWSQXEVSA-N 2 2 322.403 3.566 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000275779800 130385014 /nfs/dbraw/zinc/38/50/14/130385014.db2.gz XENKCCAKCIDJRS-MRXNPFEDSA-N 2 2 323.415 3.791 20 0 DHADLP C[C@H]1[C@H]([NH2+]Cc2ccsc2)CCC[N@@H+]1Cc1ccccc1 ZINC000340180953 131007853 /nfs/dbraw/zinc/00/78/53/131007853.db2.gz NKMYTXJFCLJDBR-MAUKXSAKSA-N 2 2 300.471 3.891 20 0 DHADLP C[C@H]1[C@H]([NH2+]Cc2ccsc2)CCC[N@H+]1Cc1ccccc1 ZINC000340180953 131007854 /nfs/dbraw/zinc/00/78/54/131007854.db2.gz NKMYTXJFCLJDBR-MAUKXSAKSA-N 2 2 300.471 3.891 20 0 DHADLP c1cn2c(cccc2C[NH2+]Cc2ccc(OC3CCCC3)cc2)[nH+]1 ZINC000283801129 131025162 /nfs/dbraw/zinc/02/51/62/131025162.db2.gz AMWNCMPPYZOHHC-UHFFFAOYSA-N 2 2 321.424 3.946 20 0 DHADLP FC(F)(F)c1cccc([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000285513672 131175660 /nfs/dbraw/zinc/17/56/60/131175660.db2.gz GECRJWNKJRQAMH-OAHLLOKOSA-N 2 2 323.362 3.782 20 0 DHADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340247376 131265156 /nfs/dbraw/zinc/26/51/56/131265156.db2.gz NQKHGVOJTABOPJ-IRXDYDNUSA-N 2 2 315.486 3.685 20 0 DHADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340247376 131265158 /nfs/dbraw/zinc/26/51/58/131265158.db2.gz NQKHGVOJTABOPJ-IRXDYDNUSA-N 2 2 315.486 3.685 20 0 DHADLP Cc1[nH+]ccn1CCCCNc1[nH+]ccc(C)c1Br ZINC000287158610 131266476 /nfs/dbraw/zinc/26/64/76/131266476.db2.gz FMRGTERZOHUXAY-UHFFFAOYSA-N 2 2 323.238 3.550 20 0 DHADLP C[C@@H]1CSC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000287496080 131283081 /nfs/dbraw/zinc/28/30/81/131283081.db2.gz NNZMBLPWIOGDHV-CXAGYDPISA-N 2 2 324.921 3.646 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(OCCC(C)C)CC1 ZINC000289110362 131358915 /nfs/dbraw/zinc/35/89/15/131358915.db2.gz MXEZHOAVWFGOQH-UHFFFAOYSA-N 2 2 304.478 3.850 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000289299811 131371586 /nfs/dbraw/zinc/37/15/86/131371586.db2.gz QTNINAAZGAOILV-OAQYLSRUSA-N 2 2 320.436 3.799 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000289360920 131378243 /nfs/dbraw/zinc/37/82/43/131378243.db2.gz ZESMEADPOPOKBM-RDTXWAMCSA-N 2 2 308.429 3.729 20 0 DHADLP CCc1nc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000289436251 131386557 /nfs/dbraw/zinc/38/65/57/131386557.db2.gz LKFZHHIWEAWWSU-UHFFFAOYSA-N 2 2 317.502 3.789 20 0 DHADLP CCc1nc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000289436251 131386559 /nfs/dbraw/zinc/38/65/59/131386559.db2.gz LKFZHHIWEAWWSU-UHFFFAOYSA-N 2 2 317.502 3.789 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c2ccccc21 ZINC000340357484 131516466 /nfs/dbraw/zinc/51/64/66/131516466.db2.gz YCLWIXWDWBSGDB-KGLIPLIRSA-N 2 2 309.388 3.841 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(Oc2ccccc2)cn1 ZINC000297583875 132023860 /nfs/dbraw/zinc/02/38/60/132023860.db2.gz HHRABNIXQZCSMX-JKSUJKDBSA-N 2 2 313.445 3.865 20 0 DHADLP C[C@H]([NH2+]C(C)(C)CN[C@@H]1C[C@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000297592458 132024310 /nfs/dbraw/zinc/02/43/10/132024310.db2.gz HPXMPTCIMIODQW-YQQAZPJKSA-N 2 2 312.461 3.608 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340582640 132036741 /nfs/dbraw/zinc/03/67/41/132036741.db2.gz KNBKZNVHVNMVFJ-QMTHXVAHSA-N 2 2 310.228 3.856 20 0 DHADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCc1c[nH+]cn1C ZINC000297874323 132038570 /nfs/dbraw/zinc/03/85/70/132038570.db2.gz PZMJAFRFAYMGHL-NSHDSACASA-N 2 2 312.244 3.962 20 0 DHADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000297874323 132038571 /nfs/dbraw/zinc/03/85/71/132038571.db2.gz PZMJAFRFAYMGHL-NSHDSACASA-N 2 2 312.244 3.962 20 0 DHADLP CCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000298381143 132059440 /nfs/dbraw/zinc/05/94/40/132059440.db2.gz COOOBGPBHPTNBP-UHFFFAOYSA-N 2 2 321.424 3.620 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298434501 132063055 /nfs/dbraw/zinc/06/30/55/132063055.db2.gz NDLLKZPLCFMIFQ-ZDUSSCGKSA-N 2 2 303.837 3.842 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000298434501 132063057 /nfs/dbraw/zinc/06/30/57/132063057.db2.gz NDLLKZPLCFMIFQ-ZDUSSCGKSA-N 2 2 303.837 3.842 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(F)c1 ZINC000119861229 132138044 /nfs/dbraw/zinc/13/80/44/132138044.db2.gz JIFBORFKOBAQES-CYBMUJFWSA-N 2 2 308.441 3.748 20 0 DHADLP CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCCn2cc[nH+]c2)o1 ZINC000343317122 335070351 /nfs/dbraw/zinc/07/03/51/335070351.db2.gz CALGGYXWGBEFAI-DOTOQJQBSA-N 2 2 301.434 3.902 20 0 DHADLP Cc1ccc(CC[N@H+](CCCn2cc[nH+]c2)Cc2ccco2)cc1 ZINC000343319794 335077545 /nfs/dbraw/zinc/07/75/45/335077545.db2.gz JTEIBWBQKDBRAR-UHFFFAOYSA-N 2 2 323.440 3.920 20 0 DHADLP Cc1ccc(CC[N@@H+](CCCn2cc[nH+]c2)Cc2ccco2)cc1 ZINC000343319794 335077547 /nfs/dbraw/zinc/07/75/47/335077547.db2.gz JTEIBWBQKDBRAR-UHFFFAOYSA-N 2 2 323.440 3.920 20 0 DHADLP COc1ccc2[nH+]c(NC[C@H](C)C[NH+]3CCCCC3)ccc2c1 ZINC000601505391 435331297 /nfs/dbraw/zinc/33/12/97/435331297.db2.gz JCDDJQYBXMPKQC-HNNXBMFYSA-N 2 2 313.445 3.777 20 0 DHADLP CCc1cc(NCc2ccccc2C[NH+]2CCC(C)CC2)nc[nH+]1 ZINC000603381692 435335118 /nfs/dbraw/zinc/33/51/18/435335118.db2.gz JARAYWSAKKQEQL-UHFFFAOYSA-N 2 2 324.472 3.883 20 0 DHADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)c1ccncc1 ZINC000156383740 332790010 /nfs/dbraw/zinc/79/00/10/332790010.db2.gz VAVZOXYXOJWHPN-HOCLYGCPSA-N 2 2 301.459 3.631 20 0 DHADLP CCC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)c1ccccn1 ZINC000179460631 331524433 /nfs/dbraw/zinc/52/44/33/331524433.db2.gz LTZUOGKRAFAQDD-INIZCTEOSA-N 2 2 308.429 3.871 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000179837076 331546969 /nfs/dbraw/zinc/54/69/69/331546969.db2.gz ZMTJYBZCTVVHSJ-UHFFFAOYSA-N 2 2 316.367 3.548 20 0 DHADLP CCCCc1oc2ccccc2c1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313288819 331933176 /nfs/dbraw/zinc/93/31/76/331933176.db2.gz ZQGGPVYGNQEHEV-UHFFFAOYSA-N 2 2 311.429 3.841 20 0 DHADLP C[C@H]([NH2+]CC1CCSCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131176549 332027944 /nfs/dbraw/zinc/02/79/44/332027944.db2.gz GFFUIDSVHTVLII-AWEZNQCLSA-N 2 2 301.459 3.666 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000091669636 332109805 /nfs/dbraw/zinc/10/98/05/332109805.db2.gz PDYFDOMWFZWRGS-UHFFFAOYSA-N 2 2 316.420 3.920 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C[C@H](C)O1 ZINC000569544419 332132703 /nfs/dbraw/zinc/13/27/03/332132703.db2.gz JVBSMGUQCYXEOM-BCDXTJNWSA-N 2 2 308.510 3.578 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)CC3 ZINC000180914284 332147802 /nfs/dbraw/zinc/14/78/02/332147802.db2.gz ZQFIGLLWVNXJMT-XHSDSOJGSA-N 2 2 323.484 3.548 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)CC3 ZINC000180914284 332147803 /nfs/dbraw/zinc/14/78/03/332147803.db2.gz ZQFIGLLWVNXJMT-XHSDSOJGSA-N 2 2 323.484 3.548 20 0 DHADLP CSc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000584291609 332220160 /nfs/dbraw/zinc/22/01/60/332220160.db2.gz YJIUHCJHFJPNMQ-CZUORRHYSA-N 2 2 313.470 3.656 20 0 DHADLP CSc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000584291609 332220162 /nfs/dbraw/zinc/22/01/62/332220162.db2.gz YJIUHCJHFJPNMQ-CZUORRHYSA-N 2 2 313.470 3.656 20 0 DHADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000363757792 332241737 /nfs/dbraw/zinc/24/17/37/332241737.db2.gz OHHNCBNRMLNSIM-OCCSQVGLSA-N 2 2 318.490 3.747 20 0 DHADLP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000559773630 332280692 /nfs/dbraw/zinc/28/06/92/332280692.db2.gz BRCCRJBARYRGPD-VQTJNVASSA-N 2 2 324.468 3.929 20 0 DHADLP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000559773630 332280693 /nfs/dbraw/zinc/28/06/93/332280693.db2.gz BRCCRJBARYRGPD-VQTJNVASSA-N 2 2 324.468 3.929 20 0 DHADLP Cc1cc([C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CC2)ccc1F ZINC000560270124 332326136 /nfs/dbraw/zinc/32/61/36/332326136.db2.gz JBBUMCGOQNJDBE-IBGZPJMESA-N 2 2 313.420 3.908 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1 ZINC000152783716 332328287 /nfs/dbraw/zinc/32/82/87/332328287.db2.gz DQHGGOSASNBFPR-CYBMUJFWSA-N 2 2 303.837 3.766 20 0 DHADLP [NH3+]C[C@H]([NH2+]Cc1cnc(C2CCCCC2)s1)C1CCCC1 ZINC000560966694 332397653 /nfs/dbraw/zinc/39/76/53/332397653.db2.gz KJIKYGFSICBGGZ-INIZCTEOSA-N 2 2 307.507 3.798 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)sc1Cl ZINC000427868200 332549946 /nfs/dbraw/zinc/54/99/46/332549946.db2.gz QHATVXRJKSGLPV-BDAKNGLRSA-N 2 2 316.257 3.917 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1nc(-c2ccccc2)cs1 ZINC000427880239 332553202 /nfs/dbraw/zinc/55/32/02/332553202.db2.gz ZZACGOULOQQDSB-DZGCQCFKSA-N 2 2 324.453 3.672 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1OC(F)F ZINC000427887154 332555341 /nfs/dbraw/zinc/55/53/41/332555341.db2.gz ANNMJOLIRPDVLG-TZMCWYRMSA-N 2 2 321.371 3.540 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1OC(F)F ZINC000427887152 332555371 /nfs/dbraw/zinc/55/53/71/332555371.db2.gz ANNMJOLIRPDVLG-JSGCOSHPSA-N 2 2 321.371 3.540 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000580223228 333024699 /nfs/dbraw/zinc/02/46/99/333024699.db2.gz CQVGAQMCUQYMLP-HNNXBMFYSA-N 2 2 315.486 3.630 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000580223228 333024700 /nfs/dbraw/zinc/02/47/00/333024700.db2.gz CQVGAQMCUQYMLP-HNNXBMFYSA-N 2 2 315.486 3.630 20 0 DHADLP CC(C)[C@@H](C[NH2+]Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000518767538 333046002 /nfs/dbraw/zinc/04/60/02/333046002.db2.gz HDXOXVNAOGCUHI-OAQYLSRUSA-N 2 2 308.469 3.859 20 0 DHADLP CC(C)[C@@H](C[NH2+]Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000518767538 333046003 /nfs/dbraw/zinc/04/60/03/333046003.db2.gz HDXOXVNAOGCUHI-OAQYLSRUSA-N 2 2 308.469 3.859 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000378870587 333058777 /nfs/dbraw/zinc/05/87/77/333058777.db2.gz MPZWQPWRBGOBCV-XLIONFOSSA-N 2 2 324.468 3.577 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000378870587 333058778 /nfs/dbraw/zinc/05/87/78/333058778.db2.gz MPZWQPWRBGOBCV-XLIONFOSSA-N 2 2 324.468 3.577 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000177374235 333128250 /nfs/dbraw/zinc/12/82/50/333128250.db2.gz NSOUJGZPKWAIMK-BEVDRBHNSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000177374235 333128251 /nfs/dbraw/zinc/12/82/51/333128251.db2.gz NSOUJGZPKWAIMK-BEVDRBHNSA-N 2 2 312.432 3.987 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(F)c1 ZINC000387762822 333172535 /nfs/dbraw/zinc/17/25/35/333172535.db2.gz XNKNLPLEMFRQFM-CABCVRRESA-N 2 2 308.441 3.749 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(F)c1 ZINC000387762822 333172536 /nfs/dbraw/zinc/17/25/36/333172536.db2.gz XNKNLPLEMFRQFM-CABCVRRESA-N 2 2 308.441 3.749 20 0 DHADLP Cc1sccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000310020670 333215978 /nfs/dbraw/zinc/21/59/78/333215978.db2.gz RHDOUNPIDCPNPJ-KDOFPFPSSA-N 2 2 300.471 3.809 20 0 DHADLP Cc1sccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000310020670 333215979 /nfs/dbraw/zinc/21/59/79/333215979.db2.gz RHDOUNPIDCPNPJ-KDOFPFPSSA-N 2 2 300.471 3.809 20 0 DHADLP Cc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390551571 333298775 /nfs/dbraw/zinc/29/87/75/333298775.db2.gz CRFDZJBNGUZZGZ-LJQANCHMSA-N 2 2 312.432 3.888 20 0 DHADLP Cc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390551571 333298777 /nfs/dbraw/zinc/29/87/77/333298777.db2.gz CRFDZJBNGUZZGZ-LJQANCHMSA-N 2 2 312.432 3.888 20 0 DHADLP COc1cccc([C@@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000390589977 333304630 /nfs/dbraw/zinc/30/46/30/333304630.db2.gz QJXRRYVGLJAJEY-DLBZAZTESA-N 2 2 312.457 3.866 20 0 DHADLP COc1cccc([C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000390589977 333304631 /nfs/dbraw/zinc/30/46/31/333304631.db2.gz QJXRRYVGLJAJEY-DLBZAZTESA-N 2 2 312.457 3.866 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000503072591 333313998 /nfs/dbraw/zinc/31/39/98/333313998.db2.gz BZTBACBYGXVSNR-QAPCUYQASA-N 2 2 308.416 3.976 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000503072591 333314000 /nfs/dbraw/zinc/31/40/00/333314000.db2.gz BZTBACBYGXVSNR-QAPCUYQASA-N 2 2 308.416 3.976 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000503072591 333314002 /nfs/dbraw/zinc/31/40/02/333314002.db2.gz BZTBACBYGXVSNR-QAPCUYQASA-N 2 2 308.416 3.976 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000503072591 333314003 /nfs/dbraw/zinc/31/40/03/333314003.db2.gz BZTBACBYGXVSNR-QAPCUYQASA-N 2 2 308.416 3.976 20 0 DHADLP Fc1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000320307718 333512765 /nfs/dbraw/zinc/51/27/65/333512765.db2.gz LEVBJVMELIDXIZ-FQEVSTJZSA-N 2 2 312.432 3.991 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](C)[C@H]2OCCc3sccc32)c[nH+]1 ZINC000430115652 333812879 /nfs/dbraw/zinc/81/28/79/333812879.db2.gz AJVAZTDFYJVBDV-RDTXWAMCSA-N 2 2 316.470 3.676 20 0 DHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000571632600 333865726 /nfs/dbraw/zinc/86/57/26/333865726.db2.gz GIOCEBWMVMGZLF-LBPRGKRZSA-N 2 2 319.836 3.732 20 0 DHADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC1(C)C ZINC000414074499 333891642 /nfs/dbraw/zinc/89/16/42/333891642.db2.gz WWSOXIMRBBWXOV-MSOLQXFVSA-N 2 2 311.473 3.888 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1cc[nH+]cc1C)CCS2 ZINC000343458804 335166102 /nfs/dbraw/zinc/16/61/02/335166102.db2.gz GPEGVVVHYAZECY-QGZVFWFLSA-N 2 2 314.454 3.768 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@H]1C[C@@H]1C ZINC000414111020 333904832 /nfs/dbraw/zinc/90/48/32/333904832.db2.gz WSWVEZIEMHFNPN-QXGSTGNESA-N 2 2 301.478 3.631 20 0 DHADLP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000343553906 335171849 /nfs/dbraw/zinc/17/18/49/335171849.db2.gz DOBIKAGYHZORSN-WMZOPIPTSA-N 2 2 301.478 3.604 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(-c2ccccc2)cs1 ZINC000277589231 334089165 /nfs/dbraw/zinc/08/91/65/334089165.db2.gz DDNOJDSANPWLMP-UHFFFAOYSA-N 2 2 312.442 3.529 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(-c2ccccc2)cs1 ZINC000277589231 334089167 /nfs/dbraw/zinc/08/91/67/334089167.db2.gz DDNOJDSANPWLMP-UHFFFAOYSA-N 2 2 312.442 3.529 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000414817944 334107345 /nfs/dbraw/zinc/10/73/45/334107345.db2.gz UIUOWROCVCYPQJ-AWEZNQCLSA-N 2 2 307.438 3.556 20 0 DHADLP C[NH2+]CC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000414819748 334107592 /nfs/dbraw/zinc/10/75/92/334107592.db2.gz AWGDFMDEFLNRMX-UHFFFAOYSA-N 2 2 314.376 3.743 20 0 DHADLP Cc1cccn2c(C[NH2+]C[C@@H]([NH3+])c3ccc(C(C)C)cc3)cnc12 ZINC000414822215 334108260 /nfs/dbraw/zinc/10/82/60/334108260.db2.gz DJCMJLHNMYMRND-LJQANCHMSA-N 2 2 322.456 3.556 20 0 DHADLP COCc1cccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414820809 334108292 /nfs/dbraw/zinc/10/82/92/334108292.db2.gz BGPUFIWRTAUJEJ-FQEVSTJZSA-N 2 2 312.457 3.746 20 0 DHADLP [NH3+]C[C@@H]([NH2+]Cc1csc(Br)c1)C1CCCCC1 ZINC000414831042 334110615 /nfs/dbraw/zinc/11/06/15/334110615.db2.gz BTWOYVZPGFVVJX-GFCCVEGCSA-N 2 2 317.296 3.508 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@H](C[NH3+])C3CCCCC3)s2)o1 ZINC000414832415 334111045 /nfs/dbraw/zinc/11/10/45/334111045.db2.gz DLWZUCHOQRNDQA-OAHLLOKOSA-N 2 2 319.474 3.709 20 0 DHADLP [NH3+][C@H](C[NH2+]Cc1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000414832204 334111098 /nfs/dbraw/zinc/11/10/98/334111098.db2.gz OCFRMMKKLXNEAY-GFCCVEGCSA-N 2 2 300.349 3.557 20 0 DHADLP Cc1ccn2c(C[NH2+]C[C@H]([NH3+])c3ccc(C(C)C)cc3)cnc2c1 ZINC000414851733 334125970 /nfs/dbraw/zinc/12/59/70/334125970.db2.gz UUVLASXLQRSCRD-IBGZPJMESA-N 2 2 322.456 3.556 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(O)c1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000293156182 334196069 /nfs/dbraw/zinc/19/60/69/334196069.db2.gz FFUHTYNXQSXLMG-UKRRQHHQSA-N 2 2 322.880 3.788 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(O)c1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000293156182 334196071 /nfs/dbraw/zinc/19/60/71/334196071.db2.gz FFUHTYNXQSXLMG-UKRRQHHQSA-N 2 2 322.880 3.788 20 0 DHADLP COc1ccccc1[C@H]([NH2+][C@@H](C)C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000415083480 334272417 /nfs/dbraw/zinc/27/24/17/334272417.db2.gz FOWOCWZYDXZGOX-YRISNDGFSA-N 2 2 324.468 3.905 20 0 DHADLP Fc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415084473 334272794 /nfs/dbraw/zinc/27/27/94/334272794.db2.gz RITOCRLIWCICGK-FUHWJXTLSA-N 2 2 302.368 3.548 20 0 DHADLP Cc1cc(N)cc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000414970574 334218158 /nfs/dbraw/zinc/21/81/58/334218158.db2.gz VDIFPUCVQYQJJC-OXQOHEQNSA-N 2 2 309.457 3.502 20 0 DHADLP Cc1cc(N)cc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000414970574 334218159 /nfs/dbraw/zinc/21/81/59/334218159.db2.gz VDIFPUCVQYQJJC-OXQOHEQNSA-N 2 2 309.457 3.502 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000297981203 334245452 /nfs/dbraw/zinc/24/54/52/334245452.db2.gz YCUQHOXYEKQHOT-UHFFFAOYSA-N 2 2 305.425 3.780 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000297981203 334245454 /nfs/dbraw/zinc/24/54/54/334245454.db2.gz YCUQHOXYEKQHOT-UHFFFAOYSA-N 2 2 305.425 3.780 20 0 DHADLP COc1cc(C)c([NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000298114955 334246627 /nfs/dbraw/zinc/24/66/27/334246627.db2.gz OOTZTVNBTMVMCW-UHFFFAOYSA-N 2 2 311.429 3.788 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1nccs1 ZINC000415113778 334282130 /nfs/dbraw/zinc/28/21/30/334282130.db2.gz FNVMVOUHTDDYNE-OWCLPIDISA-N 2 2 301.459 3.677 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c2ccccc12 ZINC000531984229 334359131 /nfs/dbraw/zinc/35/91/31/334359131.db2.gz PIPHDVCYUGROGZ-CVEARBPZSA-N 2 2 312.457 3.841 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c2ccccc12 ZINC000531984229 334359133 /nfs/dbraw/zinc/35/91/33/334359133.db2.gz PIPHDVCYUGROGZ-CVEARBPZSA-N 2 2 312.457 3.841 20 0 DHADLP COC1CCC([NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000443193253 338446731 /nfs/dbraw/zinc/44/67/31/338446731.db2.gz LLUAJPMOMXPLJS-RMFNQSEZSA-N 2 2 304.478 3.533 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)nc1 ZINC000341584428 334458798 /nfs/dbraw/zinc/45/87/98/334458798.db2.gz FFQCNQHWTVPXCH-YQVWRLOYSA-N 2 2 313.489 3.604 20 0 DHADLP c1cncc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)c1 ZINC000341599007 334460470 /nfs/dbraw/zinc/46/04/70/334460470.db2.gz UXQIUODIOAVYAR-CMKODMSKSA-N 2 2 313.489 3.604 20 0 DHADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000341759227 334477717 /nfs/dbraw/zinc/47/77/17/334477717.db2.gz GTOCQOGFAWFORT-GOSISDBHSA-N 2 2 313.420 3.568 20 0 DHADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c[nH+]1 ZINC000343643280 335184352 /nfs/dbraw/zinc/18/43/52/335184352.db2.gz USUXNBKUEZMZIE-XWPNQZOQSA-N 2 2 316.489 3.584 20 0 DHADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c[nH+]1 ZINC000343643280 335184353 /nfs/dbraw/zinc/18/43/53/335184353.db2.gz USUXNBKUEZMZIE-XWPNQZOQSA-N 2 2 316.489 3.584 20 0 DHADLP CN(CCC[N@H+](C)Cc1ccco1)c1ccc2ccccc2[nH+]1 ZINC000343813122 335194844 /nfs/dbraw/zinc/19/48/44/335194844.db2.gz PUGWHPSENBSFGE-UHFFFAOYSA-N 2 2 309.413 3.786 20 0 DHADLP CC[N@H+](C)[C@@H](C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)c1ccccc1 ZINC000343855556 335197603 /nfs/dbraw/zinc/19/76/03/335197603.db2.gz OBXCROOCLDIFEA-GOSISDBHSA-N 2 2 322.412 3.503 20 0 DHADLP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)c1ccccc1 ZINC000343855556 335197605 /nfs/dbraw/zinc/19/76/05/335197605.db2.gz OBXCROOCLDIFEA-GOSISDBHSA-N 2 2 322.412 3.503 20 0 DHADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)[C@@H](C)C1 ZINC000343873328 335199257 /nfs/dbraw/zinc/19/92/57/335199257.db2.gz UVCRLSFDZQYUSX-ZLIFDBKOSA-N 2 2 324.415 3.595 20 0 DHADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)[C@@H](C)C1 ZINC000343873328 335199258 /nfs/dbraw/zinc/19/92/58/335199258.db2.gz UVCRLSFDZQYUSX-ZLIFDBKOSA-N 2 2 324.415 3.595 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000366858370 335219732 /nfs/dbraw/zinc/21/97/32/335219732.db2.gz XDGHCHPGOSUWAA-HNNXBMFYSA-N 2 2 305.372 3.737 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000366858370 335219733 /nfs/dbraw/zinc/21/97/33/335219733.db2.gz XDGHCHPGOSUWAA-HNNXBMFYSA-N 2 2 305.372 3.737 20 0 DHADLP Fc1ccccc1C1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000344198235 335224638 /nfs/dbraw/zinc/22/46/38/335224638.db2.gz BOJQAWNEMYYWFX-UHFFFAOYSA-N 2 2 313.401 3.852 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+]CCc2cc[nH+]cc2C)C12CCCCC2 ZINC000344277103 335235618 /nfs/dbraw/zinc/23/56/18/335235618.db2.gz CDAFRTACQKKSDT-ZWKOTPCHSA-N 2 2 302.462 3.650 20 0 DHADLP Cc1ccoc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000344522838 335255128 /nfs/dbraw/zinc/25/51/28/335255128.db2.gz ICQWCTHPCSPSOI-WMLDXEAASA-N 2 2 304.459 3.822 20 0 DHADLP Cc1ccoc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000344522838 335255129 /nfs/dbraw/zinc/25/51/29/335255129.db2.gz ICQWCTHPCSPSOI-WMLDXEAASA-N 2 2 304.459 3.822 20 0 DHADLP CCCCOc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000344497728 335256936 /nfs/dbraw/zinc/25/69/36/335256936.db2.gz MJGKKPXACPQBNT-KRWDZBQOSA-N 2 2 313.445 3.968 20 0 DHADLP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(-c3ccncc3)c1)CCC2 ZINC000344505990 335257216 /nfs/dbraw/zinc/25/72/16/335257216.db2.gz ADNKWKSWALJSML-IBGZPJMESA-N 2 2 318.424 3.612 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(C3CCC3)s1)CCC2 ZINC000344548512 335260770 /nfs/dbraw/zinc/26/07/70/335260770.db2.gz WJYOOXWQENVHEU-AWEZNQCLSA-N 2 2 316.474 3.583 20 0 DHADLP C[C@H]1CCC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000344909185 335284932 /nfs/dbraw/zinc/28/49/32/335284932.db2.gz ZRXRIJVYYKVDLF-JKSUJKDBSA-N 2 2 316.493 3.603 20 0 DHADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000346122969 335376506 /nfs/dbraw/zinc/37/65/06/335376506.db2.gz TYIARDPLPZTEQI-UHFFFAOYSA-N 2 2 319.811 3.505 20 0 DHADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc2cccnc12 ZINC000346130407 335379246 /nfs/dbraw/zinc/37/92/46/335379246.db2.gz IFEXCEYJYUVFNG-UHFFFAOYSA-N 2 2 306.413 3.577 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000346131499 335379303 /nfs/dbraw/zinc/37/93/03/335379303.db2.gz KDEAKNVVNHIBGX-OAHLLOKOSA-N 2 2 322.412 3.894 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000346131499 335379304 /nfs/dbraw/zinc/37/93/04/335379304.db2.gz KDEAKNVVNHIBGX-OAHLLOKOSA-N 2 2 322.412 3.894 20 0 DHADLP CC[C@@H](C)C[N@H+](CC)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346166953 335384177 /nfs/dbraw/zinc/38/41/77/335384177.db2.gz JFKRIVMQTSKQNJ-CQSZACIVSA-N 2 2 309.523 3.778 20 0 DHADLP CC[C@@H](C)C[N@@H+](CC)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346166953 335384178 /nfs/dbraw/zinc/38/41/78/335384178.db2.gz JFKRIVMQTSKQNJ-CQSZACIVSA-N 2 2 309.523 3.778 20 0 DHADLP CC[C@@H](C)C[NH+](CC)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346166953 335384179 /nfs/dbraw/zinc/38/41/79/335384179.db2.gz JFKRIVMQTSKQNJ-CQSZACIVSA-N 2 2 309.523 3.778 20 0 DHADLP CC[C@@H](C)C[NH+](CC)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346166953 335384180 /nfs/dbraw/zinc/38/41/80/335384180.db2.gz JFKRIVMQTSKQNJ-CQSZACIVSA-N 2 2 309.523 3.778 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H](C)CC[C@@H]3C)sc2C1 ZINC000346233014 335386744 /nfs/dbraw/zinc/38/67/44/335386744.db2.gz ZCOPGGCDMSQAKX-KBPBESRZSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C)sc2C1 ZINC000346233014 335386746 /nfs/dbraw/zinc/38/67/46/335386746.db2.gz ZCOPGGCDMSQAKX-KBPBESRZSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H](C)CC[C@@H]3C)sc2C1 ZINC000346233014 335386747 /nfs/dbraw/zinc/38/67/47/335386747.db2.gz ZCOPGGCDMSQAKX-KBPBESRZSA-N 2 2 307.507 3.530 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc2cccnc12 ZINC000346233083 335386821 /nfs/dbraw/zinc/38/68/21/335386821.db2.gz ZCVLIEBUUXFUHH-IBGZPJMESA-N 2 2 319.408 3.592 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc2cccnc12 ZINC000346233083 335386822 /nfs/dbraw/zinc/38/68/22/335386822.db2.gz ZCVLIEBUUXFUHH-IBGZPJMESA-N 2 2 319.408 3.592 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H](C)CC[C@H]3C)sc2C1 ZINC000346233030 335386834 /nfs/dbraw/zinc/38/68/34/335386834.db2.gz ZCOPGGCDMSQAKX-UONOGXRCSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H](C)CC[C@H]3C)sc2C1 ZINC000346233030 335386835 /nfs/dbraw/zinc/38/68/35/335386835.db2.gz ZCOPGGCDMSQAKX-UONOGXRCSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H](C)CC[C@H]3C)sc2C1 ZINC000346233030 335386836 /nfs/dbraw/zinc/38/68/36/335386836.db2.gz ZCOPGGCDMSQAKX-UONOGXRCSA-N 2 2 307.507 3.530 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000346239430 335387362 /nfs/dbraw/zinc/38/73/62/335387362.db2.gz ARQKDCIMCGOVTM-LBPRGKRZSA-N 2 2 322.250 3.647 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000346239430 335387363 /nfs/dbraw/zinc/38/73/63/335387363.db2.gz ARQKDCIMCGOVTM-LBPRGKRZSA-N 2 2 322.250 3.647 20 0 DHADLP CO[C@]1(C)C[C@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346186530 335387866 /nfs/dbraw/zinc/38/78/66/335387866.db2.gz ZBKZDBKAMRXYKT-DOTOQJQBSA-N 2 2 319.474 3.569 20 0 DHADLP CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346186530 335387868 /nfs/dbraw/zinc/38/78/68/335387868.db2.gz ZBKZDBKAMRXYKT-DOTOQJQBSA-N 2 2 319.474 3.569 20 0 DHADLP CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346200189 335389679 /nfs/dbraw/zinc/38/96/79/335389679.db2.gz LMFPWQQOYWVBCX-JKSUJKDBSA-N 2 2 319.474 3.569 20 0 DHADLP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346200189 335389681 /nfs/dbraw/zinc/38/96/81/335389681.db2.gz LMFPWQQOYWVBCX-JKSUJKDBSA-N 2 2 319.474 3.569 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000348139771 335556728 /nfs/dbraw/zinc/55/67/28/335556728.db2.gz JNDLHRGZOUVUNC-UHFFFAOYSA-N 2 2 313.445 3.685 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000348264599 335569218 /nfs/dbraw/zinc/56/92/18/335569218.db2.gz NRCKRGWDYVFJQO-UHFFFAOYSA-N 2 2 310.526 3.682 20 0 DHADLP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000367087210 335661871 /nfs/dbraw/zinc/66/18/71/335661871.db2.gz OPIDTEGYHROYSE-QAPCUYQASA-N 2 2 322.518 3.507 20 0 DHADLP COC1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCCC1 ZINC000349411724 335670398 /nfs/dbraw/zinc/67/03/98/335670398.db2.gz AJNQUCROSNAZHI-UHFFFAOYSA-N 2 2 319.493 3.725 20 0 DHADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccncc2C)CC1 ZINC000519076584 335795252 /nfs/dbraw/zinc/79/52/52/335795252.db2.gz CPKPUAVGVGVALE-UHFFFAOYSA-N 2 2 320.440 3.885 20 0 DHADLP Fc1ccccc1C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000191691941 335828250 /nfs/dbraw/zinc/82/82/50/335828250.db2.gz MBWKOBMGMXCJRF-LJQANCHMSA-N 2 2 309.388 3.596 20 0 DHADLP CC[NH+](CC)Cc1nc(C2([NH2+]CCCC(C)C)CCCC2)no1 ZINC000527360949 335842459 /nfs/dbraw/zinc/84/24/59/335842459.db2.gz CVHIZWHKCIBRHE-UHFFFAOYSA-N 2 2 322.497 3.707 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)n1C ZINC000520611012 335994449 /nfs/dbraw/zinc/99/44/49/335994449.db2.gz CYDDWVHZVMDDKW-UHFFFAOYSA-N 2 2 323.362 3.916 20 0 DHADLP Cc1ccc(CCC[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c[nH+]1 ZINC000351491512 336038439 /nfs/dbraw/zinc/03/84/39/336038439.db2.gz IQCPZWVSBIVUJX-UZLBHIALSA-N 2 2 310.441 3.647 20 0 DHADLP Cc1ccc(CCC[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c[nH+]1 ZINC000351491512 336038440 /nfs/dbraw/zinc/03/84/40/336038440.db2.gz IQCPZWVSBIVUJX-UZLBHIALSA-N 2 2 310.441 3.647 20 0 DHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000351685234 336057951 /nfs/dbraw/zinc/05/79/51/336057951.db2.gz CXMPRCPXLJULNZ-UHFFFAOYSA-N 2 2 319.493 3.564 20 0 DHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000351685234 336057953 /nfs/dbraw/zinc/05/79/53/336057953.db2.gz CXMPRCPXLJULNZ-UHFFFAOYSA-N 2 2 319.493 3.564 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)CCn1ccc2cc(Cl)ccc21 ZINC000351717716 336061992 /nfs/dbraw/zinc/06/19/92/336061992.db2.gz OSQWIKZFRPENGD-UHFFFAOYSA-N 2 2 316.836 3.513 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)CCn1ccc2cc(Cl)ccc21 ZINC000351717716 336061994 /nfs/dbraw/zinc/06/19/94/336061994.db2.gz OSQWIKZFRPENGD-UHFFFAOYSA-N 2 2 316.836 3.513 20 0 DHADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000351776379 336068606 /nfs/dbraw/zinc/06/86/06/336068606.db2.gz ZMLXUEJJKDIIRA-WMLDXEAASA-N 2 2 303.837 3.928 20 0 DHADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000351776379 336068607 /nfs/dbraw/zinc/06/86/07/336068607.db2.gz ZMLXUEJJKDIIRA-WMLDXEAASA-N 2 2 303.837 3.928 20 0 DHADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000352240228 336205760 /nfs/dbraw/zinc/20/57/60/336205760.db2.gz FMFPKJYRBYALSW-AEFFLSMTSA-N 2 2 313.445 3.755 20 0 DHADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000352240228 336205761 /nfs/dbraw/zinc/20/57/61/336205761.db2.gz FMFPKJYRBYALSW-AEFFLSMTSA-N 2 2 313.445 3.755 20 0 DHADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cc2ccccc2o1 ZINC000352250911 336206884 /nfs/dbraw/zinc/20/68/84/336206884.db2.gz MKKDXCWVVUEWAE-LBPRGKRZSA-N 2 2 315.442 3.802 20 0 DHADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352685951 336230318 /nfs/dbraw/zinc/23/03/18/336230318.db2.gz WODCIJQKHINUNS-DQYPLSBCSA-N 2 2 302.462 3.674 20 0 DHADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352685951 336230319 /nfs/dbraw/zinc/23/03/19/336230319.db2.gz WODCIJQKHINUNS-DQYPLSBCSA-N 2 2 302.462 3.674 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000352761442 336233483 /nfs/dbraw/zinc/23/34/83/336233483.db2.gz XOJFXSVHLIMZNG-OXJNMPFZSA-N 2 2 309.457 3.569 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000352761442 336233484 /nfs/dbraw/zinc/23/34/84/336233484.db2.gz XOJFXSVHLIMZNG-OXJNMPFZSA-N 2 2 309.457 3.569 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)s1 ZINC000352772402 336235463 /nfs/dbraw/zinc/23/54/63/336235463.db2.gz QKZKSQUUOKZSNT-OAHLLOKOSA-N 2 2 321.877 3.635 20 0 DHADLP COCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000352800669 336238677 /nfs/dbraw/zinc/23/86/77/336238677.db2.gz POLAHMBKMZSLGM-IRXDYDNUSA-N 2 2 320.477 3.512 20 0 DHADLP COCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000352800669 336238678 /nfs/dbraw/zinc/23/86/78/336238678.db2.gz POLAHMBKMZSLGM-IRXDYDNUSA-N 2 2 320.477 3.512 20 0 DHADLP COCc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000352800669 336238679 /nfs/dbraw/zinc/23/86/79/336238679.db2.gz POLAHMBKMZSLGM-IRXDYDNUSA-N 2 2 320.477 3.512 20 0 DHADLP COCc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000352800669 336238680 /nfs/dbraw/zinc/23/86/80/336238680.db2.gz POLAHMBKMZSLGM-IRXDYDNUSA-N 2 2 320.477 3.512 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]CCCCNc2cccc[nH+]2)cc1F ZINC000352812578 336246255 /nfs/dbraw/zinc/24/62/55/336246255.db2.gz GKYAWSLALICKFG-WAYWQWQTSA-N 2 2 317.383 3.855 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]C3(Cc4ccccc4)CCC3)n2c1 ZINC000532495933 336250880 /nfs/dbraw/zinc/25/08/80/336250880.db2.gz WUVUPXDTXJKICT-UHFFFAOYSA-N 2 2 305.425 3.898 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000352820513 336255449 /nfs/dbraw/zinc/25/54/49/336255449.db2.gz DCJZZZYEKFLAJI-XXYUJHKVSA-N 2 2 321.371 3.566 20 0 DHADLP C[C@H]1CC[N@H+](CCSCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000192692442 336258418 /nfs/dbraw/zinc/25/84/18/336258418.db2.gz GKTVIPPOPIDUPC-WMZOPIPTSA-N 2 2 315.486 3.699 20 0 DHADLP C[C@H]1CC[N@@H+](CCSCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000192692442 336258419 /nfs/dbraw/zinc/25/84/19/336258419.db2.gz GKTVIPPOPIDUPC-WMZOPIPTSA-N 2 2 315.486 3.699 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)CCC2 ZINC000324829765 336261124 /nfs/dbraw/zinc/26/11/24/336261124.db2.gz HXWYDONYWXTFAL-MRXNPFEDSA-N 2 2 321.468 3.890 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000352829122 336267247 /nfs/dbraw/zinc/26/72/47/336267247.db2.gz PTPOHVJOYSOJKO-OLMNPRSZSA-N 2 2 312.457 3.505 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000352829122 336267248 /nfs/dbraw/zinc/26/72/48/336267248.db2.gz PTPOHVJOYSOJKO-OLMNPRSZSA-N 2 2 312.457 3.505 20 0 DHADLP c1cn(C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)c[nH+]1 ZINC000352853980 336280402 /nfs/dbraw/zinc/28/04/02/336280402.db2.gz QKWWOSYLSRRZSI-UHFFFAOYSA-N 2 2 324.453 3.844 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000192946021 336285665 /nfs/dbraw/zinc/28/56/65/336285665.db2.gz GTNJVPMXYJSXLM-LBPRGKRZSA-N 2 2 315.367 3.974 20 0 DHADLP Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)nc(C(C)C)[nH+]1 ZINC000301100610 336290025 /nfs/dbraw/zinc/29/00/25/336290025.db2.gz YIRPEXFCWDQGAJ-UHFFFAOYSA-N 2 2 311.433 3.516 20 0 DHADLP c1ccc2oc(C[N@H+]3CCC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000367138758 336299738 /nfs/dbraw/zinc/29/97/38/336299738.db2.gz IFDISIBAICBRMQ-MRXNPFEDSA-N 2 2 313.445 3.526 20 0 DHADLP c1ccc2oc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000367138758 336299739 /nfs/dbraw/zinc/29/97/39/336299739.db2.gz IFDISIBAICBRMQ-MRXNPFEDSA-N 2 2 313.445 3.526 20 0 DHADLP c1cc2[nH+]ccc(N3CC[NH+](Cc4ccccc4)CC3)c2s1 ZINC000301373870 336303176 /nfs/dbraw/zinc/30/31/76/336303176.db2.gz UVXAZDFNEHLYTA-UHFFFAOYSA-N 2 2 309.438 3.619 20 0 DHADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000301615283 336318387 /nfs/dbraw/zinc/31/83/87/336318387.db2.gz BFRWHKMQOSSPHW-HNNXBMFYSA-N 2 2 315.848 3.927 20 0 DHADLP Cc1cc(N(C)C2CC[NH+](C(C)C)CC2)c2cccc(F)c2[nH+]1 ZINC000301641011 336320176 /nfs/dbraw/zinc/32/01/76/336320176.db2.gz BHDQJYQJGIDLKY-UHFFFAOYSA-N 2 2 315.436 3.991 20 0 DHADLP Cc1cc[nH+]c(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000301644011 336320250 /nfs/dbraw/zinc/32/02/50/336320250.db2.gz OPMQVXOOPIEENT-UHFFFAOYSA-N 2 2 315.848 3.756 20 0 DHADLP Cc1cc[nH+]c(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000301644011 336320251 /nfs/dbraw/zinc/32/02/51/336320251.db2.gz OPMQVXOOPIEENT-UHFFFAOYSA-N 2 2 315.848 3.756 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000301708437 336324852 /nfs/dbraw/zinc/32/48/52/336324852.db2.gz HAZDLWYAYVLASZ-INIZCTEOSA-N 2 2 320.440 3.736 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301716931 336325287 /nfs/dbraw/zinc/32/52/87/336325287.db2.gz XXLCTMIPLCLECJ-UHFFFAOYSA-N 2 2 309.457 3.855 20 0 DHADLP CC[N@H+](C)C[C@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000301833305 336333037 /nfs/dbraw/zinc/33/30/37/336333037.db2.gz UUMCZHVHUGOHIN-OAHLLOKOSA-N 2 2 304.482 3.501 20 0 DHADLP CC[N@@H+](C)C[C@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000301833305 336333038 /nfs/dbraw/zinc/33/30/38/336333038.db2.gz UUMCZHVHUGOHIN-OAHLLOKOSA-N 2 2 304.482 3.501 20 0 DHADLP CC[NH+](CC)[C@@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000301863228 336334929 /nfs/dbraw/zinc/33/49/29/336334929.db2.gz LQKYMPZPAFHJAE-OAHLLOKOSA-N 2 2 304.482 3.644 20 0 DHADLP C[NH+](C)CC1(CNc2cc(C(F)(F)F)cc[nH+]2)CCCC1 ZINC000302163328 336351758 /nfs/dbraw/zinc/35/17/58/336351758.db2.gz QEXONAXDJGNCMD-UHFFFAOYSA-N 2 2 301.356 3.634 20 0 DHADLP CC(C)c1nc(N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302897043 336373759 /nfs/dbraw/zinc/37/37/59/336373759.db2.gz PFWWPFQOKFWBEJ-HUUCEWRRSA-N 2 2 318.509 3.816 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1cccc(C)c1 ZINC000353528030 336422738 /nfs/dbraw/zinc/42/27/38/336422738.db2.gz FRKQUWCORJGLGG-IBGZPJMESA-N 2 2 318.505 3.925 20 0 DHADLP C[C@@H](c1ccccc1Br)[NH+]1CCC([NH+](C)C)CC1 ZINC000353853914 336444061 /nfs/dbraw/zinc/44/40/61/336444061.db2.gz HGBWFCBCSMNIKL-LBPRGKRZSA-N 2 2 311.267 3.536 20 0 DHADLP Cc1csc(C2([NH2+]CCCc3ccc(C)[nH+]c3)CCC2)n1 ZINC000354176214 336462432 /nfs/dbraw/zinc/46/24/32/336462432.db2.gz VQLLCSLHZSALCO-UHFFFAOYSA-N 2 2 301.459 3.757 20 0 DHADLP CSc1ccc(F)cc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354456866 336471309 /nfs/dbraw/zinc/47/13/09/336471309.db2.gz HXMRHVJBWPKORL-UHFFFAOYSA-N 2 2 304.434 3.973 20 0 DHADLP C[NH+]1CCC([C@H]2CCN(c3[nH+]ccc4ccc(F)cc43)C2)CC1 ZINC000354876842 336486061 /nfs/dbraw/zinc/48/60/61/336486061.db2.gz KHFRTZGCDDYESJ-INIZCTEOSA-N 2 2 313.420 3.542 20 0 DHADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000354935644 336488331 /nfs/dbraw/zinc/48/83/31/336488331.db2.gz RBTCTPMKNLHRFA-ZIAGYGMSSA-N 2 2 317.502 3.862 20 0 DHADLP Cc1cc(Br)cn2c(C[NH2+]CCC3(C)CC3)c[nH+]c12 ZINC000355130600 336495859 /nfs/dbraw/zinc/49/58/59/336495859.db2.gz JWHYHCUKSAKOLQ-UHFFFAOYSA-N 2 2 322.250 3.685 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)Cc1cccc(Cl)c1)CCC2 ZINC000367224469 336539301 /nfs/dbraw/zinc/53/93/01/336539301.db2.gz MDRQAUSAOCGCGY-BBRMVZONSA-N 2 2 317.864 3.943 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000356873711 336564318 /nfs/dbraw/zinc/56/43/18/336564318.db2.gz QAGPMLHLZSLXSO-CQSZACIVSA-N 2 2 324.403 3.820 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(c2ccccc2CO)CC1 ZINC000367315987 336635978 /nfs/dbraw/zinc/63/59/78/336635978.db2.gz BUEPRMOSZUDIIS-UHFFFAOYSA-N 2 2 324.468 3.695 20 0 DHADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc2cc(OC)ccc2c1 ZINC000359513015 336675561 /nfs/dbraw/zinc/67/55/61/336675561.db2.gz MYRTVFGEIAFJOV-FQEVSTJZSA-N 2 2 312.457 3.985 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000360413505 336710865 /nfs/dbraw/zinc/71/08/65/336710865.db2.gz LLOVCEAJDADHPQ-KRWDZBQOSA-N 2 2 309.457 3.705 20 0 DHADLP COC[C@H]([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000361355536 336753207 /nfs/dbraw/zinc/75/32/07/336753207.db2.gz NCYYDAWEWDDXIN-SFHVURJKSA-N 2 2 315.461 3.530 20 0 DHADLP CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000361481186 336758378 /nfs/dbraw/zinc/75/83/78/336758378.db2.gz KFRCSGPXUMZBNG-OAHLLOKOSA-N 2 2 309.417 3.501 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCS2 ZINC000367438197 336822707 /nfs/dbraw/zinc/82/27/07/336822707.db2.gz LHICEZDENXRARD-OAHLLOKOSA-N 2 2 317.433 3.685 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1cccc(C)c1 ZINC000367517584 336824182 /nfs/dbraw/zinc/82/41/82/336824182.db2.gz CGMAFKGBUPJQGG-GOSISDBHSA-N 2 2 306.413 3.817 20 0 DHADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(C2CC2)cc1 ZINC000418117025 336852523 /nfs/dbraw/zinc/85/25/23/336852523.db2.gz SFBMAJFASLUNIL-CYBMUJFWSA-N 2 2 315.486 3.933 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccc(C)cc1 ZINC000370646356 336889507 /nfs/dbraw/zinc/88/95/07/336889507.db2.gz SLPIZLWCQPYMKF-GOSISDBHSA-N 2 2 306.413 3.817 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1F ZINC000373519360 336963557 /nfs/dbraw/zinc/96/35/57/336963557.db2.gz IYCHAKVHAKWPRP-JEYLPNPQSA-N 2 2 306.425 3.502 20 0 DHADLP Cc1ccc2c(c1)[nH]cc2C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000375005042 337001387 /nfs/dbraw/zinc/00/13/87/337001387.db2.gz MCILVNIFYYFMCY-UHFFFAOYSA-N 2 2 322.456 3.943 20 0 DHADLP CCCCCC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375016530 337001582 /nfs/dbraw/zinc/00/15/82/337001582.db2.gz YMNYTRCSRXUVBH-UHFFFAOYSA-N 2 2 303.494 3.601 20 0 DHADLP CCCCCC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375016530 337001583 /nfs/dbraw/zinc/00/15/83/337001583.db2.gz YMNYTRCSRXUVBH-UHFFFAOYSA-N 2 2 303.494 3.601 20 0 DHADLP CC/C=C/CC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375485662 337011978 /nfs/dbraw/zinc/01/19/78/337011978.db2.gz HITAEIZEWQKSQD-SCYVGKGRSA-N 2 2 307.507 3.608 20 0 DHADLP CC/C=C/CC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375485662 337011979 /nfs/dbraw/zinc/01/19/79/337011979.db2.gz HITAEIZEWQKSQD-SCYVGKGRSA-N 2 2 307.507 3.608 20 0 DHADLP c1ccc(N2CCC([NH2+][C@@H](c3cccnc3)C3CCC3)CC2)[nH+]c1 ZINC000375529150 337012863 /nfs/dbraw/zinc/01/28/63/337012863.db2.gz ZUECFLCYGOYRRX-HXUWFJFHSA-N 2 2 322.456 3.576 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)[NH+]2CCCC2)cc1 ZINC000375896280 337022596 /nfs/dbraw/zinc/02/25/96/337022596.db2.gz VKDYQOIKFBXWMN-UYAOXDASSA-N 2 2 324.472 3.522 20 0 DHADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000375958667 337024211 /nfs/dbraw/zinc/02/42/11/337024211.db2.gz DBSYFMPUBLHREV-LPHOPBHVSA-N 2 2 319.468 3.554 20 0 DHADLP C[C@@]1(c2cccc(C(F)(F)F)c2)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000376538359 337036172 /nfs/dbraw/zinc/03/61/72/337036172.db2.gz FJFGZQYLAQDLKE-MRXNPFEDSA-N 2 2 323.362 3.566 20 0 DHADLP C[C@@]1(c2cccc(C(F)(F)F)c2)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000376538359 337036173 /nfs/dbraw/zinc/03/61/73/337036173.db2.gz FJFGZQYLAQDLKE-MRXNPFEDSA-N 2 2 323.362 3.566 20 0 DHADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000376692042 337039671 /nfs/dbraw/zinc/03/96/71/337039671.db2.gz UYOLOSDTXPAOEU-YYWHXJBOSA-N 2 2 323.484 3.685 20 0 DHADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000376692042 337039672 /nfs/dbraw/zinc/03/96/72/337039672.db2.gz UYOLOSDTXPAOEU-YYWHXJBOSA-N 2 2 323.484 3.685 20 0 DHADLP Clc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(Cl)c1 ZINC000376729823 337040120 /nfs/dbraw/zinc/04/01/20/337040120.db2.gz TYHBGIWEIYYNTC-UHFFFAOYSA-N 2 2 310.228 3.816 20 0 DHADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377411411 337052236 /nfs/dbraw/zinc/05/22/36/337052236.db2.gz LDZXCTHCLRUGGS-WDEREUQCSA-N 2 2 324.255 3.795 20 0 DHADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377411411 337052237 /nfs/dbraw/zinc/05/22/37/337052237.db2.gz LDZXCTHCLRUGGS-WDEREUQCSA-N 2 2 324.255 3.795 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000377411674 337052302 /nfs/dbraw/zinc/05/23/02/337052302.db2.gz LRQYUJMNOHHTCO-MFKMUULPSA-N 2 2 309.335 3.637 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000377411674 337052303 /nfs/dbraw/zinc/05/23/03/337052303.db2.gz LRQYUJMNOHHTCO-MFKMUULPSA-N 2 2 309.335 3.637 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000377711874 337059312 /nfs/dbraw/zinc/05/93/12/337059312.db2.gz CRIIOBPVOUXIBO-HNNXBMFYSA-N 2 2 324.428 3.812 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000377711874 337059313 /nfs/dbraw/zinc/05/93/13/337059313.db2.gz CRIIOBPVOUXIBO-HNNXBMFYSA-N 2 2 324.428 3.812 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2F)[C@H]1c1ccccc1 ZINC000377763131 337060509 /nfs/dbraw/zinc/06/05/09/337060509.db2.gz QTHCXZFMUQYNKD-DNVCBOLYSA-N 2 2 316.395 3.747 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2F)[C@H]1c1ccccc1 ZINC000377763131 337060510 /nfs/dbraw/zinc/06/05/10/337060510.db2.gz QTHCXZFMUQYNKD-DNVCBOLYSA-N 2 2 316.395 3.747 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)ccc1Cl ZINC000377799222 337061445 /nfs/dbraw/zinc/06/14/45/337061445.db2.gz RZKCKUYTQZSPSA-MWLCHTKSSA-N 2 2 310.228 3.925 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000377887241 337063401 /nfs/dbraw/zinc/06/34/01/337063401.db2.gz DNHZDWLWUADSPL-ROKHWSDSSA-N 2 2 315.383 3.578 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000377887241 337063402 /nfs/dbraw/zinc/06/34/02/337063402.db2.gz DNHZDWLWUADSPL-ROKHWSDSSA-N 2 2 315.383 3.578 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CC3CCCCC3)[C@@H](C)C2)s1 ZINC000378243579 337068599 /nfs/dbraw/zinc/06/85/99/337068599.db2.gz NJTQIHRURGYBHL-KSSFIOAISA-N 2 2 321.534 3.832 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CC3CCCCC3)[C@@H](C)C2)s1 ZINC000378243579 337068600 /nfs/dbraw/zinc/06/86/00/337068600.db2.gz NJTQIHRURGYBHL-KSSFIOAISA-N 2 2 321.534 3.832 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC=CCC3)[C@@H](C)C2)s1 ZINC000378245132 337068605 /nfs/dbraw/zinc/06/86/05/337068605.db2.gz SFDYLNCZHBBYJF-LESCRADOSA-N 2 2 319.518 3.608 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC=CCC3)[C@@H](C)C2)s1 ZINC000378245132 337068606 /nfs/dbraw/zinc/06/86/06/337068606.db2.gz SFDYLNCZHBBYJF-LESCRADOSA-N 2 2 319.518 3.608 20 0 DHADLP Cc1nc(CC[N@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)cs1 ZINC000378353886 337070823 /nfs/dbraw/zinc/07/08/23/337070823.db2.gz HHVBGDBFJGAWQO-INIZCTEOSA-N 2 2 318.490 3.651 20 0 DHADLP Cc1nc(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)cs1 ZINC000378353886 337070824 /nfs/dbraw/zinc/07/08/24/337070824.db2.gz HHVBGDBFJGAWQO-INIZCTEOSA-N 2 2 318.490 3.651 20 0 DHADLP Cn1cc[nH+]c1-c1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000378403293 337071897 /nfs/dbraw/zinc/07/18/97/337071897.db2.gz XLLSGOZVEPDVPN-IBGZPJMESA-N 2 2 303.409 3.864 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)cc1 ZINC000360063230 337084832 /nfs/dbraw/zinc/08/48/32/337084832.db2.gz XZUPVISUIODNBQ-OAHLLOKOSA-N 2 2 321.424 3.947 20 0 DHADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)cc1 ZINC000360063229 337084925 /nfs/dbraw/zinc/08/49/25/337084925.db2.gz XZUPVISUIODNBQ-HNNXBMFYSA-N 2 2 321.424 3.947 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1OCC1CC1 ZINC000582513353 337099693 /nfs/dbraw/zinc/09/96/93/337099693.db2.gz BASDYLNOENKPCN-UHFFFAOYSA-N 2 2 310.441 3.901 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582551102 337104102 /nfs/dbraw/zinc/10/41/02/337104102.db2.gz MKTODEDBFLHBBM-ZDUSSCGKSA-N 2 2 316.395 3.804 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582551102 337104103 /nfs/dbraw/zinc/10/41/03/337104103.db2.gz MKTODEDBFLHBBM-ZDUSSCGKSA-N 2 2 316.395 3.804 20 0 DHADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000582644618 337119953 /nfs/dbraw/zinc/11/99/53/337119953.db2.gz LQXATVFPHNHDAX-WOJBJXKFSA-N 2 2 324.468 3.965 20 0 DHADLP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000173950676 337137863 /nfs/dbraw/zinc/13/78/63/337137863.db2.gz URHGJGZYDMEETH-KRWDZBQOSA-N 2 2 309.457 3.705 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccsc1 ZINC000178623974 337165575 /nfs/dbraw/zinc/16/55/75/337165575.db2.gz BJFHTXRQTVTWPF-GFCCVEGCSA-N 2 2 301.390 3.924 20 0 DHADLP Clc1ccc(/C=C/C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000179704282 337169003 /nfs/dbraw/zinc/16/90/03/337169003.db2.gz MHKSSEJBEHBYRU-OWOJBTEDSA-N 2 2 301.821 3.887 20 0 DHADLP C[C@@H]([NH2+]CCOc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180677100 337177259 /nfs/dbraw/zinc/17/72/59/337177259.db2.gz LAVSXILTLJIWLH-MRXNPFEDSA-N 2 2 307.397 3.602 20 0 DHADLP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1nc2c(s1)CCCC2 ZINC000183953912 337195848 /nfs/dbraw/zinc/19/58/48/337195848.db2.gz QWNHASJVRNGOFG-CQSZACIVSA-N 2 2 321.534 3.795 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000184734287 337199229 /nfs/dbraw/zinc/19/92/29/337199229.db2.gz YRNDUOZDQJPOME-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000184734287 337199230 /nfs/dbraw/zinc/19/92/30/337199230.db2.gz YRNDUOZDQJPOME-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP C[N@H+](C[C@@H]1CCC(C)(C)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000184656657 337199720 /nfs/dbraw/zinc/19/97/20/337199720.db2.gz AGZWCUCUXFWILT-IBGZPJMESA-N 2 2 316.489 3.540 20 0 DHADLP C[N@@H+](C[C@@H]1CCC(C)(C)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000184656657 337199721 /nfs/dbraw/zinc/19/97/21/337199721.db2.gz AGZWCUCUXFWILT-IBGZPJMESA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1OC(F)F ZINC000582857379 337211522 /nfs/dbraw/zinc/21/15/22/337211522.db2.gz NAACAHRRLJSEEN-AWEZNQCLSA-N 2 2 309.360 3.571 20 0 DHADLP FCC1([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000582904764 337213860 /nfs/dbraw/zinc/21/38/60/337213860.db2.gz KOJSZUVBHIVXKG-UHFFFAOYSA-N 2 2 310.844 3.786 20 0 DHADLP C[N@H+](CC[NH2+][C@H](c1cccs1)C1CC1)Cc1ccccc1 ZINC000395701302 337226951 /nfs/dbraw/zinc/22/69/51/337226951.db2.gz LKJMVWLFZGPHGT-SFHVURJKSA-N 2 2 300.471 3.921 20 0 DHADLP C[N@@H+](CC[NH2+][C@H](c1cccs1)C1CC1)Cc1ccccc1 ZINC000395701302 337226952 /nfs/dbraw/zinc/22/69/52/337226952.db2.gz LKJMVWLFZGPHGT-SFHVURJKSA-N 2 2 300.471 3.921 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000583172033 337252128 /nfs/dbraw/zinc/25/21/28/337252128.db2.gz QQJGKROWNJJTBK-FQEVSTJZSA-N 3 2 315.505 3.709 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000583172033 337252129 /nfs/dbraw/zinc/25/21/29/337252129.db2.gz QQJGKROWNJJTBK-FQEVSTJZSA-N 3 2 315.505 3.709 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCSCC1 ZINC000186991919 337262061 /nfs/dbraw/zinc/26/20/61/337262061.db2.gz VCBYZADCMNKQCB-HNNXBMFYSA-N 2 2 315.486 3.553 20 0 DHADLP c1cc(OCC2CC2)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000191216453 337294981 /nfs/dbraw/zinc/29/49/81/337294981.db2.gz RZPDXXJIOOTJFW-UHFFFAOYSA-N 2 2 314.473 3.536 20 0 DHADLP CSC[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192077716 337302407 /nfs/dbraw/zinc/30/24/07/337302407.db2.gz YOOVYMFBNCCQET-KRWDZBQOSA-N 2 2 301.459 3.508 20 0 DHADLP CSC[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192077716 337302408 /nfs/dbraw/zinc/30/24/08/337302408.db2.gz YOOVYMFBNCCQET-KRWDZBQOSA-N 2 2 301.459 3.508 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000192144125 337303206 /nfs/dbraw/zinc/30/32/06/337303206.db2.gz ZBKMXLBKCRNPPT-UHFFFAOYSA-N 2 2 318.424 3.740 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000192144125 337303207 /nfs/dbraw/zinc/30/32/07/337303207.db2.gz ZBKMXLBKCRNPPT-UHFFFAOYSA-N 2 2 318.424 3.740 20 0 DHADLP COc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc2ccccc21 ZINC000583303199 337312173 /nfs/dbraw/zinc/31/21/73/337312173.db2.gz DDXQSFWGPHHQIK-UHFFFAOYSA-N 2 2 321.424 3.671 20 0 DHADLP c1ccc2sc([C@@H]3CCC[N@H+]3CCC[NH+]3CCCC3)nc2c1 ZINC000193464806 337326723 /nfs/dbraw/zinc/32/67/23/337326723.db2.gz VZJBHPMWXBFTHN-INIZCTEOSA-N 2 2 315.486 3.919 20 0 DHADLP c1ccc2sc([C@@H]3CCC[N@@H+]3CCC[NH+]3CCCC3)nc2c1 ZINC000193464806 337326724 /nfs/dbraw/zinc/32/67/24/337326724.db2.gz VZJBHPMWXBFTHN-INIZCTEOSA-N 2 2 315.486 3.919 20 0 DHADLP COCC[N@H+](C)CC[NH2+][C@H](C)c1ccc(-c2ccccc2)s1 ZINC000584497192 337350260 /nfs/dbraw/zinc/35/02/60/337350260.db2.gz MYIYTMXUZLFUGU-OAHLLOKOSA-N 2 2 318.486 3.644 20 0 DHADLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1ccc(-c2ccccc2)s1 ZINC000584497192 337350261 /nfs/dbraw/zinc/35/02/61/337350261.db2.gz MYIYTMXUZLFUGU-OAHLLOKOSA-N 2 2 318.486 3.644 20 0 DHADLP COC1(C[C@H](C)[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000429359747 337441716 /nfs/dbraw/zinc/44/17/16/337441716.db2.gz CSUXAVWKBOXEKL-JKSUJKDBSA-N 2 2 322.518 3.822 20 0 DHADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)cc2)c[nH+]1 ZINC000236577181 337463656 /nfs/dbraw/zinc/46/36/56/337463656.db2.gz XNMPSBDUSHJDKD-AZUAARDMSA-N 2 2 303.409 3.766 20 0 DHADLP CC(C)c1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000420223261 337496830 /nfs/dbraw/zinc/49/68/30/337496830.db2.gz ZXXPRQXTCCAVIU-INIZCTEOSA-N 2 2 316.493 3.692 20 0 DHADLP Cc1ccc(-c2cc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)on2)cc1 ZINC000420363821 337499883 /nfs/dbraw/zinc/49/98/83/337499883.db2.gz JWQIWXSLGWHNLP-IBGZPJMESA-N 2 2 313.445 3.647 20 0 DHADLP CC(C)[C@H]1CC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000571904405 337581693 /nfs/dbraw/zinc/58/16/93/337581693.db2.gz DFMGEYNKJBZBAZ-FJBKBRRZSA-N 2 2 318.427 3.816 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccncc1Cl ZINC000421840238 337653280 /nfs/dbraw/zinc/65/32/80/337653280.db2.gz YJOGNYDQLQPNAZ-LBPRGKRZSA-N 2 2 321.827 3.787 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)on1 ZINC000422780885 337686322 /nfs/dbraw/zinc/68/63/22/337686322.db2.gz HTSUHVZQJCNPOP-YESZJQIVSA-N 2 2 305.466 3.589 20 0 DHADLP CSCc1cc(F)ccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422862480 337689124 /nfs/dbraw/zinc/68/91/24/337689124.db2.gz KKDJBYRWRLRPCZ-QZTJIDSGSA-N 2 2 316.445 3.923 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)c(C)c2c1 ZINC000422857578 337689129 /nfs/dbraw/zinc/68/91/29/337689129.db2.gz HALAHCGWFUAZEN-HEHGZKQESA-N 2 2 302.418 3.541 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3c(F)cccc32)c2ccccc21 ZINC000423046309 337697005 /nfs/dbraw/zinc/69/70/05/337697005.db2.gz TZGTXSNSDVOOKB-KZNAEPCWSA-N 2 2 312.388 3.774 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCc2sc(Cl)cc21)c1c[nH+]ccc1N ZINC000423131787 337700897 /nfs/dbraw/zinc/70/08/97/337700897.db2.gz OJSYBBDRLGTOJQ-NOZJJQNGSA-N 2 2 307.850 3.937 20 0 DHADLP [NH3+]C1(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CCCCC1 ZINC000423188455 337703058 /nfs/dbraw/zinc/70/30/58/337703058.db2.gz ZGKFYLLXHTUHBB-SFHVURJKSA-N 2 2 313.420 3.561 20 0 DHADLP Fc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccc(Cl)cc2)cc1 ZINC000423187725 337703097 /nfs/dbraw/zinc/70/30/97/337703097.db2.gz PHZPPJCXBMTDNA-GOSISDBHSA-N 2 2 318.823 3.910 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423216295 337705010 /nfs/dbraw/zinc/70/50/10/337705010.db2.gz OIXLZIRDISCSEJ-OFQRWUPVSA-N 2 2 315.486 3.849 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000423234257 337706386 /nfs/dbraw/zinc/70/63/86/337706386.db2.gz FKIMAYSNMUVIRW-MANSERQUSA-N 2 2 316.489 3.603 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(OCc2ccccc2)c1 ZINC000423240394 337706593 /nfs/dbraw/zinc/70/65/93/337706593.db2.gz TUUTVLKVFDEUFG-APWZRJJASA-N 2 2 310.441 3.668 20 0 DHADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423250082 337707294 /nfs/dbraw/zinc/70/72/94/337707294.db2.gz UNJWBGXCMGVQFI-OTWHNJEPSA-N 2 2 304.478 3.605 20 0 DHADLP Cc1c([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cnn1C(C)C ZINC000423281268 337709186 /nfs/dbraw/zinc/70/91/86/337709186.db2.gz UBIWLYYMXQLTLV-HNNXBMFYSA-N 2 2 306.498 3.735 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000423297064 337710970 /nfs/dbraw/zinc/71/09/70/337710970.db2.gz IOWSXVUXIZNBBI-DZGCQCFKSA-N 2 2 303.475 3.978 20 0 DHADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423329603 337712298 /nfs/dbraw/zinc/71/22/98/337712298.db2.gz OSPNJTLOCFOXCI-SFYZADRCSA-N 2 2 314.273 3.722 20 0 DHADLP [NH3+][C@H](C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)C1CC1 ZINC000423326784 337715369 /nfs/dbraw/zinc/71/53/69/337715369.db2.gz RCXJMHDNZMKVCQ-QZTJIDSGSA-N 2 2 318.823 3.895 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423377900 337717532 /nfs/dbraw/zinc/71/75/32/337717532.db2.gz KQNVTAPSBITWGR-KDOFPFPSSA-N 2 2 317.864 3.606 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cnc2ccsc2c1 ZINC000423394845 337718553 /nfs/dbraw/zinc/71/85/53/337718553.db2.gz SDQRFEUQAQNLIC-WBMJQRKESA-N 2 2 303.475 3.725 20 0 DHADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423432201 337718680 /nfs/dbraw/zinc/71/86/80/337718680.db2.gz QSPNBKGTYQAFEU-SLYNCCJLSA-N 2 2 321.468 3.584 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423432952 337718889 /nfs/dbraw/zinc/71/88/89/337718889.db2.gz RFUQWXIUANVWIU-ZOCZFRKYSA-N 2 2 324.468 3.664 20 0 DHADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(C)s1 ZINC000423535200 337724899 /nfs/dbraw/zinc/72/48/99/337724899.db2.gz XDMGQIFFNPHALM-DOPJRALCSA-N 2 2 300.471 3.771 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCC[C@@H](c3ccccc3)CC1)CC2 ZINC000527695138 337760334 /nfs/dbraw/zinc/76/03/34/337760334.db2.gz MXCRMESARYLSOM-QRVBRYPASA-N 2 2 309.457 3.904 20 0 DHADLP CC(C)n1c[nH+]cc1CNc1cccc(CC[NH+]2CCCC2)c1 ZINC000424152766 337777467 /nfs/dbraw/zinc/77/74/67/337777467.db2.gz HKJPLSVYJTVRNI-UHFFFAOYSA-N 2 2 312.461 3.714 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ncccc1F ZINC000528036313 337782589 /nfs/dbraw/zinc/78/25/89/337782589.db2.gz PIJNVCJWVMQRGV-MPGHIAIKSA-N 2 2 319.468 3.914 20 0 DHADLP Cc1ccc(C[NH+]2CCCC2)cc1NCc1c[nH+]cn1C(C)C ZINC000424157048 337784285 /nfs/dbraw/zinc/78/42/85/337784285.db2.gz QJPXMXSBSYCGKL-UHFFFAOYSA-N 2 2 312.461 3.980 20 0 DHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000045094479 337818969 /nfs/dbraw/zinc/81/89/69/337818969.db2.gz SUBVUKYYUMNCAB-CYBMUJFWSA-N 2 2 322.250 3.777 20 0 DHADLP COc1cccc2c(C[NH2+]Cc3c[nH+]c4n3CCCC4)cccc12 ZINC000515984247 338001942 /nfs/dbraw/zinc/00/19/42/338001942.db2.gz JTZBASFJKXWKJK-UHFFFAOYSA-N 2 2 321.424 3.671 20 0 DHADLP Cc1nc2ccc(C[NH+]3CCC([NH2+]C(C)C)CC3)cc2s1 ZINC000426397915 338030464 /nfs/dbraw/zinc/03/04/64/338030464.db2.gz VKLOFHRWJWBMFT-UHFFFAOYSA-N 2 2 303.475 3.567 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000428248327 338044285 /nfs/dbraw/zinc/04/42/85/338044285.db2.gz PVJAWBLQTXUJAZ-MRXNPFEDSA-N 2 2 305.466 3.557 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000428248327 338044286 /nfs/dbraw/zinc/04/42/86/338044286.db2.gz PVJAWBLQTXUJAZ-MRXNPFEDSA-N 2 2 305.466 3.557 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428864161 338063042 /nfs/dbraw/zinc/06/30/42/338063042.db2.gz BUNFYGSHELXGBD-UHFFFAOYSA-N 2 2 321.465 3.788 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000428876671 338064126 /nfs/dbraw/zinc/06/41/26/338064126.db2.gz NWLAZMBQYFACNS-UHFFFAOYSA-N 2 2 300.349 3.803 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000429543703 338083529 /nfs/dbraw/zinc/08/35/29/338083529.db2.gz VMSJYKBGGVSSAQ-QGZVFWFLSA-N 2 2 315.486 3.726 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000429543703 338083530 /nfs/dbraw/zinc/08/35/30/338083530.db2.gz VMSJYKBGGVSSAQ-QGZVFWFLSA-N 2 2 315.486 3.726 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430079493 338094979 /nfs/dbraw/zinc/09/49/79/338094979.db2.gz RRCSODRJEJXDJI-QGZVFWFLSA-N 2 2 323.484 3.754 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000430079493 338094980 /nfs/dbraw/zinc/09/49/80/338094980.db2.gz RRCSODRJEJXDJI-QGZVFWFLSA-N 2 2 323.484 3.754 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000430092267 338095976 /nfs/dbraw/zinc/09/59/76/338095976.db2.gz YMXWNBCEROTPDH-RHSMWYFYSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000430092267 338095977 /nfs/dbraw/zinc/09/59/77/338095977.db2.gz YMXWNBCEROTPDH-RHSMWYFYSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000430225079 338102228 /nfs/dbraw/zinc/10/22/28/338102228.db2.gz IUVFTEUWTRMJCW-JXFKEZNVSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000430225079 338102229 /nfs/dbraw/zinc/10/22/29/338102229.db2.gz IUVFTEUWTRMJCW-JXFKEZNVSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430554191 338108527 /nfs/dbraw/zinc/10/85/27/338108527.db2.gz PUJFSKALHQTENR-XQQFMLRXSA-N 2 2 322.403 3.552 20 0 DHADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430554191 338108528 /nfs/dbraw/zinc/10/85/28/338108528.db2.gz PUJFSKALHQTENR-XQQFMLRXSA-N 2 2 322.403 3.552 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430559939 338108626 /nfs/dbraw/zinc/10/86/26/338108626.db2.gz USSRSKKGUZVNQH-GOSISDBHSA-N 2 2 308.416 3.880 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000430584171 338109249 /nfs/dbraw/zinc/10/92/49/338109249.db2.gz OCOZFDYSZPOFPY-OLZOCXBDSA-N 2 2 324.419 3.798 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000430584171 338109250 /nfs/dbraw/zinc/10/92/50/338109250.db2.gz OCOZFDYSZPOFPY-OLZOCXBDSA-N 2 2 324.419 3.798 20 0 DHADLP CCC[N@H+](Cc1nc(-c2ccsc2)oc1C)C1CC[NH2+]CC1 ZINC000431089493 338122181 /nfs/dbraw/zinc/12/21/81/338122181.db2.gz ZPQPYHMYHVOGNS-UHFFFAOYSA-N 2 2 319.474 3.676 20 0 DHADLP CCC[N@@H+](Cc1nc(-c2ccsc2)oc1C)C1CC[NH2+]CC1 ZINC000431089493 338122182 /nfs/dbraw/zinc/12/21/82/338122182.db2.gz ZPQPYHMYHVOGNS-UHFFFAOYSA-N 2 2 319.474 3.676 20 0 DHADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432237705 338149591 /nfs/dbraw/zinc/14/95/91/338149591.db2.gz JOANWNUFHQOONU-JTQLQIEISA-N 2 2 305.224 3.564 20 0 DHADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432237705 338149592 /nfs/dbraw/zinc/14/95/92/338149592.db2.gz JOANWNUFHQOONU-JTQLQIEISA-N 2 2 305.224 3.564 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C2CCC2)o1 ZINC000432413591 338155557 /nfs/dbraw/zinc/15/55/57/338155557.db2.gz NCZLNRNUYQVEFL-LPHOPBHVSA-N 2 2 320.477 3.520 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CCC2)o1 ZINC000432413591 338155558 /nfs/dbraw/zinc/15/55/58/338155558.db2.gz NCZLNRNUYQVEFL-LPHOPBHVSA-N 2 2 320.477 3.520 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432721353 338164117 /nfs/dbraw/zinc/16/41/17/338164117.db2.gz VTXDNQASRMSHOM-GFCCVEGCSA-N 2 2 320.424 3.931 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432721353 338164118 /nfs/dbraw/zinc/16/41/18/338164118.db2.gz VTXDNQASRMSHOM-GFCCVEGCSA-N 2 2 320.424 3.931 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432721353 338164119 /nfs/dbraw/zinc/16/41/19/338164119.db2.gz VTXDNQASRMSHOM-GFCCVEGCSA-N 2 2 320.424 3.931 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432721353 338164120 /nfs/dbraw/zinc/16/41/20/338164120.db2.gz VTXDNQASRMSHOM-GFCCVEGCSA-N 2 2 320.424 3.931 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432726917 338164329 /nfs/dbraw/zinc/16/43/29/338164329.db2.gz HEIOBUUIZOXADV-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432726917 338164330 /nfs/dbraw/zinc/16/43/30/338164330.db2.gz HEIOBUUIZOXADV-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432726917 338164331 /nfs/dbraw/zinc/16/43/31/338164331.db2.gz HEIOBUUIZOXADV-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432726917 338164332 /nfs/dbraw/zinc/16/43/32/338164332.db2.gz HEIOBUUIZOXADV-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432739057 338165329 /nfs/dbraw/zinc/16/53/29/338165329.db2.gz OSESENREHQTXHP-LBPRGKRZSA-N 2 2 320.424 3.931 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000432739057 338165330 /nfs/dbraw/zinc/16/53/30/338165330.db2.gz OSESENREHQTXHP-LBPRGKRZSA-N 2 2 320.424 3.931 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000435054437 338231070 /nfs/dbraw/zinc/23/10/70/338231070.db2.gz CHMXEXVGPKKRON-MRXNPFEDSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000435054437 338231071 /nfs/dbraw/zinc/23/10/71/338231071.db2.gz CHMXEXVGPKKRON-MRXNPFEDSA-N 2 2 302.805 3.697 20 0 DHADLP C[N@H+](Cc1csc(C2CCCCC2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435624655 338243814 /nfs/dbraw/zinc/24/38/14/338243814.db2.gz YFVDJEKOSNFYAQ-INIZCTEOSA-N 2 2 307.507 3.765 20 0 DHADLP C[N@@H+](Cc1csc(C2CCCCC2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435624655 338243815 /nfs/dbraw/zinc/24/38/15/338243815.db2.gz YFVDJEKOSNFYAQ-INIZCTEOSA-N 2 2 307.507 3.765 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H]3C[C@H](c4ccccc4F)C3)c[nH+]c12 ZINC000435783740 338248936 /nfs/dbraw/zinc/24/89/36/338248936.db2.gz ZEXVNJQJQLQDGA-SHTZXODSSA-N 2 2 309.388 3.818 20 0 DHADLP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC000436235674 338262824 /nfs/dbraw/zinc/26/28/24/338262824.db2.gz ALSYRDBCKNVMCS-QGZVFWFLSA-N 2 2 308.510 3.580 20 0 DHADLP COCCC1(C[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CCCCC1 ZINC000436235674 338262825 /nfs/dbraw/zinc/26/28/25/338262825.db2.gz ALSYRDBCKNVMCS-QGZVFWFLSA-N 2 2 308.510 3.580 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436255863 338263901 /nfs/dbraw/zinc/26/39/01/338263901.db2.gz ZEKVBGZVCAFGFW-UHFFFAOYSA-N 2 2 322.387 3.755 20 0 DHADLP COc1ccc(C2CCC([NH2+]CC3([NH+](C)C)CCC3)CC2)cc1 ZINC000437103177 338300996 /nfs/dbraw/zinc/30/09/96/338300996.db2.gz IVLJFAPVTBHAHV-UHFFFAOYSA-N 2 2 316.489 3.795 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)CCC2 ZINC000438203969 338336396 /nfs/dbraw/zinc/33/63/96/338336396.db2.gz XKBNGFUOXNCULV-MJBXVCDLSA-N 2 2 315.383 3.780 20 0 DHADLP CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000438480639 338345405 /nfs/dbraw/zinc/34/54/05/338345405.db2.gz TVJTZJJQZPVMGL-HNNXBMFYSA-N 2 2 311.351 3.939 20 0 DHADLP CC[C@@H](F)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000440793820 338397722 /nfs/dbraw/zinc/39/77/22/338397722.db2.gz ATZQJVXPVNEXOF-MOPGFXCFSA-N 2 2 304.453 3.723 20 0 DHADLP CC[C@@H](F)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000440793820 338397723 /nfs/dbraw/zinc/39/77/23/338397723.db2.gz ATZQJVXPVNEXOF-MOPGFXCFSA-N 2 2 304.453 3.723 20 0 DHADLP CC[C@@H](F)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000440793820 338397724 /nfs/dbraw/zinc/39/77/24/338397724.db2.gz ATZQJVXPVNEXOF-MOPGFXCFSA-N 2 2 304.453 3.723 20 0 DHADLP CC[C@@H](F)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000440793820 338397725 /nfs/dbraw/zinc/39/77/25/338397725.db2.gz ATZQJVXPVNEXOF-MOPGFXCFSA-N 2 2 304.453 3.723 20 0 DHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C)[nH+]c1C)CC(C)C ZINC000447191009 338547332 /nfs/dbraw/zinc/54/73/32/338547332.db2.gz FTFHSEHCCGOTLO-INIZCTEOSA-N 2 2 320.481 3.576 20 0 DHADLP CCc1ccc([C@H](C[NH2+]C2CCC(COC)CC2)[NH+](C)C)cc1 ZINC000449061298 338589323 /nfs/dbraw/zinc/58/93/23/338589323.db2.gz FVGVECDOAAJEHR-UUKMXZOPSA-N 2 2 318.505 3.647 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H]3CCCc4c(F)cccc43)c[nH+]c12 ZINC000449353278 338616963 /nfs/dbraw/zinc/61/69/63/338616963.db2.gz ZOXGQWJVRMBWCR-SFHVURJKSA-N 2 2 309.388 3.949 20 0 DHADLP CC[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449404977 338621486 /nfs/dbraw/zinc/62/14/86/338621486.db2.gz HITNBNOQIQZUFF-ZWKOTPCHSA-N 2 2 315.505 3.852 20 0 DHADLP C[NH+](C)C1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450251320 338673504 /nfs/dbraw/zinc/67/35/04/338673504.db2.gz TVDXDKKXKZYIHI-UHFFFAOYSA-N 2 2 323.362 3.784 20 0 DHADLP C[NH+](C)C[C@@H]1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000450436788 338684060 /nfs/dbraw/zinc/68/40/60/338684060.db2.gz RMWULWKJZHJXME-LBPRGKRZSA-N 2 2 323.362 3.642 20 0 DHADLP CSc1ccccc1[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000194843549 338765533 /nfs/dbraw/zinc/76/55/33/338765533.db2.gz MGGFQVKFTWKINO-AWEZNQCLSA-N 2 2 311.454 3.950 20 0 DHADLP CCCC[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1Cl ZINC000459328747 339022182 /nfs/dbraw/zinc/02/21/82/339022182.db2.gz QMIVXKTVBFNELU-UHFFFAOYSA-N 2 2 305.853 3.918 20 0 DHADLP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)no1 ZINC000459428459 339028726 /nfs/dbraw/zinc/02/87/26/339028726.db2.gz OGRMXCVSFDENFC-UHFFFAOYSA-N 2 2 313.445 3.505 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC(C4CCCC4)C3)sc2C1 ZINC000459603521 339038374 /nfs/dbraw/zinc/03/83/74/339038374.db2.gz AAHBLSLHTZMFPO-UHFFFAOYSA-N 2 2 319.518 3.532 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC(C4CCCC4)C3)sc2C1 ZINC000459603521 339038375 /nfs/dbraw/zinc/03/83/75/339038375.db2.gz AAHBLSLHTZMFPO-UHFFFAOYSA-N 2 2 319.518 3.532 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000459655325 339040805 /nfs/dbraw/zinc/04/08/05/339040805.db2.gz GBKNYBWIXHAZOI-DLBZAZTESA-N 2 2 303.837 3.542 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000459656664 339040820 /nfs/dbraw/zinc/04/08/20/339040820.db2.gz HDCSODZUDSWKMW-KRWDZBQOSA-N 2 2 315.848 3.842 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1C ZINC000459660283 339041226 /nfs/dbraw/zinc/04/12/26/339041226.db2.gz DZVPQKPZOSZOJL-FXAWDEMLSA-N 2 2 323.484 3.841 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1C ZINC000459660283 339041227 /nfs/dbraw/zinc/04/12/27/339041227.db2.gz DZVPQKPZOSZOJL-FXAWDEMLSA-N 2 2 323.484 3.841 20 0 DHADLP Cc1ccc(-c2cccc(C[NH2+]CCc3cn(C)c[nH+]3)c2)cc1 ZINC000459662745 339041342 /nfs/dbraw/zinc/04/13/42/339041342.db2.gz NUDSLIRHAYKTRD-UHFFFAOYSA-N 2 2 305.425 3.728 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000459662148 339041381 /nfs/dbraw/zinc/04/13/81/339041381.db2.gz NOTSSRAGJHGVSU-GOEBONIOSA-N 2 2 303.837 3.542 20 0 DHADLP Cc1ccc2[nH+]cc(CNc3ccc(C[NH+](C)C)c(C)c3)n2c1 ZINC000459747519 339045939 /nfs/dbraw/zinc/04/59/39/339045939.db2.gz GDSUMBWSPQSYEH-UHFFFAOYSA-N 2 2 308.429 3.625 20 0 DHADLP FC1(F)CC([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000463240163 339111238 /nfs/dbraw/zinc/11/12/38/339111238.db2.gz KFKJRGAUHZLTRD-UHFFFAOYSA-N 2 2 314.807 3.692 20 0 DHADLP CC(C)C[C@@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)[NH+](C)C ZINC000466449284 339205505 /nfs/dbraw/zinc/20/55/05/339205505.db2.gz QODSQOIXBHKHLX-NRXISQOPSA-N 2 2 308.432 3.921 20 0 DHADLP CC(C)C[C@H](C[NH2+]CC1CCC(C(F)(F)F)CC1)[NH+](C)C ZINC000466449285 339205553 /nfs/dbraw/zinc/20/55/53/339205553.db2.gz QODSQOIXBHKHLX-YMAMQOFZSA-N 2 2 308.432 3.921 20 0 DHADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C1 ZINC000466471872 339206482 /nfs/dbraw/zinc/20/64/82/339206482.db2.gz GHZUGEFMLURRFY-PKNZVCHQSA-N 2 2 310.844 3.655 20 0 DHADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C1 ZINC000466471872 339206483 /nfs/dbraw/zinc/20/64/83/339206483.db2.gz GHZUGEFMLURRFY-PKNZVCHQSA-N 2 2 310.844 3.655 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311368 339231274 /nfs/dbraw/zinc/23/12/74/339231274.db2.gz PRUHLJGETIEGMP-CJNGLKHVSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467311368 339231275 /nfs/dbraw/zinc/23/12/75/339231275.db2.gz PRUHLJGETIEGMP-CJNGLKHVSA-N 2 2 314.395 3.710 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC000467312706 339231342 /nfs/dbraw/zinc/23/13/42/339231342.db2.gz IAJJZPCYKRUYLA-QRVBRYPASA-N 2 2 315.505 3.880 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000467433836 339238295 /nfs/dbraw/zinc/23/82/95/339238295.db2.gz AMEWJAMWSYDGMU-KVMJYHBDSA-N 2 2 322.855 3.797 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000467433836 339238296 /nfs/dbraw/zinc/23/82/96/339238296.db2.gz AMEWJAMWSYDGMU-KVMJYHBDSA-N 2 2 322.855 3.797 20 0 DHADLP CC[C@@H](C[NH2+][C@@H](C)c1cncc(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000467750989 339245791 /nfs/dbraw/zinc/24/57/91/339245791.db2.gz DEOOMSQDHUXJCQ-UWJYYQICSA-N 2 2 323.484 3.878 20 0 DHADLP CC[C@@H](C[NH2+][C@@H](C)c1cncc(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000467750989 339245792 /nfs/dbraw/zinc/24/57/92/339245792.db2.gz DEOOMSQDHUXJCQ-UWJYYQICSA-N 2 2 323.484 3.878 20 0 DHADLP CC[C@@H](C[NH2+][C@H](C)c1cncc(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000467750988 339245794 /nfs/dbraw/zinc/24/57/94/339245794.db2.gz DEOOMSQDHUXJCQ-UTKZUKDTSA-N 2 2 323.484 3.878 20 0 DHADLP CC[C@@H](C[NH2+][C@H](C)c1cncc(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000467750988 339245795 /nfs/dbraw/zinc/24/57/95/339245795.db2.gz DEOOMSQDHUXJCQ-UTKZUKDTSA-N 2 2 323.484 3.878 20 0 DHADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000468602387 339266946 /nfs/dbraw/zinc/26/69/46/339266946.db2.gz YMNKOSBUXQZMOI-IUODEOHRSA-N 2 2 314.395 3.523 20 0 DHADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000468602387 339266947 /nfs/dbraw/zinc/26/69/47/339266947.db2.gz YMNKOSBUXQZMOI-IUODEOHRSA-N 2 2 314.395 3.523 20 0 DHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000469772084 339298632 /nfs/dbraw/zinc/29/86/32/339298632.db2.gz IYHWIFYJJXVQOF-IHPCNDPISA-N 2 2 318.505 3.548 20 0 DHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000469772084 339298633 /nfs/dbraw/zinc/29/86/33/339298633.db2.gz IYHWIFYJJXVQOF-IHPCNDPISA-N 2 2 318.505 3.548 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000469985308 339306762 /nfs/dbraw/zinc/30/67/62/339306762.db2.gz YZSRPASXVFTOLF-ZDUSSCGKSA-N 2 2 303.475 3.849 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000469985308 339306763 /nfs/dbraw/zinc/30/67/63/339306763.db2.gz YZSRPASXVFTOLF-ZDUSSCGKSA-N 2 2 303.475 3.849 20 0 DHADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000470019267 339308876 /nfs/dbraw/zinc/30/88/76/339308876.db2.gz RWRYDPDHOGUMNY-UHFFFAOYSA-N 2 2 306.881 3.921 20 0 DHADLP Cc1ccc2[nH]c(C[NH2+]CCc3cn4ccccc4[nH+]3)cc2c1C ZINC000472061312 339361723 /nfs/dbraw/zinc/36/17/23/339361723.db2.gz CMGNCHDVEKYDRB-UHFFFAOYSA-N 2 2 318.424 3.765 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1C(C)(C)C1(C)C ZINC000474474383 339416469 /nfs/dbraw/zinc/41/64/69/339416469.db2.gz RURDYUBMLFHPKJ-CQSZACIVSA-N 2 2 301.478 3.711 20 0 DHADLP COc1ccc(CC(C)(C)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000475083990 339438196 /nfs/dbraw/zinc/43/81/96/339438196.db2.gz CXMNRSUXSLYLDR-UHFFFAOYSA-N 2 2 312.457 3.942 20 0 DHADLP Cc1cc2[nH]c(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2c(C)c1 ZINC000481909244 339616402 /nfs/dbraw/zinc/61/64/02/339616402.db2.gz XULMZBRFWSOEMZ-UHFFFAOYSA-N 2 2 311.473 3.845 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+]C[C@@H]2CCSC2)c2cccs2)CC1 ZINC000486977725 339741111 /nfs/dbraw/zinc/74/11/11/339741111.db2.gz XMRFVXSMPGNDTC-JKSUJKDBSA-N 2 2 324.559 3.864 20 0 DHADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C/C=C\c1ccncc1)[NH+](C)C ZINC000487540685 339756235 /nfs/dbraw/zinc/75/62/35/339756235.db2.gz POQCZEFVAXTZRV-ZGVYMPFLSA-N 2 2 309.457 3.684 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000488458038 339783688 /nfs/dbraw/zinc/78/36/88/339783688.db2.gz JUGUORJOTFUTAR-CRAIPNDOSA-N 2 2 317.502 3.855 20 0 DHADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC000499525338 340038789 /nfs/dbraw/zinc/03/87/89/340038789.db2.gz ZQFNTCVCWOWALD-GGPKGHCWSA-N 2 2 322.537 3.921 20 0 DHADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000499525338 340038790 /nfs/dbraw/zinc/03/87/90/340038790.db2.gz ZQFNTCVCWOWALD-GGPKGHCWSA-N 2 2 322.537 3.921 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000499698499 340042883 /nfs/dbraw/zinc/04/28/83/340042883.db2.gz OZEMTYLLYGUMJT-CXTNEJHOSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)C[N@H+]1C1CC1 ZINC000499698499 340042884 /nfs/dbraw/zinc/04/28/84/340042884.db2.gz OZEMTYLLYGUMJT-CXTNEJHOSA-N 2 2 304.400 3.570 20 0 DHADLP Cc1ccccc1[C@@]1(F)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000502901578 340116181 /nfs/dbraw/zinc/11/61/81/340116181.db2.gz AZKVNNKHOQUCAY-LJQANCHMSA-N 2 2 304.453 3.742 20 0 DHADLP Cc1ccccc1[C@@]1(F)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000502901578 340116182 /nfs/dbraw/zinc/11/61/82/340116182.db2.gz AZKVNNKHOQUCAY-LJQANCHMSA-N 2 2 304.453 3.742 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000503073002 340120258 /nfs/dbraw/zinc/12/02/58/340120258.db2.gz FRCMUASFKHNQSL-GOSISDBHSA-N 2 2 310.441 3.789 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000503073002 340120259 /nfs/dbraw/zinc/12/02/59/340120259.db2.gz FRCMUASFKHNQSL-GOSISDBHSA-N 2 2 310.441 3.789 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000503073002 340120260 /nfs/dbraw/zinc/12/02/60/340120260.db2.gz FRCMUASFKHNQSL-GOSISDBHSA-N 2 2 310.441 3.789 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000503073002 340120261 /nfs/dbraw/zinc/12/02/61/340120261.db2.gz FRCMUASFKHNQSL-GOSISDBHSA-N 2 2 310.441 3.789 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000503073103 340120329 /nfs/dbraw/zinc/12/03/29/340120329.db2.gz MVWIIJMVSLGYPA-UXHICEINSA-N 2 2 312.432 3.989 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000503073103 340120330 /nfs/dbraw/zinc/12/03/30/340120330.db2.gz MVWIIJMVSLGYPA-UXHICEINSA-N 2 2 312.432 3.989 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000503072586 340120357 /nfs/dbraw/zinc/12/03/57/340120357.db2.gz BZTBACBYGXVSNR-CRAIPNDOSA-N 2 2 308.416 3.976 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000503072586 340120358 /nfs/dbraw/zinc/12/03/58/340120358.db2.gz BZTBACBYGXVSNR-CRAIPNDOSA-N 2 2 308.416 3.976 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000503072586 340120359 /nfs/dbraw/zinc/12/03/59/340120359.db2.gz BZTBACBYGXVSNR-CRAIPNDOSA-N 2 2 308.416 3.976 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000503072586 340120360 /nfs/dbraw/zinc/12/03/60/340120360.db2.gz BZTBACBYGXVSNR-CRAIPNDOSA-N 2 2 308.416 3.976 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC000503080264 340120428 /nfs/dbraw/zinc/12/04/28/340120428.db2.gz KABBLUCGZDZUGH-CRAIPNDOSA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC000503080264 340120429 /nfs/dbraw/zinc/12/04/29/340120429.db2.gz KABBLUCGZDZUGH-CRAIPNDOSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC000503080264 340120430 /nfs/dbraw/zinc/12/04/30/340120430.db2.gz KABBLUCGZDZUGH-CRAIPNDOSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)C[C@H]1C ZINC000503080264 340120431 /nfs/dbraw/zinc/12/04/31/340120431.db2.gz KABBLUCGZDZUGH-CRAIPNDOSA-N 2 2 313.445 3.646 20 0 DHADLP Cc1cc(Nc2[nH+]cnc3[nH]ccc32)c[nH+]c1N1CCCC[C@H]1C ZINC000503296344 340124904 /nfs/dbraw/zinc/12/49/04/340124904.db2.gz QQXJLTLCCTZLSB-CYBMUJFWSA-N 2 2 322.416 3.784 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000504927995 340156558 /nfs/dbraw/zinc/15/65/58/340156558.db2.gz XQLBCHCOAOGILS-VXIBKDFQSA-N 2 2 316.489 3.632 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000504927995 340156559 /nfs/dbraw/zinc/15/65/59/340156559.db2.gz XQLBCHCOAOGILS-VXIBKDFQSA-N 2 2 316.489 3.632 20 0 DHADLP CCCCOc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000506495807 340195710 /nfs/dbraw/zinc/19/57/10/340195710.db2.gz MNMAFYRLAGMYLA-UHFFFAOYSA-N 2 2 316.489 3.926 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000507472009 340221325 /nfs/dbraw/zinc/22/13/25/340221325.db2.gz PYKPXKGNPLWOMF-HNNXBMFYSA-N 2 2 301.478 3.702 20 0 DHADLP c1ccc2c(Nc3ccc(N4CCCCC4)[nH+]c3)cc[nH+]c2c1 ZINC000507608113 340226131 /nfs/dbraw/zinc/22/61/31/340226131.db2.gz UJVOSLUZMKOAQZ-UHFFFAOYSA-N 2 2 304.397 3.786 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1Cl ZINC000507815244 340232808 /nfs/dbraw/zinc/23/28/08/340232808.db2.gz VZWOPYUOSGULPE-KRWDZBQOSA-N 2 2 306.881 3.956 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1Cl ZINC000507815244 340232809 /nfs/dbraw/zinc/23/28/09/340232809.db2.gz VZWOPYUOSGULPE-KRWDZBQOSA-N 2 2 306.881 3.956 20 0 DHADLP CCc1ccc[nH+]c1N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722512 340251581 /nfs/dbraw/zinc/25/15/81/340251581.db2.gz XQKYRHQDCKCHFX-APWZRJJASA-N 2 2 309.457 3.967 20 0 DHADLP CCc1ccc[nH+]c1N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722512 340251582 /nfs/dbraw/zinc/25/15/82/340251582.db2.gz XQKYRHQDCKCHFX-APWZRJJASA-N 2 2 309.457 3.967 20 0 DHADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000508862875 340254743 /nfs/dbraw/zinc/25/47/43/340254743.db2.gz ZIRBAKAYCNZELD-MRXNPFEDSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(Cl)cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000508862875 340254744 /nfs/dbraw/zinc/25/47/44/340254744.db2.gz ZIRBAKAYCNZELD-MRXNPFEDSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000508862875 340254745 /nfs/dbraw/zinc/25/47/45/340254745.db2.gz ZIRBAKAYCNZELD-MRXNPFEDSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000508862875 340254746 /nfs/dbraw/zinc/25/47/46/340254746.db2.gz ZIRBAKAYCNZELD-MRXNPFEDSA-N 2 2 306.881 3.812 20 0 DHADLP CCOC1CC(C[NH2+][C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000509119187 340261672 /nfs/dbraw/zinc/26/16/72/340261672.db2.gz BDPXMXJOUHOJFW-SOAGJPPSSA-N 2 2 318.505 3.548 20 0 DHADLP CCOC1CC(C[NH2+][C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000509119187 340261673 /nfs/dbraw/zinc/26/16/73/340261673.db2.gz BDPXMXJOUHOJFW-SOAGJPPSSA-N 2 2 318.505 3.548 20 0 DHADLP CCOC1CC(C[NH2+][C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000509119186 340261775 /nfs/dbraw/zinc/26/17/75/340261775.db2.gz BDPXMXJOUHOJFW-MHJFOBGBSA-N 2 2 318.505 3.548 20 0 DHADLP CCOC1CC(C[NH2+][C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000509119186 340261776 /nfs/dbraw/zinc/26/17/76/340261776.db2.gz BDPXMXJOUHOJFW-MHJFOBGBSA-N 2 2 318.505 3.548 20 0 DHADLP C[C@H](F)CC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509133598 340261901 /nfs/dbraw/zinc/26/19/01/340261901.db2.gz AOPMFIYSLUBJKD-YJBOKZPZSA-N 2 2 306.469 3.797 20 0 DHADLP C[C@H](F)CC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509133598 340261902 /nfs/dbraw/zinc/26/19/02/340261902.db2.gz AOPMFIYSLUBJKD-YJBOKZPZSA-N 2 2 306.469 3.797 20 0 DHADLP C/C(=C/c1ccccc1)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000510558050 340302758 /nfs/dbraw/zinc/30/27/58/340302758.db2.gz IDWDXSZXVUNUAY-JXAWBTAJSA-N 2 2 307.441 3.616 20 0 DHADLP Cc1cccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510659005 340305515 /nfs/dbraw/zinc/30/55/15/340305515.db2.gz VZSDXDBMMBIGOD-FQEVSTJZSA-N 2 2 312.432 3.907 20 0 DHADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2CCCF)Cc2ccccc2C1 ZINC000510719367 340307978 /nfs/dbraw/zinc/30/79/78/340307978.db2.gz JNRXSKQZRWULPQ-QFBILLFUSA-N 2 2 318.480 3.594 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000510733161 340308683 /nfs/dbraw/zinc/30/86/83/340308683.db2.gz LAMGYWBCMBKCSR-QWHCGFSZSA-N 2 2 302.384 3.566 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccncc1F ZINC000511004789 340317989 /nfs/dbraw/zinc/31/79/89/340317989.db2.gz ZWLKACZDCRJUKY-ZRGWGRIASA-N 2 2 319.468 3.914 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000512170703 340350681 /nfs/dbraw/zinc/35/06/81/340350681.db2.gz UCZZLGPGBWNGOV-QGZVFWFLSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000512170703 340350682 /nfs/dbraw/zinc/35/06/82/340350682.db2.gz UCZZLGPGBWNGOV-QGZVFWFLSA-N 2 2 322.443 3.909 20 0 DHADLP COc1ccc([C@H](C[NH2+][C@@H](C)C2CCC2)[NH+]2CCCC2)cc1 ZINC000178247268 340448063 /nfs/dbraw/zinc/44/80/63/340448063.db2.gz ZUWJMSZGQXJHEO-KXBFYZLASA-N 2 2 302.462 3.610 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000178257264 340448153 /nfs/dbraw/zinc/44/81/53/340448153.db2.gz ZLIFLJMSWALLFV-ZDUSSCGKSA-N 2 2 322.880 3.874 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000237227437 340669186 /nfs/dbraw/zinc/66/91/86/340669186.db2.gz SXHMDQQQAHCSQJ-SJLPKXTDSA-N 2 2 306.494 3.582 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530222737 340783136 /nfs/dbraw/zinc/78/31/36/340783136.db2.gz RKIBYOFLQISHKP-LRDDRELGSA-N 2 2 308.853 3.674 20 0 DHADLP Cc1ccccc1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000539659981 340895026 /nfs/dbraw/zinc/89/50/26/340895026.db2.gz RMGBFRQPPTUKDW-AEFFLSMTSA-N 2 2 324.472 3.703 20 0 DHADLP CCc1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)cc1 ZINC000540482396 340933013 /nfs/dbraw/zinc/93/30/13/340933013.db2.gz PFHDMJQUNKXIKT-UHFFFAOYSA-N 2 2 309.413 3.885 20 0 DHADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@H]1CCCO1 ZINC000542477050 341009094 /nfs/dbraw/zinc/00/90/94/341009094.db2.gz BTPCWUYQDSHUSA-MISYRCLQSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)[C@H](C[NH2+][C@@H]1CCCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000543065909 341030289 /nfs/dbraw/zinc/03/02/89/341030289.db2.gz CWVPWJNNMFXMIO-MOPGFXCFSA-N 2 2 318.530 3.555 20 0 DHADLP CC(C)[C@H](C[NH2+][C@@H]1CCCSC1)[N@H+]1CCc2ccccc2C1 ZINC000543065909 341030290 /nfs/dbraw/zinc/03/02/90/341030290.db2.gz CWVPWJNNMFXMIO-MOPGFXCFSA-N 2 2 318.530 3.555 20 0 DHADLP CC(C)[C@H](C[NH2+][C@H]1CCCSC1)[N@@H+]1CCc2ccccc2C1 ZINC000543065917 341030317 /nfs/dbraw/zinc/03/03/17/341030317.db2.gz CWVPWJNNMFXMIO-OALUTQOASA-N 2 2 318.530 3.555 20 0 DHADLP CC(C)[C@H](C[NH2+][C@H]1CCCSC1)[N@H+]1CCc2ccccc2C1 ZINC000543065917 341030318 /nfs/dbraw/zinc/03/03/18/341030318.db2.gz CWVPWJNNMFXMIO-OALUTQOASA-N 2 2 318.530 3.555 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718602 341101633 /nfs/dbraw/zinc/10/16/33/341101633.db2.gz RLKLCVPRRXTJKX-LSDHHAIUSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718602 341101634 /nfs/dbraw/zinc/10/16/34/341101634.db2.gz RLKLCVPRRXTJKX-LSDHHAIUSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1F ZINC000132121004 341116682 /nfs/dbraw/zinc/11/66/82/341116682.db2.gz KQIMJFXTUPSSSD-INIZCTEOSA-N 2 2 323.415 3.964 20 0 DHADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000545865347 341143419 /nfs/dbraw/zinc/14/34/19/341143419.db2.gz RRAJYNGZACELNZ-AWEZNQCLSA-N 2 2 323.278 3.752 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000545865347 341143420 /nfs/dbraw/zinc/14/34/20/341143420.db2.gz RRAJYNGZACELNZ-AWEZNQCLSA-N 2 2 323.278 3.752 20 0 DHADLP Fc1ccc(/C=C\C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000564294185 341141008 /nfs/dbraw/zinc/14/10/08/341141008.db2.gz RIIACUSIUDSMGE-PLNGDYQASA-N 2 2 320.427 3.928 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)nc1 ZINC000133749948 341185191 /nfs/dbraw/zinc/18/51/91/341185191.db2.gz PMJSYVKSLXNWHR-NRFANRHFSA-N 2 2 323.484 3.563 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)nc1 ZINC000133749948 341185192 /nfs/dbraw/zinc/18/51/92/341185192.db2.gz PMJSYVKSLXNWHR-NRFANRHFSA-N 2 2 323.484 3.563 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000547356012 341208482 /nfs/dbraw/zinc/20/84/82/341208482.db2.gz BLEKFKODCWYJFQ-HNAYVOBHSA-N 2 2 312.457 3.667 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000547356012 341208483 /nfs/dbraw/zinc/20/84/83/341208483.db2.gz BLEKFKODCWYJFQ-HNAYVOBHSA-N 2 2 312.457 3.667 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)o1 ZINC000136078094 341252376 /nfs/dbraw/zinc/25/23/76/341252376.db2.gz PZGXKEHCBMDXQA-DYVFJYSZSA-N 2 2 316.420 3.894 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095475 341279538 /nfs/dbraw/zinc/27/95/38/341279538.db2.gz VBVJIOVPJZYTOK-CZUORRHYSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095475 341279539 /nfs/dbraw/zinc/27/95/39/341279539.db2.gz VBVJIOVPJZYTOK-CZUORRHYSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095475 341279540 /nfs/dbraw/zinc/27/95/40/341279540.db2.gz VBVJIOVPJZYTOK-CZUORRHYSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095475 341279541 /nfs/dbraw/zinc/27/95/41/341279541.db2.gz VBVJIOVPJZYTOK-CZUORRHYSA-N 2 2 310.869 3.511 20 0 DHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000549839925 341304754 /nfs/dbraw/zinc/30/47/54/341304754.db2.gz DDNCMXYRJRACQT-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000549839925 341304755 /nfs/dbraw/zinc/30/47/55/341304755.db2.gz DDNCMXYRJRACQT-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000549839925 341304756 /nfs/dbraw/zinc/30/47/56/341304756.db2.gz DDNCMXYRJRACQT-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)C1 ZINC000549839925 341304757 /nfs/dbraw/zinc/30/47/57/341304757.db2.gz DDNCMXYRJRACQT-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(F)c2Cl)C1 ZINC000549859846 341305233 /nfs/dbraw/zinc/30/52/33/341305233.db2.gz CNCDOPBNPXWKDI-AWEZNQCLSA-N 2 2 310.844 3.643 20 0 DHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(F)c2Cl)C1 ZINC000549859846 341305234 /nfs/dbraw/zinc/30/52/34/341305234.db2.gz CNCDOPBNPXWKDI-AWEZNQCLSA-N 2 2 310.844 3.643 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000549859846 341305235 /nfs/dbraw/zinc/30/52/35/341305235.db2.gz CNCDOPBNPXWKDI-AWEZNQCLSA-N 2 2 310.844 3.643 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000549859846 341305236 /nfs/dbraw/zinc/30/52/36/341305236.db2.gz CNCDOPBNPXWKDI-AWEZNQCLSA-N 2 2 310.844 3.643 20 0 DHADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000550275046 341314198 /nfs/dbraw/zinc/31/41/98/341314198.db2.gz OKTNYHNWNZSYTQ-KTMIJUKYSA-N 2 2 313.272 3.637 20 0 DHADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000550275046 341314199 /nfs/dbraw/zinc/31/41/99/341314199.db2.gz OKTNYHNWNZSYTQ-KTMIJUKYSA-N 2 2 313.272 3.637 20 0 DHADLP CC1CC[NH+]([C@@H](C[NH2+][C@H]2CCOC2(C)C)c2ccccc2)CC1 ZINC000550621417 341319880 /nfs/dbraw/zinc/31/98/80/341319880.db2.gz BAGWRJLDFUDNIC-OALUTQOASA-N 2 2 316.489 3.617 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000550999775 341328872 /nfs/dbraw/zinc/32/88/72/341328872.db2.gz MKYHBDJHEZZCGT-MRXNPFEDSA-N 2 2 301.821 3.650 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000551029481 341329563 /nfs/dbraw/zinc/32/95/63/341329563.db2.gz GJTZKMIFBWVTAP-PKOBYXMFSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000551029481 341329564 /nfs/dbraw/zinc/32/95/64/341329564.db2.gz GJTZKMIFBWVTAP-PKOBYXMFSA-N 2 2 316.395 3.890 20 0 DHADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000551558287 341345429 /nfs/dbraw/zinc/34/54/29/341345429.db2.gz BYOIQYNOTASOJC-BJLQDIEVSA-N 2 2 316.489 3.856 20 0 DHADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000551833218 341353288 /nfs/dbraw/zinc/35/32/88/341353288.db2.gz LMGZBKKKJGCMMD-OXJNMPFZSA-N 2 2 312.457 3.691 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cscn1 ZINC000552002208 341359016 /nfs/dbraw/zinc/35/90/16/341359016.db2.gz HXNOISPBKMTQMF-HNNXBMFYSA-N 2 2 315.486 3.980 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)C[N@@H+]1C1CC1 ZINC000247156753 341361625 /nfs/dbraw/zinc/36/16/25/341361625.db2.gz RUBKAELNQQQZED-MRRJBJDNSA-N 2 2 318.436 3.643 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)C[N@H+]1C1CC1 ZINC000247156753 341361626 /nfs/dbraw/zinc/36/16/26/341361626.db2.gz RUBKAELNQQQZED-MRRJBJDNSA-N 2 2 318.436 3.643 20 0 DHADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000552063559 341366466 /nfs/dbraw/zinc/36/64/66/341366466.db2.gz CWTOLDXGGNURFS-CYBMUJFWSA-N 2 2 319.399 3.609 20 0 DHADLP CC[C@H](C)[C@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000248179326 341374382 /nfs/dbraw/zinc/37/43/82/341374382.db2.gz WDNAHECWMMTSSA-OKZBNKHCSA-N 2 2 318.505 3.911 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248393952 341376269 /nfs/dbraw/zinc/37/62/69/341376269.db2.gz XOFFBLSMTNSTOD-JTDSTZFVSA-N 2 2 315.436 3.926 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248393952 341376270 /nfs/dbraw/zinc/37/62/70/341376270.db2.gz XOFFBLSMTNSTOD-JTDSTZFVSA-N 2 2 315.436 3.926 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3C[C@H](c4ccc(F)cc4)C3)n2c1 ZINC000552292503 341384744 /nfs/dbraw/zinc/38/47/44/341384744.db2.gz VFYXUIWPLIZDJY-JCNLHEQBSA-N 2 2 309.388 3.818 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+][C@H]2CCOC[C@H]2C)c2cccs2)CC1 ZINC000248835006 341388199 /nfs/dbraw/zinc/38/81/99/341388199.db2.gz GNJUHXKUZQRVNX-IXDOHACOSA-N 2 2 322.518 3.536 20 0 DHADLP C[N@H+](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000249265419 341395600 /nfs/dbraw/zinc/39/56/00/341395600.db2.gz IRKYBQURFHMDRO-CVEARBPZSA-N 2 2 314.395 3.829 20 0 DHADLP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000249265419 341395601 /nfs/dbraw/zinc/39/56/01/341395601.db2.gz IRKYBQURFHMDRO-CVEARBPZSA-N 2 2 314.395 3.829 20 0 DHADLP Cc1cc[nH+]c(N[C@H](C)C(C)(C)C[NH+](C)C)c1Br ZINC000553078713 341415034 /nfs/dbraw/zinc/41/50/34/341415034.db2.gz ZTVHUBGGSAPIFQ-LLVKDONJSA-N 2 2 314.271 3.541 20 0 DHADLP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CCO[C@@H](C)C2)[NH+](C)C)cc1 ZINC000554404325 341453631 /nfs/dbraw/zinc/45/36/31/341453631.db2.gz VXEFWLDHWSFAKT-VDGAXYAQSA-N 2 2 318.505 3.645 20 0 DHADLP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)[NH+](C)C)cc1 ZINC000554404323 341453653 /nfs/dbraw/zinc/45/36/53/341453653.db2.gz VXEFWLDHWSFAKT-DBVUQKKJSA-N 2 2 318.505 3.645 20 0 DHADLP Cc1ccc2[nH+]ccc(NCc3cn4cc(C)ccc4[nH+]3)c2c1 ZINC000569174966 341693012 /nfs/dbraw/zinc/69/30/12/341693012.db2.gz GAPFKOPGIGVUTJ-UHFFFAOYSA-N 2 2 302.381 3.533 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000294873384 341713168 /nfs/dbraw/zinc/71/31/68/341713168.db2.gz WUSGGNAMZOJGKC-RTBURBONSA-N 2 2 316.489 3.761 20 0 DHADLP CCc1ccc([C@@H](C[NH2+][C@@H]2CCCOCC2)[NH+](CC)CC)cc1 ZINC000577128998 341888630 /nfs/dbraw/zinc/88/86/30/341888630.db2.gz QVIMLJQXTMHUQD-WOJBJXKFSA-N 2 2 318.505 3.791 20 0 DHADLP CC[C@@]1(C[NH2+]CCCc2c[nH+]ccc2C)OCCc2ccccc21 ZINC000577498284 341913036 /nfs/dbraw/zinc/91/30/36/341913036.db2.gz RGBFFRSQCHXFOE-NRFANRHFSA-N 2 2 324.468 3.790 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)c2ccccc21 ZINC000423140146 518197594 /nfs/dbraw/zinc/19/75/94/518197594.db2.gz XMLXLGDZHNUSBO-HUUCEWRRSA-N 2 2 322.330 3.662 20 0 DHADLP Brc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266951768 518223516 /nfs/dbraw/zinc/22/35/16/518223516.db2.gz UNHRCVGNGNGPIG-CYBMUJFWSA-N 2 2 320.234 3.552 20 0 DHADLP Brc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266951768 518223519 /nfs/dbraw/zinc/22/35/19/518223519.db2.gz UNHRCVGNGNGPIG-CYBMUJFWSA-N 2 2 320.234 3.552 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)CCCn2cc[nH+]c2)c1C ZINC000124459625 518232417 /nfs/dbraw/zinc/23/24/17/518232417.db2.gz REBUWWMLVKPZDA-UHFFFAOYSA-N 2 2 313.445 3.533 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2)c1C ZINC000124459625 518232421 /nfs/dbraw/zinc/23/24/21/518232421.db2.gz REBUWWMLVKPZDA-UHFFFAOYSA-N 2 2 313.445 3.533 20 0 DHADLP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000369069649 519771700 /nfs/dbraw/zinc/77/17/00/519771700.db2.gz BJRNAHMRHVYJQD-NEWSRXKRSA-N 2 2 303.494 3.688 20 0 DHADLP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000369069649 519771701 /nfs/dbraw/zinc/77/17/01/519771701.db2.gz BJRNAHMRHVYJQD-NEWSRXKRSA-N 2 2 303.494 3.688 20 0 DHADLP CC(C)C[C@@H](C)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000369069649 519771702 /nfs/dbraw/zinc/77/17/02/519771702.db2.gz BJRNAHMRHVYJQD-NEWSRXKRSA-N 2 2 303.494 3.688 20 0 DHADLP CC(C)C[C@@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000369069649 519771704 /nfs/dbraw/zinc/77/17/04/519771704.db2.gz BJRNAHMRHVYJQD-NEWSRXKRSA-N 2 2 303.494 3.688 20 0 DHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367439848 519781572 /nfs/dbraw/zinc/78/15/72/519781572.db2.gz XQIHKDFBHDPEHV-OAHLLOKOSA-N 2 2 313.445 3.857 20 0 DHADLP CC(C)n1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000189901211 520002657 /nfs/dbraw/zinc/00/26/57/520002657.db2.gz FZUHBYWVKZWHHA-HNNXBMFYSA-N 2 2 309.417 3.501 20 0 DHADLP CCC(=O)CC[NH+]1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000190316947 521074217 /nfs/dbraw/zinc/07/42/17/521074217.db2.gz QFFBLZSVROAXNT-UHFFFAOYSA-N 2 2 313.445 3.605 20 0 DHADLP CC[N@@H+](Cc1cncc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189908609 521435549 /nfs/dbraw/zinc/43/55/49/521435549.db2.gz AXPFVGAUQQNDTH-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP CC[N@H+](Cc1cncc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189908609 521435565 /nfs/dbraw/zinc/43/55/65/521435565.db2.gz AXPFVGAUQQNDTH-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP CCc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000157998394 521841535 /nfs/dbraw/zinc/84/15/35/521841535.db2.gz HMKNGQXOZADJSE-LAUBAEHRSA-N 2 2 323.484 3.644 20 0 DHADLP CCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000157998394 521841544 /nfs/dbraw/zinc/84/15/44/521841544.db2.gz HMKNGQXOZADJSE-LAUBAEHRSA-N 2 2 323.484 3.644 20 0 DHADLP CCc1c[nH+]ccc1NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000265015782 522079900 /nfs/dbraw/zinc/07/99/00/522079900.db2.gz HNEVAUDZOFDWHG-GOSISDBHSA-N 2 2 311.429 3.666 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccco1 ZINC000156705210 522730161 /nfs/dbraw/zinc/73/01/61/522730161.db2.gz JEYHKMONEBDINH-BPQIPLTHSA-N 2 2 320.477 3.600 20 0 DHADLP CCn1c2ccccc2nc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000180160149 523295748 /nfs/dbraw/zinc/29/57/48/523295748.db2.gz JJTXPAJUWOTORE-HNNXBMFYSA-N 2 2 314.477 3.580 20 0 DHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000339438948 523859711 /nfs/dbraw/zinc/85/97/11/523859711.db2.gz XLFVDNBGODAPIL-INIZCTEOSA-N 2 2 312.379 3.623 20 0 DHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000339438948 523859715 /nfs/dbraw/zinc/85/97/15/523859715.db2.gz XLFVDNBGODAPIL-INIZCTEOSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000339438948 523859717 /nfs/dbraw/zinc/85/97/17/523859717.db2.gz XLFVDNBGODAPIL-INIZCTEOSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC000339438948 523859721 /nfs/dbraw/zinc/85/97/21/523859721.db2.gz XLFVDNBGODAPIL-INIZCTEOSA-N 2 2 312.379 3.623 20 0 DHADLP Cc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccco2)s1 ZINC000131294175 524417775 /nfs/dbraw/zinc/41/77/75/524417775.db2.gz XDRYCRLGTPFIKN-UHFFFAOYSA-N 2 2 301.415 3.548 20 0 DHADLP Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccco2)s1 ZINC000131294175 524417782 /nfs/dbraw/zinc/41/77/82/524417782.db2.gz XDRYCRLGTPFIKN-UHFFFAOYSA-N 2 2 301.415 3.548 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000337346884 524497752 /nfs/dbraw/zinc/49/77/52/524497752.db2.gz WWRKNBLLPMLUIQ-SOAMZJECSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000337346884 524497759 /nfs/dbraw/zinc/49/77/59/524497759.db2.gz WWRKNBLLPMLUIQ-SOAMZJECSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)CCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000265837833 524787882 /nfs/dbraw/zinc/78/78/82/524787882.db2.gz MPYJDZSSUJEUBN-HOCLYGCPSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)CCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000265837833 524787893 /nfs/dbraw/zinc/78/78/93/524787893.db2.gz MPYJDZSSUJEUBN-HOCLYGCPSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)CCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000265837833 524787903 /nfs/dbraw/zinc/78/79/03/524787903.db2.gz MPYJDZSSUJEUBN-HOCLYGCPSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)CCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000265837833 524787915 /nfs/dbraw/zinc/78/79/15/524787915.db2.gz MPYJDZSSUJEUBN-HOCLYGCPSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000338476584 525234708 /nfs/dbraw/zinc/23/47/08/525234708.db2.gz GBSBRIVXIMJYSL-ALXJQNPVSA-N 2 2 313.445 3.556 20 0 DHADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc2c(c1)OCO2 ZINC000156226903 525347233 /nfs/dbraw/zinc/34/72/33/525347233.db2.gz CMGYLXFHWDGNIG-ZDUSSCGKSA-N 2 2 323.396 3.575 20 0 DHADLP COc1ccc([C@H](C[NH2+][C@@H](C)C2(C)CC2)[NH+]2CCCC2)cc1 ZINC000156661662 525361828 /nfs/dbraw/zinc/36/18/28/525361828.db2.gz FAUCLRKATVPPME-YJBOKZPZSA-N 2 2 302.462 3.610 20 0 DHADLP Cc1cc(OCCC[C@H](C)[NH2+]CCn2cc[nH+]c2)ccc1Cl ZINC000338005172 525369456 /nfs/dbraw/zinc/36/94/56/525369456.db2.gz WNROYMZZVBYGKO-HNNXBMFYSA-N 2 2 321.852 3.682 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Br ZINC000129437236 525567768 /nfs/dbraw/zinc/56/77/68/525567768.db2.gz MBLOVHQFSMSVGI-FRRDWIJNSA-N 2 2 311.267 3.582 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1Br ZINC000129437236 525567759 /nfs/dbraw/zinc/56/77/59/525567759.db2.gz MBLOVHQFSMSVGI-FRRDWIJNSA-N 2 2 311.267 3.582 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337318197 525602753 /nfs/dbraw/zinc/60/27/53/525602753.db2.gz MGOVJZKDDTZIFL-JKSUJKDBSA-N 2 2 306.413 3.549 20 0 DHADLP C[C@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C1CC1 ZINC000179955503 525655872 /nfs/dbraw/zinc/65/58/72/525655872.db2.gz CXHCYJFGRBFPDI-HNNXBMFYSA-N 2 2 301.478 3.675 20 0 DHADLP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC000339156435 525754950 /nfs/dbraw/zinc/75/49/50/525754950.db2.gz TVAFXODMMOGAKY-UHFFFAOYSA-N 2 2 324.472 3.539 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc3c(c1)CCC3)CCC2 ZINC000366211327 525937731 /nfs/dbraw/zinc/93/77/31/525937731.db2.gz RVPTYSYFJOMFHB-HNAYVOBHSA-N 2 2 309.457 3.908 20 0 DHADLP Cc1ccc([C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C2CC2)cc1 ZINC000180009975 525969990 /nfs/dbraw/zinc/96/99/90/525969990.db2.gz JALXMEMBLICXJW-IBGZPJMESA-N 2 2 318.424 3.817 20 0 DHADLP C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000265084325 526135122 /nfs/dbraw/zinc/13/51/22/526135122.db2.gz SFSUPAIQMGFNBA-KURKYZTESA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1cccnc1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000265084325 526135130 /nfs/dbraw/zinc/13/51/30/526135130.db2.gz SFSUPAIQMGFNBA-KURKYZTESA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1cccnc1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000265084325 526135137 /nfs/dbraw/zinc/13/51/37/526135137.db2.gz SFSUPAIQMGFNBA-KURKYZTESA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1cccnc1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000265084325 526135143 /nfs/dbraw/zinc/13/51/43/526135143.db2.gz SFSUPAIQMGFNBA-KURKYZTESA-N 2 2 301.478 3.729 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337989848 526160500 /nfs/dbraw/zinc/16/05/00/526160500.db2.gz RDLOPOWFQLXFGI-CDHQVMDDSA-N 2 2 313.489 3.775 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267038782 526184483 /nfs/dbraw/zinc/18/44/83/526184483.db2.gz YJNZYZNWZICYFL-GFCCVEGCSA-N 2 2 302.422 3.636 20 0 DHADLP FC1(F)CCC[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000337262469 526276857 /nfs/dbraw/zinc/27/68/57/526276857.db2.gz QYDXODSQHBAVBZ-LBPRGKRZSA-N 2 2 311.401 3.849 20 0 DHADLP FCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000338000629 526284968 /nfs/dbraw/zinc/28/49/68/526284968.db2.gz ZIOOEGDMKSIYKM-DOTOQJQBSA-N 2 2 301.409 3.880 20 0 DHADLP Oc1cccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1Cl ZINC000339266059 526361271 /nfs/dbraw/zinc/36/12/71/526361271.db2.gz ULXNUERNDUICSK-UHFFFAOYSA-N 2 2 313.788 3.521 20 0 DHADLP c1cc(O[C@@H]2CC[N@@H+](CCSC3CCCCC3)C2)cc[nH+]1 ZINC000337258968 526436147 /nfs/dbraw/zinc/43/61/47/526436147.db2.gz VLXCQAIOWRBAKM-MRXNPFEDSA-N 2 2 306.475 3.601 20 0 DHADLP c1cc(O[C@@H]2CC[N@H+](CCSC3CCCCC3)C2)cc[nH+]1 ZINC000337258968 526436151 /nfs/dbraw/zinc/43/61/51/526436151.db2.gz VLXCQAIOWRBAKM-MRXNPFEDSA-N 2 2 306.475 3.601 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)c1 ZINC000337299753 526549071 /nfs/dbraw/zinc/54/90/71/526549071.db2.gz PGVBKQRLQPMNIF-YVWKXTFCSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)c1 ZINC000337299753 526549076 /nfs/dbraw/zinc/54/90/76/526549076.db2.gz PGVBKQRLQPMNIF-YVWKXTFCSA-N 2 2 313.489 3.714 20 0 DHADLP Cc1nc2c(s1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CCC2 ZINC000162901254 527107478 /nfs/dbraw/zinc/10/74/78/527107478.db2.gz SINOPGPALLTBOI-AWEZNQCLSA-N 2 2 316.474 3.706 20 0 DHADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCSC(C)C ZINC000338285868 527171155 /nfs/dbraw/zinc/17/11/55/527171155.db2.gz LUMGNORVBDIGCF-MRXNPFEDSA-N 2 2 317.502 3.951 20 0 DHADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCSC(C)C ZINC000338285868 527171159 /nfs/dbraw/zinc/17/11/59/527171159.db2.gz LUMGNORVBDIGCF-MRXNPFEDSA-N 2 2 317.502 3.951 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCC(C)(C)C)[C@@H](C)C2)s1 ZINC000364840112 527258071 /nfs/dbraw/zinc/25/80/71/527258071.db2.gz MNPOKJDXACIRPU-XJKSGUPXSA-N 2 2 309.523 3.688 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCC(C)(C)C)[C@@H](C)C2)s1 ZINC000364840112 527258078 /nfs/dbraw/zinc/25/80/78/527258078.db2.gz MNPOKJDXACIRPU-XJKSGUPXSA-N 2 2 309.523 3.688 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)CCC3CC3)[C@H](C)C2)s1 ZINC000364225707 527259706 /nfs/dbraw/zinc/25/97/06/527259706.db2.gz HQVGAKNUOXJUTQ-GLJUWKHASA-N 2 2 321.534 3.830 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)CCC3CC3)[C@H](C)C2)s1 ZINC000364225707 527259713 /nfs/dbraw/zinc/25/97/13/527259713.db2.gz HQVGAKNUOXJUTQ-GLJUWKHASA-N 2 2 321.534 3.830 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCC(C)(C)C3)[C@@H](C)C2)s1 ZINC000363838515 527260247 /nfs/dbraw/zinc/26/02/47/527260247.db2.gz RJFMVJZICMECDR-QRTARXTBSA-N 2 2 321.534 3.830 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCC(C)(C)C3)[C@@H](C)C2)s1 ZINC000363838515 527260250 /nfs/dbraw/zinc/26/02/50/527260250.db2.gz RJFMVJZICMECDR-QRTARXTBSA-N 2 2 321.534 3.830 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCC(C)(C)C3)[C@@H](C)C2)s1 ZINC000363838514 527261051 /nfs/dbraw/zinc/26/10/51/527261051.db2.gz RJFMVJZICMECDR-LXZKKBNFSA-N 2 2 321.534 3.830 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCC(C)(C)C3)[C@@H](C)C2)s1 ZINC000363838514 527261055 /nfs/dbraw/zinc/26/10/55/527261055.db2.gz RJFMVJZICMECDR-LXZKKBNFSA-N 2 2 321.534 3.830 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000338369452 527412158 /nfs/dbraw/zinc/41/21/58/527412158.db2.gz RXYYCXXUIUQDFX-KRWDZBQOSA-N 2 2 321.827 3.806 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000338369452 527412167 /nfs/dbraw/zinc/41/21/67/527412167.db2.gz RXYYCXXUIUQDFX-KRWDZBQOSA-N 2 2 321.827 3.806 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000365675202 527457242 /nfs/dbraw/zinc/45/72/42/527457242.db2.gz SJNVETPPSIJQNF-CQSZACIVSA-N 2 2 319.449 3.531 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000365675202 527457251 /nfs/dbraw/zinc/45/72/51/527457251.db2.gz SJNVETPPSIJQNF-CQSZACIVSA-N 2 2 319.449 3.531 20 0 DHADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CC=CCC2)C1 ZINC000190467643 563828296 /nfs/dbraw/zinc/82/82/96/563828296.db2.gz DSEKTZPDFWCQFA-DLBZAZTESA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CC=CCC2)C1 ZINC000190467643 563828299 /nfs/dbraw/zinc/82/82/99/563828299.db2.gz DSEKTZPDFWCQFA-DLBZAZTESA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000190467643 563828301 /nfs/dbraw/zinc/82/83/01/563828301.db2.gz DSEKTZPDFWCQFA-DLBZAZTESA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000190467643 563828306 /nfs/dbraw/zinc/82/83/06/563828306.db2.gz DSEKTZPDFWCQFA-DLBZAZTESA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000251483669 563910586 /nfs/dbraw/zinc/91/05/86/563910586.db2.gz DSEKTZPDFWCQFA-SJORKVTESA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC=CCC2)C1 ZINC000251483669 563910587 /nfs/dbraw/zinc/91/05/87/563910587.db2.gz DSEKTZPDFWCQFA-SJORKVTESA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000251483669 563910589 /nfs/dbraw/zinc/91/05/89/563910589.db2.gz DSEKTZPDFWCQFA-SJORKVTESA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000251483669 563910591 /nfs/dbraw/zinc/91/05/91/563910591.db2.gz DSEKTZPDFWCQFA-SJORKVTESA-N 2 2 319.518 3.562 20 0 DHADLP COc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000361699112 1032061107 /nfs/dbraw/zinc/06/11/07/1032061107.db2.gz OCMNNUAMAZIMSD-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP COc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000361699112 1032061122 /nfs/dbraw/zinc/06/11/22/1032061122.db2.gz OCMNNUAMAZIMSD-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP CCOC1CC(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000638600821 1013200195 /nfs/dbraw/zinc/20/01/95/1013200195.db2.gz FKAAUAHZLQLYBN-HJOIGYKYSA-N 2 2 304.478 3.521 20 0 DHADLP C[C@@H]1C[C@@H](C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC001209397940 1013217016 /nfs/dbraw/zinc/21/70/16/1013217016.db2.gz LZESLYPBLLOJLG-ALXJQNPVSA-N 2 2 313.445 3.508 20 0 DHADLP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC001209397940 1013217023 /nfs/dbraw/zinc/21/70/23/1013217023.db2.gz LZESLYPBLLOJLG-ALXJQNPVSA-N 2 2 313.445 3.508 20 0 DHADLP COc1cccc(C[N@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC001279131827 1013264234 /nfs/dbraw/zinc/26/42/34/1013264234.db2.gz BCOVNAFFZBDMRN-UHFFFAOYSA-N 2 2 314.473 3.536 20 0 DHADLP COc1cccc(C[N@@H+]2CCCC3(C[NH+](C4CCCC4)C3)C2)c1 ZINC001279131827 1013264230 /nfs/dbraw/zinc/26/42/30/1013264230.db2.gz BCOVNAFFZBDMRN-UHFFFAOYSA-N 2 2 314.473 3.536 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C[N@@H+]1C1CC1 ZINC000120713232 1013336004 /nfs/dbraw/zinc/33/60/04/1013336004.db2.gz VEECMHCVSYLMSQ-IUODEOHRSA-N 2 2 317.864 3.579 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C[N@H+]1C1CC1 ZINC000120713232 1013336012 /nfs/dbraw/zinc/33/60/12/1013336012.db2.gz VEECMHCVSYLMSQ-IUODEOHRSA-N 2 2 317.864 3.579 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c2ccccc21 ZINC000340357485 1013517231 /nfs/dbraw/zinc/51/72/31/1013517231.db2.gz YCLWIXWDWBSGDB-UONOGXRCSA-N 2 2 309.388 3.841 20 0 DHADLP CC[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(F)cn1 ZINC000317230642 1013566267 /nfs/dbraw/zinc/56/62/67/1013566267.db2.gz HGZHPFJORRKCMP-QGZVFWFLSA-N 2 2 307.457 3.916 20 0 DHADLP CC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(F)cn1 ZINC000317230642 1013566272 /nfs/dbraw/zinc/56/62/72/1013566272.db2.gz HGZHPFJORRKCMP-QGZVFWFLSA-N 2 2 307.457 3.916 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655687513 1013638522 /nfs/dbraw/zinc/63/85/22/1013638522.db2.gz YZUDRJKGQOZWLC-MSOLQXFVSA-N 2 2 322.880 3.634 20 0 DHADLP CC(C)C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655683890 1013642791 /nfs/dbraw/zinc/64/27/91/1013642791.db2.gz XBIOHGNOBCRPOI-VQTJNVASSA-N 2 2 316.489 3.617 20 0 DHADLP COc1ccc(C)[nH+]c1N(CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161674857 1013698623 /nfs/dbraw/zinc/69/86/23/1013698623.db2.gz AASAFJZATKHNDA-SHTZXODSSA-N 2 2 305.466 3.521 20 0 DHADLP CC[C@H]1C[C@H](C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000441357397 1013719271 /nfs/dbraw/zinc/71/92/71/1013719271.db2.gz SSHFXNFFDNENSB-MOPGFXCFSA-N 2 2 322.537 3.828 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000655839867 1013764949 /nfs/dbraw/zinc/76/49/49/1013764949.db2.gz XJGJYJDHOVFRMF-ZVZYQTTQSA-N 2 2 313.445 3.869 20 0 DHADLP C1CCC(OC2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)C1 ZINC000655851564 1013777077 /nfs/dbraw/zinc/77/70/77/1013777077.db2.gz XXHOGLYJZATMPV-DXBWTPJFSA-N 2 2 320.521 3.863 20 0 DHADLP C1CCC(OC2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)C1 ZINC000655851564 1013777081 /nfs/dbraw/zinc/77/70/81/1013777081.db2.gz XXHOGLYJZATMPV-DXBWTPJFSA-N 2 2 320.521 3.863 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1F ZINC000655849466 1013775713 /nfs/dbraw/zinc/77/57/13/1013775713.db2.gz VKUHWFQBBTVYRE-IAOVAPTHSA-N 2 2 306.425 3.502 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1F ZINC000655849466 1013775715 /nfs/dbraw/zinc/77/57/15/1013775715.db2.gz VKUHWFQBBTVYRE-IAOVAPTHSA-N 2 2 306.425 3.502 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848418 1013773827 /nfs/dbraw/zinc/77/38/27/1013773827.db2.gz IYRBMAUWMYDJPL-CGTJXYLNSA-N 2 2 302.462 3.671 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848418 1013773832 /nfs/dbraw/zinc/77/38/32/1013773832.db2.gz IYRBMAUWMYDJPL-CGTJXYLNSA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000655850511 1013777626 /nfs/dbraw/zinc/77/76/26/1013777626.db2.gz WEZYOEJGRGWOSG-XKQJLSEDSA-N 2 2 306.425 3.502 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000655850511 1013777633 /nfs/dbraw/zinc/77/76/33/1013777633.db2.gz WEZYOEJGRGWOSG-XKQJLSEDSA-N 2 2 306.425 3.502 20 0 DHADLP C1CCC(OC2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)C1 ZINC000655851565 1013777801 /nfs/dbraw/zinc/77/78/01/1013777801.db2.gz XXHOGLYJZATMPV-HFPIOELMSA-N 2 2 320.521 3.863 20 0 DHADLP C1CCC(OC2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)C1 ZINC000655851565 1013777806 /nfs/dbraw/zinc/77/78/06/1013777806.db2.gz XXHOGLYJZATMPV-HFPIOELMSA-N 2 2 320.521 3.863 20 0 DHADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000655858276 1013787718 /nfs/dbraw/zinc/78/77/18/1013787718.db2.gz XJSAGHWXPZIEPG-FLSJAXMZSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000655858276 1013787723 /nfs/dbraw/zinc/78/77/23/1013787723.db2.gz XJSAGHWXPZIEPG-FLSJAXMZSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000655858047 1013787795 /nfs/dbraw/zinc/78/77/95/1013787795.db2.gz WNAWEHNSWFLYSZ-MXNAJAOXSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000655858047 1013787805 /nfs/dbraw/zinc/78/78/05/1013787805.db2.gz WNAWEHNSWFLYSZ-MXNAJAOXSA-N 2 2 306.400 3.585 20 0 DHADLP COc1ccc(C(C)C)cc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000655937614 1013834814 /nfs/dbraw/zinc/83/48/14/1013834814.db2.gz CKPLKXQWJRQTRV-UHFFFAOYSA-N 2 2 316.489 3.783 20 0 DHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000045094478 1032086864 /nfs/dbraw/zinc/08/68/64/1032086864.db2.gz SUBVUKYYUMNCAB-ZDUSSCGKSA-N 2 2 322.250 3.777 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1)c1ccccc1 ZINC000320423652 1014346677 /nfs/dbraw/zinc/34/66/77/1014346677.db2.gz JZSHBGZRIRUYBV-VAMGGRTRSA-N 2 2 318.505 3.863 20 0 DHADLP C[C@@H](CCC(F)(F)F)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110423 1014434409 /nfs/dbraw/zinc/43/44/09/1014434409.db2.gz LIOFQBRPBDIISD-IHRRRGAJSA-N 2 2 315.383 3.889 20 0 DHADLP Cc1ccsc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111073 1014437968 /nfs/dbraw/zinc/43/79/68/1014437968.db2.gz KQAMRWCGUZMBHD-SHTZXODSSA-N 2 2 301.459 3.728 20 0 DHADLP CC(C)[C@@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CS1 ZINC000895112120 1014443238 /nfs/dbraw/zinc/44/32/38/1014443238.db2.gz LYSBHLYIAUESIV-QAETUUGQSA-N 2 2 319.518 3.688 20 0 DHADLP Cc1oncc1C[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168009129 1014483337 /nfs/dbraw/zinc/48/33/37/1014483337.db2.gz YRCQDSHFTFTEPV-HUUCEWRRSA-N 2 2 313.445 3.514 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)F)cc1 ZINC000427841734 1014536502 /nfs/dbraw/zinc/53/65/02/1014536502.db2.gz IULYMFOMIPAOMK-HIFRSBDPSA-N 2 2 321.371 3.540 20 0 DHADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427881325 1014541621 /nfs/dbraw/zinc/54/16/21/1014541621.db2.gz ICTKRSCWIHILRC-VXGBXAGGSA-N 2 2 324.255 3.726 20 0 DHADLP c1csc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCCC2)c1 ZINC000427877580 1014541873 /nfs/dbraw/zinc/54/18/73/1014541873.db2.gz PAOSAZHYYGWFOQ-RHSMWYFYSA-N 2 2 301.459 3.781 20 0 DHADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427887914 1014548113 /nfs/dbraw/zinc/54/81/13/1014548113.db2.gz VAGUJRSHCHJPKA-NVXWUHKLSA-N 2 2 313.445 3.584 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000427890397 1014550376 /nfs/dbraw/zinc/55/03/76/1014550376.db2.gz JCDQPMCYPGXDPD-QWRGUYRKSA-N 2 2 310.228 3.856 20 0 DHADLP CCc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000428233168 1014593894 /nfs/dbraw/zinc/59/38/94/1014593894.db2.gz QVLZHTIDRWPWFQ-RDJZCZTQSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000428233168 1014593904 /nfs/dbraw/zinc/59/39/04/1014593904.db2.gz QVLZHTIDRWPWFQ-RDJZCZTQSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1nc(C)c(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000428233168 1014593916 /nfs/dbraw/zinc/59/39/16/1014593916.db2.gz QVLZHTIDRWPWFQ-RDJZCZTQSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1nc(C)c(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000428233168 1014593920 /nfs/dbraw/zinc/59/39/20/1014593920.db2.gz QVLZHTIDRWPWFQ-RDJZCZTQSA-N 2 2 319.493 3.632 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000665268162 1014603470 /nfs/dbraw/zinc/60/34/70/1014603470.db2.gz JBYNSXUDPFHQFJ-VBKZILBWSA-N 2 2 318.424 3.793 20 0 DHADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000665282492 1014681981 /nfs/dbraw/zinc/68/19/81/1014681981.db2.gz ZENSFOCKAAUPAQ-XLIONFOSSA-N 2 2 323.440 3.880 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000442777637 1014729625 /nfs/dbraw/zinc/72/96/25/1014729625.db2.gz JLMFUPQKITTZTK-XNRPHZJLSA-N 2 2 314.395 3.881 20 0 DHADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000665293995 1014730352 /nfs/dbraw/zinc/73/03/52/1014730352.db2.gz GMAMXNBXRCLEIK-HUUCEWRRSA-N 2 2 316.420 3.663 20 0 DHADLP c1c2ccccc2oc1[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000581364006 1014737094 /nfs/dbraw/zinc/73/70/94/1014737094.db2.gz GOBGTHXYVQYYDK-MGPUTAFESA-N 2 2 321.424 3.506 20 0 DHADLP CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000428268903 1014824854 /nfs/dbraw/zinc/82/48/54/1014824854.db2.gz GWTIPFPMJRIZCP-SZMVWBNQSA-N 2 2 301.478 3.667 20 0 DHADLP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000428268903 1014824859 /nfs/dbraw/zinc/82/48/59/1014824859.db2.gz GWTIPFPMJRIZCP-SZMVWBNQSA-N 2 2 301.478 3.667 20 0 DHADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000581554668 1014991427 /nfs/dbraw/zinc/99/14/27/1014991427.db2.gz TUUVKUIBVJUDEL-DZGCQCFKSA-N 2 2 315.848 3.951 20 0 DHADLP C[C@@H]1CC([NH2+][C@@H]2CCCCC2=O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168023838 1015054583 /nfs/dbraw/zinc/05/45/83/1015054583.db2.gz YIMCJPBPCHMVML-GPMSIDNRSA-N 2 2 314.473 3.529 20 0 DHADLP FC1(F)CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000647169949 1015107071 /nfs/dbraw/zinc/10/70/71/1015107071.db2.gz HXBIRWUCRZIQNT-UHFFFAOYSA-N 2 2 305.372 3.599 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000684376950 1015206234 /nfs/dbraw/zinc/20/62/34/1015206234.db2.gz NDMQYXDFPZSAKY-SUNYJGFJSA-N 2 2 306.881 3.906 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000684376950 1015206238 /nfs/dbraw/zinc/20/62/38/1015206238.db2.gz NDMQYXDFPZSAKY-SUNYJGFJSA-N 2 2 306.881 3.906 20 0 DHADLP CC1([NH+]2CCC2)CC[NH+](Cc2cc3c(cccc3O)s2)CC1 ZINC000895670268 1015254893 /nfs/dbraw/zinc/25/48/93/1015254893.db2.gz DMDFUDCWXMMJSJ-UHFFFAOYSA-N 2 2 316.470 3.667 20 0 DHADLP C[C@@H](CC[NH2+]Cc1cccnc1Cl)[N@H+](C)Cc1ccccc1 ZINC000080206515 1015332634 /nfs/dbraw/zinc/33/26/34/1015332634.db2.gz HFLPJQGVGPWHEP-HNNXBMFYSA-N 2 2 317.864 3.735 20 0 DHADLP C[C@@H](CC[NH2+]Cc1cccnc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000080206515 1015332642 /nfs/dbraw/zinc/33/26/42/1015332642.db2.gz HFLPJQGVGPWHEP-HNNXBMFYSA-N 2 2 317.864 3.735 20 0 DHADLP CCCSC[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000896036015 1015419119 /nfs/dbraw/zinc/41/91/19/1015419119.db2.gz ZGBDAWIUBKRQRA-RDJZCZTQSA-N 2 2 303.475 3.746 20 0 DHADLP CC[N@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C1CC1 ZINC000474613955 1015486953 /nfs/dbraw/zinc/48/69/53/1015486953.db2.gz MRZBMUQZOAKCBU-KWCYVHTRSA-N 2 2 312.910 3.967 20 0 DHADLP CC[N@@H+](CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C1CC1 ZINC000474613955 1015486960 /nfs/dbraw/zinc/48/69/60/1015486960.db2.gz MRZBMUQZOAKCBU-KWCYVHTRSA-N 2 2 312.910 3.967 20 0 DHADLP CC(C)COc1ccccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000130834546 1015552087 /nfs/dbraw/zinc/55/20/87/1015552087.db2.gz BZKBMUZVONIDSW-UHFFFAOYSA-N 2 2 304.478 3.684 20 0 DHADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000532194997 1015590762 /nfs/dbraw/zinc/59/07/62/1015590762.db2.gz YIRMROBQNRKIAI-GOSISDBHSA-N 2 2 303.425 3.659 20 0 DHADLP CSCc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000891843195 1015675281 /nfs/dbraw/zinc/67/52/81/1015675281.db2.gz WFWNDKJIABJPIX-UHFFFAOYSA-N 2 2 301.459 3.583 20 0 DHADLP C[C@H]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475355438 1017165818 /nfs/dbraw/zinc/16/58/18/1017165818.db2.gz VAEZRTGAATYROX-UJHNXHIOSA-N 2 2 304.400 3.570 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCn1cc[nH+]c1 ZINC000280905699 1015807821 /nfs/dbraw/zinc/80/78/21/1015807821.db2.gz FFNQHPJUWHARBD-SFHVURJKSA-N 2 2 308.429 3.730 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H](C)CC(C)(C)C3)sc2C1 ZINC000346336070 1015832341 /nfs/dbraw/zinc/83/23/41/1015832341.db2.gz PMYIJXJKWFKJJF-AWEZNQCLSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H](C)CC(C)(C)C3)sc2C1 ZINC000346336070 1015832345 /nfs/dbraw/zinc/83/23/45/1015832345.db2.gz PMYIJXJKWFKJJF-AWEZNQCLSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H](C)CC(C)(C)C3)sc2C1 ZINC000346336070 1015832350 /nfs/dbraw/zinc/83/23/50/1015832350.db2.gz PMYIJXJKWFKJJF-AWEZNQCLSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H](C)CC(C)(C)C3)sc2C1 ZINC000346336070 1015832354 /nfs/dbraw/zinc/83/23/54/1015832354.db2.gz PMYIJXJKWFKJJF-AWEZNQCLSA-N 2 2 321.534 3.778 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000535808771 1015836144 /nfs/dbraw/zinc/83/61/44/1015836144.db2.gz VQXQPIBVQHJISA-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000535808771 1015836153 /nfs/dbraw/zinc/83/61/53/1015836153.db2.gz VQXQPIBVQHJISA-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000535808771 1015836160 /nfs/dbraw/zinc/83/61/60/1015836160.db2.gz VQXQPIBVQHJISA-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000535808771 1015836168 /nfs/dbraw/zinc/83/61/68/1015836168.db2.gz VQXQPIBVQHJISA-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP CC[C@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000387450660 1016449435 /nfs/dbraw/zinc/44/94/35/1016449435.db2.gz QNZNFAFKOFOZON-OALUTQOASA-N 2 2 316.489 3.588 20 0 DHADLP CC[C@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CCO1 ZINC000387450660 1016449449 /nfs/dbraw/zinc/44/94/49/1016449449.db2.gz QNZNFAFKOFOZON-OALUTQOASA-N 2 2 316.489 3.588 20 0 DHADLP CO[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C1CCCC1 ZINC000660246238 1016466293 /nfs/dbraw/zinc/46/62/93/1016466293.db2.gz ZBSRFKJVASLGII-IBGZPJMESA-N 2 2 319.493 3.581 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000346641309 1016492817 /nfs/dbraw/zinc/49/28/17/1016492817.db2.gz LREKRGQLXCTXET-VHSXEESVSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000346641309 1016492827 /nfs/dbraw/zinc/49/28/27/1016492827.db2.gz LREKRGQLXCTXET-VHSXEESVSA-N 2 2 306.759 3.528 20 0 DHADLP CCC[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000342484157 1016574303 /nfs/dbraw/zinc/57/43/03/1016574303.db2.gz TVMQGNKWPFMLFZ-UHFFFAOYSA-N 2 2 309.816 3.978 20 0 DHADLP CCC[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000342484157 1016574316 /nfs/dbraw/zinc/57/43/16/1016574316.db2.gz TVMQGNKWPFMLFZ-UHFFFAOYSA-N 2 2 309.816 3.978 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccccc3)no2)CC1 ZINC000109788403 1016585643 /nfs/dbraw/zinc/58/56/43/1016585643.db2.gz TVPIUQUIHGMPIO-UHFFFAOYSA-N 2 2 313.445 3.648 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccccc3)no2)CC1 ZINC000109788403 1016585651 /nfs/dbraw/zinc/58/56/51/1016585651.db2.gz TVPIUQUIHGMPIO-UHFFFAOYSA-N 2 2 313.445 3.648 20 0 DHADLP CO[C@@H]1CC[N@H+](Cc2cccc(-c3ccccc3C)c2)[C@H](C[NH3+])C1 ZINC000346826733 1016590390 /nfs/dbraw/zinc/59/03/90/1016590390.db2.gz MLYSJQABSAKYMB-VQTJNVASSA-N 2 2 324.468 3.600 20 0 DHADLP CO[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3C)c2)[C@H](C[NH3+])C1 ZINC000346826733 1016590394 /nfs/dbraw/zinc/59/03/94/1016590394.db2.gz MLYSJQABSAKYMB-VQTJNVASSA-N 2 2 324.468 3.600 20 0 DHADLP CO[C@H]1CC[N@H+](Cc2cccc(-c3ccc(C)cc3)c2)[C@H](C[NH3+])C1 ZINC000346844006 1016601114 /nfs/dbraw/zinc/60/11/14/1016601114.db2.gz KMRPBQGPVFWEQM-SFTDATJTSA-N 2 2 324.468 3.600 20 0 DHADLP CO[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(C)cc3)c2)[C@H](C[NH3+])C1 ZINC000346844006 1016601136 /nfs/dbraw/zinc/60/11/36/1016601136.db2.gz KMRPBQGPVFWEQM-SFTDATJTSA-N 2 2 324.468 3.600 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000346937926 1016645114 /nfs/dbraw/zinc/64/51/14/1016645114.db2.gz GZMIHGHIPVLWEF-QAPCUYQASA-N 2 2 303.409 3.863 20 0 DHADLP CCC[N@H+](Cc1csc(-c2ccsc2)n1)C1CC[NH2+]CC1 ZINC000037539075 1016648869 /nfs/dbraw/zinc/64/88/69/1016648869.db2.gz WYEONUZIEWNKDD-UHFFFAOYSA-N 2 2 321.515 3.836 20 0 DHADLP CCC[N@@H+](Cc1csc(-c2ccsc2)n1)C1CC[NH2+]CC1 ZINC000037539075 1016648876 /nfs/dbraw/zinc/64/88/76/1016648876.db2.gz WYEONUZIEWNKDD-UHFFFAOYSA-N 2 2 321.515 3.836 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000174219233 1016813222 /nfs/dbraw/zinc/81/32/22/1016813222.db2.gz SKLIDWXRHPDWIG-QGZVFWFLSA-N 2 2 304.478 3.638 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2OC(C)C)C1 ZINC000174219233 1016813239 /nfs/dbraw/zinc/81/32/39/1016813239.db2.gz SKLIDWXRHPDWIG-QGZVFWFLSA-N 2 2 304.478 3.638 20 0 DHADLP Cc1ccc(SCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000342602001 1016840465 /nfs/dbraw/zinc/84/04/65/1016840465.db2.gz LDSQWVWRVQLNNE-UHFFFAOYSA-N 2 2 315.486 3.998 20 0 DHADLP CC(C)COc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000342630562 1016888499 /nfs/dbraw/zinc/88/84/99/1016888499.db2.gz CBLRGRHCMLRQEP-UHFFFAOYSA-N 2 2 313.445 3.755 20 0 DHADLP Fc1ccc(C2CC2)cc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657478055 1016970249 /nfs/dbraw/zinc/97/02/49/1016970249.db2.gz WYWUQFFJFPTQLZ-UHFFFAOYSA-N 2 2 322.387 3.574 20 0 DHADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1cc2ccncc2s1 ZINC000657477696 1016971170 /nfs/dbraw/zinc/97/11/70/1016971170.db2.gz RJNJYACHQJAUOH-INIZCTEOSA-N 2 2 317.502 3.896 20 0 DHADLP Clc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000192685308 1016981291 /nfs/dbraw/zinc/98/12/91/1016981291.db2.gz YLLXYLDZBWEZIR-GOSISDBHSA-N 2 2 311.816 3.916 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC1(C)C ZINC000623374677 1017007309 /nfs/dbraw/zinc/00/73/09/1017007309.db2.gz KXUAJXYRSUZBHW-IUODEOHRSA-N 2 2 308.853 3.626 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000361942716 1032164876 /nfs/dbraw/zinc/16/48/76/1032164876.db2.gz HWUWOBZOYYRKEO-GFCCVEGCSA-N 2 2 310.228 3.716 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000361942716 1032164884 /nfs/dbraw/zinc/16/48/84/1032164884.db2.gz HWUWOBZOYYRKEO-GFCCVEGCSA-N 2 2 310.228 3.716 20 0 DHADLP Cn1c2ccccc2[nH+]c1NCc1ccccc1C[NH+]1CCCC1 ZINC000179280157 1017230271 /nfs/dbraw/zinc/23/02/71/1017230271.db2.gz WDOZFERQWZEKKS-UHFFFAOYSA-N 2 2 320.440 3.781 20 0 DHADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001204783066 1017072475 /nfs/dbraw/zinc/07/24/75/1017072475.db2.gz NXFBPHCWXXWASI-MRXNPFEDSA-N 2 2 319.246 3.525 20 0 DHADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc3cc(Br)ccc3c2)C1 ZINC001204783066 1017072488 /nfs/dbraw/zinc/07/24/88/1017072488.db2.gz NXFBPHCWXXWASI-MRXNPFEDSA-N 2 2 319.246 3.525 20 0 DHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001146987490 1032264936 /nfs/dbraw/zinc/26/49/36/1032264936.db2.gz UYYSVWLRUHFMFN-OLZOCXBDSA-N 2 2 314.433 3.833 20 0 DHADLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000119326201 1032281390 /nfs/dbraw/zinc/28/13/90/1032281390.db2.gz NHXJHIPZQDXYMM-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000119326201 1032281401 /nfs/dbraw/zinc/28/14/01/1032281401.db2.gz NHXJHIPZQDXYMM-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000475215649 1017087187 /nfs/dbraw/zinc/08/71/87/1017087187.db2.gz LZRBTVUCHTXFKU-DZGCQCFKSA-N 2 2 302.453 3.910 20 0 DHADLP C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000475215649 1017087197 /nfs/dbraw/zinc/08/71/97/1017087197.db2.gz LZRBTVUCHTXFKU-DZGCQCFKSA-N 2 2 302.453 3.910 20 0 DHADLP Cc1cc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)cc[nH+]1 ZINC000302577984 1017307952 /nfs/dbraw/zinc/30/79/52/1017307952.db2.gz RNNUPALNROEWKA-CQSZACIVSA-N 2 2 317.383 3.551 20 0 DHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171354540 1032513556 /nfs/dbraw/zinc/51/35/56/1032513556.db2.gz LTWDSNRCIVWYRV-HOTGVXAUSA-N 2 2 322.443 3.532 20 0 DHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171354540 1032513568 /nfs/dbraw/zinc/51/35/68/1032513568.db2.gz LTWDSNRCIVWYRV-HOTGVXAUSA-N 2 2 322.443 3.532 20 0 DHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171354537 1032513587 /nfs/dbraw/zinc/51/35/87/1032513587.db2.gz LTWDSNRCIVWYRV-CVEARBPZSA-N 2 2 322.443 3.532 20 0 DHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171354537 1032513595 /nfs/dbraw/zinc/51/35/95/1032513595.db2.gz LTWDSNRCIVWYRV-CVEARBPZSA-N 2 2 322.443 3.532 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000034996187 1012079738 /nfs/dbraw/zinc/07/97/38/1012079738.db2.gz QCHYSUIXTJTKTH-GFCCVEGCSA-N 2 2 311.267 3.584 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000281171752 1012318712 /nfs/dbraw/zinc/31/87/12/1012318712.db2.gz QTOZJZLIKSQLCZ-UONOGXRCSA-N 2 2 305.372 3.958 20 0 DHADLP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Cl)c1Cl ZINC001206771021 1012350724 /nfs/dbraw/zinc/35/07/24/1012350724.db2.gz VSCGRJXXWPXOEA-NWDGAFQWSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Cl)c1Cl ZINC001206771021 1012350742 /nfs/dbraw/zinc/35/07/42/1012350742.db2.gz VSCGRJXXWPXOEA-NWDGAFQWSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000579869510 1012787775 /nfs/dbraw/zinc/78/77/75/1012787775.db2.gz BUUWDCGBHTVQNP-UHFFFAOYSA-N 2 2 316.430 3.564 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Oc2ccccc2)cn1 ZINC000516921660 1012864731 /nfs/dbraw/zinc/86/47/31/1012864731.db2.gz DFVQOOMBNLJPIW-POZUXBRTSA-N 2 2 311.429 3.794 20 0 DHADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cnn(C2CCCC2)c1 ZINC000516964536 1012878887 /nfs/dbraw/zinc/87/88/87/1012878887.db2.gz PFVPRENAZUCLNU-KBXCAEBGSA-N 2 2 304.482 3.556 20 0 DHADLP Clc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000342759907 1017180376 /nfs/dbraw/zinc/18/03/76/1017180376.db2.gz YMKHGIVCMIBTQB-XJKSGUPXSA-N 2 2 301.821 3.930 20 0 DHADLP Clc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000342759907 1017180381 /nfs/dbraw/zinc/18/03/81/1017180381.db2.gz YMKHGIVCMIBTQB-XJKSGUPXSA-N 2 2 301.821 3.930 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)CC1(C)C ZINC000623777982 1017456201 /nfs/dbraw/zinc/45/62/01/1017456201.db2.gz ZUUVVVFVYMHPQS-LLVKDONJSA-N 2 2 306.397 3.729 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)CC1(C)C ZINC000623777982 1017456204 /nfs/dbraw/zinc/45/62/04/1017456204.db2.gz ZUUVVVFVYMHPQS-LLVKDONJSA-N 2 2 306.397 3.729 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623861075 1017537692 /nfs/dbraw/zinc/53/76/92/1017537692.db2.gz NXOFUCOBZBTQJM-GHMZBOCLSA-N 2 2 315.314 3.780 20 0 DHADLP Cc1cc([NH+]2CCCC2)ccc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623929267 1017584531 /nfs/dbraw/zinc/58/45/31/1017584531.db2.gz VQJRHEXYHVXPOK-MRXNPFEDSA-N 2 2 301.478 3.880 20 0 DHADLP Cc1cc([NH+]2CCCC2)ccc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623929267 1017584541 /nfs/dbraw/zinc/58/45/41/1017584541.db2.gz VQJRHEXYHVXPOK-MRXNPFEDSA-N 2 2 301.478 3.880 20 0 DHADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000623974392 1017618805 /nfs/dbraw/zinc/61/88/05/1017618805.db2.gz DFLFNHFWDCXKDD-NVXWUHKLSA-N 2 2 315.486 3.624 20 0 DHADLP Cc1csc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000623974392 1017618811 /nfs/dbraw/zinc/61/88/11/1017618811.db2.gz DFLFNHFWDCXKDD-NVXWUHKLSA-N 2 2 315.486 3.624 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(C)ccc1C ZINC000624014779 1017637302 /nfs/dbraw/zinc/63/73/02/1017637302.db2.gz HGCRXQRKSVLACV-ICSRJNTNSA-N 2 2 316.489 3.597 20 0 DHADLP CC(C)c1cccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000624014836 1017638691 /nfs/dbraw/zinc/63/86/91/1017638691.db2.gz IOTXXJMQZMQNEK-OXQOHEQNSA-N 2 2 316.489 3.714 20 0 DHADLP CCC[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000624048026 1017656590 /nfs/dbraw/zinc/65/65/90/1017656590.db2.gz AGNDGVIBSQDVBF-MAUKXSAKSA-N 2 2 301.434 3.728 20 0 DHADLP c1cn(CCC[NH+](Cc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC000182669970 1017942228 /nfs/dbraw/zinc/94/22/28/1017942228.db2.gz CXSPVXTYWDFANE-UHFFFAOYSA-N 2 2 305.425 3.976 20 0 DHADLP FC1(F)CC12CCC([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000657716711 1017948750 /nfs/dbraw/zinc/94/87/50/1017948750.db2.gz SLDIFHIZUSUAAO-UHFFFAOYSA-N 2 2 317.383 3.930 20 0 DHADLP FC(F)(F)c1ccccc1C[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000183163381 1017999848 /nfs/dbraw/zinc/99/98/48/1017999848.db2.gz BNYCGNTUWDOJTO-UHFFFAOYSA-N 2 2 323.362 3.957 20 0 DHADLP FC(F)(F)c1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000183163381 1017999859 /nfs/dbraw/zinc/99/98/59/1017999859.db2.gz BNYCGNTUWDOJTO-UHFFFAOYSA-N 2 2 323.362 3.957 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658093280 1018067564 /nfs/dbraw/zinc/06/75/64/1018067564.db2.gz UEMUIEADAOWOMN-VYDXJSESSA-N 2 2 304.478 3.650 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658093280 1018067580 /nfs/dbraw/zinc/06/75/80/1018067580.db2.gz UEMUIEADAOWOMN-VYDXJSESSA-N 2 2 304.478 3.650 20 0 DHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1F ZINC000153901962 1018075629 /nfs/dbraw/zinc/07/56/29/1018075629.db2.gz QUSAPBCVVFRKET-UHFFFAOYSA-N 2 2 308.416 3.504 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1(C)C ZINC000623476482 1032748730 /nfs/dbraw/zinc/74/87/30/1032748730.db2.gz BHDZGMKFUHIRHD-CQSZACIVSA-N 2 2 308.416 3.806 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1(C)C ZINC000623476482 1032748751 /nfs/dbraw/zinc/74/87/51/1032748751.db2.gz BHDZGMKFUHIRHD-CQSZACIVSA-N 2 2 308.416 3.806 20 0 DHADLP C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155140890 1018250778 /nfs/dbraw/zinc/25/07/78/1018250778.db2.gz KSDTVNICLXXQMA-ZIAGYGMSSA-N 2 2 310.376 3.818 20 0 DHADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C)CC1 ZINC000446834258 1018264352 /nfs/dbraw/zinc/26/43/52/1018264352.db2.gz JXJOIZUJMCUGLQ-HNNXBMFYSA-N 2 2 300.368 3.672 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]Cc2coc3ccccc23)c[nH+]1 ZINC000343160548 1018300105 /nfs/dbraw/zinc/30/01/05/1018300105.db2.gz XNHUGZFKZRADSU-UHFFFAOYSA-N 2 2 317.392 3.967 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+]CCn3cc[nH+]c3)cs2)cs1 ZINC000155689212 1018327572 /nfs/dbraw/zinc/32/75/72/1018327572.db2.gz KVGNFKJCRVUKAA-NSHDSACASA-N 2 2 318.471 3.727 20 0 DHADLP CCO[C@H](CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000155732176 1018335072 /nfs/dbraw/zinc/33/50/72/1018335072.db2.gz CZJXFBDPCAPQNI-QFBILLFUSA-N 2 2 315.461 3.974 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(-n2cccn2)cc1 ZINC000447599945 1018434577 /nfs/dbraw/zinc/43/45/77/1018434577.db2.gz KYWJINCNVOFPDO-OXQOHEQNSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1ccc(-n2cccn2)cc1 ZINC000447599945 1018434582 /nfs/dbraw/zinc/43/45/82/1018434582.db2.gz KYWJINCNVOFPDO-OXQOHEQNSA-N 2 2 324.472 3.540 20 0 DHADLP CO[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000658317797 1018459250 /nfs/dbraw/zinc/45/92/50/1018459250.db2.gz XAHZWGZERHPIRF-KXBFYZLASA-N 2 2 313.445 3.728 20 0 DHADLP Cc1noc(C)c1[C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000925203411 1018504131 /nfs/dbraw/zinc/50/41/31/1018504131.db2.gz KQBXDDRXJKWGSF-LSDHHAIUSA-N 2 2 315.461 3.853 20 0 DHADLP Cc1noc(C)c1[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000925203411 1018504148 /nfs/dbraw/zinc/50/41/48/1018504148.db2.gz KQBXDDRXJKWGSF-LSDHHAIUSA-N 2 2 315.461 3.853 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499254 1018510894 /nfs/dbraw/zinc/51/08/94/1018510894.db2.gz CXQGWOHVDAMRGB-SFHVURJKSA-N 2 2 317.383 3.633 20 0 DHADLP C[NH2+]Cc1ccccc1C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000650719375 1018565255 /nfs/dbraw/zinc/56/52/55/1018565255.db2.gz NXUOKIAUEYJBMN-GOSISDBHSA-N 2 2 318.411 3.762 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000675739065 1018567278 /nfs/dbraw/zinc/56/72/78/1018567278.db2.gz BJSXOZZYSOMTAB-XLIONFOSSA-N 2 2 309.457 3.990 20 0 DHADLP CC(C)C[C@H]([NH3+])C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000650724276 1018580264 /nfs/dbraw/zinc/58/02/64/1018580264.db2.gz BLQOQEJJLUTJKD-AWEZNQCLSA-N 2 2 300.368 3.658 20 0 DHADLP CC[C@@H](Cc1cccs1)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000675833412 1018605251 /nfs/dbraw/zinc/60/52/51/1018605251.db2.gz QBKUWSNUGUDDJG-HNNXBMFYSA-N 2 2 324.534 3.548 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923694 1018626199 /nfs/dbraw/zinc/62/61/99/1018626199.db2.gz TUIWQGOUZSTYPW-APWZRJJASA-N 2 2 323.440 3.908 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000675923696 1018626286 /nfs/dbraw/zinc/62/62/86/1018626286.db2.gz TUIWQGOUZSTYPW-QFBILLFUSA-N 2 2 323.440 3.908 20 0 DHADLP COc1ccc([C@@H](CC(C)C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000647304484 1018638687 /nfs/dbraw/zinc/63/86/87/1018638687.db2.gz PWYBWZBYMOYDRC-CRAIPNDOSA-N 2 2 313.445 3.653 20 0 DHADLP C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000650751081 1018664446 /nfs/dbraw/zinc/66/44/46/1018664446.db2.gz PZJZDRCFBNRIDF-CRAIPNDOSA-N 2 2 318.424 3.560 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000765251307 1018729855 /nfs/dbraw/zinc/72/98/55/1018729855.db2.gz OMCRPZVMAQLBNU-IRXDYDNUSA-N 2 2 301.409 3.714 20 0 DHADLP C[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000921800602 1018868255 /nfs/dbraw/zinc/86/82/55/1018868255.db2.gz YHDFDIYTOVDHEQ-OAHLLOKOSA-N 2 2 321.428 3.645 20 0 DHADLP C[C@@H](C[NH2+]Cc1cccc(-c2ccccc2)c1)Cn1cc[nH+]c1 ZINC000062254334 1018950621 /nfs/dbraw/zinc/95/06/21/1018950621.db2.gz SGDDRRFIADDMMI-KRWDZBQOSA-N 2 2 305.425 3.976 20 0 DHADLP [NH3+]CC[C@H]1CN(c2ccc(F)c(-n3cc[nH+]c3)c2)c2ccccc21 ZINC001168548642 1018998876 /nfs/dbraw/zinc/99/88/76/1018998876.db2.gz NWNNOMFNVZLMKF-AWEZNQCLSA-N 2 2 322.387 3.596 20 0 DHADLP CC[C@@H](C[NH2+][C@H]1CCCc2cc(OC)ccc21)[NH+]1CCCC1 ZINC000347919030 1019165810 /nfs/dbraw/zinc/16/58/10/1019165810.db2.gz JYAZZDCSJUHDRM-LPHOPBHVSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@@H](C[NH2+][C@@H]1CCCc2cc(OC)ccc21)[NH+]1CCCC1 ZINC000347919031 1019167343 /nfs/dbraw/zinc/16/73/43/1019167343.db2.gz JYAZZDCSJUHDRM-QFBILLFUSA-N 2 2 302.462 3.537 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168697713 1019186657 /nfs/dbraw/zinc/18/66/57/1019186657.db2.gz IZLIAKAXEOMAMP-GDBMZVCRSA-N 2 2 306.881 3.517 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]Cc2cc3ccccc3o2)c[nH+]1 ZINC000030651997 1019202782 /nfs/dbraw/zinc/20/27/82/1019202782.db2.gz FZVZXOQRYWVKHR-UHFFFAOYSA-N 2 2 317.392 3.967 20 0 DHADLP CC(C)c1cc(N(C)CC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000090090457 1019395703 /nfs/dbraw/zinc/39/57/03/1019395703.db2.gz DKJZPAWTUHTGRQ-UHFFFAOYSA-N 2 2 304.482 3.501 20 0 DHADLP Clc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091480077 1019471028 /nfs/dbraw/zinc/47/10/28/1019471028.db2.gz NWFNTNCMYRXHOF-LBPRGKRZSA-N 2 2 312.804 3.995 20 0 DHADLP CCc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000093016533 1019561027 /nfs/dbraw/zinc/56/10/27/1019561027.db2.gz FFFZRHDXNGOROM-INIZCTEOSA-N 2 2 321.534 3.794 20 0 DHADLP CCc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000093016533 1019561040 /nfs/dbraw/zinc/56/10/40/1019561040.db2.gz FFFZRHDXNGOROM-INIZCTEOSA-N 2 2 321.534 3.794 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000685429679 1019816989 /nfs/dbraw/zinc/81/69/89/1019816989.db2.gz GXIWSMLKUCACBY-LJQANCHMSA-N 2 2 308.425 3.921 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470388 1019852189 /nfs/dbraw/zinc/85/21/89/1019852189.db2.gz KFRJIGXFKNMKID-CMPLNLGQSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470388 1019852200 /nfs/dbraw/zinc/85/22/00/1019852200.db2.gz KFRJIGXFKNMKID-CMPLNLGQSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470388 1019852212 /nfs/dbraw/zinc/85/22/12/1019852212.db2.gz KFRJIGXFKNMKID-CMPLNLGQSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470388 1019852226 /nfs/dbraw/zinc/85/22/26/1019852226.db2.gz KFRJIGXFKNMKID-CMPLNLGQSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ncc[nH]1 ZINC000286370978 1019880898 /nfs/dbraw/zinc/88/08/98/1019880898.db2.gz ZPHKJEBXRULQAG-INIZCTEOSA-N 2 2 312.461 3.637 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000115609805 1019916467 /nfs/dbraw/zinc/91/64/67/1019916467.db2.gz DGQRKZVVWAGEQU-UHFFFAOYSA-N 2 2 313.376 3.771 20 0 DHADLP CS[C@@H]1CCC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000922335279 1020012378 /nfs/dbraw/zinc/01/23/78/1020012378.db2.gz JZQXNBCDIMHEDB-KURKYZTESA-N 2 2 315.486 3.888 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1C1CCCCC1)C2 ZINC000685662311 1020023372 /nfs/dbraw/zinc/02/33/72/1020023372.db2.gz MWCJMSBZEDNSOK-ZACQAIPSSA-N 2 2 301.478 3.996 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCC[C@H]1C1CCCCC1)C2 ZINC000685662309 1020024577 /nfs/dbraw/zinc/02/45/77/1020024577.db2.gz MWCJMSBZEDNSOK-IKGGRYGDSA-N 2 2 301.478 3.996 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCSCC1)C1CC1 ZINC000657981939 1020063572 /nfs/dbraw/zinc/06/35/72/1020063572.db2.gz WTNXSZCHYHKKOU-RTBURBONSA-N 2 2 318.530 3.772 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCSCC1)C1CC1 ZINC000657981939 1020063579 /nfs/dbraw/zinc/06/35/79/1020063579.db2.gz WTNXSZCHYHKKOU-RTBURBONSA-N 2 2 318.530 3.772 20 0 DHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCSCC2)CCC1 ZINC000658029352 1020091851 /nfs/dbraw/zinc/09/18/51/1020091851.db2.gz ZODSGPJCFNAGQR-SFHVURJKSA-N 2 2 318.530 3.916 20 0 DHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCCSCC2)CCC1 ZINC000658029352 1020091870 /nfs/dbraw/zinc/09/18/70/1020091870.db2.gz ZODSGPJCFNAGQR-SFHVURJKSA-N 2 2 318.530 3.916 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)F)nc1 ZINC000658049912 1020115826 /nfs/dbraw/zinc/11/58/26/1020115826.db2.gz ZMFLBBRBLXQBMU-JGGQBBKZSA-N 2 2 309.404 3.687 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C(F)F)nc1 ZINC000658049912 1020115834 /nfs/dbraw/zinc/11/58/34/1020115834.db2.gz ZMFLBBRBLXQBMU-JGGQBBKZSA-N 2 2 309.404 3.687 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)F)nc1 ZINC000658049910 1020116785 /nfs/dbraw/zinc/11/67/85/1020116785.db2.gz ZMFLBBRBLXQBMU-DUVNUKRYSA-N 2 2 309.404 3.687 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C(F)F)nc1 ZINC000658049910 1020116788 /nfs/dbraw/zinc/11/67/88/1020116788.db2.gz ZMFLBBRBLXQBMU-DUVNUKRYSA-N 2 2 309.404 3.687 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)CCC2 ZINC000658092844 1020136779 /nfs/dbraw/zinc/13/67/79/1020136779.db2.gz RSWLXWMZQRZUSQ-MAUKXSAKSA-N 2 2 302.462 3.535 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)CCC2 ZINC000658092844 1020136785 /nfs/dbraw/zinc/13/67/85/1020136785.db2.gz RSWLXWMZQRZUSQ-MAUKXSAKSA-N 2 2 302.462 3.535 20 0 DHADLP CC[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658091735 1020137542 /nfs/dbraw/zinc/13/75/42/1020137542.db2.gz VGOIOURBMIUOPN-CRAIPNDOSA-N 2 2 313.445 3.728 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]C/C=C/c1ccc(F)cc1)c1cccnc1 ZINC000922627765 1020175506 /nfs/dbraw/zinc/17/55/06/1020175506.db2.gz MTVIKHIRHQRWBI-JUGMSXHOSA-N 2 2 313.420 3.517 20 0 DHADLP CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000300644928 1020222936 /nfs/dbraw/zinc/22/29/36/1020222936.db2.gz GFDUNPSMIFNOCP-IRXDYDNUSA-N 2 2 301.459 3.636 20 0 DHADLP C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658225961 1020234468 /nfs/dbraw/zinc/23/44/68/1020234468.db2.gz XDERWWKWNHJVOU-CJNGLKHVSA-N 2 2 305.372 3.958 20 0 DHADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000658287968 1020284018 /nfs/dbraw/zinc/28/40/18/1020284018.db2.gz PRYOQPUDOIJLOR-UZLBHIALSA-N 2 2 309.457 3.884 20 0 DHADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000658287968 1020284025 /nfs/dbraw/zinc/28/40/25/1020284025.db2.gz PRYOQPUDOIJLOR-UZLBHIALSA-N 2 2 309.457 3.884 20 0 DHADLP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccoc1 ZINC000658294093 1020286089 /nfs/dbraw/zinc/28/60/89/1020286089.db2.gz FZRQDOPLTXMELV-MOPGFXCFSA-N 2 2 320.477 3.600 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2sccc21 ZINC000658294664 1020286863 /nfs/dbraw/zinc/28/68/63/1020286863.db2.gz JGQKUJRMMMRWER-UNEWFSDZSA-N 2 2 320.502 3.529 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCC(F)CC1 ZINC000658294040 1020287255 /nfs/dbraw/zinc/28/72/55/1020287255.db2.gz QTHBOOFIZNEOIH-QQFBHYJXSA-N 2 2 305.441 3.557 20 0 DHADLP Nc1[nH+]cccc1Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001212400328 1020321059 /nfs/dbraw/zinc/32/10/59/1020321059.db2.gz YNUGJEDLMZUFGN-UHFFFAOYSA-N 2 2 316.408 3.923 20 0 DHADLP Nc1[nH+]cccc1Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001212400328 1020321065 /nfs/dbraw/zinc/32/10/65/1020321065.db2.gz YNUGJEDLMZUFGN-UHFFFAOYSA-N 2 2 316.408 3.923 20 0 DHADLP C[NH+]1CCC([NH2+][C@@H]2C[C@@H](c3ccccc3)Oc3ccccc32)CC1 ZINC000922887367 1020372179 /nfs/dbraw/zinc/37/21/79/1020372179.db2.gz MMPUDTYDSALSSU-CTNGQTDRSA-N 2 2 322.452 3.935 20 0 DHADLP Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000733325642 1020372964 /nfs/dbraw/zinc/37/29/64/1020372964.db2.gz OOFSGKQSTUVGBX-UHFFFAOYSA-N 2 2 313.788 3.521 20 0 DHADLP Cc1ccc([C@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)s1 ZINC000347780026 1020403042 /nfs/dbraw/zinc/40/30/42/1020403042.db2.gz KUAOPPIVRMGUBD-CQSZACIVSA-N 2 2 321.515 3.912 20 0 DHADLP Cc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)s1 ZINC000347780026 1020403049 /nfs/dbraw/zinc/40/30/49/1020403049.db2.gz KUAOPPIVRMGUBD-CQSZACIVSA-N 2 2 321.515 3.912 20 0 DHADLP C[C@H]([NH2+]Cc1cc(O)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000625320249 1020474503 /nfs/dbraw/zinc/47/45/03/1020474503.db2.gz XHWGKSXGBZUYGS-UONOGXRCSA-N 2 2 322.880 3.788 20 0 DHADLP C[C@H]([NH2+]Cc1cc(O)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000625320249 1020474508 /nfs/dbraw/zinc/47/45/08/1020474508.db2.gz XHWGKSXGBZUYGS-UONOGXRCSA-N 2 2 322.880 3.788 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC000474716822 1020526828 /nfs/dbraw/zinc/52/68/28/1020526828.db2.gz ZQXRDXWUYTXVJJ-FEPKRQSRSA-N 2 2 306.416 3.816 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)[N@@H+](C)C1CC1 ZINC000474716822 1020526832 /nfs/dbraw/zinc/52/68/32/1020526832.db2.gz ZQXRDXWUYTXVJJ-FEPKRQSRSA-N 2 2 306.416 3.816 20 0 DHADLP CC[N@H+](CCCCn1cc[nH+]c1C)Cc1c(F)cccc1F ZINC000125493084 1020658325 /nfs/dbraw/zinc/65/83/25/1020658325.db2.gz YCDLNTCWUDYPSA-UHFFFAOYSA-N 2 2 307.388 3.772 20 0 DHADLP CC[N@@H+](CCCCn1cc[nH+]c1C)Cc1c(F)cccc1F ZINC000125493084 1020658335 /nfs/dbraw/zinc/65/83/35/1020658335.db2.gz YCDLNTCWUDYPSA-UHFFFAOYSA-N 2 2 307.388 3.772 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171957860 1032924155 /nfs/dbraw/zinc/92/41/55/1032924155.db2.gz FWNBPGFNDJJJIT-ZDUSSCGKSA-N 2 2 302.384 3.568 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414061578 1020833720 /nfs/dbraw/zinc/83/37/20/1020833720.db2.gz KMMKCYSXLYCJTN-FRFSOERESA-N 2 2 303.837 3.851 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414075156 1020849652 /nfs/dbraw/zinc/84/96/52/1020849652.db2.gz XKRSQINLCQFFJH-KBPBESRZSA-N 2 2 312.442 3.746 20 0 DHADLP c1ccc(NCCCC[NH2+]Cc2cnc3ccccc3c2)[nH+]c1 ZINC000738429718 1020874294 /nfs/dbraw/zinc/87/42/94/1020874294.db2.gz DGBRRQLAPYVNRP-UHFFFAOYSA-N 2 2 306.413 3.612 20 0 DHADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cs1 ZINC000414189792 1020979254 /nfs/dbraw/zinc/97/92/54/1020979254.db2.gz RKDBVUAFQFGGSR-GFCCVEGCSA-N 2 2 300.431 3.765 20 0 DHADLP CC(C)(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171968742 1032953631 /nfs/dbraw/zinc/95/36/31/1032953631.db2.gz RBYXSWYRZNJPLE-KRWDZBQOSA-N 2 2 316.489 3.634 20 0 DHADLP CC(C)(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171968742 1032953636 /nfs/dbraw/zinc/95/36/36/1032953636.db2.gz RBYXSWYRZNJPLE-KRWDZBQOSA-N 2 2 316.489 3.634 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Br ZINC000250907760 1021195316 /nfs/dbraw/zinc/19/53/16/1021195316.db2.gz STAAGUMGELCJTA-IHRRRGAJSA-N 2 2 323.278 3.727 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Br ZINC000250907760 1021195321 /nfs/dbraw/zinc/19/53/21/1021195321.db2.gz STAAGUMGELCJTA-IHRRRGAJSA-N 2 2 323.278 3.727 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001140882080 1021424506 /nfs/dbraw/zinc/42/45/06/1021424506.db2.gz PBXCXGTWRKOHCC-UHFFFAOYSA-N 2 2 324.337 3.757 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001140882080 1021424510 /nfs/dbraw/zinc/42/45/10/1021424510.db2.gz PBXCXGTWRKOHCC-UHFFFAOYSA-N 2 2 324.337 3.757 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(SC(F)F)cc1 ZINC000154633574 1021437600 /nfs/dbraw/zinc/43/76/00/1021437600.db2.gz UVEXXIJSKXLTNB-YPMHNXCESA-N 2 2 300.418 3.746 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(SC(F)F)cc1 ZINC000154633574 1021437608 /nfs/dbraw/zinc/43/76/08/1021437608.db2.gz UVEXXIJSKXLTNB-YPMHNXCESA-N 2 2 300.418 3.746 20 0 DHADLP CC[C@H](C)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850355377 1021483373 /nfs/dbraw/zinc/48/33/73/1021483373.db2.gz HQCUBLMYQPICFG-INIZCTEOSA-N 2 2 303.494 3.747 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C(F)F)nc1 ZINC000850424875 1021524329 /nfs/dbraw/zinc/52/43/29/1021524329.db2.gz IBMBFVYMEWJXQD-DOMZBBRYSA-N 2 2 322.403 3.981 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc2cnccc2o1 ZINC000850425743 1021524868 /nfs/dbraw/zinc/52/48/68/1021524868.db2.gz PHVYHVSHJJWDEU-DYVFJYSZSA-N 2 2 312.417 3.790 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850530123 1021582102 /nfs/dbraw/zinc/58/21/02/1021582102.db2.gz VVVDVABYCJRJAH-VHKYSDTDSA-N 2 2 319.408 3.701 20 0 DHADLP COCCCC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000892748861 1021594116 /nfs/dbraw/zinc/59/41/16/1021594116.db2.gz HJRMKWQSRUKITO-UHFFFAOYSA-N 2 2 313.445 3.559 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc32)CC[N@@H+]1Cc1ccccc1 ZINC000379658265 1021706359 /nfs/dbraw/zinc/70/63/59/1021706359.db2.gz VVMOGJWZOFKKFY-LSTHTHJFSA-N 2 2 321.468 3.712 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000379658265 1021706369 /nfs/dbraw/zinc/70/63/69/1021706369.db2.gz VVMOGJWZOFKKFY-LSTHTHJFSA-N 2 2 321.468 3.712 20 0 DHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1cccs1 ZINC000379664779 1021729868 /nfs/dbraw/zinc/72/98/68/1021729868.db2.gz QIIUQNZZJKHFJL-UHFFFAOYSA-N 2 2 302.487 3.791 20 0 DHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1cccs1 ZINC000379664779 1021729885 /nfs/dbraw/zinc/72/98/85/1021729885.db2.gz QIIUQNZZJKHFJL-UHFFFAOYSA-N 2 2 302.487 3.791 20 0 DHADLP CCCC[NH+](CCCC)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105035 1033002677 /nfs/dbraw/zinc/00/26/77/1033002677.db2.gz HUTYAVASYOMOGU-ACDBMABISA-N 3 2 323.569 3.884 20 0 DHADLP CCCC[NH+](CCCC)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105035 1033002693 /nfs/dbraw/zinc/00/26/93/1033002693.db2.gz HUTYAVASYOMOGU-ACDBMABISA-N 3 2 323.569 3.884 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000556591736 1021788410 /nfs/dbraw/zinc/78/84/10/1021788410.db2.gz MILAPQVQKYKSRY-XNFNUYLZSA-N 2 2 316.489 3.509 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000556591736 1021788415 /nfs/dbraw/zinc/78/84/15/1021788415.db2.gz MILAPQVQKYKSRY-XNFNUYLZSA-N 2 2 316.489 3.509 20 0 DHADLP COc1c(Cl)cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236213651 1021819903 /nfs/dbraw/zinc/81/99/03/1021819903.db2.gz AUUVAXQHUSVXFT-UONOGXRCSA-N 2 2 317.260 3.704 20 0 DHADLP COc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1Cl ZINC001236213651 1021819924 /nfs/dbraw/zinc/81/99/24/1021819924.db2.gz AUUVAXQHUSVXFT-UONOGXRCSA-N 2 2 317.260 3.704 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000763439858 1021831118 /nfs/dbraw/zinc/83/11/18/1021831118.db2.gz GMYKSGJYXPQDEA-OAHLLOKOSA-N 2 2 319.408 3.753 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)CC1 ZINC000236796146 1021884790 /nfs/dbraw/zinc/88/47/90/1021884790.db2.gz CZYHHIOXSHXDJJ-SFHVURJKSA-N 2 2 314.477 3.724 20 0 DHADLP COc1ccc2cc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)ccc2c1 ZINC000271213297 1022037450 /nfs/dbraw/zinc/03/74/50/1022037450.db2.gz WLCFIYRQMASTCR-UHFFFAOYSA-N 2 2 321.424 3.951 20 0 DHADLP CN(c1ccccc1)c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000620434672 1022152322 /nfs/dbraw/zinc/15/23/22/1022152322.db2.gz ROFMQUQYYSAYLH-UHFFFAOYSA-N 2 2 320.440 3.831 20 0 DHADLP CC(C)c1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001168848782 1022160629 /nfs/dbraw/zinc/16/06/29/1022160629.db2.gz QGUANAJQLCSXMR-GOSISDBHSA-N 2 2 311.473 3.998 20 0 DHADLP CC(C)c1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001168848782 1022160630 /nfs/dbraw/zinc/16/06/30/1022160630.db2.gz QGUANAJQLCSXMR-GOSISDBHSA-N 2 2 311.473 3.998 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)C2 ZINC001169091882 1022258671 /nfs/dbraw/zinc/25/86/71/1022258671.db2.gz WWZQPZLPXQZBIQ-BTTYYORXSA-N 2 2 316.342 3.559 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)C2 ZINC001169091882 1022258686 /nfs/dbraw/zinc/25/86/86/1022258686.db2.gz WWZQPZLPXQZBIQ-BTTYYORXSA-N 2 2 316.342 3.559 20 0 DHADLP CC[NH+]1CCC([NH+]2CCC(c3ccc(F)cc3F)CC2)CC1 ZINC001169267902 1022343157 /nfs/dbraw/zinc/34/31/57/1022343157.db2.gz BPQCPQKDSIKYPS-UHFFFAOYSA-N 2 2 308.416 3.629 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@@](C)(c3ccccc3)C1)C2 ZINC000363862748 1022350653 /nfs/dbraw/zinc/35/06/53/1022350653.db2.gz ICNPOBXVBGWPMH-WSTZPKSXSA-N 2 2 309.457 3.606 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC000268695304 1022371470 /nfs/dbraw/zinc/37/14/70/1022371470.db2.gz BEMIEVVCZODJMT-JENIJYKNSA-N 2 2 309.457 3.785 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccn1 ZINC000268695304 1022371486 /nfs/dbraw/zinc/37/14/86/1022371486.db2.gz BEMIEVVCZODJMT-JENIJYKNSA-N 2 2 309.457 3.785 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(OC(F)F)c1 ZINC000268799240 1022378162 /nfs/dbraw/zinc/37/81/62/1022378162.db2.gz XXQJXSQFXVNFQS-VBNZEHGJSA-N 2 2 310.388 3.565 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(OC(F)F)c1 ZINC000268799240 1022378182 /nfs/dbraw/zinc/37/81/82/1022378182.db2.gz XXQJXSQFXVNFQS-VBNZEHGJSA-N 2 2 310.388 3.565 20 0 DHADLP Cc1[nH+]cc(CNc2cccc(C[NH+](C)C)c2)n1-c1ccccc1 ZINC000269362983 1022405807 /nfs/dbraw/zinc/40/58/07/1022405807.db2.gz NDBZZAQNQQMNLX-UHFFFAOYSA-N 2 2 320.440 3.854 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000157451336 1022549787 /nfs/dbraw/zinc/54/97/87/1022549787.db2.gz OBQCDMHSEIKDHY-UHFFFAOYSA-N 2 2 300.368 3.622 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000157451336 1022549796 /nfs/dbraw/zinc/54/97/96/1022549796.db2.gz OBQCDMHSEIKDHY-UHFFFAOYSA-N 2 2 300.368 3.622 20 0 DHADLP C[C@@]1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCCS1 ZINC000628297428 1022617368 /nfs/dbraw/zinc/61/73/68/1022617368.db2.gz WUVSEGHPRWDPTD-INIZCTEOSA-N 2 2 321.877 3.901 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311734 1022678866 /nfs/dbraw/zinc/67/88/66/1022678866.db2.gz MMLJMRFEVQKQNF-SOUVJXGZSA-N 2 2 301.459 3.727 20 0 DHADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCCO2 ZINC000768103682 1022887814 /nfs/dbraw/zinc/88/78/14/1022887814.db2.gz VIGZVEYYZMSWSZ-MAUKXSAKSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCCO2 ZINC000768103682 1022887830 /nfs/dbraw/zinc/88/78/30/1022887830.db2.gz VIGZVEYYZMSWSZ-MAUKXSAKSA-N 2 2 302.462 3.537 20 0 DHADLP CSc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222147867 1022899121 /nfs/dbraw/zinc/89/91/21/1022899121.db2.gz CPRQCRGUMDTGBC-INIZCTEOSA-N 2 2 310.894 3.637 20 0 DHADLP CSc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222147867 1022899138 /nfs/dbraw/zinc/89/91/38/1022899138.db2.gz CPRQCRGUMDTGBC-INIZCTEOSA-N 2 2 310.894 3.637 20 0 DHADLP CCOc1cc(F)cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000876561401 1033091872 /nfs/dbraw/zinc/09/18/72/1033091872.db2.gz SFRPSFBURWAJDR-UHFFFAOYSA-N 2 2 308.441 3.529 20 0 DHADLP CCOc1cc(F)cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000876561401 1033091883 /nfs/dbraw/zinc/09/18/83/1033091883.db2.gz SFRPSFBURWAJDR-UHFFFAOYSA-N 2 2 308.441 3.529 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2N2CCCCC2)CC1 ZINC000768233001 1022930528 /nfs/dbraw/zinc/93/05/28/1022930528.db2.gz HTYMARFDZIBGFO-UHFFFAOYSA-N 2 2 315.505 3.593 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2N2CCCCC2)CC1 ZINC000768233001 1022930540 /nfs/dbraw/zinc/93/05/40/1022930540.db2.gz HTYMARFDZIBGFO-UHFFFAOYSA-N 2 2 315.505 3.593 20 0 DHADLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000538559164 1033100342 /nfs/dbraw/zinc/10/03/42/1033100342.db2.gz YGNZYZWFWFMTEY-RTBURBONSA-N 2 2 324.472 3.785 20 0 DHADLP CCCC[C@@H](CC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538587305 1033101995 /nfs/dbraw/zinc/10/19/95/1033101995.db2.gz QBCBESHGJKVTJZ-MRXNPFEDSA-N 2 2 318.509 3.993 20 0 DHADLP CC(C)[C@H](Cc1ccccc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000364464912 1023206043 /nfs/dbraw/zinc/20/60/43/1023206043.db2.gz ICQFKQMQYZJNQT-IBGZPJMESA-N 2 2 311.473 3.619 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000769868108 1023222200 /nfs/dbraw/zinc/22/22/00/1023222200.db2.gz ODPAYYSPEWUFKC-HNNXBMFYSA-N 2 2 315.461 3.718 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000769868108 1023222207 /nfs/dbraw/zinc/22/22/07/1023222207.db2.gz ODPAYYSPEWUFKC-HNNXBMFYSA-N 2 2 315.461 3.718 20 0 DHADLP CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000109804121 1023250105 /nfs/dbraw/zinc/25/01/05/1023250105.db2.gz VGRPLAYITMQTDM-UHFFFAOYSA-N 2 2 301.434 3.584 20 0 DHADLP CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000109804121 1023250112 /nfs/dbraw/zinc/25/01/12/1023250112.db2.gz VGRPLAYITMQTDM-UHFFFAOYSA-N 2 2 301.434 3.584 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652134572 1023345151 /nfs/dbraw/zinc/34/51/51/1023345151.db2.gz YATLBAGLCLIBJO-RTBURBONSA-N 2 2 301.478 3.777 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000652134572 1023345156 /nfs/dbraw/zinc/34/51/56/1023345156.db2.gz YATLBAGLCLIBJO-RTBURBONSA-N 2 2 301.478 3.777 20 0 DHADLP C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000093077743 1023419901 /nfs/dbraw/zinc/41/99/01/1023419901.db2.gz QNHLAPXCYVPJQD-CYBMUJFWSA-N 2 2 324.453 3.668 20 0 DHADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000651675869 1023451548 /nfs/dbraw/zinc/45/15/48/1023451548.db2.gz GAYJINKMWZIHHR-ABAIWWIYSA-N 2 2 308.828 3.540 20 0 DHADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000651675869 1023451554 /nfs/dbraw/zinc/45/15/54/1023451554.db2.gz GAYJINKMWZIHHR-ABAIWWIYSA-N 2 2 308.828 3.540 20 0 DHADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000652222201 1023708362 /nfs/dbraw/zinc/70/83/62/1023708362.db2.gz HRKUNXYDHSWENB-QGZVFWFLSA-N 2 2 306.498 3.599 20 0 DHADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000652222201 1023708366 /nfs/dbraw/zinc/70/83/66/1023708366.db2.gz HRKUNXYDHSWENB-QGZVFWFLSA-N 2 2 306.498 3.599 20 0 DHADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000786802119 1023729112 /nfs/dbraw/zinc/72/91/12/1023729112.db2.gz WPNSCNQLYRABCR-OXQOHEQNSA-N 2 2 321.424 3.738 20 0 DHADLP Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787283878 1023779623 /nfs/dbraw/zinc/77/96/23/1023779623.db2.gz GBMHMIWFTVXOKF-OXJNMPFZSA-N 2 2 321.424 3.565 20 0 DHADLP CCOCC[C@H](C)[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001172417945 1033161745 /nfs/dbraw/zinc/16/17/45/1033161745.db2.gz XWRXWUYZYXZJOA-INIZCTEOSA-N 2 2 322.468 3.503 20 0 DHADLP C[N@H+](CCC[NH2+][C@H]1CCc2ccc(Cl)nc21)C1CCCCC1 ZINC000788504149 1023896378 /nfs/dbraw/zinc/89/63/78/1023896378.db2.gz GGCRMPZFZZCUER-INIZCTEOSA-N 2 2 321.896 3.967 20 0 DHADLP C[N@@H+](CCC[NH2+][C@H]1CCc2ccc(Cl)nc21)C1CCCCC1 ZINC000788504149 1023896379 /nfs/dbraw/zinc/89/63/79/1023896379.db2.gz GGCRMPZFZZCUER-INIZCTEOSA-N 2 2 321.896 3.967 20 0 DHADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788537594 1023901983 /nfs/dbraw/zinc/90/19/83/1023901983.db2.gz CLTGVTVBKOKTGB-IIAWOOMASA-N 2 2 321.896 3.680 20 0 DHADLP CN(c1ccc([NH2+]C2CC(C)(C)C2)cc1)C1CC[NH+](C)CC1 ZINC000788596734 1023911356 /nfs/dbraw/zinc/91/13/56/1023911356.db2.gz PTHNCZTXKSFFTD-UHFFFAOYSA-N 2 2 301.478 3.818 20 0 DHADLP Cc1cc([NH+]2CCCCC2)ccc1NCc1ccc(N)[nH+]c1C ZINC001167787906 1023921920 /nfs/dbraw/zinc/92/19/20/1023921920.db2.gz KMYCZMSPMHUHLH-UHFFFAOYSA-N 2 2 310.445 3.883 20 0 DHADLP CC[C@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172394657 1033179269 /nfs/dbraw/zinc/17/92/69/1033179269.db2.gz XOUKTXPZCBCZLW-QGZVFWFLSA-N 2 2 304.478 3.771 20 0 DHADLP COc1cccc2c(NCCCn3cc[nH+]c3C)cc(C)[nH+]c12 ZINC000337796292 1033179967 /nfs/dbraw/zinc/17/99/67/1033179967.db2.gz GETCTEBRIWWZLC-UHFFFAOYSA-N 2 2 310.401 3.559 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000538800249 1033186380 /nfs/dbraw/zinc/18/63/80/1033186380.db2.gz ZCIZCBULKCZNHI-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000538800249 1033186385 /nfs/dbraw/zinc/18/63/85/1033186385.db2.gz ZCIZCBULKCZNHI-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000538800249 1033186393 /nfs/dbraw/zinc/18/63/93/1033186393.db2.gz ZCIZCBULKCZNHI-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000538800249 1033186397 /nfs/dbraw/zinc/18/63/97/1033186397.db2.gz ZCIZCBULKCZNHI-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC001170111497 1024120024 /nfs/dbraw/zinc/12/00/24/1024120024.db2.gz CTRHXSWKYKGDSD-KBXCAEBGSA-N 2 2 304.453 3.877 20 0 DHADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268762297 1024156340 /nfs/dbraw/zinc/15/63/40/1024156340.db2.gz IAGMNCZLLLFQNJ-SQNIBIBYSA-N 2 2 312.457 3.649 20 0 DHADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000268762297 1024156346 /nfs/dbraw/zinc/15/63/46/1024156346.db2.gz IAGMNCZLLLFQNJ-SQNIBIBYSA-N 2 2 312.457 3.649 20 0 DHADLP CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000268783636 1024158530 /nfs/dbraw/zinc/15/85/30/1024158530.db2.gz UZHMNXWXMWINEA-INIZCTEOSA-N 2 2 323.444 3.560 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000268797920 1024163154 /nfs/dbraw/zinc/16/31/54/1024163154.db2.gz JDTHLMQVWUVVTB-NQBHXWOUSA-N 2 2 323.893 3.768 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000268797920 1024163161 /nfs/dbraw/zinc/16/31/61/1024163161.db2.gz JDTHLMQVWUVVTB-NQBHXWOUSA-N 2 2 323.893 3.768 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000268809955 1024166500 /nfs/dbraw/zinc/16/65/00/1024166500.db2.gz KPWDDKQLSJQJOD-HOTGVXAUSA-N 2 2 306.413 3.684 20 0 DHADLP Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268957413 1024203326 /nfs/dbraw/zinc/20/33/26/1024203326.db2.gz WLHZGBFEZMXHEC-JXFKEZNVSA-N 2 2 321.424 3.565 20 0 DHADLP COCc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000121423087 1024235949 /nfs/dbraw/zinc/23/59/49/1024235949.db2.gz RSKCINUWQDPCOX-MRXNPFEDSA-N 2 2 321.424 3.870 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1F ZINC000531682558 1024268515 /nfs/dbraw/zinc/26/85/15/1024268515.db2.gz RDGIRLMXYZWNCQ-APHBMKBZSA-N 2 2 308.466 3.825 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1F ZINC000531682558 1024268534 /nfs/dbraw/zinc/26/85/34/1024268534.db2.gz RDGIRLMXYZWNCQ-APHBMKBZSA-N 2 2 308.466 3.825 20 0 DHADLP FC1(F)CCC[C@@H]1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000883265529 1024336490 /nfs/dbraw/zinc/33/64/90/1024336490.db2.gz DUACXRUJOMLQKL-GFCCVEGCSA-N 2 2 311.401 3.849 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883386571 1024421095 /nfs/dbraw/zinc/42/10/95/1024421095.db2.gz INGOJTQCHWXSIE-QFBILLFUSA-N 2 2 309.413 3.828 20 0 DHADLP C[C@@H](CCC(F)(F)F)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388589 1024421939 /nfs/dbraw/zinc/42/19/39/1024421939.db2.gz YIRMGVLFIMMXPM-ZFWWWQNUSA-N 2 2 311.351 3.945 20 0 DHADLP c1cn(C[C@@H]([NH2+][C@@H]2CCCc3occc32)c2ccccc2)c[nH+]1 ZINC000883387639 1024422081 /nfs/dbraw/zinc/42/20/81/1024422081.db2.gz AWIMZRYAPPJKSM-QZTJIDSGSA-N 2 2 307.397 3.885 20 0 DHADLP CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccncc1 ZINC000883387767 1024423045 /nfs/dbraw/zinc/42/30/45/1024423045.db2.gz DXAGBGIKRIYJHT-OALUTQOASA-N 2 2 306.413 3.760 20 0 DHADLP c1cn2c(cccc2CNc2ccc(C[NH+]3CCCCC3)cc2)[nH+]1 ZINC000883404319 1024429120 /nfs/dbraw/zinc/42/91/20/1024429120.db2.gz WWAYEAQKGNLWGH-UHFFFAOYSA-N 2 2 320.440 3.932 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC000453307494 1024454116 /nfs/dbraw/zinc/45/41/16/1024454116.db2.gz LNKDFAAAUYRGHE-YLJYHZDGSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC000453307494 1024454126 /nfs/dbraw/zinc/45/41/26/1024454126.db2.gz LNKDFAAAUYRGHE-YLJYHZDGSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000453308261 1024454893 /nfs/dbraw/zinc/45/48/93/1024454893.db2.gz MUHRZZSSYBVKAE-VQIMIIECSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000453308261 1024454899 /nfs/dbraw/zinc/45/48/99/1024454899.db2.gz MUHRZZSSYBVKAE-VQIMIIECSA-N 2 2 315.505 3.708 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(C3CCC3)CCC2)CC1 ZINC000453412214 1024504986 /nfs/dbraw/zinc/50/49/86/1024504986.db2.gz XVZVDSCTTSTFIU-UHFFFAOYSA-N 2 2 318.427 3.963 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000271564368 1024540762 /nfs/dbraw/zinc/54/07/62/1024540762.db2.gz XNMQNLLVCRLDPM-IAGOWNOFSA-N 2 2 324.472 3.661 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2F ZINC000317428942 1024540939 /nfs/dbraw/zinc/54/09/39/1024540939.db2.gz KEETUHMPDWIEDH-IRXDYDNUSA-N 2 2 301.409 3.714 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000271564367 1024541347 /nfs/dbraw/zinc/54/13/47/1024541347.db2.gz XNMQNLLVCRLDPM-DLBZAZTESA-N 2 2 324.472 3.661 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000315336109 1024555334 /nfs/dbraw/zinc/55/53/34/1024555334.db2.gz DZHDENNXOVJGQB-TZMCWYRMSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000315336109 1024555343 /nfs/dbraw/zinc/55/53/43/1024555343.db2.gz DZHDENNXOVJGQB-TZMCWYRMSA-N 2 2 319.836 3.554 20 0 DHADLP Cc1ccc2c(Nc3ccnn3-c3cc[nH+]cc3)cccc2[nH+]1 ZINC001212797063 1024562324 /nfs/dbraw/zinc/56/23/24/1024562324.db2.gz WAHTYYLUTINUKX-UHFFFAOYSA-N 2 2 301.353 3.868 20 0 DHADLP CCCC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925795339 1024569544 /nfs/dbraw/zinc/56/95/44/1024569544.db2.gz JZCMKUYMTLOUIF-RTBURBONSA-N 2 2 316.489 3.666 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000532240134 1024585799 /nfs/dbraw/zinc/58/57/99/1024585799.db2.gz DPUXEYAUFLAYSM-IRXDYDNUSA-N 2 2 309.457 3.741 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(-c2ccncc2)c1 ZINC000532240134 1024585806 /nfs/dbraw/zinc/58/58/06/1024585806.db2.gz DPUXEYAUFLAYSM-IRXDYDNUSA-N 2 2 309.457 3.741 20 0 DHADLP CSC(C)(C)CC[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000877066106 1033224915 /nfs/dbraw/zinc/22/49/15/1033224915.db2.gz CRKBZUULDRZGBI-MRXNPFEDSA-N 2 2 317.502 3.825 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000349181836 1024685296 /nfs/dbraw/zinc/68/52/96/1024685296.db2.gz FNSSIALZZGWTPE-UHFFFAOYSA-N 2 2 320.506 3.938 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(C(C)C)s1 ZINC000349181836 1024685304 /nfs/dbraw/zinc/68/53/04/1024685304.db2.gz FNSSIALZZGWTPE-UHFFFAOYSA-N 2 2 320.506 3.938 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001168157226 1024711255 /nfs/dbraw/zinc/71/12/55/1024711255.db2.gz YQVMRHCISZHBOC-HOTGVXAUSA-N 2 2 308.897 3.981 20 0 DHADLP CC[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCO1 ZINC000648452749 1024729245 /nfs/dbraw/zinc/72/92/45/1024729245.db2.gz QKZXGZGFIXQSLE-CGTJXYLNSA-N 2 2 304.478 3.663 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc3c(ccc(C)c3C)[nH]1)CCC2 ZINC000349609902 1024733189 /nfs/dbraw/zinc/73/31/89/1024733189.db2.gz KLTQXHGWTXZTGH-INIZCTEOSA-N 2 2 322.456 3.957 20 0 DHADLP CNc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC001170333640 1024747611 /nfs/dbraw/zinc/74/76/11/1024747611.db2.gz QAGUSDVUAGCJAP-LDLYASANSA-N 2 2 322.456 3.731 20 0 DHADLP CNc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC001170333640 1024747618 /nfs/dbraw/zinc/74/76/18/1024747618.db2.gz QAGUSDVUAGCJAP-LDLYASANSA-N 2 2 322.456 3.731 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C12CCCC2 ZINC000321335977 1024822002 /nfs/dbraw/zinc/82/20/02/1024822002.db2.gz QLFAXVSPBNUUEX-IXDOHACOSA-N 2 2 319.493 3.625 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(F)cc(F)c1 ZINC000162882351 1024918920 /nfs/dbraw/zinc/91/89/20/1024918920.db2.gz NZEKLIPMBMCPQD-CYBMUJFWSA-N 2 2 305.372 3.903 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319977001 1024920521 /nfs/dbraw/zinc/92/05/21/1024920521.db2.gz JHKVOCXMQYBGMN-CJNGLKHVSA-N 2 2 316.405 3.557 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2n[nH]cc2c1 ZINC000353101530 1024947568 /nfs/dbraw/zinc/94/75/68/1024947568.db2.gz NRUCAMHFUKKJNL-AWEZNQCLSA-N 2 2 317.396 3.599 20 0 DHADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001172577034 1033253539 /nfs/dbraw/zinc/25/35/39/1033253539.db2.gz QRFSEFKXYLVTRP-DGCLKSJQSA-N 2 2 316.823 3.623 20 0 DHADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001172577034 1033253540 /nfs/dbraw/zinc/25/35/40/1033253540.db2.gz QRFSEFKXYLVTRP-DGCLKSJQSA-N 2 2 316.823 3.623 20 0 DHADLP C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353405613 1025057076 /nfs/dbraw/zinc/05/70/76/1025057076.db2.gz OYMGFTBWNHKLNZ-MRXNPFEDSA-N 2 2 303.409 3.992 20 0 DHADLP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353405613 1025057104 /nfs/dbraw/zinc/05/71/04/1025057104.db2.gz OYMGFTBWNHKLNZ-MRXNPFEDSA-N 2 2 303.409 3.992 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000353452241 1025075031 /nfs/dbraw/zinc/07/50/31/1025075031.db2.gz ZFAIGFLLIRFBMB-KRWDZBQOSA-N 2 2 320.440 3.528 20 0 DHADLP COc1c(C)c[nH+]c(CNc2ccc3c(c2)[nH+]c(C)n3C)c1C ZINC000877159223 1033257797 /nfs/dbraw/zinc/25/77/97/1033257797.db2.gz BMCLWAKSGSPWCT-UHFFFAOYSA-N 2 2 310.401 3.514 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cn1 ZINC000353538345 1025116482 /nfs/dbraw/zinc/11/64/82/1025116482.db2.gz SYTKDZGUFPEPPH-IBGZPJMESA-N 2 2 324.403 3.893 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000353639998 1025171693 /nfs/dbraw/zinc/17/16/93/1025171693.db2.gz FPWCTMTWPCAPKR-JSGCOSHPSA-N 2 2 301.459 3.730 20 0 DHADLP C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000112600187 1025251530 /nfs/dbraw/zinc/25/15/30/1025251530.db2.gz JOQJTRODGPCEQN-OAHLLOKOSA-N 2 2 307.397 3.771 20 0 DHADLP C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000112600187 1025251541 /nfs/dbraw/zinc/25/15/41/1025251541.db2.gz JOQJTRODGPCEQN-OAHLLOKOSA-N 2 2 307.397 3.771 20 0 DHADLP Cc1c(Cl)c(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)nc2ccccc12 ZINC000228179652 1025256032 /nfs/dbraw/zinc/25/60/32/1025256032.db2.gz KFNKCZFRUFNLQR-YPMHNXCESA-N 2 2 303.837 3.508 20 0 DHADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)nc2ccccc12 ZINC000228179652 1025256037 /nfs/dbraw/zinc/25/60/37/1025256037.db2.gz KFNKCZFRUFNLQR-YPMHNXCESA-N 2 2 303.837 3.508 20 0 DHADLP Clc1ccc(C2CC([NH2+]CCCCn3cc[nH+]c3)C2)cc1 ZINC000045106004 1025259662 /nfs/dbraw/zinc/25/96/62/1025259662.db2.gz AWPJHSAQTNTEEE-UHFFFAOYSA-N 2 2 303.837 3.853 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000320257847 1025287349 /nfs/dbraw/zinc/28/73/49/1025287349.db2.gz BZADGQXFEUIKSS-KXBFYZLASA-N 2 2 312.457 3.983 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000320257847 1025287362 /nfs/dbraw/zinc/28/73/62/1025287362.db2.gz BZADGQXFEUIKSS-KXBFYZLASA-N 2 2 312.457 3.983 20 0 DHADLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000353970086 1025306636 /nfs/dbraw/zinc/30/66/36/1025306636.db2.gz BPPAUBBWKCZWDV-APWZRJJASA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000353970086 1025306646 /nfs/dbraw/zinc/30/66/46/1025306646.db2.gz BPPAUBBWKCZWDV-APWZRJJASA-N 2 2 302.462 3.537 20 0 DHADLP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354106027 1025353655 /nfs/dbraw/zinc/35/36/55/1025353655.db2.gz GQZRMHYMSCZYTN-MRXNPFEDSA-N 2 2 321.534 3.505 20 0 DHADLP CC(C)Cc1ncc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354106027 1025353668 /nfs/dbraw/zinc/35/36/68/1025353668.db2.gz GQZRMHYMSCZYTN-MRXNPFEDSA-N 2 2 321.534 3.505 20 0 DHADLP CC(C)Cc1ncc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000354106027 1025353685 /nfs/dbraw/zinc/35/36/85/1025353685.db2.gz GQZRMHYMSCZYTN-MRXNPFEDSA-N 2 2 321.534 3.505 20 0 DHADLP CC(C)Cc1ncc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000354106027 1025353702 /nfs/dbraw/zinc/35/37/02/1025353702.db2.gz GQZRMHYMSCZYTN-MRXNPFEDSA-N 2 2 321.534 3.505 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC001168234659 1025360749 /nfs/dbraw/zinc/36/07/49/1025360749.db2.gz NUZWIHAGARILPQ-UHFFFAOYSA-N 2 2 321.399 3.878 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2c(F)cccc2C1 ZINC001168234659 1025360769 /nfs/dbraw/zinc/36/07/69/1025360769.db2.gz NUZWIHAGARILPQ-UHFFFAOYSA-N 2 2 321.399 3.878 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000885922865 1025405445 /nfs/dbraw/zinc/40/54/45/1025405445.db2.gz JXERDAODWQJVNH-KZNAEPCWSA-N 2 2 308.510 3.721 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000885922865 1025405450 /nfs/dbraw/zinc/40/54/50/1025405450.db2.gz JXERDAODWQJVNH-KZNAEPCWSA-N 2 2 308.510 3.721 20 0 DHADLP C[C@@H](C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1)C(F)(F)F ZINC000539117916 1033281335 /nfs/dbraw/zinc/28/13/35/1033281335.db2.gz VVNZCTCDQMSRRM-ZDUSSCGKSA-N 2 2 302.384 3.685 20 0 DHADLP C[C@@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1)C(F)(F)F ZINC000539117916 1033281343 /nfs/dbraw/zinc/28/13/43/1033281343.db2.gz VVNZCTCDQMSRRM-ZDUSSCGKSA-N 2 2 302.384 3.685 20 0 DHADLP C[C@@H]([NH2+]CCCOC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125305907 1025466055 /nfs/dbraw/zinc/46/60/55/1025466055.db2.gz RNBFEIIVGUNGMG-MRXNPFEDSA-N 2 2 313.445 3.872 20 0 DHADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H](C)c1nc2ccccc2s1 ZINC000354935641 1025549517 /nfs/dbraw/zinc/54/95/17/1025549517.db2.gz RBTCTPMKNLHRFA-KBPBESRZSA-N 2 2 317.502 3.862 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCc3cccnc32)CC1 ZINC000886528250 1025679400 /nfs/dbraw/zinc/67/94/00/1025679400.db2.gz JDWPBZHBJLTGKP-UZLBHIALSA-N 2 2 321.468 3.884 20 0 DHADLP COc1ccccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000359866718 1025725558 /nfs/dbraw/zinc/72/55/58/1025725558.db2.gz GHDLOXQTNAOCIW-KRWDZBQOSA-N 2 2 313.445 3.680 20 0 DHADLP COc1ccccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000359866718 1025725568 /nfs/dbraw/zinc/72/55/68/1025725568.db2.gz GHDLOXQTNAOCIW-KRWDZBQOSA-N 2 2 313.445 3.680 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000359865132 1025725904 /nfs/dbraw/zinc/72/59/04/1025725904.db2.gz DCQIMWYIENTXKQ-KRWDZBQOSA-N 2 2 323.444 3.547 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000359865132 1025725916 /nfs/dbraw/zinc/72/59/16/1025725916.db2.gz DCQIMWYIENTXKQ-KRWDZBQOSA-N 2 2 323.444 3.547 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3scnc3Cl)CC2)[nH+]c1C ZINC000886659682 1025766293 /nfs/dbraw/zinc/76/62/93/1025766293.db2.gz SNHHRWJJHYRFNN-UHFFFAOYSA-N 2 2 310.854 3.516 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3nc4ccccc4o3)CC2)[nH+]c1C ZINC000886670265 1025775668 /nfs/dbraw/zinc/77/56/68/1025775668.db2.gz MALCKTPKILHZMK-UHFFFAOYSA-N 2 2 310.401 3.547 20 0 DHADLP c1ccc(N2CCC([NH2+][C@H]3CCCOc4ccccc43)CC2)[nH+]c1 ZINC000133584799 1025782153 /nfs/dbraw/zinc/78/21/53/1025782153.db2.gz KNQHWDHMYRAHMF-SFHVURJKSA-N 2 2 323.440 3.554 20 0 DHADLP COc1c(Cl)cccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000897482754 1025863354 /nfs/dbraw/zinc/86/33/54/1025863354.db2.gz VRFXVJCRMGCKNE-UHFFFAOYSA-N 2 2 310.869 3.701 20 0 DHADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccn2)cc1 ZINC000248130001 1025932887 /nfs/dbraw/zinc/93/28/87/1025932887.db2.gz OHZAIZDPKDULGK-DSKINZAPSA-N 2 2 323.484 3.746 20 0 DHADLP Cc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccn2)cc1 ZINC000248130001 1025932907 /nfs/dbraw/zinc/93/29/07/1025932907.db2.gz OHZAIZDPKDULGK-DSKINZAPSA-N 2 2 323.484 3.746 20 0 DHADLP Cc1cc[nH+]c(N)c1CNc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000894116596 1025937541 /nfs/dbraw/zinc/93/75/41/1025937541.db2.gz WAMVTJKLAUSZOR-UHFFFAOYSA-N 2 2 310.445 3.821 20 0 DHADLP C[N@@H+](Cc1cscc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000356090149 1025942947 /nfs/dbraw/zinc/94/29/47/1025942947.db2.gz DXVYVSAYSNFMAS-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[N@H+](Cc1cscc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000356090149 1025942964 /nfs/dbraw/zinc/94/29/64/1025942964.db2.gz DXVYVSAYSNFMAS-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1cscc1C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000356090149 1025942976 /nfs/dbraw/zinc/94/29/76/1025942976.db2.gz DXVYVSAYSNFMAS-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1cscc1C(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000356090149 1025942992 /nfs/dbraw/zinc/94/29/92/1025942992.db2.gz DXVYVSAYSNFMAS-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052005270 1026094537 /nfs/dbraw/zinc/09/45/37/1026094537.db2.gz LKNIPYMIIZDRLM-PKOBYXMFSA-N 2 2 308.510 3.532 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCC3)s2)[C@@H](C)C1 ZINC000245780366 1026210844 /nfs/dbraw/zinc/21/08/44/1026210844.db2.gz UFVBMLVAIPSCAW-YOEHRIQHSA-N 2 2 321.534 3.963 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCCC3)s2)[C@@H](C)C1 ZINC000245780366 1026210858 /nfs/dbraw/zinc/21/08/58/1026210858.db2.gz UFVBMLVAIPSCAW-YOEHRIQHSA-N 2 2 321.534 3.963 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CCCC3)s2)[C@@H](C)C1 ZINC000245780366 1026210863 /nfs/dbraw/zinc/21/08/63/1026210863.db2.gz UFVBMLVAIPSCAW-YOEHRIQHSA-N 2 2 321.534 3.963 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CCCC3)s2)[C@@H](C)C1 ZINC000245780366 1026210874 /nfs/dbraw/zinc/21/08/74/1026210874.db2.gz UFVBMLVAIPSCAW-YOEHRIQHSA-N 2 2 321.534 3.963 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000808698282 1026372753 /nfs/dbraw/zinc/37/27/53/1026372753.db2.gz LLBNPNLZZQOMQS-HNAYVOBHSA-N 2 2 311.473 3.928 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000808698282 1026372761 /nfs/dbraw/zinc/37/27/61/1026372761.db2.gz LLBNPNLZZQOMQS-HNAYVOBHSA-N 2 2 311.473 3.928 20 0 DHADLP CC(C)c1cnc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000809738927 1026611414 /nfs/dbraw/zinc/61/14/14/1026611414.db2.gz PQTVJGITCHELCU-UHFFFAOYSA-N 2 2 317.502 3.960 20 0 DHADLP CC(C)c1cnc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000809738927 1026611417 /nfs/dbraw/zinc/61/14/17/1026611417.db2.gz PQTVJGITCHELCU-UHFFFAOYSA-N 2 2 317.502 3.960 20 0 DHADLP CSc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000810139688 1026686603 /nfs/dbraw/zinc/68/66/03/1026686603.db2.gz LDNGTHOUWRIDHF-UHFFFAOYSA-N 2 2 315.467 3.946 20 0 DHADLP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319629889 1026701279 /nfs/dbraw/zinc/70/12/79/1026701279.db2.gz ARTQIDDVHTVFNR-CRAIPNDOSA-N 2 2 315.461 3.966 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420362726 1026808636 /nfs/dbraw/zinc/80/86/36/1026808636.db2.gz HRVUWFNOODOTHG-CJNGLKHVSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420362726 1026808647 /nfs/dbraw/zinc/80/86/47/1026808647.db2.gz HRVUWFNOODOTHG-CJNGLKHVSA-N 2 2 323.278 3.586 20 0 DHADLP C[NH2+]CCC[N@H+](C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000420390854 1026811160 /nfs/dbraw/zinc/81/11/60/1026811160.db2.gz RGZDZRUCFKTFCY-UHFFFAOYSA-N 2 2 317.502 3.975 20 0 DHADLP C[NH2+]CCC[N@@H+](C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000420390854 1026811172 /nfs/dbraw/zinc/81/11/72/1026811172.db2.gz RGZDZRUCFKTFCY-UHFFFAOYSA-N 2 2 317.502 3.975 20 0 DHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC(OC(C)(C)C)C1 ZINC000421371609 1026967758 /nfs/dbraw/zinc/96/77/58/1026967758.db2.gz LKCCWBIAGLIMJX-UHFFFAOYSA-N 2 2 319.474 3.712 20 0 DHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC(OC(C)(C)C)C1 ZINC000421371609 1026967765 /nfs/dbraw/zinc/96/77/65/1026967765.db2.gz LKCCWBIAGLIMJX-UHFFFAOYSA-N 2 2 319.474 3.712 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811472647 1027014677 /nfs/dbraw/zinc/01/46/77/1027014677.db2.gz LHIOOAZPAUJGTM-GFCCVEGCSA-N 2 2 316.276 3.743 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811472647 1027014683 /nfs/dbraw/zinc/01/46/83/1027014683.db2.gz LHIOOAZPAUJGTM-GFCCVEGCSA-N 2 2 316.276 3.743 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421821522 1027057674 /nfs/dbraw/zinc/05/76/74/1027057674.db2.gz RXLVSYVDVROYRZ-CYBMUJFWSA-N 2 2 310.869 3.874 20 0 DHADLP Clc1c2ccccc2sc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422640407 1027292613 /nfs/dbraw/zinc/29/26/13/1027292613.db2.gz VKWSMMKFHOMUJZ-UHFFFAOYSA-N 2 2 306.862 3.883 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cs2)o1 ZINC000422642349 1027294195 /nfs/dbraw/zinc/29/41/95/1027294195.db2.gz ZINHNGKPJSPXKN-DYEKYZERSA-N 2 2 319.474 3.517 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cs2)o1 ZINC000422642349 1027294208 /nfs/dbraw/zinc/29/42/08/1027294208.db2.gz ZINHNGKPJSPXKN-DYEKYZERSA-N 2 2 319.474 3.517 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)c2ccccc21 ZINC000422798612 1027326314 /nfs/dbraw/zinc/32/63/14/1027326314.db2.gz RYVDRYUSASUGQH-LSDHHAIUSA-N 2 2 322.330 3.820 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H]3C[NH2+]CC[C@H]3C)cc2)cs1 ZINC000422807756 1027329785 /nfs/dbraw/zinc/32/97/85/1027329785.db2.gz PJNRZISGMQVZEI-IIYDPXPESA-N 2 2 315.486 3.767 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000573885549 1027338057 /nfs/dbraw/zinc/33/80/57/1027338057.db2.gz LIHKSCQTGBNSFI-ADVGAGMGSA-N 2 2 324.415 3.623 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000573885549 1027338063 /nfs/dbraw/zinc/33/80/63/1027338063.db2.gz LIHKSCQTGBNSFI-ADVGAGMGSA-N 2 2 324.415 3.623 20 0 DHADLP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422886955 1027350607 /nfs/dbraw/zinc/35/06/07/1027350607.db2.gz AFJHFAIXNCKFFW-QLFBSQMISA-N 2 2 307.507 3.667 20 0 DHADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422870360 1027355015 /nfs/dbraw/zinc/35/50/15/1027355015.db2.gz YQDMFGZVVGJHJA-CHWSQXEVSA-N 2 2 313.426 3.526 20 0 DHADLP C[C@@H]([NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422942063 1027368697 /nfs/dbraw/zinc/36/86/97/1027368697.db2.gz JZRAIUBUDKQVOY-BZNIZROVSA-N 2 2 306.862 3.688 20 0 DHADLP C[C@H]([NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422942065 1027370176 /nfs/dbraw/zinc/37/01/76/1027370176.db2.gz JZRAIUBUDKQVOY-ZBEGNZNMSA-N 2 2 306.862 3.688 20 0 DHADLP C[C@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000422982270 1027388353 /nfs/dbraw/zinc/38/83/53/1027388353.db2.gz QDMCPRCAZULNJT-BHYGNILZSA-N 2 2 300.471 3.762 20 0 DHADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc2ccccc2o1 ZINC000423182538 1027441525 /nfs/dbraw/zinc/44/15/25/1027441525.db2.gz FGWJRQSQJOGRMU-OAHLLOKOSA-N 2 2 309.413 3.658 20 0 DHADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423181135 1027443104 /nfs/dbraw/zinc/44/31/04/1027443104.db2.gz FRPUTVUOFDISNT-IAGOWNOFSA-N 2 2 300.471 3.682 20 0 DHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423190398 1027447969 /nfs/dbraw/zinc/44/79/69/1027447969.db2.gz NWKIOOWGOVFIAJ-QAPCUYQASA-N 2 2 310.441 3.765 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1(c2ccccc2)CCCC1 ZINC000575166117 1027462410 /nfs/dbraw/zinc/46/24/10/1027462410.db2.gz YIYHOESHXYJAHS-SJLPKXTDSA-N 2 2 309.457 3.688 20 0 DHADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Br)cc1 ZINC000423232953 1027468985 /nfs/dbraw/zinc/46/89/85/1027468985.db2.gz CVWWDMQDJLUIMP-WBMJQRKESA-N 2 2 319.246 3.800 20 0 DHADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(OC(F)F)c1 ZINC000423243763 1027471363 /nfs/dbraw/zinc/47/13/63/1027471363.db2.gz NBUVDJIIOZGMGD-WBMJQRKESA-N 2 2 306.356 3.639 20 0 DHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000423266732 1027472860 /nfs/dbraw/zinc/47/28/60/1027472860.db2.gz CDJVRZDARLPWSM-HNNXBMFYSA-N 2 2 317.477 3.608 20 0 DHADLP COCCC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423251463 1027475815 /nfs/dbraw/zinc/47/58/15/1027475815.db2.gz WGVLLULHGJBHBV-RBUKOAKNSA-N 2 2 316.420 3.583 20 0 DHADLP COC1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000295928004 1027494055 /nfs/dbraw/zinc/49/40/55/1027494055.db2.gz FMASHQYZQKVNJV-UHFFFAOYSA-N 2 2 319.836 3.573 20 0 DHADLP CCc1ccccc1CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000562541966 1027494048 /nfs/dbraw/zinc/49/40/48/1027494048.db2.gz FUMFRNMLFDCZLN-UHFFFAOYSA-N 2 2 309.457 3.763 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423294634 1027499436 /nfs/dbraw/zinc/49/94/36/1027499436.db2.gz CLRNWGQVMVBQBB-SWLSCSKDSA-N 2 2 315.383 3.585 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423300457 1027504635 /nfs/dbraw/zinc/50/46/35/1027504635.db2.gz RQZNSPRTRRYLOP-GXSJLCMTSA-N 2 2 317.296 3.605 20 0 DHADLP [NH3+]C1(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CCC1 ZINC000423323991 1027506182 /nfs/dbraw/zinc/50/61/82/1027506182.db2.gz JVIYRWVGVMRETF-QGZVFWFLSA-N 2 2 300.833 3.900 20 0 DHADLP COCCC[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(F)cc1 ZINC000423389977 1027531236 /nfs/dbraw/zinc/53/12/36/1027531236.db2.gz NXNYDNQSIGUBKU-ROUUACIJSA-N 2 2 322.468 3.661 20 0 DHADLP CC[N@H+](Cc1ncc(C)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000296093522 1027537498 /nfs/dbraw/zinc/53/74/98/1027537498.db2.gz RKYORQKVIBITNK-UHFFFAOYSA-N 2 2 303.475 3.535 20 0 DHADLP CC[N@@H+](Cc1ncc(C)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000296093522 1027537505 /nfs/dbraw/zinc/53/75/05/1027537505.db2.gz RKYORQKVIBITNK-UHFFFAOYSA-N 2 2 303.475 3.535 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423503649 1027566420 /nfs/dbraw/zinc/56/64/20/1027566420.db2.gz MYJVOZQEPLQOCE-RBUKOAKNSA-N 2 2 310.441 3.622 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000423509551 1027566662 /nfs/dbraw/zinc/56/66/62/1027566662.db2.gz ROPKWDOMSRSWFY-SCLBCKFNSA-N 2 2 316.420 3.747 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000423495824 1027574193 /nfs/dbraw/zinc/57/41/93/1027574193.db2.gz CTPGSNIAVTWDIX-UXHICEINSA-N 2 2 310.441 3.535 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000423494581 1027574671 /nfs/dbraw/zinc/57/46/71/1027574671.db2.gz AYLHCPGLPKHXGP-BEVDRBHNSA-N 2 2 312.457 3.615 20 0 DHADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)sc1Br ZINC000423572779 1027588560 /nfs/dbraw/zinc/58/85/60/1027588560.db2.gz YRRJYYOKZSKOMB-WDEREUQCSA-N 2 2 317.296 3.612 20 0 DHADLP C[C@H]1C[C@H]1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000576522474 1027626505 /nfs/dbraw/zinc/62/65/05/1027626505.db2.gz CVYDTWFXNIKULA-HOCLYGCPSA-N 2 2 303.837 3.695 20 0 DHADLP C[C@H]1C[C@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000576522474 1027626509 /nfs/dbraw/zinc/62/65/09/1027626509.db2.gz CVYDTWFXNIKULA-HOCLYGCPSA-N 2 2 303.837 3.695 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000363459112 1027640841 /nfs/dbraw/zinc/64/08/41/1027640841.db2.gz HIBUSHALLLWDAW-DOTOQJQBSA-N 2 2 313.445 3.839 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000363459112 1027640846 /nfs/dbraw/zinc/64/08/46/1027640846.db2.gz HIBUSHALLLWDAW-DOTOQJQBSA-N 2 2 313.445 3.839 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000363459112 1027640853 /nfs/dbraw/zinc/64/08/53/1027640853.db2.gz HIBUSHALLLWDAW-DOTOQJQBSA-N 2 2 313.445 3.839 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000363459112 1027640859 /nfs/dbraw/zinc/64/08/59/1027640859.db2.gz HIBUSHALLLWDAW-DOTOQJQBSA-N 2 2 313.445 3.839 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](c2ccccc2)C1 ZINC000576990355 1027689846 /nfs/dbraw/zinc/68/98/46/1027689846.db2.gz OSXBXXNCJJLGBU-DKIMLUQUSA-N 2 2 309.457 3.829 20 0 DHADLP FC(F)(F)c1sccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000527700456 1027834643 /nfs/dbraw/zinc/83/46/43/1027834643.db2.gz HZKAJPDNDJCCDA-UHFFFAOYSA-N 2 2 318.408 3.873 20 0 DHADLP c1ccc2c(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)ccnc2c1 ZINC000527753308 1027878738 /nfs/dbraw/zinc/87/87/38/1027878738.db2.gz UFTMQXBDIJOFLS-GOSISDBHSA-N 2 2 309.457 3.731 20 0 DHADLP c1ccc2c(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)ccnc2c1 ZINC000527753308 1027878759 /nfs/dbraw/zinc/87/87/59/1027878759.db2.gz UFTMQXBDIJOFLS-GOSISDBHSA-N 2 2 309.457 3.731 20 0 DHADLP c1ccc2nc(C[NH+]3CCC([NH2+]C4CCCC4)CC3)ccc2c1 ZINC000365416300 1027941987 /nfs/dbraw/zinc/94/19/87/1027941987.db2.gz HLLFOOUVVYSSPU-UHFFFAOYSA-N 2 2 309.457 3.731 20 0 DHADLP CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000563351311 1028010164 /nfs/dbraw/zinc/01/01/64/1028010164.db2.gz YSLNVHOWENRFEK-CYBMUJFWSA-N 2 2 319.836 3.841 20 0 DHADLP CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000563351311 1028010181 /nfs/dbraw/zinc/01/01/81/1028010181.db2.gz YSLNVHOWENRFEK-CYBMUJFWSA-N 2 2 319.836 3.841 20 0 DHADLP Fc1cccc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C2)c1 ZINC000528001192 1028024940 /nfs/dbraw/zinc/02/49/40/1028024940.db2.gz LVFIGEUSPUMURA-KVWWFHCMSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1cccc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C2)c1 ZINC000528001192 1028024953 /nfs/dbraw/zinc/02/49/53/1028024953.db2.gz LVFIGEUSPUMURA-KVWWFHCMSA-N 2 2 302.437 3.678 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000528007825 1028035649 /nfs/dbraw/zinc/03/56/49/1028035649.db2.gz CPEYFPLJSBQSTA-OXQOHEQNSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000528007825 1028035670 /nfs/dbraw/zinc/03/56/70/1028035670.db2.gz CPEYFPLJSBQSTA-OXQOHEQNSA-N 2 2 324.472 3.540 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1)CCC2 ZINC000366209496 1028062460 /nfs/dbraw/zinc/06/24/60/1028062460.db2.gz KUAGLAJPQGATSL-QWHCGFSZSA-N 2 2 305.372 3.698 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCOc3ccccc31)CCC2 ZINC000366207923 1028062846 /nfs/dbraw/zinc/06/28/46/1028062846.db2.gz FQVUTKXJTAUECZ-RDJZCZTQSA-N 2 2 311.429 3.572 20 0 DHADLP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000367088731 1028135935 /nfs/dbraw/zinc/13/59/35/1028135935.db2.gz XWVGLSLTQKZCFC-AEFFLSMTSA-N 2 2 322.518 3.507 20 0 DHADLP CO[C@@H](C[NH+]1CCC([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000367266460 1028155386 /nfs/dbraw/zinc/15/53/86/1028155386.db2.gz GVJDXORGKGATBA-SFHVURJKSA-N 2 2 322.880 3.588 20 0 DHADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc2ccccc21 ZINC000449018851 1028249020 /nfs/dbraw/zinc/24/90/20/1028249020.db2.gz URYDBMNVTHKSKT-KRWDZBQOSA-N 2 2 321.424 3.951 20 0 DHADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc2ccccc21 ZINC000449018851 1028249029 /nfs/dbraw/zinc/24/90/29/1028249029.db2.gz URYDBMNVTHKSKT-KRWDZBQOSA-N 2 2 321.424 3.951 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449060344 1028297933 /nfs/dbraw/zinc/29/79/33/1028297933.db2.gz CZKWXVSJQSMZRC-UHFFFAOYSA-N 2 2 319.449 3.523 20 0 DHADLP Fc1ccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)cc1 ZINC000368098249 1028300979 /nfs/dbraw/zinc/30/09/79/1028300979.db2.gz BDNPHHUUTDAWMV-QFBILLFUSA-N 2 2 313.420 3.927 20 0 DHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000368105391 1028302931 /nfs/dbraw/zinc/30/29/31/1028302931.db2.gz RFKYYEVMASRIJD-VXGBXAGGSA-N 2 2 321.371 3.528 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000368105389 1028305418 /nfs/dbraw/zinc/30/54/18/1028305418.db2.gz RFKYYEVMASRIJD-NWDGAFQWSA-N 2 2 321.371 3.528 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2OCC(C)C)CC1 ZINC000579058738 1028309457 /nfs/dbraw/zinc/30/94/57/1028309457.db2.gz BIUQLAMRRVWQCK-UHFFFAOYSA-N 2 2 304.478 3.638 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2OCC(C)C)CC1 ZINC000579058738 1028309476 /nfs/dbraw/zinc/30/94/76/1028309476.db2.gz BIUQLAMRRVWQCK-UHFFFAOYSA-N 2 2 304.478 3.638 20 0 DHADLP COc1cc2ccccc2cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000449071705 1028334454 /nfs/dbraw/zinc/33/44/54/1028334454.db2.gz OFIFRLTXBHINSA-UHFFFAOYSA-N 2 2 310.441 3.565 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000579186069 1028342450 /nfs/dbraw/zinc/34/24/50/1028342450.db2.gz IZKBRXUKYAMSSY-GJZGRUSLSA-N 2 2 301.459 3.507 20 0 DHADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000449107319 1028357397 /nfs/dbraw/zinc/35/73/97/1028357397.db2.gz PFBLZAOWHSMTTK-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000449107319 1028357412 /nfs/dbraw/zinc/35/74/12/1028357412.db2.gz PFBLZAOWHSMTTK-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP C[C@H](C[NH2+]CCCCNc1cccc[nH+]1)c1cc(F)cc(F)c1 ZINC000449120329 1028373151 /nfs/dbraw/zinc/37/31/51/1028373151.db2.gz CNZAJRGAVQFWRK-CQSZACIVSA-N 2 2 319.399 3.945 20 0 DHADLP CC[N@H+](C/C=C(\C)Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000528393106 1028377467 /nfs/dbraw/zinc/37/74/67/1028377467.db2.gz IOBGSGAGZNQZBC-VIZOYTHASA-N 2 2 307.869 3.763 20 0 DHADLP CC[N@@H+](C/C=C(\C)Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000528393106 1028377484 /nfs/dbraw/zinc/37/74/84/1028377484.db2.gz IOBGSGAGZNQZBC-VIZOYTHASA-N 2 2 307.869 3.763 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cccc(F)c1F)CCC2 ZINC000368593421 1028380560 /nfs/dbraw/zinc/38/05/60/1028380560.db2.gz PPVKSLRCXSYAGS-CHWSQXEVSA-N 2 2 305.372 3.698 20 0 DHADLP COCCC1(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)CCCCC1 ZINC000368721777 1028398858 /nfs/dbraw/zinc/39/88/58/1028398858.db2.gz KOPBHHCWOWLMAL-KRWDZBQOSA-N 2 2 319.493 3.646 20 0 DHADLP c1c(CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)[nH+]c2n1CCCC2 ZINC000368719075 1028399573 /nfs/dbraw/zinc/39/95/73/1028399573.db2.gz MQFQOFPIUQYZDG-RBUKOAKNSA-N 2 2 323.484 3.763 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCC3CCCC3)[C@H](C)C2)s1 ZINC000368972671 1028431343 /nfs/dbraw/zinc/43/13/43/1028431343.db2.gz HFURKXPSNCTCFE-KDOFPFPSSA-N 2 2 321.534 3.832 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCC3CCCC3)[C@H](C)C2)s1 ZINC000368972671 1028431346 /nfs/dbraw/zinc/43/13/46/1028431346.db2.gz HFURKXPSNCTCFE-KDOFPFPSSA-N 2 2 321.534 3.832 20 0 DHADLP c1cc(-c2ccccc2)sc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000579577552 1028442511 /nfs/dbraw/zinc/44/25/11/1028442511.db2.gz FCDRQGKIGNLFJX-CQSZACIVSA-N 2 2 309.438 3.785 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCC1 ZINC000449215947 1028460391 /nfs/dbraw/zinc/46/03/91/1028460391.db2.gz ZLGGQDKHVDMRES-BEFAXECRSA-N 2 2 301.478 3.775 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCC1 ZINC000449215949 1028460774 /nfs/dbraw/zinc/46/07/74/1028460774.db2.gz ZLGGQDKHVDMRES-HNAYVOBHSA-N 2 2 301.478 3.775 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000564530329 1028470550 /nfs/dbraw/zinc/47/05/50/1028470550.db2.gz DCDOQRCXBVLJHC-ZDUSSCGKSA-N 2 2 322.412 3.897 20 0 DHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ncccc2O)CC1 ZINC000449295409 1028517884 /nfs/dbraw/zinc/51/78/84/1028517884.db2.gz RXZDNHFYPPUJIO-UHFFFAOYSA-N 2 2 319.493 3.556 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000370629078 1028625288 /nfs/dbraw/zinc/62/52/88/1028625288.db2.gz NNTOZGGLFIUDQT-DOTOQJQBSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000370629078 1028625292 /nfs/dbraw/zinc/62/52/92/1028625292.db2.gz NNTOZGGLFIUDQT-DOTOQJQBSA-N 2 2 315.486 3.706 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000370629916 1028626157 /nfs/dbraw/zinc/62/61/57/1028626157.db2.gz RMVCNGXMQLKDLI-UYAOXDASSA-N 2 2 323.484 3.953 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000370629916 1028626168 /nfs/dbraw/zinc/62/61/68/1028626168.db2.gz RMVCNGXMQLKDLI-UYAOXDASSA-N 2 2 323.484 3.953 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000370629086 1028626273 /nfs/dbraw/zinc/62/62/73/1028626273.db2.gz NNTOZGGLFIUDQT-NVXWUHKLSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccsc1 ZINC000370629086 1028626278 /nfs/dbraw/zinc/62/62/78/1028626278.db2.gz NNTOZGGLFIUDQT-NVXWUHKLSA-N 2 2 315.486 3.706 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)o1 ZINC000370631038 1028626449 /nfs/dbraw/zinc/62/64/49/1028626449.db2.gz ZUHJURNZUYVKOU-FUHWJXTLSA-N 2 2 313.445 3.546 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)o1 ZINC000370631038 1028626457 /nfs/dbraw/zinc/62/64/57/1028626457.db2.gz ZUHJURNZUYVKOU-FUHWJXTLSA-N 2 2 313.445 3.546 20 0 DHADLP Cc1cccc2c1cc[nH+]c2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000566148456 1028682637 /nfs/dbraw/zinc/68/26/37/1028682637.db2.gz BUMXLOBYNNUHST-KRWDZBQOSA-N 2 2 309.457 3.998 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528722107 1028718136 /nfs/dbraw/zinc/71/81/36/1028718136.db2.gz WOPGUVXUEMZNBB-UHFFFAOYSA-N 2 2 323.362 3.659 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528722107 1028718151 /nfs/dbraw/zinc/71/81/51/1028718151.db2.gz WOPGUVXUEMZNBB-UHFFFAOYSA-N 2 2 323.362 3.659 20 0 DHADLP Cc1ccc([C@H](c2ccccn2)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000371477544 1028718389 /nfs/dbraw/zinc/71/83/89/1028718389.db2.gz MXHODGYINMKCGG-HXUWFJFHSA-N 2 2 320.440 3.698 20 0 DHADLP Cc1ccc([C@H](c2ccccn2)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000371477544 1028718402 /nfs/dbraw/zinc/71/84/02/1028718402.db2.gz MXHODGYINMKCGG-HXUWFJFHSA-N 2 2 320.440 3.698 20 0 DHADLP Cc1[nH+]cc(CNc2cccc(Cn3cc[nH+]c3C(C)C)c2)n1C ZINC000566496535 1028732366 /nfs/dbraw/zinc/73/23/66/1028732366.db2.gz JBPNESKHWZKUGK-UHFFFAOYSA-N 2 2 323.444 3.709 20 0 DHADLP C[C@@H](c1cccc(-c2ccncc2)c1)[N@H+](C)CCn1cc[nH+]c1 ZINC000371651827 1028741157 /nfs/dbraw/zinc/74/11/57/1028741157.db2.gz SWIJFQCDKVOBHS-INIZCTEOSA-N 2 2 306.413 3.638 20 0 DHADLP C[C@@H](c1cccc(-c2ccncc2)c1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000371651827 1028741171 /nfs/dbraw/zinc/74/11/71/1028741171.db2.gz SWIJFQCDKVOBHS-INIZCTEOSA-N 2 2 306.413 3.638 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccnc2Cl)[C@H]1c1ccccc1 ZINC000371721624 1028749353 /nfs/dbraw/zinc/74/93/53/1028749353.db2.gz AMBUPMYZHFUUCT-DOTOQJQBSA-N 2 2 315.848 3.518 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccnc2Cl)[C@H]1c1ccccc1 ZINC000371721624 1028749366 /nfs/dbraw/zinc/74/93/66/1028749366.db2.gz AMBUPMYZHFUUCT-DOTOQJQBSA-N 2 2 315.848 3.518 20 0 DHADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000371795965 1028759468 /nfs/dbraw/zinc/75/94/68/1028759468.db2.gz KBUDPNSBOXYCID-QUCCMNQESA-N 2 2 323.484 3.953 20 0 DHADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000371795965 1028759481 /nfs/dbraw/zinc/75/94/81/1028759481.db2.gz KBUDPNSBOXYCID-QUCCMNQESA-N 2 2 323.484 3.953 20 0 DHADLP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000371811760 1028761702 /nfs/dbraw/zinc/76/17/02/1028761702.db2.gz XJGZJICWKDJWBX-HOTGVXAUSA-N 2 2 322.518 3.507 20 0 DHADLP Clc1cc2c(s1)CC[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000566860672 1028792181 /nfs/dbraw/zinc/79/21/81/1028792181.db2.gz BTJZQYKBKYJPFN-UHFFFAOYSA-N 2 2 318.873 3.606 20 0 DHADLP Clc1cc2c(s1)CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000566860672 1028792192 /nfs/dbraw/zinc/79/21/92/1028792192.db2.gz BTJZQYKBKYJPFN-UHFFFAOYSA-N 2 2 318.873 3.606 20 0 DHADLP CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000528775720 1028798752 /nfs/dbraw/zinc/79/87/52/1028798752.db2.gz QOFNVZATZOHKCH-QGZVFWFLSA-N 2 2 301.409 3.680 20 0 DHADLP CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000528775720 1028798764 /nfs/dbraw/zinc/79/87/64/1028798764.db2.gz QOFNVZATZOHKCH-QGZVFWFLSA-N 2 2 301.409 3.680 20 0 DHADLP CCc1ncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000449607270 1028837016 /nfs/dbraw/zinc/83/70/16/1028837016.db2.gz ALJNYSGZPDPYTE-CYBMUJFWSA-N 2 2 310.401 3.582 20 0 DHADLP CCOc1cccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000372404321 1028849220 /nfs/dbraw/zinc/84/92/20/1028849220.db2.gz KZRYDAAMLUTBAS-UHFFFAOYSA-N 2 2 302.462 3.582 20 0 DHADLP COC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000567203425 1028857150 /nfs/dbraw/zinc/85/71/50/1028857150.db2.gz OKPFQXFKXBBZKU-DAWZGUTISA-N 2 2 322.880 3.634 20 0 DHADLP Cc1cncc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000372926064 1028919745 /nfs/dbraw/zinc/91/97/45/1028919745.db2.gz SDEOHSBACXSQKE-GHTZIAJQSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cncc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000372926064 1028919757 /nfs/dbraw/zinc/91/97/57/1028919757.db2.gz SDEOHSBACXSQKE-GHTZIAJQSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cncc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000372926064 1028919767 /nfs/dbraw/zinc/91/97/67/1028919767.db2.gz SDEOHSBACXSQKE-GHTZIAJQSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cncc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000372926064 1028919777 /nfs/dbraw/zinc/91/97/77/1028919777.db2.gz SDEOHSBACXSQKE-GHTZIAJQSA-N 2 2 323.484 3.732 20 0 DHADLP CC(C)CCc1ccc(NCc2ncc(C[NH+](C)C)s2)[nH+]c1 ZINC000449706731 1028928246 /nfs/dbraw/zinc/92/82/46/1028928246.db2.gz BMFXDDGTTVQVFQ-UHFFFAOYSA-N 2 2 318.490 3.800 20 0 DHADLP FC(F)(F)c1cccc(CC[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000628207810 1028938606 /nfs/dbraw/zinc/93/86/06/1028938606.db2.gz MAVTXQHZVSAUGX-UHFFFAOYSA-N 2 2 311.351 3.514 20 0 DHADLP Fc1ccc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000373202132 1028974248 /nfs/dbraw/zinc/97/42/48/1028974248.db2.gz LCQYLGSZQDRLOK-MRXNPFEDSA-N 2 2 301.409 3.682 20 0 DHADLP Fc1ccc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000373202132 1028974262 /nfs/dbraw/zinc/97/42/62/1028974262.db2.gz LCQYLGSZQDRLOK-MRXNPFEDSA-N 2 2 301.409 3.682 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc(F)cc3)CCCCC2)n1C ZINC000568269386 1029034449 /nfs/dbraw/zinc/03/44/49/1029034449.db2.gz JXQKAGQIYSVCFL-UHFFFAOYSA-N 2 2 315.436 3.859 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)cc(Cl)c1 ZINC000568334188 1029049534 /nfs/dbraw/zinc/04/95/34/1029049534.db2.gz SKKSYHZPICHPSG-ZANVPECISA-N 2 2 310.228 3.925 20 0 DHADLP C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000568380479 1029058655 /nfs/dbraw/zinc/05/86/55/1029058655.db2.gz MKWQIADWPQNEAO-CRAIPNDOSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000568380479 1029058674 /nfs/dbraw/zinc/05/86/74/1029058674.db2.gz MKWQIADWPQNEAO-CRAIPNDOSA-N 2 2 304.453 3.753 20 0 DHADLP CC1(C)CCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373486603 1029061645 /nfs/dbraw/zinc/06/16/45/1029061645.db2.gz SMLYSNGCOQIFQD-NRXISQOPSA-N 2 2 318.427 3.960 20 0 DHADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000568813998 1029129387 /nfs/dbraw/zinc/12/93/87/1029129387.db2.gz MXIUZYWUXPFPLP-UYJHFMRCSA-N 2 2 308.416 3.675 20 0 DHADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000568813998 1029129391 /nfs/dbraw/zinc/12/93/91/1029129391.db2.gz MXIUZYWUXPFPLP-UYJHFMRCSA-N 2 2 308.416 3.675 20 0 DHADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000569035211 1029164818 /nfs/dbraw/zinc/16/48/18/1029164818.db2.gz QGVHVTMQGAFWMB-QZTJIDSGSA-N 2 2 311.473 3.888 20 0 DHADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC000374063621 1029196466 /nfs/dbraw/zinc/19/64/66/1029196466.db2.gz GEDJNQZLGLUFIP-NRFANRHFSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc1 ZINC000374063621 1029196482 /nfs/dbraw/zinc/19/64/82/1029196482.db2.gz GEDJNQZLGLUFIP-NRFANRHFSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC000374063621 1029196490 /nfs/dbraw/zinc/19/64/90/1029196490.db2.gz GEDJNQZLGLUFIP-NRFANRHFSA-N 2 2 321.468 3.570 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccn4)C3)C2)cc1 ZINC000374063621 1029196493 /nfs/dbraw/zinc/19/64/93/1029196493.db2.gz GEDJNQZLGLUFIP-NRFANRHFSA-N 2 2 321.468 3.570 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccncc1Cl ZINC000817575245 1029205120 /nfs/dbraw/zinc/20/51/20/1029205120.db2.gz GOORSYJDJACLHF-IUODEOHRSA-N 2 2 306.841 3.697 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000374271693 1029264849 /nfs/dbraw/zinc/26/48/49/1029264849.db2.gz OPILTXLKCNDCGV-KRWDZBQOSA-N 2 2 323.444 3.720 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000374271693 1029264857 /nfs/dbraw/zinc/26/48/57/1029264857.db2.gz OPILTXLKCNDCGV-KRWDZBQOSA-N 2 2 323.444 3.720 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817924194 1029274521 /nfs/dbraw/zinc/27/45/21/1029274521.db2.gz GGYMOHZDQVTMCD-MAODMQOUSA-N 2 2 324.468 3.507 20 0 DHADLP CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)CCC2 ZINC000817923264 1029275098 /nfs/dbraw/zinc/27/50/98/1029275098.db2.gz VKILAAZDKIUIMM-NXHRZFHOSA-N 2 2 318.509 3.742 20 0 DHADLP C[C@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817924192 1029276015 /nfs/dbraw/zinc/27/60/15/1029276015.db2.gz GGYMOHZDQVTMCD-DQLDELGASA-N 2 2 324.468 3.507 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000817953567 1029295584 /nfs/dbraw/zinc/29/55/84/1029295584.db2.gz OLSGRZWKCLPLDU-HNNXBMFYSA-N 2 2 312.429 3.720 20 0 DHADLP CC(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cn1 ZINC000779395483 1029304650 /nfs/dbraw/zinc/30/46/50/1029304650.db2.gz QXQNLHYRLQCINQ-LJQANCHMSA-N 2 2 324.403 3.893 20 0 DHADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(SC(F)F)cc1 ZINC000817966986 1029306389 /nfs/dbraw/zinc/30/63/89/1029306389.db2.gz BCXQNWCIXNKJMK-MJVIPROJSA-N 2 2 300.418 3.650 20 0 DHADLP COc1ccc([C@@H]([NH2+]C[C@@H](C)[NH3+])c2ccc(Cl)cc2)cc1C ZINC000817972353 1029310733 /nfs/dbraw/zinc/31/07/33/1029310733.db2.gz LHLUQPMFCJFNDD-ACJLOTCBSA-N 2 2 318.848 3.683 20 0 DHADLP Cc1cc(Cl)nc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000374358986 1029311385 /nfs/dbraw/zinc/31/13/85/1029311385.db2.gz HAUAYYMLCMRCNP-UHFFFAOYSA-N 2 2 307.869 3.540 20 0 DHADLP Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cnn1C(C)C ZINC000191218816 1029323035 /nfs/dbraw/zinc/32/30/35/1029323035.db2.gz IFLOWTBEDPGISU-HNNXBMFYSA-N 2 2 323.444 3.809 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)CCC2 ZINC000374430643 1029335815 /nfs/dbraw/zinc/33/58/15/1029335815.db2.gz UADCROJDWIXPKY-GFCCVEGCSA-N 2 2 307.800 3.651 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000629539354 1029362091 /nfs/dbraw/zinc/36/20/91/1029362091.db2.gz OGVWZAGKGYHDDS-BZPMIXESSA-N 2 2 314.445 3.835 20 0 DHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629549434 1029365218 /nfs/dbraw/zinc/36/52/18/1029365218.db2.gz VOJRNNIZLHBZFU-YZVOILCLSA-N 2 2 310.441 3.763 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC(F)(F)C1 ZINC000529539913 1029381475 /nfs/dbraw/zinc/38/14/75/1029381475.db2.gz BVOUVRAXLBPLPM-KBPBESRZSA-N 2 2 323.431 3.630 20 0 DHADLP C[C@@H]1C[C@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)CC[N@@H+]1C ZINC000450351874 1029406305 /nfs/dbraw/zinc/40/63/05/1029406305.db2.gz AJTOCPKSKRPTNW-GHMZBOCLSA-N 2 2 307.800 3.922 20 0 DHADLP C[C@@H]1C[C@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)CC[N@H+]1C ZINC000450351874 1029406311 /nfs/dbraw/zinc/40/63/11/1029406311.db2.gz AJTOCPKSKRPTNW-GHMZBOCLSA-N 2 2 307.800 3.922 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000629657403 1029408705 /nfs/dbraw/zinc/40/87/05/1029408705.db2.gz XMSQMCMFTQWNNG-STQMWFEESA-N 2 2 320.786 3.608 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000629657403 1029408719 /nfs/dbraw/zinc/40/87/19/1029408719.db2.gz XMSQMCMFTQWNNG-STQMWFEESA-N 2 2 320.786 3.608 20 0 DHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170910515 1029412899 /nfs/dbraw/zinc/41/28/99/1029412899.db2.gz JQQOZCLVYBFZKL-CVEARBPZSA-N 2 2 306.881 3.517 20 0 DHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170910515 1029412901 /nfs/dbraw/zinc/41/29/01/1029412901.db2.gz JQQOZCLVYBFZKL-CVEARBPZSA-N 2 2 306.881 3.517 20 0 DHADLP Cc1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)ccn1 ZINC000529568299 1029427971 /nfs/dbraw/zinc/42/79/71/1029427971.db2.gz WWGVYTYJAVSSFN-PMACEKPBSA-N 2 2 318.424 3.605 20 0 DHADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000450673348 1029616662 /nfs/dbraw/zinc/61/66/62/1029616662.db2.gz PBTVMMPVLRLXDE-ZCNNSNEGSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000450673348 1029616666 /nfs/dbraw/zinc/61/66/66/1029616666.db2.gz PBTVMMPVLRLXDE-ZCNNSNEGSA-N 2 2 316.489 3.617 20 0 DHADLP C[N@H+](C1CC1)C1CC[NH+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170945712 1029711561 /nfs/dbraw/zinc/71/15/61/1029711561.db2.gz WXECENRBWSKBHN-KRWDZBQOSA-N 2 2 318.892 3.756 20 0 DHADLP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170945712 1029711571 /nfs/dbraw/zinc/71/15/71/1029711571.db2.gz WXECENRBWSKBHN-KRWDZBQOSA-N 2 2 318.892 3.756 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000530477264 1029859342 /nfs/dbraw/zinc/85/93/42/1029859342.db2.gz WRYNWBAGKSECAX-GTPINHCMSA-N 2 2 302.462 3.671 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416087 1030042135 /nfs/dbraw/zinc/04/21/35/1030042135.db2.gz KIGWRBYRLVZDTF-ABAIWWIYSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416087 1030042148 /nfs/dbraw/zinc/04/21/48/1030042148.db2.gz KIGWRBYRLVZDTF-ABAIWWIYSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416087 1030042161 /nfs/dbraw/zinc/04/21/61/1030042161.db2.gz KIGWRBYRLVZDTF-ABAIWWIYSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416087 1030042180 /nfs/dbraw/zinc/04/21/80/1030042180.db2.gz KIGWRBYRLVZDTF-ABAIWWIYSA-N 2 2 318.358 3.617 20 0 DHADLP Fc1cccc(F)c1CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000451961848 1030067498 /nfs/dbraw/zinc/06/74/98/1030067498.db2.gz UQTJGKDQAPTBQA-UHFFFAOYSA-N 2 2 319.399 3.506 20 0 DHADLP Cc1ccc([C@H]([NH2+]CC(C)(C)C[NH+](C)C)c2cccnc2)cc1 ZINC000924524782 1030112893 /nfs/dbraw/zinc/11/28/93/1030112893.db2.gz CFHIOLVQTGEDNI-IBGZPJMESA-N 2 2 311.473 3.657 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(-c2ccccc2)no1 ZINC000924696426 1030162212 /nfs/dbraw/zinc/16/22/12/1030162212.db2.gz GDPSUFSNLKWTAU-XIRDDKMYSA-N 2 2 311.429 3.619 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(-c2ccccc2)no1 ZINC000924696426 1030162219 /nfs/dbraw/zinc/16/22/19/1030162219.db2.gz GDPSUFSNLKWTAU-XIRDDKMYSA-N 2 2 311.429 3.619 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cnn(C2CCC2)c1 ZINC000924771471 1030185790 /nfs/dbraw/zinc/18/57/90/1030185790.db2.gz YIJMMKMYYWAHBV-OAHLLOKOSA-N 2 2 321.428 3.645 20 0 DHADLP c1ccc(C[C@H]2CCC[C@H]2[NH2+]CCCCNc2cccc[nH+]2)nc1 ZINC000924928439 1030226736 /nfs/dbraw/zinc/22/67/36/1030226736.db2.gz VZVJCKKPZRUUGO-IEBWSBKVSA-N 2 2 324.472 3.670 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000245988714 1030232579 /nfs/dbraw/zinc/23/25/79/1030232579.db2.gz CUBJYTQYUWCFIA-HUUCEWRRSA-N 2 2 318.358 3.893 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000245988714 1030232594 /nfs/dbraw/zinc/23/25/94/1030232594.db2.gz CUBJYTQYUWCFIA-HUUCEWRRSA-N 2 2 318.358 3.893 20 0 DHADLP CC1CC[NH+](CC[NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171012309 1030244772 /nfs/dbraw/zinc/24/47/72/1030244772.db2.gz ONQPNZALZHTXSV-MRXNPFEDSA-N 2 2 306.881 3.519 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)s1 ZINC000557679763 1030244689 /nfs/dbraw/zinc/24/46/89/1030244689.db2.gz NRNJZYNHPLZOAS-UHFFFAOYSA-N 2 2 311.454 3.900 20 0 DHADLP CCc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000925012371 1030247068 /nfs/dbraw/zinc/24/70/68/1030247068.db2.gz UYTSCBPASBYRLA-NQIIRXRSSA-N 2 2 323.484 3.665 20 0 DHADLP CCc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000925012371 1030247079 /nfs/dbraw/zinc/24/70/79/1030247079.db2.gz UYTSCBPASBYRLA-NQIIRXRSSA-N 2 2 323.484 3.665 20 0 DHADLP Cc1cc(C)cc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2cccnc2)c1 ZINC000925011767 1030247110 /nfs/dbraw/zinc/24/71/10/1030247110.db2.gz RGSLMLLEHRSIBH-NQIIRXRSSA-N 2 2 323.484 3.719 20 0 DHADLP Cc1cc(C)cc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2cccnc2)c1 ZINC000925011767 1030247121 /nfs/dbraw/zinc/24/71/21/1030247121.db2.gz RGSLMLLEHRSIBH-NQIIRXRSSA-N 2 2 323.484 3.719 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccccc1 ZINC000925057067 1030258890 /nfs/dbraw/zinc/25/88/90/1030258890.db2.gz AWYXLNHCZQNZAH-LBLBDHKGSA-N 2 2 316.489 3.663 20 0 DHADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000925057328 1030259552 /nfs/dbraw/zinc/25/95/52/1030259552.db2.gz FXGCATIEZRSJQH-WDSOQIARSA-N 2 2 318.505 3.767 20 0 DHADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000246063325 1030273918 /nfs/dbraw/zinc/27/39/18/1030273918.db2.gz ZIYLITXWZFBJHQ-NLWGTHIKSA-N 2 2 309.457 3.633 20 0 DHADLP CCc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2cccnc2)cc1 ZINC000925138130 1030283019 /nfs/dbraw/zinc/28/30/19/1030283019.db2.gz BSYNUCWMDBYILF-HBGVWJBISA-N 2 2 323.484 3.806 20 0 DHADLP CCc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cccnc2)cc1 ZINC000925138130 1030283034 /nfs/dbraw/zinc/28/30/34/1030283034.db2.gz BSYNUCWMDBYILF-HBGVWJBISA-N 2 2 323.484 3.806 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)cc2)c[nH+]1 ZINC000246081567 1030284339 /nfs/dbraw/zinc/28/43/39/1030284339.db2.gz FNOXTWIXWYXGID-QZTJIDSGSA-N 2 2 313.470 3.732 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)cc2)c[nH+]1 ZINC000246081567 1030284344 /nfs/dbraw/zinc/28/43/44/1030284344.db2.gz FNOXTWIXWYXGID-QZTJIDSGSA-N 2 2 313.470 3.732 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cc(-c2ccccc2)no1 ZINC000925170677 1030291923 /nfs/dbraw/zinc/29/19/23/1030291923.db2.gz MZMDOYHLKUMOIG-GDBMZVCRSA-N 2 2 322.412 3.766 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cc(-c2ccccc2)no1 ZINC000925170683 1030292403 /nfs/dbraw/zinc/29/24/03/1030292403.db2.gz MZMDOYHLKUMOIG-ZBFHGGJFSA-N 2 2 322.412 3.766 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866478962 1030315355 /nfs/dbraw/zinc/31/53/55/1030315355.db2.gz NIJSDLBTGPBSRR-WMLDXEAASA-N 2 2 301.459 3.809 20 0 DHADLP C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[NH+]1CCCCC1 ZINC000823684173 1030360818 /nfs/dbraw/zinc/36/08/18/1030360818.db2.gz SPMKJWCTSLTRKR-LRYGQEGESA-N 2 2 308.510 3.721 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC[N@@H+]1C ZINC000866576489 1030384819 /nfs/dbraw/zinc/38/48/19/1030384819.db2.gz GJBWDLRIGHTOFY-BXKDBHETSA-N 2 2 305.224 3.705 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2F)CC[N@H+]1C ZINC000866576489 1030384836 /nfs/dbraw/zinc/38/48/36/1030384836.db2.gz GJBWDLRIGHTOFY-BXKDBHETSA-N 2 2 305.224 3.705 20 0 DHADLP CC(C)c1csc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925562403 1030403720 /nfs/dbraw/zinc/40/37/20/1030403720.db2.gz WHOMNBXZYRHURS-HUUCEWRRSA-N 2 2 307.507 3.524 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925594167 1030414599 /nfs/dbraw/zinc/41/45/99/1030414599.db2.gz PBOVWQLWNMXCDN-YTXYEVPYSA-N 2 2 311.473 3.551 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccncc2)c(C)c1 ZINC000358341262 1030445834 /nfs/dbraw/zinc/44/58/34/1030445834.db2.gz AIYCMZXXMYLSSB-FXAWDEMLSA-N 2 2 320.440 3.987 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Oc2cccnc2)cc1 ZINC000925669496 1030447766 /nfs/dbraw/zinc/44/77/66/1030447766.db2.gz UNKSHTWKFFKTAU-HNAYVOBHSA-N 2 2 323.440 3.809 20 0 DHADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1nsc2ccccc12)c1ccccc1 ZINC000925716378 1030462767 /nfs/dbraw/zinc/46/27/67/1030462767.db2.gz PFFPMNYYKXWKIH-FZKQIMNGSA-N 2 2 311.454 3.517 20 0 DHADLP FC(F)(F)Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925719853 1030463269 /nfs/dbraw/zinc/46/32/69/1030463269.db2.gz VDSRFNDCUSFVGB-OAHLLOKOSA-N 2 2 312.379 3.556 20 0 DHADLP CC1(C)C[C@@H]([NH2+]C2(c3ccccc3Br)CC2)CC[NH2+]1 ZINC001246301301 1030472052 /nfs/dbraw/zinc/47/20/52/1030472052.db2.gz RCDLNNUFYVQUCA-LBPRGKRZSA-N 2 2 323.278 3.558 20 0 DHADLP COc1ccc(C2CC2)cc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925738156 1030472181 /nfs/dbraw/zinc/47/21/81/1030472181.db2.gz WAXTZPNNWYZJCY-RBUKOAKNSA-N 2 2 308.425 3.807 20 0 DHADLP CCCC[C@H](c1ccccc1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749669 1030477467 /nfs/dbraw/zinc/47/74/67/1030477467.db2.gz YMLCMEDYCDAOQZ-MRXNPFEDSA-N 2 2 315.486 3.891 20 0 DHADLP CCCC[C@H](c1ccccc1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749669 1030477474 /nfs/dbraw/zinc/47/74/74/1030477474.db2.gz YMLCMEDYCDAOQZ-MRXNPFEDSA-N 2 2 315.486 3.891 20 0 DHADLP CCC1([NH3+])CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000925756849 1030483159 /nfs/dbraw/zinc/48/31/59/1030483159.db2.gz AZFQBFZOAKQTTI-SFHVURJKSA-N 2 2 313.420 3.513 20 0 DHADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000925786954 1030497895 /nfs/dbraw/zinc/49/78/95/1030497895.db2.gz YDZUDDWMNUUGKJ-CYBMUJFWSA-N 2 2 314.379 3.591 20 0 DHADLP CC(C)C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925796963 1030500341 /nfs/dbraw/zinc/50/03/41/1030500341.db2.gz NIQIQAPRKMCPLI-RTBURBONSA-N 2 2 316.489 3.522 20 0 DHADLP c1ccc([C@@H]2C[C@H]([NH2+]Cc3nccc4c3CCCC4)CC[NH2+]2)cc1 ZINC000925808152 1030506196 /nfs/dbraw/zinc/50/61/96/1030506196.db2.gz YRVHQDQGTYRQAE-QUCCMNQESA-N 2 2 321.468 3.543 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000358488885 1030511142 /nfs/dbraw/zinc/51/11/42/1030511142.db2.gz BJBOLLYZPVDLKE-INIZCTEOSA-N 2 2 321.424 3.737 20 0 DHADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000925877693 1030532652 /nfs/dbraw/zinc/53/26/52/1030532652.db2.gz MCSGVHGZUUZSJS-RMJJICAUSA-N 2 2 308.425 3.721 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc2c(cccc2Cl)[nH]1 ZINC001136861291 1030532944 /nfs/dbraw/zinc/53/29/44/1030532944.db2.gz VLJYBHDXCVTBBN-UHFFFAOYSA-N 2 2 305.853 3.739 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c(cccc2Cl)[nH]1 ZINC001136861291 1030532951 /nfs/dbraw/zinc/53/29/51/1030532951.db2.gz VLJYBHDXCVTBBN-UHFFFAOYSA-N 2 2 305.853 3.739 20 0 DHADLP Cc1ccc2c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4C)C3)c[nH]c2c1 ZINC001136976513 1030693810 /nfs/dbraw/zinc/69/38/10/1030693810.db2.gz DJCUOVOLQKILSG-QGZVFWFLSA-N 2 2 321.424 3.833 20 0 DHADLP Cc1ccc2c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4C)C3)c[nH]c2c1 ZINC001136976513 1030693819 /nfs/dbraw/zinc/69/38/19/1030693819.db2.gz DJCUOVOLQKILSG-QGZVFWFLSA-N 2 2 321.424 3.833 20 0 DHADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)n1 ZINC000248563346 1030740423 /nfs/dbraw/zinc/74/04/23/1030740423.db2.gz NVPBRCMJWVUHFX-IEBWSBKVSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)n1 ZINC000248563346 1030740434 /nfs/dbraw/zinc/74/04/34/1030740434.db2.gz NVPBRCMJWVUHFX-IEBWSBKVSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)n1 ZINC000248563346 1030740446 /nfs/dbraw/zinc/74/04/46/1030740446.db2.gz NVPBRCMJWVUHFX-IEBWSBKVSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)n1 ZINC000248563346 1030740461 /nfs/dbraw/zinc/74/04/61/1030740461.db2.gz NVPBRCMJWVUHFX-IEBWSBKVSA-N 2 2 315.505 3.785 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000926449341 1030744966 /nfs/dbraw/zinc/74/49/66/1030744966.db2.gz FDLRXZWIQVZDNC-LPHOPBHVSA-N 2 2 321.424 3.742 20 0 DHADLP C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359084945 1030770453 /nfs/dbraw/zinc/77/04/53/1030770453.db2.gz SHCGMIYKGLQSPJ-DOTOQJQBSA-N 2 2 315.461 3.710 20 0 DHADLP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926643393 1030837342 /nfs/dbraw/zinc/83/73/42/1030837342.db2.gz RVOGVTTWFNHKFC-BARDWOONSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926643393 1030837364 /nfs/dbraw/zinc/83/73/64/1030837364.db2.gz RVOGVTTWFNHKFC-BARDWOONSA-N 2 2 304.400 3.714 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926755707 1030905421 /nfs/dbraw/zinc/90/54/21/1030905421.db2.gz ZOJKNOAFLFUVEM-HZPDHXFCSA-N 2 2 313.445 3.724 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(-c2ccccc2)no1 ZINC000926755707 1030905434 /nfs/dbraw/zinc/90/54/34/1030905434.db2.gz ZOJKNOAFLFUVEM-HZPDHXFCSA-N 2 2 313.445 3.724 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000161602355 1030930571 /nfs/dbraw/zinc/93/05/71/1030930571.db2.gz YVDBRZIEGWUVJC-QGZVFWFLSA-N 2 2 306.425 3.503 20 0 DHADLP C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1cccc(C[NH+](C)C)c1 ZINC000926828341 1030946277 /nfs/dbraw/zinc/94/62/77/1030946277.db2.gz GCXCEBVXUJTHJB-LLVKDONJSA-N 2 2 309.866 3.709 20 0 DHADLP c1cn(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)c2ccccc2)c[nH+]1 ZINC000926862134 1030959800 /nfs/dbraw/zinc/95/98/00/1030959800.db2.gz FGTHEHWWNGBJBX-HQSKLWIPSA-N 2 2 313.470 3.641 20 0 DHADLP FC1(F)[C@@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@@H]1c1ccccc1 ZINC000926977684 1031025821 /nfs/dbraw/zinc/02/58/21/1031025821.db2.gz PCMDJOHPJVOAEE-MLHJIOFPSA-N 2 2 320.427 3.642 20 0 DHADLP FC1(F)[C@@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@@H]1c1ccccc1 ZINC000926977684 1031025827 /nfs/dbraw/zinc/02/58/27/1031025827.db2.gz PCMDJOHPJVOAEE-MLHJIOFPSA-N 2 2 320.427 3.642 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927032320 1031042631 /nfs/dbraw/zinc/04/26/31/1031042631.db2.gz ZPYGFURGFWZTNI-IIAWOOMASA-N 2 2 301.459 3.807 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000359603311 1031057770 /nfs/dbraw/zinc/05/77/70/1031057770.db2.gz VNILXJNCVIVSEY-XJKSGUPXSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000359603311 1031057781 /nfs/dbraw/zinc/05/77/81/1031057781.db2.gz VNILXJNCVIVSEY-XJKSGUPXSA-N 2 2 308.853 3.628 20 0 DHADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000261784002 1031063326 /nfs/dbraw/zinc/06/33/26/1031063326.db2.gz FRFBHTQUVAAMQS-ONGXEEELSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000261784002 1031063338 /nfs/dbraw/zinc/06/33/38/1031063338.db2.gz FRFBHTQUVAAMQS-ONGXEEELSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H](C[NH+]1CCC([NH2+]CC2CC2)CC1)c1cccc(Cl)c1 ZINC000261801985 1031067851 /nfs/dbraw/zinc/06/78/51/1031067851.db2.gz GZLXXECEDLVISD-AWEZNQCLSA-N 2 2 306.881 3.908 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cn1 ZINC000359679007 1031091984 /nfs/dbraw/zinc/09/19/84/1031091984.db2.gz QRSMTOPAMHCVET-CYBMUJFWSA-N 2 2 312.804 3.772 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1F)CCC2 ZINC000359952564 1031215043 /nfs/dbraw/zinc/21/50/43/1031215043.db2.gz NSFGTHMRVKJDKK-OLZOCXBDSA-N 2 2 305.372 3.698 20 0 DHADLP CC[C@H](C[NH2+][C@H]1CCCOc2ccc(C)cc21)[NH+]1CCCC1 ZINC000360056207 1031258719 /nfs/dbraw/zinc/25/87/19/1031258719.db2.gz RKCLGXSDLRTSLR-AEFFLSMTSA-N 2 2 302.462 3.673 20 0 DHADLP Cc1c(O)cccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001144121366 1031260754 /nfs/dbraw/zinc/26/07/54/1031260754.db2.gz JSVBUZKTYUQTTF-UHFFFAOYSA-N 2 2 307.397 3.518 20 0 DHADLP Cc1c(O)cccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001144121366 1031260762 /nfs/dbraw/zinc/26/07/62/1031260762.db2.gz JSVBUZKTYUQTTF-UHFFFAOYSA-N 2 2 307.397 3.518 20 0 DHADLP CC[C@@H](C[NH2+][C@H]1CCCOc2cc(C)ccc21)[NH+]1CCCC1 ZINC000360079914 1031265958 /nfs/dbraw/zinc/26/59/58/1031265958.db2.gz VAJDGEVCYXYWHU-WMZOPIPTSA-N 2 2 302.462 3.673 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(O)c1F ZINC000872040805 1031425861 /nfs/dbraw/zinc/42/58/61/1031425861.db2.gz NIPLDCNSQCAYCU-AWEZNQCLSA-N 2 2 320.452 3.979 20 0 DHADLP Cc1sccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000293386282 1031452320 /nfs/dbraw/zinc/45/23/20/1031452320.db2.gz WNYLVDVNXXFQTR-CQSZACIVSA-N 2 2 315.486 3.767 20 0 DHADLP CC(C)COc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000537195995 1031529077 /nfs/dbraw/zinc/52/90/77/1031529077.db2.gz KNYXIIUWAOLSJO-UHFFFAOYSA-N 2 2 304.478 3.684 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)co2)cc1 ZINC000872251101 1031559900 /nfs/dbraw/zinc/55/99/00/1031559900.db2.gz GICFJUGYDOQNOZ-INIZCTEOSA-N 2 2 313.445 3.518 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)[C@@H]1C ZINC000360873503 1031595771 /nfs/dbraw/zinc/59/57/71/1031595771.db2.gz PZPFSFZDOURDMM-ZHALLVOQSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000325437655 1031610619 /nfs/dbraw/zinc/61/06/19/1031610619.db2.gz TYBKICPCVNLQGX-DYESRHJHSA-N 2 2 324.468 3.750 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000325437660 1031610888 /nfs/dbraw/zinc/61/08/88/1031610888.db2.gz TYBKICPCVNLQGX-UTKZUKDTSA-N 2 2 324.468 3.750 20 0 DHADLP c1cn(CCCC2CCN(c3cc[nH+]cc3C3CC3)CC2)c[nH+]1 ZINC000872507061 1031620358 /nfs/dbraw/zinc/62/03/58/1031620358.db2.gz MPZUYAYOOHORHW-UHFFFAOYSA-N 2 2 310.445 3.852 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCc1ccsc1)CCC2 ZINC000360966985 1031649409 /nfs/dbraw/zinc/64/94/09/1031649409.db2.gz SXVMNJABPKAVBY-BBRMVZONSA-N 2 2 303.475 3.741 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000293864218 1031664319 /nfs/dbraw/zinc/66/43/19/1031664319.db2.gz SDQIZOQQIULRCD-MRXNPFEDSA-N 2 2 312.461 3.870 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000293864218 1031664329 /nfs/dbraw/zinc/66/43/29/1031664329.db2.gz SDQIZOQQIULRCD-MRXNPFEDSA-N 2 2 312.461 3.870 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2ncccc12 ZINC000873022119 1031694261 /nfs/dbraw/zinc/69/42/61/1031694261.db2.gz QXVHDIQUXZSXQJ-GOSISDBHSA-N 2 2 308.429 3.636 20 0 DHADLP Cc1nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)sc1C ZINC000361054509 1031698782 /nfs/dbraw/zinc/69/87/82/1031698782.db2.gz CDZPKRLEHIWDBM-UHFFFAOYSA-N 2 2 318.490 3.649 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000873222577 1031764280 /nfs/dbraw/zinc/76/42/80/1031764280.db2.gz AHWWWLITJXTAIY-AYBZRNKSSA-N 2 2 310.441 3.839 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000361246921 1031813496 /nfs/dbraw/zinc/81/34/96/1031813496.db2.gz TZNJWTGOKSANGD-NXHRZFHOSA-N 2 2 303.494 3.706 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000361246921 1031813506 /nfs/dbraw/zinc/81/35/06/1031813506.db2.gz TZNJWTGOKSANGD-NXHRZFHOSA-N 2 2 303.494 3.706 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3(C4CCC4)CC3)CC2)cc1 ZINC000846074015 1031849097 /nfs/dbraw/zinc/84/90/97/1031849097.db2.gz VNZICOHYIPOWJN-UHFFFAOYSA-N 2 2 313.489 3.644 20 0 DHADLP C[C@H](C[NH+]1CCC([NH2+]C2CCC2)CC1)c1cc(F)cc(F)c1 ZINC000897982337 1031909724 /nfs/dbraw/zinc/90/97/24/1031909724.db2.gz KGADHVDZRPUENS-CYBMUJFWSA-N 2 2 308.416 3.675 20 0 DHADLP CCCC(CCC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000537486800 1031946976 /nfs/dbraw/zinc/94/69/76/1031946976.db2.gz QGAOFNZVQUYJBR-UHFFFAOYSA-N 2 2 318.509 3.993 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)COC2 ZINC000361496903 1031956714 /nfs/dbraw/zinc/95/67/14/1031956714.db2.gz NMZKNMYXYOZBDY-OAHLLOKOSA-N 2 2 319.408 3.753 20 0 DHADLP CCCC[N@H+](Cc1nccc(C)n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033308 1032016639 /nfs/dbraw/zinc/01/66/39/1032016639.db2.gz HAHATDIZZXPZCD-UHFFFAOYSA-N 2 2 318.509 3.696 20 0 DHADLP CCCC[N@@H+](Cc1nccc(C)n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033308 1032016654 /nfs/dbraw/zinc/01/66/54/1032016654.db2.gz HAHATDIZZXPZCD-UHFFFAOYSA-N 2 2 318.509 3.696 20 0 DHADLP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CC[C@@H](C)C1 ZINC000361629596 1032023225 /nfs/dbraw/zinc/02/32/25/1032023225.db2.gz LGPCBPOCGSDVNI-CABCVRRESA-N 2 2 319.474 3.571 20 0 DHADLP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CC[C@@H](C)C1 ZINC000361629596 1032023240 /nfs/dbraw/zinc/02/32/40/1032023240.db2.gz LGPCBPOCGSDVNI-CABCVRRESA-N 2 2 319.474 3.571 20 0 DHADLP CC[N@H+](CC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073185 1032043738 /nfs/dbraw/zinc/04/37/38/1032043738.db2.gz HBJJXLDAILSSOE-UHFFFAOYSA-N 2 2 318.509 3.855 20 0 DHADLP CC[N@@H+](CC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073185 1032043750 /nfs/dbraw/zinc/04/37/50/1032043750.db2.gz HBJJXLDAILSSOE-UHFFFAOYSA-N 2 2 318.509 3.855 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2sccc2C1 ZINC000361689493 1032056785 /nfs/dbraw/zinc/05/67/85/1032056785.db2.gz MIPMQTSZLJGRBF-UHFFFAOYSA-N 2 2 309.438 3.801 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2sccc2C1 ZINC000361689493 1032056803 /nfs/dbraw/zinc/05/68/03/1032056803.db2.gz MIPMQTSZLJGRBF-UHFFFAOYSA-N 2 2 309.438 3.801 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927033246 1033373092 /nfs/dbraw/zinc/37/30/92/1033373092.db2.gz SGBLFOQMPNAEQT-IIAWOOMASA-N 2 2 301.459 3.807 20 0 DHADLP Cc1[nH+]c2c(n1C1CCC(Cc3ccccc3)CC1)CC[NH2+]CC2 ZINC001172823591 1033387263 /nfs/dbraw/zinc/38/72/63/1033387263.db2.gz XJDLCPPIGIIWIV-UHFFFAOYSA-N 2 2 323.484 3.854 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](Oc3cc[nH+]cc3C)C1)CC2 ZINC001172837150 1033399009 /nfs/dbraw/zinc/39/90/09/1033399009.db2.gz FJMVPVPFEOJOLA-WOJBJXKFSA-N 2 2 322.452 3.709 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](Oc3cc[nH+]cc3C)C1)CC2 ZINC001172837150 1033399020 /nfs/dbraw/zinc/39/90/20/1033399020.db2.gz FJMVPVPFEOJOLA-WOJBJXKFSA-N 2 2 322.452 3.709 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H](Oc3cc[nH+]cc3C)C1)CC2 ZINC001172837147 1033399999 /nfs/dbraw/zinc/39/99/99/1033399999.db2.gz FJMVPVPFEOJOLA-PMACEKPBSA-N 2 2 322.452 3.709 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H](Oc3cc[nH+]cc3C)C1)CC2 ZINC001172837147 1033400007 /nfs/dbraw/zinc/40/00/07/1033400007.db2.gz FJMVPVPFEOJOLA-PMACEKPBSA-N 2 2 322.452 3.709 20 0 DHADLP CCC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172861032 1033433370 /nfs/dbraw/zinc/43/33/70/1033433370.db2.gz IRPGUAPICAQTMJ-KFWWJZLASA-N 2 2 324.871 3.684 20 0 DHADLP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172861032 1033433376 /nfs/dbraw/zinc/43/33/76/1033433376.db2.gz IRPGUAPICAQTMJ-KFWWJZLASA-N 2 2 324.871 3.684 20 0 DHADLP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172861032 1033433383 /nfs/dbraw/zinc/43/33/83/1033433383.db2.gz IRPGUAPICAQTMJ-KFWWJZLASA-N 2 2 324.871 3.684 20 0 DHADLP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3c(F)cccc3Cl)C[C@@H]2C1 ZINC001172861032 1033433389 /nfs/dbraw/zinc/43/33/89/1033433389.db2.gz IRPGUAPICAQTMJ-KFWWJZLASA-N 2 2 324.871 3.684 20 0 DHADLP CC(C)c1ccc[nH+]c1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001212712853 1033581437 /nfs/dbraw/zinc/58/14/37/1033581437.db2.gz HASISXBZBVVDAS-UHFFFAOYSA-N 2 2 310.445 3.700 20 0 DHADLP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001173278349 1033668283 /nfs/dbraw/zinc/66/82/83/1033668283.db2.gz LVXWFOGRZUNLPJ-NCOADZHNSA-N 2 2 319.518 3.618 20 0 DHADLP CC[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C1 ZINC001173278349 1033668290 /nfs/dbraw/zinc/66/82/90/1033668290.db2.gz LVXWFOGRZUNLPJ-NCOADZHNSA-N 2 2 319.518 3.618 20 0 DHADLP CC[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)C1 ZINC001173278349 1033668298 /nfs/dbraw/zinc/66/82/98/1033668298.db2.gz LVXWFOGRZUNLPJ-NCOADZHNSA-N 2 2 319.518 3.618 20 0 DHADLP CC[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)C1 ZINC001173278349 1033668303 /nfs/dbraw/zinc/66/83/03/1033668303.db2.gz LVXWFOGRZUNLPJ-NCOADZHNSA-N 2 2 319.518 3.618 20 0 DHADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173344584 1033699161 /nfs/dbraw/zinc/69/91/61/1033699161.db2.gz WCPASKCMNRWNLO-LJQANCHMSA-N 2 2 322.537 3.922 20 0 DHADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001173344584 1033699169 /nfs/dbraw/zinc/69/91/69/1033699169.db2.gz WCPASKCMNRWNLO-LJQANCHMSA-N 2 2 322.537 3.922 20 0 DHADLP C[NH+]1CCC2(CCCN(c3[nH+]ccc4cc(F)ccc43)C2)CC1 ZINC000826040513 1033708801 /nfs/dbraw/zinc/70/88/01/1033708801.db2.gz ZGEBDALHIYIRME-UHFFFAOYSA-N 2 2 313.420 3.686 20 0 DHADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CC[NH+]1CCCC1 ZINC001173552705 1033769115 /nfs/dbraw/zinc/76/91/15/1033769115.db2.gz YLSVNESRFNMSPS-ZDUSSCGKSA-N 2 2 315.288 4.000 20 0 DHADLP Fc1cccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)c1 ZINC000667498906 1033770139 /nfs/dbraw/zinc/77/01/39/1033770139.db2.gz WWLXLDWBNIPNPN-UHFFFAOYSA-N 2 2 322.387 3.571 20 0 DHADLP Fc1cccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)c1 ZINC000667498906 1033770156 /nfs/dbraw/zinc/77/01/56/1033770156.db2.gz WWLXLDWBNIPNPN-UHFFFAOYSA-N 2 2 322.387 3.571 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]21 ZINC001173692182 1033836379 /nfs/dbraw/zinc/83/63/79/1033836379.db2.gz ROHZJENCCZVBLW-KCUKBOBISA-N 2 2 324.512 3.839 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]21 ZINC001173692182 1033836391 /nfs/dbraw/zinc/83/63/91/1033836391.db2.gz ROHZJENCCZVBLW-KCUKBOBISA-N 2 2 324.512 3.839 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]21 ZINC001173692182 1033836405 /nfs/dbraw/zinc/83/64/05/1033836405.db2.gz ROHZJENCCZVBLW-KCUKBOBISA-N 2 2 324.512 3.839 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]21 ZINC001173692182 1033836411 /nfs/dbraw/zinc/83/64/11/1033836411.db2.gz ROHZJENCCZVBLW-KCUKBOBISA-N 2 2 324.512 3.839 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000173896597 1033890164 /nfs/dbraw/zinc/89/01/64/1033890164.db2.gz XRUYEXVETKZWJM-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000173896597 1033890173 /nfs/dbraw/zinc/89/01/73/1033890173.db2.gz XRUYEXVETKZWJM-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000173896597 1033890184 /nfs/dbraw/zinc/89/01/84/1033890184.db2.gz XRUYEXVETKZWJM-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000173896597 1033890194 /nfs/dbraw/zinc/89/01/94/1033890194.db2.gz XRUYEXVETKZWJM-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccnn1C1CCC1 ZINC000924727591 1033894262 /nfs/dbraw/zinc/89/42/62/1033894262.db2.gz BVVQBZGZZDEBHA-WMLDXEAASA-N 2 2 315.465 3.570 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)n1C ZINC000667617433 1034053455 /nfs/dbraw/zinc/05/34/55/1034053455.db2.gz RIKPGIOPEQYCRT-OAQYLSRUSA-N 2 2 317.436 3.876 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)n1C ZINC000667617433 1034053467 /nfs/dbraw/zinc/05/34/67/1034053467.db2.gz RIKPGIOPEQYCRT-OAQYLSRUSA-N 2 2 317.436 3.876 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000480150119 1034097086 /nfs/dbraw/zinc/09/70/86/1034097086.db2.gz PPVJRFKLXWKZHX-AWEZNQCLSA-N 2 2 310.869 3.875 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000863545567 1034127497 /nfs/dbraw/zinc/12/74/97/1034127497.db2.gz VNVXTPGLQYNESN-NQBHXWOUSA-N 2 2 300.418 3.792 20 0 DHADLP C[C@@H](c1ccncc1)[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020854 1034189942 /nfs/dbraw/zinc/18/99/42/1034189942.db2.gz RDUHMHAHTCYVFH-DZFGPLHGSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H](c1ccncc1)[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020854 1034189946 /nfs/dbraw/zinc/18/99/46/1034189946.db2.gz RDUHMHAHTCYVFH-DZFGPLHGSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020854 1034189952 /nfs/dbraw/zinc/18/99/52/1034189952.db2.gz RDUHMHAHTCYVFH-DZFGPLHGSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020854 1034189959 /nfs/dbraw/zinc/18/99/59/1034189959.db2.gz RDUHMHAHTCYVFH-DZFGPLHGSA-N 2 2 321.468 3.597 20 0 DHADLP c1cn2c(cccc2NC2=CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC001174393368 1034315972 /nfs/dbraw/zinc/31/59/72/1034315972.db2.gz UTWVQTBQSPRXKV-UHFFFAOYSA-N 2 2 304.397 3.536 20 0 DHADLP c1cn2c(cccc2NC2=CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC001174393368 1034315986 /nfs/dbraw/zinc/31/59/86/1034315986.db2.gz UTWVQTBQSPRXKV-UHFFFAOYSA-N 2 2 304.397 3.536 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000480561579 1034318625 /nfs/dbraw/zinc/31/86/25/1034318625.db2.gz GMVOHWFVCICUCB-IOASZLSFSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000480561579 1034318641 /nfs/dbraw/zinc/31/86/41/1034318641.db2.gz GMVOHWFVCICUCB-IOASZLSFSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000480561579 1034318655 /nfs/dbraw/zinc/31/86/55/1034318655.db2.gz GMVOHWFVCICUCB-IOASZLSFSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000480561579 1034318669 /nfs/dbraw/zinc/31/86/69/1034318669.db2.gz GMVOHWFVCICUCB-IOASZLSFSA-N 2 2 310.844 3.956 20 0 DHADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)s2)cc1 ZINC000179639157 1034321913 /nfs/dbraw/zinc/32/19/13/1034321913.db2.gz ULOQYAFZGOJTPP-HNNXBMFYSA-N 2 2 315.486 3.502 20 0 DHADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)s2)cc1 ZINC000179639157 1034321921 /nfs/dbraw/zinc/32/19/21/1034321921.db2.gz ULOQYAFZGOJTPP-HNNXBMFYSA-N 2 2 315.486 3.502 20 0 DHADLP COc1ccccc1[C@H](CC(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000179676773 1034325824 /nfs/dbraw/zinc/32/58/24/1034325824.db2.gz NIOFDVIIYVHRNU-KRWDZBQOSA-N 2 2 301.434 3.659 20 0 DHADLP CC(C)Oc1cccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000880471864 1034342580 /nfs/dbraw/zinc/34/25/80/1034342580.db2.gz ABVGKPSOFAQXIW-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP CO[C@@H](C[NH+]1CCC(C)([NH+]2CCC2)CC1)c1ccc(Cl)cc1 ZINC000880474226 1034343277 /nfs/dbraw/zinc/34/32/77/1034343277.db2.gz VIFSQEPZNFWGGP-KRWDZBQOSA-N 2 2 322.880 3.588 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000480607482 1034349491 /nfs/dbraw/zinc/34/94/91/1034349491.db2.gz GIBKJHWRMTUYMN-BPUTZDHNSA-N 2 2 324.415 3.874 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000480607482 1034349501 /nfs/dbraw/zinc/34/95/01/1034349501.db2.gz GIBKJHWRMTUYMN-BPUTZDHNSA-N 2 2 324.415 3.874 20 0 DHADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)ccc1C ZINC000880569057 1034362347 /nfs/dbraw/zinc/36/23/47/1034362347.db2.gz HDFQWONKGZIJMS-IBGZPJMESA-N 2 2 321.424 3.731 20 0 DHADLP CC(C)(C)SCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570223 1034363963 /nfs/dbraw/zinc/36/39/63/1034363963.db2.gz UYEMYKDHVJQHEG-MRXNPFEDSA-N 2 2 303.475 3.746 20 0 DHADLP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)cc1Cl ZINC000629523251 1034470451 /nfs/dbraw/zinc/47/04/51/1034470451.db2.gz CKBGPWPPEXSRCV-AWEZNQCLSA-N 2 2 317.260 3.542 20 0 DHADLP [NH3+][C@H]1CCc2cc(-c3cc(F)cc(Cn4cc[nH+]c4)c3)ccc2C1 ZINC000899324953 1034568529 /nfs/dbraw/zinc/56/85/29/1034568529.db2.gz SJAATAIHJJWCPY-FQEVSTJZSA-N 2 2 321.399 3.554 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924755370 1034610755 /nfs/dbraw/zinc/61/07/55/1034610755.db2.gz WBWPGXZUGBICEU-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924755370 1034610762 /nfs/dbraw/zinc/61/07/62/1034610762.db2.gz WBWPGXZUGBICEU-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000773470310 1034863915 /nfs/dbraw/zinc/86/39/15/1034863915.db2.gz ONRSKAWZDDELBD-AWEZNQCLSA-N 2 2 315.288 3.680 20 0 DHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000773470310 1034863926 /nfs/dbraw/zinc/86/39/26/1034863926.db2.gz ONRSKAWZDDELBD-AWEZNQCLSA-N 2 2 315.288 3.680 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802091 1034909957 /nfs/dbraw/zinc/90/99/57/1034909957.db2.gz KWFOAPJWUAERGL-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802091 1034909966 /nfs/dbraw/zinc/90/99/66/1034909966.db2.gz KWFOAPJWUAERGL-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802091 1034909978 /nfs/dbraw/zinc/90/99/78/1034909978.db2.gz KWFOAPJWUAERGL-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802091 1034909987 /nfs/dbraw/zinc/90/99/87/1034909987.db2.gz KWFOAPJWUAERGL-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC[N@H+](C)C(C)C)cc1F ZINC000482090826 1035056605 /nfs/dbraw/zinc/05/66/05/1035056605.db2.gz BGSUVNNQCNHSAZ-SJLPKXTDSA-N 2 2 322.468 3.790 20 0 DHADLP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC[N@@H+](C)C(C)C)cc1F ZINC000482090826 1035056613 /nfs/dbraw/zinc/05/66/13/1035056613.db2.gz BGSUVNNQCNHSAZ-SJLPKXTDSA-N 2 2 322.468 3.790 20 0 DHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000482241164 1035071799 /nfs/dbraw/zinc/07/17/99/1035071799.db2.gz HYVIYVKQZQQHHY-QFBILLFUSA-N 2 2 304.478 3.571 20 0 DHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000482241164 1035071805 /nfs/dbraw/zinc/07/18/05/1035071805.db2.gz HYVIYVKQZQQHHY-QFBILLFUSA-N 2 2 304.478 3.571 20 0 DHADLP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000482244599 1035072578 /nfs/dbraw/zinc/07/25/78/1035072578.db2.gz IMNGTZJTZGWMDV-IFXJQAMLSA-N 2 2 313.420 3.936 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)C(C)(C)C ZINC000194317839 1035114091 /nfs/dbraw/zinc/11/40/91/1035114091.db2.gz VLHHDZVAGYAUOP-QGZVFWFLSA-N 2 2 314.477 3.533 20 0 DHADLP CC[NH+]1CCN(c2ccc(Nc3cccc(C4CC4)[nH+]3)cc2)CC1 ZINC001175781659 1035119784 /nfs/dbraw/zinc/11/97/84/1035119784.db2.gz JHQJVOCXWAUXLM-UHFFFAOYSA-N 2 2 322.456 3.845 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159318441 1035133447 /nfs/dbraw/zinc/13/34/47/1035133447.db2.gz RZDBIIXYOZEEPM-AWEZNQCLSA-N 2 2 304.331 3.548 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159318441 1035133458 /nfs/dbraw/zinc/13/34/58/1035133458.db2.gz RZDBIIXYOZEEPM-AWEZNQCLSA-N 2 2 304.331 3.548 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C(C)(C)c1ccccc1 ZINC000482633798 1035151361 /nfs/dbraw/zinc/15/13/61/1035151361.db2.gz RJGQKESTRZBGKE-FUHWJXTLSA-N 2 2 300.490 3.959 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C(C)(C)c1ccccc1 ZINC000482633798 1035151366 /nfs/dbraw/zinc/15/13/66/1035151366.db2.gz RJGQKESTRZBGKE-FUHWJXTLSA-N 2 2 300.490 3.959 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000482830172 1035184689 /nfs/dbraw/zinc/18/46/89/1035184689.db2.gz VEWLKZILOCLWHA-CJNGLKHVSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000482830172 1035184691 /nfs/dbraw/zinc/18/46/91/1035184691.db2.gz VEWLKZILOCLWHA-CJNGLKHVSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000482830172 1035184696 /nfs/dbraw/zinc/18/46/96/1035184696.db2.gz VEWLKZILOCLWHA-CJNGLKHVSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000482830172 1035184699 /nfs/dbraw/zinc/18/46/99/1035184699.db2.gz VEWLKZILOCLWHA-CJNGLKHVSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+](Cc1nccn1C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000668161234 1035200111 /nfs/dbraw/zinc/20/01/11/1035200111.db2.gz VWYLEZSJHLGVMG-UHFFFAOYSA-N 2 2 314.477 3.548 20 0 DHADLP CC[N@@H+](Cc1nccn1C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000668161234 1035200116 /nfs/dbraw/zinc/20/01/16/1035200116.db2.gz VWYLEZSJHLGVMG-UHFFFAOYSA-N 2 2 314.477 3.548 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@H]1CCOC1 ZINC000482952996 1035203736 /nfs/dbraw/zinc/20/37/36/1035203736.db2.gz VZLKCFIRIJCGNO-NJAFHUGGSA-N 2 2 304.478 3.521 20 0 DHADLP C[NH+](C)Cc1ccc(Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001176291851 1035236574 /nfs/dbraw/zinc/23/65/74/1035236574.db2.gz LIOYCVJJNJETEA-UHFFFAOYSA-N 2 2 306.413 3.737 20 0 DHADLP FC(F)(F)c1ccc(Cl)c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC001177136205 1035352357 /nfs/dbraw/zinc/35/23/57/1035352357.db2.gz IRQLDXLPMCYTHM-UHFFFAOYSA-N 2 2 320.786 3.934 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nccs1 ZINC001177256640 1035360101 /nfs/dbraw/zinc/36/01/01/1035360101.db2.gz KIMRZMYFRNWJKM-OAHLLOKOSA-N 2 2 315.486 3.807 20 0 DHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nccs1 ZINC001177256640 1035360103 /nfs/dbraw/zinc/36/01/03/1035360103.db2.gz KIMRZMYFRNWJKM-OAHLLOKOSA-N 2 2 315.486 3.807 20 0 DHADLP Clc1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C2CC2)nc1 ZINC001168369090 1035363617 /nfs/dbraw/zinc/36/36/17/1035363617.db2.gz WAVLGZIVSDPFRL-GOSISDBHSA-N 2 2 319.880 3.650 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC001177713129 1035389042 /nfs/dbraw/zinc/38/90/42/1035389042.db2.gz USAUAWJPWIFTML-HNNXBMFYSA-N 2 2 309.388 3.905 20 0 DHADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(F)c1 ZINC001177712832 1035389365 /nfs/dbraw/zinc/38/93/65/1035389365.db2.gz QVIQOABXFCKHGO-CYBMUJFWSA-N 2 2 315.417 3.966 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304113 1035397632 /nfs/dbraw/zinc/39/76/32/1035397632.db2.gz ROQYQAZPKMTEMB-GUYCJALGSA-N 2 2 303.475 3.679 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304113 1035397636 /nfs/dbraw/zinc/39/76/36/1035397636.db2.gz ROQYQAZPKMTEMB-GUYCJALGSA-N 2 2 303.475 3.679 20 0 DHADLP Cc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC001177919219 1035398502 /nfs/dbraw/zinc/39/85/02/1035398502.db2.gz KJQMLIBOEQBGCH-XJKSGUPXSA-N 2 2 321.515 3.686 20 0 DHADLP Cc1csc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC001177919219 1035398507 /nfs/dbraw/zinc/39/85/07/1035398507.db2.gz KJQMLIBOEQBGCH-XJKSGUPXSA-N 2 2 321.515 3.686 20 0 DHADLP CC[C@H](C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1)c1ccccc1 ZINC001177924278 1035399544 /nfs/dbraw/zinc/39/95/44/1035399544.db2.gz HXPCPEPRKZHKEH-GOSISDBHSA-N 2 2 322.496 3.869 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]Cc1ccsc1 ZINC001178790785 1035447944 /nfs/dbraw/zinc/44/79/44/1035447944.db2.gz CBSPSNRKKKPCDM-UHFFFAOYSA-N 2 2 303.818 3.877 20 0 DHADLP C[C@@H]1Cc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)ccc2O1 ZINC001179169330 1035468057 /nfs/dbraw/zinc/46/80/57/1035468057.db2.gz XVYMLKSGUKCOQL-DNVCBOLYSA-N 2 2 314.473 3.507 20 0 DHADLP C[C@@H]1Cc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)ccc2O1 ZINC001179169330 1035468060 /nfs/dbraw/zinc/46/80/60/1035468060.db2.gz XVYMLKSGUKCOQL-DNVCBOLYSA-N 2 2 314.473 3.507 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H](C)c1ccccc1C(F)(F)F ZINC001193252565 1035596394 /nfs/dbraw/zinc/59/63/94/1035596394.db2.gz YUNOTPXCCDZOQH-MGPQQGTHSA-N 2 2 314.395 3.881 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H](C)c1ccccc1C(F)(F)F ZINC001193252565 1035596395 /nfs/dbraw/zinc/59/63/95/1035596395.db2.gz YUNOTPXCCDZOQH-MGPQQGTHSA-N 2 2 314.395 3.881 20 0 DHADLP COC1CCC(C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC001181196618 1035865347 /nfs/dbraw/zinc/86/53/47/1035865347.db2.gz SOQBNHNOGKKCEH-UHFFFAOYSA-N 2 2 322.537 3.828 20 0 DHADLP CCCCCCOc1ccccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001204295009 1035882606 /nfs/dbraw/zinc/88/26/06/1035882606.db2.gz YHVDQWHBFWRREQ-KDURUIRLSA-N 2 2 316.489 3.639 20 0 DHADLP CCCCCCOc1ccccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001204295009 1035882629 /nfs/dbraw/zinc/88/26/29/1035882629.db2.gz YHVDQWHBFWRREQ-KDURUIRLSA-N 2 2 316.489 3.639 20 0 DHADLP CCCCCCOc1ccccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001204295009 1035882650 /nfs/dbraw/zinc/88/26/50/1035882650.db2.gz YHVDQWHBFWRREQ-KDURUIRLSA-N 2 2 316.489 3.639 20 0 DHADLP CCCCCCOc1ccccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001204295009 1035882671 /nfs/dbraw/zinc/88/26/71/1035882671.db2.gz YHVDQWHBFWRREQ-KDURUIRLSA-N 2 2 316.489 3.639 20 0 DHADLP Cc1oc(C(C)(C)C)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001181324214 1035890560 /nfs/dbraw/zinc/89/05/60/1035890560.db2.gz PRJJQQNFOXNUCL-QGZVFWFLSA-N 2 2 314.429 3.934 20 0 DHADLP Cc1oc(C(C)(C)C)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001181324214 1035890586 /nfs/dbraw/zinc/89/05/86/1035890586.db2.gz PRJJQQNFOXNUCL-QGZVFWFLSA-N 2 2 314.429 3.934 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C12CCCCC2 ZINC001181436646 1035924980 /nfs/dbraw/zinc/92/49/80/1035924980.db2.gz XJXUZMQMDACFHD-OKZBNKHCSA-N 2 2 322.537 3.824 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C12CCCCC2 ZINC001181436646 1035924992 /nfs/dbraw/zinc/92/49/92/1035924992.db2.gz XJXUZMQMDACFHD-OKZBNKHCSA-N 2 2 322.537 3.824 20 0 DHADLP CO[C@@H](C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)CC(C)C ZINC001181912234 1036044002 /nfs/dbraw/zinc/04/40/02/1036044002.db2.gz BWOAOKTUKVNGCD-LJQANCHMSA-N 2 2 318.505 3.692 20 0 DHADLP CO[C@@H](C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)CC(C)C ZINC001181912234 1036044013 /nfs/dbraw/zinc/04/40/13/1036044013.db2.gz BWOAOKTUKVNGCD-LJQANCHMSA-N 2 2 318.505 3.692 20 0 DHADLP CCc1ccc([C@H](C[NH2+]C[C@@H]2CCC=CO2)[NH+](CC)CC)cc1 ZINC001182109885 1036096634 /nfs/dbraw/zinc/09/66/34/1036096634.db2.gz UQVWKIOGEOZJSB-PMACEKPBSA-N 2 2 316.489 3.914 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000494935569 1036137063 /nfs/dbraw/zinc/13/70/63/1036137063.db2.gz HSYHAVURSAJLTI-DZGCQCFKSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000494935569 1036137073 /nfs/dbraw/zinc/13/70/73/1036137073.db2.gz HSYHAVURSAJLTI-DZGCQCFKSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000494935569 1036137082 /nfs/dbraw/zinc/13/70/82/1036137082.db2.gz HSYHAVURSAJLTI-DZGCQCFKSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000494935569 1036137091 /nfs/dbraw/zinc/13/70/91/1036137091.db2.gz HSYHAVURSAJLTI-DZGCQCFKSA-N 2 2 310.869 3.653 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000494989036 1036168331 /nfs/dbraw/zinc/16/83/31/1036168331.db2.gz ZVTVMGLZUXSKQH-RHSMWYFYSA-N 2 2 324.896 3.901 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000494989036 1036168341 /nfs/dbraw/zinc/16/83/41/1036168341.db2.gz ZVTVMGLZUXSKQH-RHSMWYFYSA-N 2 2 324.896 3.901 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000494989036 1036168348 /nfs/dbraw/zinc/16/83/48/1036168348.db2.gz ZVTVMGLZUXSKQH-RHSMWYFYSA-N 2 2 324.896 3.901 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000494989036 1036168360 /nfs/dbraw/zinc/16/83/60/1036168360.db2.gz ZVTVMGLZUXSKQH-RHSMWYFYSA-N 2 2 324.896 3.901 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCCn1cc[nH+]c1)CC3 ZINC000540908279 1036188602 /nfs/dbraw/zinc/18/86/02/1036188602.db2.gz BOHNIUGUHOLTGO-MRXNPFEDSA-N 2 2 322.456 3.600 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000250387274 1036271219 /nfs/dbraw/zinc/27/12/19/1036271219.db2.gz XRLDKPLOLFVSPW-IUODEOHRSA-N 2 2 311.267 3.584 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000250387274 1036271233 /nfs/dbraw/zinc/27/12/33/1036271233.db2.gz XRLDKPLOLFVSPW-IUODEOHRSA-N 2 2 311.267 3.584 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495179147 1036320707 /nfs/dbraw/zinc/32/07/07/1036320707.db2.gz YRWRPUNTJWDSGY-AWEZNQCLSA-N 2 2 319.836 3.841 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495179147 1036320723 /nfs/dbraw/zinc/32/07/23/1036320723.db2.gz YRWRPUNTJWDSGY-AWEZNQCLSA-N 2 2 319.836 3.841 20 0 DHADLP CSCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090186652 1036411573 /nfs/dbraw/zinc/41/15/73/1036411573.db2.gz ORPYCDSLQUJDDO-KRWDZBQOSA-N 2 2 306.519 3.772 20 0 DHADLP CSCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090186652 1036411582 /nfs/dbraw/zinc/41/15/82/1036411582.db2.gz ORPYCDSLQUJDDO-KRWDZBQOSA-N 2 2 306.519 3.772 20 0 DHADLP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccn(C)n1 ZINC000541732497 1036411802 /nfs/dbraw/zinc/41/18/02/1036411802.db2.gz MULVOICCWNIUEE-RDTXWAMCSA-N 2 2 323.444 3.716 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2OCC)CC1 ZINC000486934436 1036467872 /nfs/dbraw/zinc/46/78/72/1036467872.db2.gz BUVJYSGGLLZQNB-UHFFFAOYSA-N 2 2 310.869 3.703 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC001183036581 1036501672 /nfs/dbraw/zinc/50/16/72/1036501672.db2.gz QZEKDJNEIJVWHE-KCITZHQASA-N 2 2 309.457 3.872 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)c1ccccc1 ZINC001183036579 1036504075 /nfs/dbraw/zinc/50/40/75/1036504075.db2.gz QZEKDJNEIJVWHE-ISARSNTHSA-N 2 2 309.457 3.872 20 0 DHADLP C[C@]1([NH3+])CCC[N@H+](C/C(Br)=C/c2ccccc2)CC1 ZINC001205254756 1036520833 /nfs/dbraw/zinc/52/08/33/1036520833.db2.gz AXPHGUZQXXVFAJ-IRVMHKCDSA-N 2 2 323.278 3.626 20 0 DHADLP C[C@]1([NH3+])CCC[N@@H+](C/C(Br)=C/c2ccccc2)CC1 ZINC001205254756 1036520841 /nfs/dbraw/zinc/52/08/41/1036520841.db2.gz AXPHGUZQXXVFAJ-IRVMHKCDSA-N 2 2 323.278 3.626 20 0 DHADLP Cc1ccoc1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000491414633 1036574699 /nfs/dbraw/zinc/57/46/99/1036574699.db2.gz ORJQWRFUFRWOCK-UHFFFAOYSA-N 2 2 300.446 3.836 20 0 DHADLP Cc1ccoc1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000491414633 1036574705 /nfs/dbraw/zinc/57/47/05/1036574705.db2.gz ORJQWRFUFRWOCK-UHFFFAOYSA-N 2 2 300.446 3.836 20 0 DHADLP C[NH+]1C[C@]2(C)C[NH+](CCSc3cccc(Cl)c3)C[C@@]2(C)C1 ZINC001196631704 1036581661 /nfs/dbraw/zinc/58/16/61/1036581661.db2.gz HJYYSLXQGAUUTD-IAGOWNOFSA-N 2 2 324.921 3.706 20 0 DHADLP COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151687013 1036598470 /nfs/dbraw/zinc/59/84/70/1036598470.db2.gz PJTOBNLFDMQQOH-HUUCEWRRSA-N 2 2 301.434 3.727 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H]2CCSC2)c(C)c1 ZINC000487573863 1036685762 /nfs/dbraw/zinc/68/57/62/1036685762.db2.gz MAJKNCXZSMECOQ-SJLPKXTDSA-N 2 2 315.486 3.584 20 0 DHADLP Cc1ccnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000669941997 1036722287 /nfs/dbraw/zinc/72/22/87/1036722287.db2.gz PENKIGHENHCYIN-FQEVSTJZSA-N 2 2 323.484 3.780 20 0 DHADLP Cc1ccnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000669941997 1036722296 /nfs/dbraw/zinc/72/22/96/1036722296.db2.gz PENKIGHENHCYIN-FQEVSTJZSA-N 2 2 323.484 3.780 20 0 DHADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[C@H]1C ZINC000487957107 1036795418 /nfs/dbraw/zinc/79/54/18/1036795418.db2.gz HMHXGZIUHJYVEC-VQIMIIECSA-N 2 2 313.445 3.509 20 0 DHADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[C@H]1C ZINC000487957107 1036795436 /nfs/dbraw/zinc/79/54/36/1036795436.db2.gz HMHXGZIUHJYVEC-VQIMIIECSA-N 2 2 313.445 3.509 20 0 DHADLP C[C@H]1CC[N@H+](Cc2c(Cl)cccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205303351 1036900786 /nfs/dbraw/zinc/90/07/86/1036900786.db2.gz CTKAZUKYMISXJB-WDEREUQCSA-N 2 2 320.786 3.776 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC001205303351 1036900796 /nfs/dbraw/zinc/90/07/96/1036900796.db2.gz CTKAZUKYMISXJB-WDEREUQCSA-N 2 2 320.786 3.776 20 0 DHADLP c1cc2cccc(C[NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)c2[nH]1 ZINC000236582345 1036967114 /nfs/dbraw/zinc/96/71/14/1036967114.db2.gz VJJSMCKZWHDPJN-FQEVSTJZSA-N 2 2 319.452 3.922 20 0 DHADLP c1cc2cccc(C[NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)c2[nH]1 ZINC000236582345 1036967124 /nfs/dbraw/zinc/96/71/24/1036967124.db2.gz VJJSMCKZWHDPJN-FQEVSTJZSA-N 2 2 319.452 3.922 20 0 DHADLP c1ccc(N2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)[nH+]c1 ZINC000236731146 1036974276 /nfs/dbraw/zinc/97/42/76/1036974276.db2.gz YPDBTWJUUAUHPM-UHFFFAOYSA-N 2 2 307.441 3.718 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000236921283 1036985449 /nfs/dbraw/zinc/98/54/49/1036985449.db2.gz VNPCSCUCMGKWQE-UHFFFAOYSA-N 2 2 324.468 3.840 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000237570676 1037019566 /nfs/dbraw/zinc/01/95/66/1037019566.db2.gz LEYGTPDONPDJFO-YOEHRIQHSA-N 2 2 311.429 3.557 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CS1 ZINC000488440154 1037023259 /nfs/dbraw/zinc/02/32/59/1037023259.db2.gz PSVXLHBDKIJIGM-PBHICJAKSA-N 2 2 319.449 3.631 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488457997 1037025385 /nfs/dbraw/zinc/02/53/85/1037025385.db2.gz JNJPMPNTBJRYHL-CYBMUJFWSA-N 2 2 315.288 3.810 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488457997 1037025366 /nfs/dbraw/zinc/02/53/66/1037025366.db2.gz JNJPMPNTBJRYHL-CYBMUJFWSA-N 2 2 315.288 3.810 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488457997 1037025402 /nfs/dbraw/zinc/02/54/02/1037025402.db2.gz JNJPMPNTBJRYHL-CYBMUJFWSA-N 2 2 315.288 3.810 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488457997 1037025421 /nfs/dbraw/zinc/02/54/21/1037025421.db2.gz JNJPMPNTBJRYHL-CYBMUJFWSA-N 2 2 315.288 3.810 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488457998 1037027796 /nfs/dbraw/zinc/02/77/96/1037027796.db2.gz JNJPMPNTBJRYHL-ZDUSSCGKSA-N 2 2 315.288 3.810 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488457998 1037027816 /nfs/dbraw/zinc/02/78/16/1037027816.db2.gz JNJPMPNTBJRYHL-ZDUSSCGKSA-N 2 2 315.288 3.810 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488457998 1037027837 /nfs/dbraw/zinc/02/78/37/1037027837.db2.gz JNJPMPNTBJRYHL-ZDUSSCGKSA-N 2 2 315.288 3.810 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000488457998 1037027849 /nfs/dbraw/zinc/02/78/49/1037027849.db2.gz JNJPMPNTBJRYHL-ZDUSSCGKSA-N 2 2 315.288 3.810 20 0 DHADLP COc1cccc2c(N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000570212213 1037096775 /nfs/dbraw/zinc/09/67/75/1037096775.db2.gz CQNJZSQKCHMWPG-KBPBESRZSA-N 2 2 311.429 3.589 20 0 DHADLP COc1cccc2c(N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000570212213 1037096786 /nfs/dbraw/zinc/09/67/86/1037096786.db2.gz CQNJZSQKCHMWPG-KBPBESRZSA-N 2 2 311.429 3.589 20 0 DHADLP COC(C)(C)CC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790700 1037123907 /nfs/dbraw/zinc/12/39/07/1037123907.db2.gz MJRYKGVUQFUXGF-OAHLLOKOSA-N 2 2 307.482 3.633 20 0 DHADLP COC(C)(C)CC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001198790700 1037123917 /nfs/dbraw/zinc/12/39/17/1037123917.db2.gz MJRYKGVUQFUXGF-OAHLLOKOSA-N 2 2 307.482 3.633 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001198791200 1037126468 /nfs/dbraw/zinc/12/64/68/1037126468.db2.gz SQZLLRNNVKDTEW-AWEZNQCLSA-N 2 2 311.420 3.863 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001198791200 1037126480 /nfs/dbraw/zinc/12/64/80/1037126480.db2.gz SQZLLRNNVKDTEW-AWEZNQCLSA-N 2 2 311.420 3.863 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC001198899516 1037152514 /nfs/dbraw/zinc/15/25/14/1037152514.db2.gz BLZMYSJHCVRHCM-RLLQIKCJSA-N 2 2 316.489 3.618 20 0 DHADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC001198952694 1037169071 /nfs/dbraw/zinc/16/90/71/1037169071.db2.gz TXXAWMLLJCHETP-UHFFFAOYSA-N 2 2 307.240 3.954 20 0 DHADLP c1cn(Cc2cccc(C[NH2+]Cc3cccc4c3CCC4)c2)c[nH+]1 ZINC001199178743 1037211739 /nfs/dbraw/zinc/21/17/39/1037211739.db2.gz GHPXBINYTFMMCH-UHFFFAOYSA-N 2 2 317.436 3.710 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000775953418 1037248672 /nfs/dbraw/zinc/24/86/72/1037248672.db2.gz LCSWCBICEKCIHM-QGZVFWFLSA-N 2 2 305.425 3.841 20 0 DHADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397335393 1037284703 /nfs/dbraw/zinc/28/47/03/1037284703.db2.gz BGYGJCZXQKPFOU-SCRDCRAPSA-N 2 2 319.474 3.517 20 0 DHADLP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397335393 1037284724 /nfs/dbraw/zinc/28/47/24/1037284724.db2.gz BGYGJCZXQKPFOU-SCRDCRAPSA-N 2 2 319.474 3.517 20 0 DHADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193840904 1037302082 /nfs/dbraw/zinc/30/20/82/1037302082.db2.gz TWJOFAMKJVFPTN-GFCCVEGCSA-N 2 2 316.367 3.672 20 0 DHADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001199699859 1037322887 /nfs/dbraw/zinc/32/28/87/1037322887.db2.gz ABRCLXLQONUPAN-BBRMVZONSA-N 2 2 301.409 3.926 20 0 DHADLP CCc1cc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001186315820 1037365793 /nfs/dbraw/zinc/36/57/93/1037365793.db2.gz KENCCZLJKQBQCR-IFXJQAMLSA-N 2 2 312.461 3.705 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924847320 1037472472 /nfs/dbraw/zinc/47/24/72/1037472472.db2.gz SUEVFKXHACJHBU-KRWDZBQOSA-N 2 2 321.896 3.967 20 0 DHADLP C[C@@H]([NH2+]CCCC1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000347436014 1037479055 /nfs/dbraw/zinc/47/90/55/1037479055.db2.gz VRPIQBNKKHSRNY-MRXNPFEDSA-N 2 2 313.445 3.730 20 0 DHADLP COC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000493944823 1037601259 /nfs/dbraw/zinc/60/12/59/1037601259.db2.gz LHAZCMHCJHDDPF-QAPCUYQASA-N 2 2 324.896 3.882 20 0 DHADLP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000493944823 1037601271 /nfs/dbraw/zinc/60/12/71/1037601271.db2.gz LHAZCMHCJHDDPF-QAPCUYQASA-N 2 2 324.896 3.882 20 0 DHADLP CCCc1csc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000494045898 1037629078 /nfs/dbraw/zinc/62/90/78/1037629078.db2.gz CSDYXJSWHWXCEP-UHFFFAOYSA-N 2 2 321.465 3.586 20 0 DHADLP CCCc1csc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000494195805 1037675514 /nfs/dbraw/zinc/67/55/14/1037675514.db2.gz RPYRSEZHJPCIMS-CABCVRRESA-N 2 2 321.534 3.838 20 0 DHADLP CCCc1csc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000494195805 1037675529 /nfs/dbraw/zinc/67/55/29/1037675529.db2.gz RPYRSEZHJPCIMS-CABCVRRESA-N 2 2 321.534 3.838 20 0 DHADLP CC(C)=CCC[C@@H](C)C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001201491227 1037714283 /nfs/dbraw/zinc/71/42/83/1037714283.db2.gz QZIGLRHYCJFRDR-MRXNPFEDSA-N 2 2 316.493 3.598 20 0 DHADLP CC[C@H](C)C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001201502329 1037723016 /nfs/dbraw/zinc/72/30/16/1037723016.db2.gz HHSSGTMYVFYFPS-HNNXBMFYSA-N 2 2 321.534 3.928 20 0 DHADLP CC[C@H](C)C[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001201502329 1037723031 /nfs/dbraw/zinc/72/30/31/1037723031.db2.gz HHSSGTMYVFYFPS-HNNXBMFYSA-N 2 2 321.534 3.928 20 0 DHADLP CCCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201751010 1037874547 /nfs/dbraw/zinc/87/45/47/1037874547.db2.gz RKJNSQDNMVEBGC-HOTGVXAUSA-N 2 2 307.507 3.620 20 0 DHADLP CCCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201751010 1037874564 /nfs/dbraw/zinc/87/45/64/1037874564.db2.gz RKJNSQDNMVEBGC-HOTGVXAUSA-N 2 2 307.507 3.620 20 0 DHADLP CCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201751010 1037874581 /nfs/dbraw/zinc/87/45/81/1037874581.db2.gz RKJNSQDNMVEBGC-HOTGVXAUSA-N 2 2 307.507 3.620 20 0 DHADLP CCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201751010 1037874598 /nfs/dbraw/zinc/87/45/98/1037874598.db2.gz RKJNSQDNMVEBGC-HOTGVXAUSA-N 2 2 307.507 3.620 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)Cc1ccccc1 ZINC000571006274 1038065706 /nfs/dbraw/zinc/06/57/06/1038065706.db2.gz DCCWJFDAIUDTIU-GOSISDBHSA-N 2 2 319.452 3.900 20 0 DHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000127253458 1038164465 /nfs/dbraw/zinc/16/44/65/1038164465.db2.gz ZJYVIWNQNMCRHN-UHFFFAOYSA-N 2 2 313.445 3.584 20 0 DHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)CC1CC1 ZINC000127253458 1038164472 /nfs/dbraw/zinc/16/44/72/1038164472.db2.gz ZJYVIWNQNMCRHN-UHFFFAOYSA-N 2 2 313.445 3.584 20 0 DHADLP c1cn(-c2ccc(C[NH2+]Cc3ccc4cccnc4c3)cc2)c[nH+]1 ZINC000589645745 1038528346 /nfs/dbraw/zinc/52/83/46/1038528346.db2.gz YCOPNBZPCMXFDL-UHFFFAOYSA-N 2 2 314.392 3.710 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cn1 ZINC000775489727 1038564560 /nfs/dbraw/zinc/56/45/60/1038564560.db2.gz QUYRCZOIHJSWOS-ZDUSSCGKSA-N 2 2 312.804 3.772 20 0 DHADLP CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000224284992 1038627585 /nfs/dbraw/zinc/62/75/85/1038627585.db2.gz QUUXCUQRVJVOEG-YSVLISHTSA-N 2 2 301.459 3.807 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725567 1039065842 /nfs/dbraw/zinc/06/58/42/1039065842.db2.gz CYSUHSDKDZWTLZ-JSGCOSHPSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725567 1039065849 /nfs/dbraw/zinc/06/58/49/1039065849.db2.gz CYSUHSDKDZWTLZ-JSGCOSHPSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725567 1039065857 /nfs/dbraw/zinc/06/58/57/1039065857.db2.gz CYSUHSDKDZWTLZ-JSGCOSHPSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725567 1039065867 /nfs/dbraw/zinc/06/58/67/1039065867.db2.gz CYSUHSDKDZWTLZ-JSGCOSHPSA-N 2 2 321.515 3.644 20 0 DHADLP CC[NH+](Cc1ccoc1)CC(C)C[N@@H+](CC)Cc1ccoc1 ZINC000605573311 1039720217 /nfs/dbraw/zinc/72/02/17/1039720217.db2.gz NJAZEOFUNNKMJG-UHFFFAOYSA-N 2 2 304.434 3.853 20 0 DHADLP CC[NH+](Cc1ccoc1)CC(C)C[N@H+](CC)Cc1ccoc1 ZINC000605573311 1039720223 /nfs/dbraw/zinc/72/02/23/1039720223.db2.gz NJAZEOFUNNKMJG-UHFFFAOYSA-N 2 2 304.434 3.853 20 0 DHADLP CSCC1(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000594963584 1039967994 /nfs/dbraw/zinc/96/79/94/1039967994.db2.gz RTEDQRDSWPLNDW-UHFFFAOYSA-N 2 2 307.488 3.557 20 0 DHADLP Cc1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1F ZINC000608069285 1040364051 /nfs/dbraw/zinc/36/40/51/1040364051.db2.gz AQQLCBPSMSQKAM-LJQANCHMSA-N 2 2 323.415 3.941 20 0 DHADLP CC(C)c1cc(N2CCC[C@@H](C[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000761214171 1040658927 /nfs/dbraw/zinc/65/89/27/1040658927.db2.gz WVPFDIKANHTPKM-HNNXBMFYSA-N 2 2 304.482 3.501 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000090667385 185308602 /nfs/dbraw/zinc/30/86/02/185308602.db2.gz LLXZYOANSQPYRN-HOTGVXAUSA-N 2 2 301.478 3.775 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)s2)c2ccccc21 ZINC000132027049 334938617 /nfs/dbraw/zinc/93/86/17/334938617.db2.gz TYINBOUMSHXFDK-CHWSQXEVSA-N 2 2 323.259 3.745 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@H](C3CC3)C2)[C@@H]1c1cccnc1 ZINC000328627237 529794208 /nfs/dbraw/zinc/79/42/08/529794208.db2.gz FXAXCCMFTIQSKQ-LEAZDLGRSA-N 2 2 313.489 3.633 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@H](C3CC3)C2)[C@@H]1c1cccnc1 ZINC000328627237 529794209 /nfs/dbraw/zinc/79/42/09/529794209.db2.gz FXAXCCMFTIQSKQ-LEAZDLGRSA-N 2 2 313.489 3.633 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000093318625 193231720 /nfs/dbraw/zinc/23/17/20/193231720.db2.gz OIERJDPXRLIINV-IEBWSBKVSA-N 2 2 311.473 3.510 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccn2C)CC[N@H+]1Cc1ccccc1 ZINC000093318625 193231722 /nfs/dbraw/zinc/23/17/22/193231722.db2.gz OIERJDPXRLIINV-IEBWSBKVSA-N 2 2 311.473 3.510 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccn2C)CC[NH+]1Cc1ccccc1 ZINC000093318625 193231723 /nfs/dbraw/zinc/23/17/23/193231723.db2.gz OIERJDPXRLIINV-IEBWSBKVSA-N 2 2 311.473 3.510 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccn2C)CC[NH+]1Cc1ccccc1 ZINC000093318625 193231725 /nfs/dbraw/zinc/23/17/25/193231725.db2.gz OIERJDPXRLIINV-IEBWSBKVSA-N 2 2 311.473 3.510 20 0 DHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2nccs2)CC1 ZINC000093399044 193245065 /nfs/dbraw/zinc/24/50/65/193245065.db2.gz GCNNUUNZJJBXQU-HNNXBMFYSA-N 2 2 315.486 3.767 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000019960018 182170097 /nfs/dbraw/zinc/17/00/97/182170097.db2.gz DJIAYPCLYPRGSL-STQMWFEESA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000019960018 182170100 /nfs/dbraw/zinc/17/01/00/182170100.db2.gz DJIAYPCLYPRGSL-STQMWFEESA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000022935978 182341895 /nfs/dbraw/zinc/34/18/95/182341895.db2.gz UIAHIPSWVPNWIQ-FQEVSTJZSA-N 2 2 324.468 3.840 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000022935978 182341897 /nfs/dbraw/zinc/34/18/97/182341897.db2.gz UIAHIPSWVPNWIQ-FQEVSTJZSA-N 2 2 324.468 3.840 20 0 DHADLP CCc1[nH+]c2ccccc2c(NCCCCn2cc[nH+]c2)c1C ZINC000563831243 335034380 /nfs/dbraw/zinc/03/43/80/335034380.db2.gz QDLHZOYHBDNBBK-UHFFFAOYSA-N 2 2 308.429 3.616 20 0 DHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1 ZINC000272304504 130018955 /nfs/dbraw/zinc/01/89/55/130018955.db2.gz SBMGANHQSLWGHZ-MRXNPFEDSA-N 2 2 324.472 3.785 20 0 DHADLP Cc1cccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272590121 130043668 /nfs/dbraw/zinc/04/36/68/130043668.db2.gz RTTKLQQOYTXFMB-UHFFFAOYSA-N 2 2 314.395 3.544 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1cc[nH+]cc1C)CC3 ZINC000272691986 130055014 /nfs/dbraw/zinc/05/50/14/130055014.db2.gz XEVKLJIHTTZIEV-QGZVFWFLSA-N 2 2 319.452 3.869 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272711903 130055923 /nfs/dbraw/zinc/05/59/23/130055923.db2.gz YADNXLAVIIVLDB-CYBMUJFWSA-N 2 2 318.383 3.607 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000272717451 130057136 /nfs/dbraw/zinc/05/71/36/130057136.db2.gz DIVZPFHGMDWZMJ-QGZVFWFLSA-N 2 2 300.377 3.575 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1C ZINC000272791471 130063978 /nfs/dbraw/zinc/06/39/78/130063978.db2.gz AXGDTRRSWNQGKZ-HNNXBMFYSA-N 2 2 309.413 3.545 20 0 DHADLP CCC[NH+](CCC)CCCN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000275843474 130397004 /nfs/dbraw/zinc/39/70/04/130397004.db2.gz JOYFLCKNQQHRPR-SFHVURJKSA-N 2 2 314.477 3.601 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000340181898 131013286 /nfs/dbraw/zinc/01/32/86/131013286.db2.gz JVWWKDSJACAFJE-BRWVUGGUSA-N 2 2 316.489 3.714 20 0 DHADLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cc(C)on2)cc1 ZINC000283871067 131030472 /nfs/dbraw/zinc/03/04/72/131030472.db2.gz BWRWTSNHKSSRRT-HNNXBMFYSA-N 2 2 301.434 3.676 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C[C@@H]1n1cc[nH+]c1 ZINC000285129152 131141054 /nfs/dbraw/zinc/14/10/54/131141054.db2.gz SHECGDAPMSKUCT-YJBOKZPZSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@@H]1n1cc[nH+]c1 ZINC000285129152 131141056 /nfs/dbraw/zinc/14/10/56/131141056.db2.gz SHECGDAPMSKUCT-YJBOKZPZSA-N 2 2 322.412 3.621 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)sc1Br ZINC000285572549 131182282 /nfs/dbraw/zinc/18/22/82/131182282.db2.gz WHIGIWKRAVFOPI-SNVBAGLBSA-N 2 2 317.296 3.564 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000285602065 131185744 /nfs/dbraw/zinc/18/57/44/131185744.db2.gz JUUFJYCHRUHPIE-SFHVURJKSA-N 2 2 323.484 3.748 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000287473841 131282289 /nfs/dbraw/zinc/28/22/89/131282289.db2.gz WOVGOESUKFFSRP-QKLQHJQFSA-N 2 2 309.457 3.704 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000287473841 131282290 /nfs/dbraw/zinc/28/22/90/131282290.db2.gz WOVGOESUKFFSRP-QKLQHJQFSA-N 2 2 309.457 3.704 20 0 DHADLP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000287771335 131299856 /nfs/dbraw/zinc/29/98/56/131299856.db2.gz NSYGSKRPIFDTKY-CYBMUJFWSA-N 2 2 303.837 3.809 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000288952856 131347616 /nfs/dbraw/zinc/34/76/16/131347616.db2.gz AHQMUVIPGAUQAY-FQEVSTJZSA-N 2 2 310.441 3.568 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000288952856 131347618 /nfs/dbraw/zinc/34/76/18/131347618.db2.gz AHQMUVIPGAUQAY-FQEVSTJZSA-N 2 2 310.441 3.568 20 0 DHADLP CCN(CC)[C@@H](C[NH2+]CCCc1c[nH+]ccc1C)c1ccco1 ZINC000289077488 131356283 /nfs/dbraw/zinc/35/62/83/131356283.db2.gz CZMCXKFAQSIQSC-SFHVURJKSA-N 2 2 315.461 3.588 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000289138241 131361276 /nfs/dbraw/zinc/36/12/76/131361276.db2.gz PEYUYZYRECDMNY-LJQANCHMSA-N 2 2 314.404 3.535 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000289138241 131361279 /nfs/dbraw/zinc/36/12/79/131361279.db2.gz PEYUYZYRECDMNY-LJQANCHMSA-N 2 2 314.404 3.535 20 0 DHADLP CCOc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1F ZINC000289241714 131368625 /nfs/dbraw/zinc/36/86/25/131368625.db2.gz LDBSNWMRSIZOCK-UHFFFAOYSA-N 2 2 302.393 3.650 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000289299809 131371756 /nfs/dbraw/zinc/37/17/56/131371756.db2.gz QTNINAAZGAOILV-NRFANRHFSA-N 2 2 320.436 3.799 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000289471842 131388813 /nfs/dbraw/zinc/38/88/13/131388813.db2.gz PPKUROFZAWSEHG-UHFFFAOYSA-N 2 2 322.456 3.774 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000297139986 132001850 /nfs/dbraw/zinc/00/18/50/132001850.db2.gz ZKBVZHSQTFWRQO-HNNXBMFYSA-N 2 2 301.821 3.648 20 0 DHADLP C[C@H]([NH2+]C(C)(C)CN[C@H]1C[C@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000297592469 132023876 /nfs/dbraw/zinc/02/38/76/132023876.db2.gz HPXMPTCIMIODQW-ZOBUZTSGSA-N 2 2 312.461 3.608 20 0 DHADLP Cc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)c1C ZINC000298300581 132055072 /nfs/dbraw/zinc/05/50/72/132055072.db2.gz POOIUOGKNBPOSW-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP Cc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)c1C ZINC000298300581 132055073 /nfs/dbraw/zinc/05/50/73/132055073.db2.gz POOIUOGKNBPOSW-UHFFFAOYSA-N 2 2 306.413 3.516 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000298309654 132056172 /nfs/dbraw/zinc/05/61/72/132056172.db2.gz IIFIXDBYLYOQKV-ZDUSSCGKSA-N 2 2 324.419 3.814 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000298996530 132085391 /nfs/dbraw/zinc/08/53/91/132085391.db2.gz AUYGXBSCQPVWFI-UHFFFAOYSA-N 2 2 301.415 3.548 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000298996530 132085393 /nfs/dbraw/zinc/08/53/93/132085393.db2.gz AUYGXBSCQPVWFI-UHFFFAOYSA-N 2 2 301.415 3.548 20 0 DHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1cc[nH+]c(N)c1 ZINC000299604520 132113462 /nfs/dbraw/zinc/11/34/62/132113462.db2.gz ISMMYGPJZLQYOO-LBPRGKRZSA-N 2 2 304.463 3.745 20 0 DHADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1cc[nH+]c(N)c1 ZINC000299604520 132113463 /nfs/dbraw/zinc/11/34/63/132113463.db2.gz ISMMYGPJZLQYOO-LBPRGKRZSA-N 2 2 304.463 3.745 20 0 DHADLP COCc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119575645 132134814 /nfs/dbraw/zinc/13/48/14/132134814.db2.gz KUOOGEHRSMJCAC-INIZCTEOSA-N 2 2 321.424 3.870 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468549717 335071757 /nfs/dbraw/zinc/07/17/57/335071757.db2.gz WRGDBCBJAZLEFI-JENIJYKNSA-N 2 2 318.505 3.690 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468549717 335071758 /nfs/dbraw/zinc/07/17/58/335071758.db2.gz WRGDBCBJAZLEFI-JENIJYKNSA-N 2 2 318.505 3.690 20 0 DHADLP CCc1cc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nc[nH+]1 ZINC000603381663 435335283 /nfs/dbraw/zinc/33/52/83/435335283.db2.gz GZUDKEXLHGXSFF-INIZCTEOSA-N 2 2 324.472 3.883 20 0 DHADLP CCc1cc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nc[nH+]1 ZINC000603381663 435335288 /nfs/dbraw/zinc/33/52/88/435335288.db2.gz GZUDKEXLHGXSFF-INIZCTEOSA-N 2 2 324.472 3.883 20 0 DHADLP c1ccc(NC2CC[NH+](Cc3cnc4ccccc4c3)CC2)[nH+]c1 ZINC000530807370 331627726 /nfs/dbraw/zinc/62/77/26/331627726.db2.gz DEYTWRTVYVIHFZ-UHFFFAOYSA-N 2 2 318.424 3.706 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000426298209 332037012 /nfs/dbraw/zinc/03/70/12/332037012.db2.gz JGKITAUAMFJRFI-DDTOSNHZSA-N 2 2 310.894 3.851 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000426298209 332037014 /nfs/dbraw/zinc/03/70/14/332037014.db2.gz JGKITAUAMFJRFI-DDTOSNHZSA-N 2 2 310.894 3.851 20 0 DHADLP CSC1(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCC1 ZINC000449352634 332063021 /nfs/dbraw/zinc/06/30/21/332063021.db2.gz XBLUZVRTULKXBS-UHFFFAOYSA-N 2 2 321.877 3.901 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1csc(Cl)c1 ZINC000191139422 332092507 /nfs/dbraw/zinc/09/25/07/332092507.db2.gz FKPZLIUZUCTKMR-UPJWGTAASA-N 2 2 316.898 3.551 20 0 DHADLP FC(F)(F)c1cccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CC2)c1 ZINC000091264072 332102320 /nfs/dbraw/zinc/10/23/20/332102320.db2.gz CYHRSMPRRLQZKQ-OAHLLOKOSA-N 2 2 309.335 3.643 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000448021963 332187565 /nfs/dbraw/zinc/18/75/65/332187565.db2.gz LTPVIFYMEHYGAH-JXQTWKCFSA-N 2 2 306.416 3.818 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000448021963 332187566 /nfs/dbraw/zinc/18/75/66/332187566.db2.gz LTPVIFYMEHYGAH-JXQTWKCFSA-N 2 2 306.416 3.818 20 0 DHADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000584291608 332220300 /nfs/dbraw/zinc/22/03/00/332220300.db2.gz YJIUHCJHFJPNMQ-CJNGLKHVSA-N 2 2 313.470 3.656 20 0 DHADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000584291608 332220301 /nfs/dbraw/zinc/22/03/01/332220301.db2.gz YJIUHCJHFJPNMQ-CJNGLKHVSA-N 2 2 313.470 3.656 20 0 DHADLP c1csc(C[NH+]2CCC([NH2+][C@H]3CCc4ccccc43)CC2)c1 ZINC000363791257 332248440 /nfs/dbraw/zinc/24/84/40/332248440.db2.gz IZRJKKSRSRNBJZ-IBGZPJMESA-N 2 2 312.482 3.990 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)o1 ZINC000363789463 332248632 /nfs/dbraw/zinc/24/86/32/332248632.db2.gz ABHJAFSICRAACE-CQSZACIVSA-N 2 2 304.459 3.965 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)C[N@@H+]1C1CC1 ZINC000560266902 332325346 /nfs/dbraw/zinc/32/53/46/332325346.db2.gz AZPRJWVWMWBCBX-CJNGLKHVSA-N 2 2 304.865 3.934 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCC2)C[N@H+]1C1CC1 ZINC000560266902 332325347 /nfs/dbraw/zinc/32/53/47/332325347.db2.gz AZPRJWVWMWBCBX-CJNGLKHVSA-N 2 2 304.865 3.934 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc(F)ccc1F ZINC000560267517 332325654 /nfs/dbraw/zinc/32/56/54/332325654.db2.gz QRMBLUKIIGLDOT-SFHVURJKSA-N 2 2 319.399 3.985 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000560264995 332326302 /nfs/dbraw/zinc/32/63/02/332326302.db2.gz LNQXCEKLYCFOAZ-QRWLVFNGSA-N 2 2 314.473 3.580 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000560264995 332326304 /nfs/dbraw/zinc/32/63/04/332326304.db2.gz LNQXCEKLYCFOAZ-QRWLVFNGSA-N 2 2 314.473 3.580 20 0 DHADLP Fc1cccc(Cl)c1CCC[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000560277699 332327374 /nfs/dbraw/zinc/32/73/74/332327374.db2.gz UPZWVQJCENLCDK-UHFFFAOYSA-N 2 2 321.827 3.734 20 0 DHADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCNc1cccc[nH+]1 ZINC000560524702 332351216 /nfs/dbraw/zinc/35/12/16/332351216.db2.gz LHDFXXXSBXELLO-CQSZACIVSA-N 2 2 319.399 3.773 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccncc2C)c(C)c1 ZINC000564409132 332390169 /nfs/dbraw/zinc/39/01/69/332390169.db2.gz NOANCKROIORSKL-FQEVSTJZSA-N 2 2 320.440 3.734 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000560910221 332394153 /nfs/dbraw/zinc/39/41/53/332394153.db2.gz OALPOOCROHSPGB-HKUYNNGSSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000560910221 332394155 /nfs/dbraw/zinc/39/41/55/332394155.db2.gz OALPOOCROHSPGB-HKUYNNGSSA-N 2 2 315.505 3.852 20 0 DHADLP CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000427866781 332550696 /nfs/dbraw/zinc/55/06/96/332550696.db2.gz MIJKSUYRJAOWCW-HZPDHXFCSA-N 2 2 303.837 3.982 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(-c2ccncc2)c1 ZINC000427874268 332551875 /nfs/dbraw/zinc/55/18/75/332551875.db2.gz MIRRIEXYQSWGGL-DNVCBOLYSA-N 2 2 318.424 3.611 20 0 DHADLP CC(C)Oc1cccc([C@@H]([NH2+]CCCn2cc[nH+]c2)C(F)F)c1 ZINC000562492547 332597611 /nfs/dbraw/zinc/59/76/11/332597611.db2.gz AEJUVPIKCCMXHR-MRXNPFEDSA-N 2 2 323.387 3.656 20 0 DHADLP CC(C)[C@@H](C[NH2+]Cc1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000518768326 333051446 /nfs/dbraw/zinc/05/14/46/333051446.db2.gz QOTICXLSAMADLB-LJQANCHMSA-N 2 2 314.498 3.921 20 0 DHADLP CC(C)[C@@H](C[NH2+]Cc1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000518768326 333051447 /nfs/dbraw/zinc/05/14/47/333051447.db2.gz QOTICXLSAMADLB-LJQANCHMSA-N 2 2 314.498 3.921 20 0 DHADLP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000366822714 335122261 /nfs/dbraw/zinc/12/22/61/335122261.db2.gz JJCWAUDAYUPLQP-VAMGGRTRSA-N 2 2 315.505 3.852 20 0 DHADLP CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000366822714 335122262 /nfs/dbraw/zinc/12/22/62/335122262.db2.gz JJCWAUDAYUPLQP-VAMGGRTRSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000188029123 333157201 /nfs/dbraw/zinc/15/72/01/333157201.db2.gz JEPICNGUGCTAEN-ZIAGYGMSSA-N 2 2 306.416 3.962 20 0 DHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000387684921 333158860 /nfs/dbraw/zinc/15/88/60/333158860.db2.gz FVVLQKXNQGAZCL-OPRRPXDXSA-N 2 2 301.478 3.858 20 0 DHADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000582043259 333183213 /nfs/dbraw/zinc/18/32/13/333183213.db2.gz TWXZAOLTTVBREP-OREBXVKISA-N 2 2 304.478 3.532 20 0 DHADLP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000117395441 333199457 /nfs/dbraw/zinc/19/94/57/333199457.db2.gz CGYVRBOPHLKHOG-NVXWUHKLSA-N 2 2 301.459 3.636 20 0 DHADLP CC(C)CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000318754872 333207134 /nfs/dbraw/zinc/20/71/34/333207134.db2.gz BFLOGZGBKLKJJF-GOSISDBHSA-N 2 2 301.478 3.855 20 0 DHADLP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)c(F)c1 ZINC000570953442 333208551 /nfs/dbraw/zinc/20/85/51/333208551.db2.gz SKHXHHCPBXQKDT-GOSISDBHSA-N 2 2 317.408 3.552 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000390194404 333244376 /nfs/dbraw/zinc/24/43/76/333244376.db2.gz HZCKGWLSBSCVLB-UHFFFAOYSA-N 2 2 304.409 3.906 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000390194404 333244378 /nfs/dbraw/zinc/24/43/78/333244378.db2.gz HZCKGWLSBSCVLB-UHFFFAOYSA-N 2 2 304.409 3.906 20 0 DHADLP C[C@H]1C[N@H+](CCSc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000094341837 333304045 /nfs/dbraw/zinc/30/40/45/333304045.db2.gz CQGWRBWMQYPVIN-GWCFXTLKSA-N 2 2 319.301 3.755 20 0 DHADLP C[C@H]1C[N@@H+](CCSc2cc(Cl)ccc2Cl)CC[C@@H]1[NH3+] ZINC000094341837 333304047 /nfs/dbraw/zinc/30/40/47/333304047.db2.gz CQGWRBWMQYPVIN-GWCFXTLKSA-N 2 2 319.301 3.755 20 0 DHADLP Cc1cc(F)ccc1C[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390678097 333313852 /nfs/dbraw/zinc/31/38/52/333313852.db2.gz WJBFBQGMDQFCKC-INIZCTEOSA-N 2 2 300.421 3.744 20 0 DHADLP Cc1cc(F)ccc1C[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390678097 333313853 /nfs/dbraw/zinc/31/38/53/333313853.db2.gz WJBFBQGMDQFCKC-INIZCTEOSA-N 2 2 300.421 3.744 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccsc2Br)c2ccccc21 ZINC000388566403 333357782 /nfs/dbraw/zinc/35/77/82/333357782.db2.gz UUYMMGFRVBRWSI-CHWSQXEVSA-N 2 2 323.259 3.745 20 0 DHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1 ZINC000186838400 333379593 /nfs/dbraw/zinc/37/95/93/333379593.db2.gz FIENCEYTYRBPBV-GOSISDBHSA-N 2 2 313.420 3.930 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000121967397 333389701 /nfs/dbraw/zinc/38/97/01/333389701.db2.gz GUYVFORNPFQFOQ-OAHLLOKOSA-N 2 2 313.420 3.849 20 0 DHADLP C[C@H]([NH2+]CC1(O)CCCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122307011 333394223 /nfs/dbraw/zinc/39/42/23/333394223.db2.gz RDHXTHRIVCCGLZ-INIZCTEOSA-N 2 2 313.445 3.608 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(CSC(F)F)o1)C[NH+]1CCCC1 ZINC000057994451 333398139 /nfs/dbraw/zinc/39/81/39/333398139.db2.gz NLGWDCPJONBPNX-GFCCVEGCSA-N 2 2 318.433 3.557 20 0 DHADLP C[NH+](C)Cc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000124553648 333495622 /nfs/dbraw/zinc/49/56/22/333495622.db2.gz ZITIHVHTYGPJQR-UHFFFAOYSA-N 2 2 306.413 3.546 20 0 DHADLP c1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000124837701 333500967 /nfs/dbraw/zinc/50/09/67/333500967.db2.gz WXELLJRLLJSPOV-FQEVSTJZSA-N 2 2 307.441 3.791 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000531688825 333545041 /nfs/dbraw/zinc/54/50/41/333545041.db2.gz VASJRPBMNVLCOU-VLIAUNLRSA-N 2 2 305.425 3.868 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)[NH+](C)C)cc1 ZINC000531707762 333548560 /nfs/dbraw/zinc/54/85/60/333548560.db2.gz YSWFDBJTMLUDJL-DLBZAZTESA-N 2 2 304.478 3.533 20 0 DHADLP Cc1ccc2ncc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2c1 ZINC000411313119 333653321 /nfs/dbraw/zinc/65/33/21/333653321.db2.gz WUKIBXLBEZJNQS-UHFFFAOYSA-N 2 2 306.413 3.577 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000571204689 333682315 /nfs/dbraw/zinc/68/23/15/333682315.db2.gz RBMYMRZFDAPTIA-HNNXBMFYSA-N 2 2 307.397 3.938 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c[nH+]1 ZINC000430115650 333812896 /nfs/dbraw/zinc/81/28/96/333812896.db2.gz AJVAZTDFYJVBDV-KSSFIOAISA-N 2 2 316.470 3.676 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)c1 ZINC000414130714 333899777 /nfs/dbraw/zinc/89/97/77/333899777.db2.gz XQHYGIYDXYBAQJ-AWEZNQCLSA-N 2 2 310.228 3.547 20 0 DHADLP CCCCCOc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000414153189 333904207 /nfs/dbraw/zinc/90/42/07/333904207.db2.gz YSAOWGWVPJXCJN-MRXNPFEDSA-N 2 2 315.461 3.882 20 0 DHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000414549506 334015498 /nfs/dbraw/zinc/01/54/98/334015498.db2.gz ATSQKPRICFGKEH-ICSRJNTNSA-N 2 2 310.441 3.725 20 0 DHADLP CC(C)C[C@@H]([NH3+])c1noc(-c2ccccc2Oc2cc[nH+]cc2)n1 ZINC000414613147 334040545 /nfs/dbraw/zinc/04/05/45/334040545.db2.gz FMBPRANEPFJHRR-OAHLLOKOSA-N 2 2 324.384 3.970 20 0 DHADLP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@@H+]1CCC[NH2+]CC1 ZINC000414651664 334055129 /nfs/dbraw/zinc/05/51/29/334055129.db2.gz FSBYMXYTVOJKEI-XBXARRHUSA-N 2 2 322.452 3.574 20 0 DHADLP C(=C/c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CCC[NH2+]CC1 ZINC000414651664 334055130 /nfs/dbraw/zinc/05/51/30/334055130.db2.gz FSBYMXYTVOJKEI-XBXARRHUSA-N 2 2 322.452 3.574 20 0 DHADLP C[N@H+](CCCC(C)(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000275513417 334071577 /nfs/dbraw/zinc/07/15/77/334071577.db2.gz XPTOIKLTLPXVAJ-UHFFFAOYSA-N 2 2 317.521 3.847 20 0 DHADLP C[N@@H+](CCCC(C)(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000275513417 334071578 /nfs/dbraw/zinc/07/15/78/334071578.db2.gz XPTOIKLTLPXVAJ-UHFFFAOYSA-N 2 2 317.521 3.847 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CC3 ZINC000414829338 334110079 /nfs/dbraw/zinc/11/00/79/334110079.db2.gz KPNOHYPNUIOGGN-VQIMIIECSA-N 2 2 319.452 3.623 20 0 DHADLP [NH3+]C1(C[NH2+]Cc2nc(-c3ccccc3)cs2)CCCCC1 ZINC000414835572 334111403 /nfs/dbraw/zinc/11/14/03/334111403.db2.gz DKLMWAMHZUFUSV-UHFFFAOYSA-N 2 2 301.459 3.561 20 0 DHADLP Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000575069395 334118644 /nfs/dbraw/zinc/11/86/44/334118644.db2.gz ZHSJLNCFMJLSOI-QGZVFWFLSA-N 2 2 305.425 3.871 20 0 DHADLP Cc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000575069395 334118645 /nfs/dbraw/zinc/11/86/45/334118645.db2.gz ZHSJLNCFMJLSOI-QGZVFWFLSA-N 2 2 305.425 3.871 20 0 DHADLP Cc1nc(C)c(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000414849567 334121969 /nfs/dbraw/zinc/12/19/69/334121969.db2.gz RNGMFGNSBIXXOD-MRXNPFEDSA-N 2 2 303.475 3.673 20 0 DHADLP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414850033 334123031 /nfs/dbraw/zinc/12/30/31/334123031.db2.gz RXODURZXFYRERC-IBGZPJMESA-N 2 2 314.477 3.685 20 0 DHADLP Clc1cccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1Cl ZINC000414879563 334149120 /nfs/dbraw/zinc/14/91/20/334149120.db2.gz PBJODWBPHVSVGJ-UHFFFAOYSA-N 2 2 324.255 3.658 20 0 DHADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000414934377 334197007 /nfs/dbraw/zinc/19/70/07/334197007.db2.gz VGCJBMVHHFPXIL-LJQANCHMSA-N 2 2 309.457 3.616 20 0 DHADLP Cc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414959626 334210838 /nfs/dbraw/zinc/21/08/38/334210838.db2.gz XLRAADNHMJQSKH-CZUORRHYSA-N 2 2 322.424 3.570 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccccc2OC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000294874115 334214047 /nfs/dbraw/zinc/21/40/47/334214047.db2.gz DNAHANXJXBJTRF-CRAIPNDOSA-N 2 2 311.429 3.507 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccccc2OC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000294874115 334214048 /nfs/dbraw/zinc/21/40/48/334214048.db2.gz DNAHANXJXBJTRF-CRAIPNDOSA-N 2 2 311.429 3.507 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000415086402 334273519 /nfs/dbraw/zinc/27/35/19/334273519.db2.gz JPEMCYTWUMGSJY-UKRRQHHQSA-N 2 2 300.377 3.631 20 0 DHADLP CSc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000340579096 334243445 /nfs/dbraw/zinc/24/34/45/334243445.db2.gz MSPPMJPONUOWES-CYBMUJFWSA-N 2 2 321.515 3.658 20 0 DHADLP CSc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000340579096 334243447 /nfs/dbraw/zinc/24/34/47/334243447.db2.gz MSPPMJPONUOWES-CYBMUJFWSA-N 2 2 321.515 3.658 20 0 DHADLP c1c2ccccc2sc1C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415038522 334260702 /nfs/dbraw/zinc/26/07/02/334260702.db2.gz HWNKWBDJJUZKDY-ZWKOTPCHSA-N 2 2 308.450 3.747 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnc(C(C)C)s1 ZINC000415043133 334260906 /nfs/dbraw/zinc/26/09/06/334260906.db2.gz AGGSPFYKYSQYOI-MRXNPFEDSA-N 2 2 303.475 3.619 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000415065859 334262418 /nfs/dbraw/zinc/26/24/18/334262418.db2.gz NRYMTAKPRJQIMR-QGZVFWFLSA-N 2 2 315.486 3.763 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc2ncccc2c1 ZINC000415061701 334262422 /nfs/dbraw/zinc/26/24/22/334262422.db2.gz DCKNZIJYEUABOR-IBGZPJMESA-N 2 2 305.425 3.587 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000415066320 334262713 /nfs/dbraw/zinc/26/27/13/334262713.db2.gz OJIFMMCUQWOJSJ-LJQANCHMSA-N 2 2 323.415 3.726 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C/C=C\c1ccccc1OC ZINC000415070340 334262794 /nfs/dbraw/zinc/26/27/94/334262794.db2.gz URTHMLHMJAKKAH-SCEWNMGZSA-N 2 2 310.441 3.560 20 0 DHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000415080001 334269577 /nfs/dbraw/zinc/26/95/77/334269577.db2.gz KUFOJCGSDARMMF-BBRMVZONSA-N 2 2 315.486 3.830 20 0 DHADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000415115074 334283577 /nfs/dbraw/zinc/28/35/77/334283577.db2.gz TYMORUBIEAVKCJ-HZSPNIEDSA-N 2 2 307.507 3.593 20 0 DHADLP CCc1cccc(Cl)c1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000563677082 334285579 /nfs/dbraw/zinc/28/55/79/334285579.db2.gz ZRZCJCVRAGJIMJ-UHFFFAOYSA-N 2 2 303.837 3.725 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000531932689 334296978 /nfs/dbraw/zinc/29/69/78/334296978.db2.gz YKALLBNHAJYARF-NHYWBVRUSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000531932689 334296980 /nfs/dbraw/zinc/29/69/80/334296980.db2.gz YKALLBNHAJYARF-NHYWBVRUSA-N 2 2 301.261 3.813 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1sccc1Br ZINC000049554373 334350098 /nfs/dbraw/zinc/35/00/98/334350098.db2.gz ZGVJQGDDHJOKDA-NXEZZACHSA-N 2 2 305.285 3.501 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c2ccccc12 ZINC000531984231 334359139 /nfs/dbraw/zinc/35/91/39/334359139.db2.gz PIPHDVCYUGROGZ-HZPDHXFCSA-N 2 2 312.457 3.841 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c2ccccc12 ZINC000531984231 334359140 /nfs/dbraw/zinc/35/91/40/334359140.db2.gz PIPHDVCYUGROGZ-HZPDHXFCSA-N 2 2 312.457 3.841 20 0 DHADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000531988509 334362203 /nfs/dbraw/zinc/36/22/03/334362203.db2.gz OLWTYOLSFNDZRF-CVEARBPZSA-N 2 2 313.445 3.737 20 0 DHADLP Clc1cccc2c1CC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000531989117 334365179 /nfs/dbraw/zinc/36/51/79/334365179.db2.gz DXTJVFKMIQLAHZ-QGZVFWFLSA-N 2 2 311.816 3.807 20 0 DHADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000531994694 334369253 /nfs/dbraw/zinc/36/92/53/334369253.db2.gz UWLQQGAKFQXIQZ-DUXKGJEZSA-N 2 2 308.469 3.553 20 0 DHADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000531994694 334369255 /nfs/dbraw/zinc/36/92/55/334369255.db2.gz UWLQQGAKFQXIQZ-DUXKGJEZSA-N 2 2 308.469 3.553 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCCn1cc[nH+]c1 ZINC000342117177 334511198 /nfs/dbraw/zinc/51/11/98/334511198.db2.gz HFJJGUJSGHFNOU-GXDHUFHOSA-N 2 2 323.362 3.985 20 0 DHADLP Clc1cccc2c(N3CC[NH+](C4CCC4)CC3)cc[nH+]c12 ZINC000342132705 334513013 /nfs/dbraw/zinc/51/30/13/334513013.db2.gz QGUCYMVYBRQUSI-UHFFFAOYSA-N 2 2 301.821 3.563 20 0 DHADLP c1c[nH+]c(C2CC[NH+](Cc3ncc(-c4ccccc4)s3)CC2)[nH]1 ZINC000342642707 334557379 /nfs/dbraw/zinc/55/73/79/334557379.db2.gz YUSYMJPMISJQTC-UHFFFAOYSA-N 2 2 324.453 3.913 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H]1SC)c1cccc(OC)c1 ZINC000425333389 334802540 /nfs/dbraw/zinc/80/25/40/334802540.db2.gz BZSSHDDFADEHHQ-KURKYZTESA-N 2 2 322.518 3.562 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000343839357 335200990 /nfs/dbraw/zinc/20/09/90/335200990.db2.gz MHOVHZMPYSCCDE-HBNTYKKESA-N 2 2 321.412 3.685 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000343839354 335201038 /nfs/dbraw/zinc/20/10/38/335201038.db2.gz MHOVHZMPYSCCDE-AXFHLTTASA-N 2 2 321.412 3.685 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(C)o1 ZINC000344148875 335221967 /nfs/dbraw/zinc/22/19/67/335221967.db2.gz FEFYDFPTHVSYRT-LBPRGKRZSA-N 2 2 301.415 3.994 20 0 DHADLP CCC1(CC)[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1OC ZINC000344111095 335224223 /nfs/dbraw/zinc/22/42/23/335224223.db2.gz UJSWDRRGABRILT-ROUUACIJSA-N 2 2 313.445 3.556 20 0 DHADLP CC[C@@](C)([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1nccs1 ZINC000344201860 335224835 /nfs/dbraw/zinc/22/48/35/335224835.db2.gz YKCWQNNHDLDEKB-OAHLLOKOSA-N 2 2 318.471 3.805 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000366870985 335258607 /nfs/dbraw/zinc/25/86/07/335258607.db2.gz FNNLOAZYHOHHTM-UHFFFAOYSA-N 2 2 324.415 3.703 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000345228271 335310291 /nfs/dbraw/zinc/31/02/91/335310291.db2.gz YEFQBRRILJNOTJ-ZIAGYGMSSA-N 2 2 303.475 3.801 20 0 DHADLP CC(C)[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000346174131 335377825 /nfs/dbraw/zinc/37/78/25/335377825.db2.gz NQCYUXTWTKXYMY-HNNXBMFYSA-N 2 2 307.488 3.507 20 0 DHADLP CC(C)[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000346174131 335377827 /nfs/dbraw/zinc/37/78/27/335377827.db2.gz NQCYUXTWTKXYMY-HNNXBMFYSA-N 2 2 307.488 3.507 20 0 DHADLP FC(F)(F)[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346131595 335379604 /nfs/dbraw/zinc/37/96/04/335379604.db2.gz KNUICYKUOURMSW-LLVKDONJSA-N 2 2 315.364 3.708 20 0 DHADLP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346131595 335379605 /nfs/dbraw/zinc/37/96/05/335379605.db2.gz KNUICYKUOURMSW-LLVKDONJSA-N 2 2 315.364 3.708 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CC[C@H]3Cc3ccccc3)c2)c[nH+]1 ZINC000346165653 335384232 /nfs/dbraw/zinc/38/42/32/335384232.db2.gz IIUVGPPUOLNRTF-INIZCTEOSA-N 2 2 309.438 3.751 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CC[C@H]3Cc3ccccc3)c2)c[nH+]1 ZINC000346165653 335384233 /nfs/dbraw/zinc/38/42/33/335384233.db2.gz IIUVGPPUOLNRTF-INIZCTEOSA-N 2 2 309.438 3.751 20 0 DHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)c(F)c1 ZINC000346204033 335390173 /nfs/dbraw/zinc/39/01/73/335390173.db2.gz KFRAKJYYXVGNOG-UHFFFAOYSA-N 2 2 319.380 3.844 20 0 DHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)c(F)c1 ZINC000346204033 335390175 /nfs/dbraw/zinc/39/01/75/335390175.db2.gz KFRAKJYYXVGNOG-UHFFFAOYSA-N 2 2 319.380 3.844 20 0 DHADLP Cc1cc[nH+]cc1CCCN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000347648958 335517382 /nfs/dbraw/zinc/51/73/82/335517382.db2.gz ZCBPVAKJMNZPPU-BJLQDIEVSA-N 2 2 315.505 3.660 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCC12CCOCC2)c1ccccc1 ZINC000367057504 335605456 /nfs/dbraw/zinc/60/54/56/335605456.db2.gz KEQXIIACKPPFJS-WMZOPIPTSA-N 2 2 316.489 3.665 20 0 DHADLP Cc1ccc(CCC[NH2+]CCc2nc3ccccc3s2)c[nH+]1 ZINC000348933676 335622104 /nfs/dbraw/zinc/62/21/04/335622104.db2.gz JXDHEYXQENAZEM-UHFFFAOYSA-N 2 2 311.454 3.765 20 0 DHADLP COc1ccccc1[C@@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000351271130 336025272 /nfs/dbraw/zinc/02/52/72/336025272.db2.gz QPHWMLBXPJTFKT-GOSISDBHSA-N 2 2 310.441 3.821 20 0 DHADLP COc1ccccc1[C@@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000351271130 336025274 /nfs/dbraw/zinc/02/52/74/336025274.db2.gz QPHWMLBXPJTFKT-GOSISDBHSA-N 2 2 310.441 3.821 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000351847542 336073206 /nfs/dbraw/zinc/07/32/06/336073206.db2.gz AILITVAHJMHXNN-CZUORRHYSA-N 2 2 315.486 3.542 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000351847542 336073208 /nfs/dbraw/zinc/07/32/08/336073208.db2.gz AILITVAHJMHXNN-CZUORRHYSA-N 2 2 315.486 3.542 20 0 DHADLP COc1cc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)ccc1C ZINC000194324008 338514413 /nfs/dbraw/zinc/51/44/13/338514413.db2.gz JVZWYOXQYBMJRH-UHFFFAOYSA-N 2 2 323.440 3.613 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352243080 336206077 /nfs/dbraw/zinc/20/60/77/336206077.db2.gz WRXYSUNUIVAVSA-KRWDZBQOSA-N 2 2 303.475 3.692 20 0 DHADLP C[N@H+](CC[NH2+]Cc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000395639189 336220396 /nfs/dbraw/zinc/22/03/96/336220396.db2.gz JNLANINATAERMT-UHFFFAOYSA-N 2 2 322.374 3.927 20 0 DHADLP C[N@@H+](CC[NH2+]Cc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000395639189 336220397 /nfs/dbraw/zinc/22/03/97/336220397.db2.gz JNLANINATAERMT-UHFFFAOYSA-N 2 2 322.374 3.927 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000352503180 336222056 /nfs/dbraw/zinc/22/20/56/336222056.db2.gz CKDITJIYWRVITJ-INIZCTEOSA-N 2 2 319.449 3.653 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000352503180 336222057 /nfs/dbraw/zinc/22/20/57/336222057.db2.gz CKDITJIYWRVITJ-INIZCTEOSA-N 2 2 319.449 3.653 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000352540304 336223305 /nfs/dbraw/zinc/22/33/05/336223305.db2.gz JKWMFCGOKBKSBX-CYBMUJFWSA-N 2 2 304.331 3.548 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1F ZINC000352540304 336223306 /nfs/dbraw/zinc/22/33/06/336223306.db2.gz JKWMFCGOKBKSBX-CYBMUJFWSA-N 2 2 304.331 3.548 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H](C)C2 ZINC000352736149 336232946 /nfs/dbraw/zinc/23/29/46/336232946.db2.gz KHZLSSSECPBSPM-ACJLOTCBSA-N 2 2 315.486 3.536 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000532442048 336247519 /nfs/dbraw/zinc/24/75/19/336247519.db2.gz HCYJVMADVWCJTE-UXHICEINSA-N 2 2 316.489 3.618 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000532463460 336249149 /nfs/dbraw/zinc/24/91/49/336249149.db2.gz WTZKGRNQMQQPLK-XHDPSFHLSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000532463460 336249150 /nfs/dbraw/zinc/24/91/50/336249150.db2.gz WTZKGRNQMQQPLK-XHDPSFHLSA-N 2 2 301.261 3.813 20 0 DHADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC000532530993 336253775 /nfs/dbraw/zinc/25/37/75/336253775.db2.gz BKRAKJRIGNMFRT-BEFAXECRSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)[C@]1(C)CCCO1)c1ccccc1 ZINC000580352335 336258934 /nfs/dbraw/zinc/25/89/34/336258934.db2.gz PUKWPZHBROVFNW-BXWFABGCSA-N 2 2 304.478 3.663 20 0 DHADLP FC(F)c1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000526983986 336277288 /nfs/dbraw/zinc/27/72/88/336277288.db2.gz NXPGCUPGLZGGFZ-UHFFFAOYSA-N 2 2 301.340 3.604 20 0 DHADLP Cc1nc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c(C)c(C)[nH+]1 ZINC000301453519 336307749 /nfs/dbraw/zinc/30/77/49/336307749.db2.gz VGWWTVLCEOAGRL-UHFFFAOYSA-N 2 2 321.428 3.662 20 0 DHADLP c1cc(NC2CCC([NH+]3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000301568050 336315525 /nfs/dbraw/zinc/31/55/25/336315525.db2.gz XAMLKSRUUBWQKO-UHFFFAOYSA-N 2 2 300.450 3.563 20 0 DHADLP C[NH+](C)Cc1cc(CNc2cc[nH+]c(C(C)(C)C)n2)ccc1F ZINC000301601643 336317716 /nfs/dbraw/zinc/31/77/16/336317716.db2.gz VOYZSMHMTIYMMQ-UHFFFAOYSA-N 2 2 316.424 3.587 20 0 DHADLP Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000301662094 336321646 /nfs/dbraw/zinc/32/16/46/336321646.db2.gz JVNMWBRITMKTAN-MRXNPFEDSA-N 2 2 313.376 3.990 20 0 DHADLP C[C@@H]1CCN(c2cc[nH+]c3cc(F)ccc32)C[C@H]1n1cc[nH+]c1 ZINC000301663511 336321694 /nfs/dbraw/zinc/32/16/94/336321694.db2.gz YRSRROHKKWFIRP-FZKQIMNGSA-N 2 2 310.376 3.658 20 0 DHADLP Cc1nc(NC[C@H](c2cccs2)[NH+]2CCCC2)c(C)c(C)[nH+]1 ZINC000301677441 336322790 /nfs/dbraw/zinc/32/27/90/336322790.db2.gz ICYSVHNKFPFJMW-OAHLLOKOSA-N 2 2 316.474 3.712 20 0 DHADLP Cc1nc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(C)c(C)[nH+]1 ZINC000301677440 336322801 /nfs/dbraw/zinc/32/28/01/336322801.db2.gz ICYSVHNKFPFJMW-HNNXBMFYSA-N 2 2 316.474 3.712 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000301731016 336326282 /nfs/dbraw/zinc/32/62/82/336326282.db2.gz SJYCZPRFCARIHT-KSSFIOAISA-N 2 2 306.413 3.827 20 0 DHADLP C[N@H+](Cc1ccccc1)CC(C)(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000301808975 336331605 /nfs/dbraw/zinc/33/16/05/336331605.db2.gz GIXJJVKRLFBTIN-UHFFFAOYSA-N 2 2 310.445 3.677 20 0 DHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000301808975 336331606 /nfs/dbraw/zinc/33/16/06/336331606.db2.gz GIXJJVKRLFBTIN-UHFFFAOYSA-N 2 2 310.445 3.677 20 0 DHADLP Cc1ccc(CNc2cc[nH+]cc2Cl)c(N2CCCC2)[nH+]1 ZINC000302036071 336344591 /nfs/dbraw/zinc/34/45/91/336344591.db2.gz FMRXFKQNTGLFDC-UHFFFAOYSA-N 2 2 302.809 3.651 20 0 DHADLP Cc1cccc(CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000352904932 336375683 /nfs/dbraw/zinc/37/56/83/336375683.db2.gz VTFPCZQFYFLRKI-WIYYLYMNSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cccc(CCC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000352904932 336375684 /nfs/dbraw/zinc/37/56/84/336375684.db2.gz VTFPCZQFYFLRKI-WIYYLYMNSA-N 2 2 323.484 3.575 20 0 DHADLP COCC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C)o1 ZINC000352970229 336380206 /nfs/dbraw/zinc/38/02/06/336380206.db2.gz UPUHDYZDTIFEFN-MRXNPFEDSA-N 2 2 308.466 3.518 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000353050008 336391601 /nfs/dbraw/zinc/39/16/01/336391601.db2.gz UPQUPGYLJMAUGE-HIFRSBDPSA-N 2 2 312.379 3.582 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000353050008 336391602 /nfs/dbraw/zinc/39/16/02/336391602.db2.gz UPQUPGYLJMAUGE-HIFRSBDPSA-N 2 2 312.379 3.582 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)C12CCCC2 ZINC000354410042 336469783 /nfs/dbraw/zinc/46/97/83/336469783.db2.gz MFRKXISAMGDQSL-QZTJIDSGSA-N 2 2 302.462 3.650 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2ncc(-c3ccccc3)cn2)c[nH+]1 ZINC000354641456 336477412 /nfs/dbraw/zinc/47/74/12/336477412.db2.gz ZEKIRSNHRPIDMD-UHFFFAOYSA-N 2 2 318.424 3.569 20 0 DHADLP Cc1cnc(C2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)s1 ZINC000355136107 336496113 /nfs/dbraw/zinc/49/61/13/336496113.db2.gz PTPKEVLUNJXGOA-UHFFFAOYSA-N 2 2 315.486 3.967 20 0 DHADLP COCC(C)(C)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000355485438 336511295 /nfs/dbraw/zinc/51/12/95/336511295.db2.gz LTJVPYNEFGWTSL-UHFFFAOYSA-N 2 2 315.461 3.654 20 0 DHADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(C)ccc1OC ZINC000357800447 336599374 /nfs/dbraw/zinc/59/93/74/336599374.db2.gz WHEKXGWUWNWAFH-KRWDZBQOSA-N 2 2 313.445 3.942 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358318687 336623780 /nfs/dbraw/zinc/62/37/80/336623780.db2.gz MYIJPALBJXISAT-NVXWUHKLSA-N 2 2 311.429 3.625 20 0 DHADLP COCCC[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000358342693 336625018 /nfs/dbraw/zinc/62/50/18/336625018.db2.gz GHJOTXRVHCATTC-HKUYNNGSSA-N 2 2 315.461 3.646 20 0 DHADLP c1cn(-c2csc(C[NH2+]C3(Cc4ccccc4)CC3)c2)c[nH+]1 ZINC000358959262 336649565 /nfs/dbraw/zinc/64/95/65/336649565.db2.gz ABOBQUSGFIOKIS-UHFFFAOYSA-N 2 2 309.438 3.799 20 0 DHADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000361093671 336738309 /nfs/dbraw/zinc/73/83/09/336738309.db2.gz BQMUCFKASUHARE-NQIIRXRSSA-N 2 2 324.468 3.532 20 0 DHADLP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1(C)C ZINC000361240016 336746175 /nfs/dbraw/zinc/74/61/75/336746175.db2.gz ZNERXNRMHJQELY-QZTJIDSGSA-N 2 2 313.445 3.554 20 0 DHADLP CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361765186 336771998 /nfs/dbraw/zinc/77/19/98/336771998.db2.gz JYVLMZPXPNDBQJ-INIZCTEOSA-N 2 2 320.440 3.989 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](c3ccccc3)[C@H]1C)CCC2 ZINC000361896131 336777355 /nfs/dbraw/zinc/77/73/55/336777355.db2.gz FSPDOXGAUOXPRN-QXCFHYIPSA-N 2 2 309.457 3.851 20 0 DHADLP CSC1(C[NH2+]C2CC[NH+](Cc3ccsc3)CC2)CCC1 ZINC000368226269 336840790 /nfs/dbraw/zinc/84/07/90/336840790.db2.gz KLOZHNXXBYLKJL-UHFFFAOYSA-N 2 2 310.532 3.588 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1)CCC2 ZINC000368662438 336850404 /nfs/dbraw/zinc/85/04/04/336850404.db2.gz IDTDXEFCXZMYJS-CQSZACIVSA-N 2 2 323.362 3.878 20 0 DHADLP COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000372950409 336943647 /nfs/dbraw/zinc/94/36/47/336943647.db2.gz QHUIUXWWUXCINV-CQSZACIVSA-N 2 2 319.836 3.521 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3cccs3)C2)CC1 ZINC000373491074 336962125 /nfs/dbraw/zinc/96/21/25/336962125.db2.gz SZEVHOXIHZKXLB-UHFFFAOYSA-N 2 2 318.408 3.643 20 0 DHADLP CC1(C)CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373493540 336962245 /nfs/dbraw/zinc/96/22/45/336962245.db2.gz IMFSHVOAOHEAAD-NFOMZHRRSA-N 2 2 318.427 3.960 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1OC(F)F ZINC000373521675 336963678 /nfs/dbraw/zinc/96/36/78/336963678.db2.gz KXERYFSIKMTBLW-NFOMZHRRSA-N 2 2 324.415 3.956 20 0 DHADLP FC(F)(F)c1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374208458 336983804 /nfs/dbraw/zinc/98/38/04/336983804.db2.gz LZPKXKNLNJVDGQ-UHFFFAOYSA-N 2 2 309.335 3.808 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCc1ccc(F)cc1)CCC2 ZINC000374576644 336992883 /nfs/dbraw/zinc/99/28/83/336992883.db2.gz PPBWYDALQGFRKS-RHSMWYFYSA-N 2 2 315.436 3.819 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1csc(C(C)C)n1)CCC2 ZINC000375093549 337003182 /nfs/dbraw/zinc/00/31/82/337003182.db2.gz FIEOANRTKXSTEU-UONOGXRCSA-N 2 2 318.490 4.000 20 0 DHADLP CC(C)(C)c1cnc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)s1 ZINC000375668834 337016171 /nfs/dbraw/zinc/01/61/71/337016171.db2.gz LBNOSXBIWIEBPN-UHFFFAOYSA-N 2 2 321.534 3.937 20 0 DHADLP C[C@H]1C[C@H](Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)CC[N@@H+]1C ZINC000376168784 337028822 /nfs/dbraw/zinc/02/88/22/337028822.db2.gz YCCDTDWFINMKGF-MAUKXSAKSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@H]1C[C@H](Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)CC[N@H+]1C ZINC000376168784 337028823 /nfs/dbraw/zinc/02/88/23/337028823.db2.gz YCCDTDWFINMKGF-MAUKXSAKSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000376416990 337033001 /nfs/dbraw/zinc/03/30/01/337033001.db2.gz VSGOJGOYEHQOGP-OTBHMBEGSA-N 2 2 316.489 3.759 20 0 DHADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCS3)CC2)cc1 ZINC000168691696 337035836 /nfs/dbraw/zinc/03/58/36/337035836.db2.gz LEPVYBHGCWTWNR-QGZVFWFLSA-N 2 2 324.921 3.790 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000376840532 337042501 /nfs/dbraw/zinc/04/25/01/337042501.db2.gz DCBPWAJERDKWAH-JKSUJKDBSA-N 2 2 318.427 3.962 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000376858121 337042835 /nfs/dbraw/zinc/04/28/35/337042835.db2.gz UMDVASFZHMBERD-LJQANCHMSA-N 2 2 324.403 3.529 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000376858121 337042836 /nfs/dbraw/zinc/04/28/36/337042836.db2.gz UMDVASFZHMBERD-LJQANCHMSA-N 2 2 324.403 3.529 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377367114 337051202 /nfs/dbraw/zinc/05/12/02/337051202.db2.gz BTWAKMNYACSDFW-VDGAXYAQSA-N 2 2 309.457 3.767 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377367114 337051203 /nfs/dbraw/zinc/05/12/03/337051203.db2.gz BTWAKMNYACSDFW-VDGAXYAQSA-N 2 2 309.457 3.767 20 0 DHADLP C[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377367114 337051204 /nfs/dbraw/zinc/05/12/04/337051204.db2.gz BTWAKMNYACSDFW-VDGAXYAQSA-N 2 2 309.457 3.767 20 0 DHADLP C[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377367114 337051205 /nfs/dbraw/zinc/05/12/05/337051205.db2.gz BTWAKMNYACSDFW-VDGAXYAQSA-N 2 2 309.457 3.767 20 0 DHADLP C[C@H]1CSC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000377403421 337051998 /nfs/dbraw/zinc/05/19/98/337051998.db2.gz SSUQTRUECYNECE-SUMWQHHRSA-N 2 2 324.921 3.646 20 0 DHADLP COc1c(C)cc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000377798664 337061344 /nfs/dbraw/zinc/06/13/44/337061344.db2.gz LFBWXRKCYVZGBG-YPMHNXCESA-N 2 2 319.836 3.588 20 0 DHADLP COc1c(C)cc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000377798664 337061345 /nfs/dbraw/zinc/06/13/45/337061345.db2.gz LFBWXRKCYVZGBG-YPMHNXCESA-N 2 2 319.836 3.588 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2csc(Cl)c2Cl)C1 ZINC000377888065 337063324 /nfs/dbraw/zinc/06/33/24/337063324.db2.gz IHZDKUGXDGTHJM-VIFPVBQESA-N 2 2 316.257 3.778 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2csc(Cl)c2Cl)C1 ZINC000377888065 337063325 /nfs/dbraw/zinc/06/33/25/337063325.db2.gz IHZDKUGXDGTHJM-VIFPVBQESA-N 2 2 316.257 3.778 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCc1cccc(F)c1)CCC2 ZINC000378183251 337067971 /nfs/dbraw/zinc/06/79/71/337067971.db2.gz LAPVDWLESGPFCI-RHSMWYFYSA-N 2 2 315.436 3.819 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CC3CCCCC3)[C@H](C)C2)s1 ZINC000378243577 337068615 /nfs/dbraw/zinc/06/86/15/337068615.db2.gz NJTQIHRURGYBHL-KDOFPFPSSA-N 2 2 321.534 3.832 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CC3CCCCC3)[C@H](C)C2)s1 ZINC000378243577 337068616 /nfs/dbraw/zinc/06/86/16/337068616.db2.gz NJTQIHRURGYBHL-KDOFPFPSSA-N 2 2 321.534 3.832 20 0 DHADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)C2CC2)cc1 ZINC000378436756 337072627 /nfs/dbraw/zinc/07/26/27/337072627.db2.gz WFWIOTQOHVYZFF-AEFFLSMTSA-N 2 2 311.429 3.510 20 0 DHADLP c1cn(CC[NH2+][C@@H]2CCCOc3c4ccccc4ccc32)c[nH+]1 ZINC000360080474 337085187 /nfs/dbraw/zinc/08/51/87/337085187.db2.gz XJINIJVJSNXCMH-GOSISDBHSA-N 2 2 307.397 3.540 20 0 DHADLP Cn1c[nH+]cc1C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000177159611 337154517 /nfs/dbraw/zinc/15/45/17/337154517.db2.gz VHUSKGLGFLHFMM-HXUWFJFHSA-N 2 2 303.409 3.720 20 0 DHADLP Cn1c[nH+]cc1C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000177159611 337154518 /nfs/dbraw/zinc/15/45/18/337154518.db2.gz VHUSKGLGFLHFMM-HXUWFJFHSA-N 2 2 303.409 3.720 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)cc1 ZINC000178510309 337163405 /nfs/dbraw/zinc/16/34/05/337163405.db2.gz TUNRMGNSIPILPZ-OAHLLOKOSA-N 2 2 323.444 3.809 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(F)cc1OC(F)F ZINC000178414751 337164446 /nfs/dbraw/zinc/16/44/46/337164446.db2.gz SREHRQPPOZBFAJ-GFCCVEGCSA-N 2 2 316.367 3.564 20 0 DHADLP CC(C)n1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000179415576 337167818 /nfs/dbraw/zinc/16/78/18/337167818.db2.gz IDVPWNVMLGZGAC-GOSISDBHSA-N 2 2 318.509 3.552 20 0 DHADLP CC(C)n1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000179415576 337167819 /nfs/dbraw/zinc/16/78/19/337167819.db2.gz IDVPWNVMLGZGAC-GOSISDBHSA-N 2 2 318.509 3.552 20 0 DHADLP Cc1nsc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000582793631 337170533 /nfs/dbraw/zinc/17/05/33/337170533.db2.gz JRRWMTRIDDTMCJ-QGZVFWFLSA-N 2 2 321.534 3.704 20 0 DHADLP Cc1nsc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000582793631 337170534 /nfs/dbraw/zinc/17/05/34/337170534.db2.gz JRRWMTRIDDTMCJ-QGZVFWFLSA-N 2 2 321.534 3.704 20 0 DHADLP Fc1ccc(NC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000179800289 337171714 /nfs/dbraw/zinc/17/17/14/337171714.db2.gz GACVLPBTCYTSNF-UHFFFAOYSA-N 2 2 324.403 3.550 20 0 DHADLP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663102 337177086 /nfs/dbraw/zinc/17/70/86/337177086.db2.gz WTSGXVDASVSKJC-MRXNPFEDSA-N 3 2 323.444 3.508 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000181184062 337182101 /nfs/dbraw/zinc/18/21/01/337182101.db2.gz MNMJLTCYMWCYFD-DZKIICNBSA-N 2 2 310.401 3.668 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000181184062 337182102 /nfs/dbraw/zinc/18/21/02/337182102.db2.gz MNMJLTCYMWCYFD-DZKIICNBSA-N 2 2 310.401 3.668 20 0 DHADLP Cc1nc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)oc1C ZINC000183143055 337190145 /nfs/dbraw/zinc/19/01/45/337190145.db2.gz QFTKWOLQGFQAQC-ZDUSSCGKSA-N 2 2 310.401 3.636 20 0 DHADLP Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000182918840 337190769 /nfs/dbraw/zinc/19/07/69/337190769.db2.gz IXXGXJVHFVKCIB-UHFFFAOYSA-N 2 2 320.440 3.852 20 0 DHADLP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000182918840 337190770 /nfs/dbraw/zinc/19/07/70/337190770.db2.gz IXXGXJVHFVKCIB-UHFFFAOYSA-N 2 2 320.440 3.852 20 0 DHADLP C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183999458 337194430 /nfs/dbraw/zinc/19/44/30/337194430.db2.gz KQVYJEAETPKFDB-VQIMIIECSA-N 2 2 313.445 3.872 20 0 DHADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000583032039 337231251 /nfs/dbraw/zinc/23/12/51/337231251.db2.gz IHZZQJSWJJTZTM-QGZVFWFLSA-N 2 2 321.827 3.577 20 0 DHADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000583032039 337231252 /nfs/dbraw/zinc/23/12/52/337231252.db2.gz IHZZQJSWJJTZTM-QGZVFWFLSA-N 2 2 321.827 3.577 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000187191076 337263621 /nfs/dbraw/zinc/26/36/21/337263621.db2.gz AGLZUJPHLTXZCK-JKSUJKDBSA-N 2 2 306.519 3.628 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1CCSCC1 ZINC000187191076 337263622 /nfs/dbraw/zinc/26/36/22/337263622.db2.gz AGLZUJPHLTXZCK-JKSUJKDBSA-N 2 2 306.519 3.628 20 0 DHADLP CC[C@@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)c1ccc(F)cn1 ZINC000321690751 337284434 /nfs/dbraw/zinc/28/44/34/337284434.db2.gz UJHCBSBRKQQIIF-OAHLLOKOSA-N 2 2 312.392 3.620 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000398111414 337306108 /nfs/dbraw/zinc/30/61/08/337306108.db2.gz DGTVLTHVIWPDTD-PBHICJAKSA-N 2 2 318.848 3.933 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000398111414 337306109 /nfs/dbraw/zinc/30/61/09/337306109.db2.gz DGTVLTHVIWPDTD-PBHICJAKSA-N 2 2 318.848 3.933 20 0 DHADLP CC1(C)CCC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000583823691 337337102 /nfs/dbraw/zinc/33/71/02/337337102.db2.gz DZAKCCJOMHEHLV-SFHVURJKSA-N 2 2 315.505 3.995 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1sccc1Br ZINC000037211043 337362230 /nfs/dbraw/zinc/36/22/30/337362230.db2.gz WBPRJZNPWZCHLG-NSHDSACASA-N 2 2 319.312 3.893 20 0 DHADLP CC(C)Oc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000051953362 337446697 /nfs/dbraw/zinc/44/66/97/337446697.db2.gz ZBHLJDXSAZTLMK-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP CC[NH2+]CC1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000420203201 337496586 /nfs/dbraw/zinc/49/65/86/337496586.db2.gz GZPWNSJVQHEPAM-UHFFFAOYSA-N 2 2 318.509 3.723 20 0 DHADLP CCc1cccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000571928137 337582180 /nfs/dbraw/zinc/58/21/80/337582180.db2.gz BZMYIKFFCLDGJZ-UHFFFAOYSA-N 2 2 305.425 3.784 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)n1C ZINC000571939024 337583428 /nfs/dbraw/zinc/58/34/28/337583428.db2.gz INBBLDIGFGXVNP-MOPGFXCFSA-N 2 2 313.445 3.517 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422626100 337683162 /nfs/dbraw/zinc/68/31/62/337683162.db2.gz DHXBFDLRQUOMJF-OAHLLOKOSA-N 2 2 323.278 3.728 20 0 DHADLP COc1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422772754 337685911 /nfs/dbraw/zinc/68/59/11/337685911.db2.gz XRNCEGFIBUPTQQ-CVEARBPZSA-N 2 2 302.805 3.583 20 0 DHADLP Cc1nc(-c2ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)cc2)cs1 ZINC000422808016 337687488 /nfs/dbraw/zinc/68/74/88/337687488.db2.gz PRINSDFRSUNLIG-IGCXYCKISA-N 2 2 315.486 3.910 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422876494 337689685 /nfs/dbraw/zinc/68/96/85/337689685.db2.gz QDHVNRQEIFGDQW-HZPDHXFCSA-N 2 2 318.367 3.831 20 0 DHADLP Cc1cc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)ccc1-c1ccccc1 ZINC000423063335 337697884 /nfs/dbraw/zinc/69/78/84/337697884.db2.gz OUEWFOOSVCBTRE-FXAWDEMLSA-N 2 2 324.468 3.519 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OCc2ccccc2)cc1 ZINC000423187630 337703103 /nfs/dbraw/zinc/70/31/03/337703103.db2.gz KXYJFQUPDMATLO-QFBILLFUSA-N 2 2 310.441 3.668 20 0 DHADLP C[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000423224171 337705584 /nfs/dbraw/zinc/70/55/84/337705584.db2.gz IKXVEMZFHQNEKC-SNVBAGLBSA-N 2 2 309.866 3.642 20 0 DHADLP c1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)CCC3)cc1 ZINC000423240870 337706707 /nfs/dbraw/zinc/70/67/07/337706707.db2.gz UDXNLFMUTOAHRT-LSDHHAIUSA-N 2 2 313.470 3.529 20 0 DHADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423249445 337707305 /nfs/dbraw/zinc/70/73/05/337707305.db2.gz SBYPFAIHDBCKTM-NSHDSACASA-N 2 2 306.397 3.601 20 0 DHADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423398400 337715395 /nfs/dbraw/zinc/71/53/95/337715395.db2.gz OWJQPBJWINYFOJ-CFLQYTFWSA-N 2 2 321.424 3.505 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2Cl)cc1 ZINC000423439081 337719219 /nfs/dbraw/zinc/71/92/19/337719219.db2.gz SEZMJZDQBZBJNR-OGWHTMIXSA-N 2 2 312.844 3.545 20 0 DHADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423482975 337721987 /nfs/dbraw/zinc/72/19/87/337721987.db2.gz XQAFJGWXEQYTBS-BXKDBHETSA-N 2 2 303.233 3.534 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccnc(C)c2)c(C)c1 ZINC000527685951 337755719 /nfs/dbraw/zinc/75/57/19/337755719.db2.gz YKTJFBPBXGQIFX-HXUWFJFHSA-N 2 2 320.440 3.734 20 0 DHADLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccncc1Cl ZINC000527696644 337760598 /nfs/dbraw/zinc/76/05/98/337760598.db2.gz VOYWLEQVHWFZKI-UHFFFAOYSA-N 2 2 309.885 3.869 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c(Cl)c1 ZINC000424307303 337818392 /nfs/dbraw/zinc/81/83/92/337818392.db2.gz XIWAPAIRZJAGOZ-CYBMUJFWSA-N 2 2 304.821 3.945 20 0 DHADLP CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000091264109 337890790 /nfs/dbraw/zinc/89/07/90/337890790.db2.gz ZALYLEHKAFKDLJ-HNNXBMFYSA-N 2 2 311.351 3.889 20 0 DHADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000121759419 337898696 /nfs/dbraw/zinc/89/86/96/337898696.db2.gz PQXCREWPHGOCNS-INIZCTEOSA-N 2 2 319.836 3.739 20 0 DHADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648400 337906876 /nfs/dbraw/zinc/90/68/76/337906876.db2.gz QXJPPTGCCRLUCL-UHFFFAOYSA-N 2 2 303.837 3.990 20 0 DHADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cc(C)ccc1OC ZINC000093372514 337915740 /nfs/dbraw/zinc/91/57/40/337915740.db2.gz AMEAOJRKQZXROU-SFHVURJKSA-N 2 2 323.440 3.935 20 0 DHADLP CC(C)=CCC[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000537456762 337937352 /nfs/dbraw/zinc/93/73/52/337937352.db2.gz XOXPUKTURZKAMZ-WMZOPIPTSA-N 2 2 316.493 3.769 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000425968414 338019317 /nfs/dbraw/zinc/01/93/17/338019317.db2.gz SATRWXIJVWQQHC-OAHLLOKOSA-N 2 2 310.869 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000425968414 338019318 /nfs/dbraw/zinc/01/93/18/338019318.db2.gz SATRWXIJVWQQHC-OAHLLOKOSA-N 2 2 310.869 3.655 20 0 DHADLP CCc1nc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)o1 ZINC000426324542 338027124 /nfs/dbraw/zinc/02/71/24/338027124.db2.gz FRDCNJNFTFGAEL-WMLDXEAASA-N 2 2 319.493 3.678 20 0 DHADLP CC1=C[C@H](C)C[C@H](C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000428268899 338045035 /nfs/dbraw/zinc/04/50/35/338045035.db2.gz GWTIPFPMJRIZCP-JQHSSLGASA-N 2 2 301.478 3.667 20 0 DHADLP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000428268899 338045036 /nfs/dbraw/zinc/04/50/36/338045036.db2.gz GWTIPFPMJRIZCP-JQHSSLGASA-N 2 2 301.478 3.667 20 0 DHADLP Cc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)c2cc(F)ccc2[nH+]1 ZINC000428696777 338058732 /nfs/dbraw/zinc/05/87/32/338058732.db2.gz ZWVJHGYJFYPYQT-UHFFFAOYSA-N 2 2 324.403 3.852 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc2O1 ZINC000429156399 338072223 /nfs/dbraw/zinc/07/22/23/338072223.db2.gz RFHBEVBLUJXAPS-INIZCTEOSA-N 2 2 319.408 3.655 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc2O1 ZINC000429156399 338072224 /nfs/dbraw/zinc/07/22/24/338072224.db2.gz RFHBEVBLUJXAPS-INIZCTEOSA-N 2 2 319.408 3.655 20 0 DHADLP CC[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429708203 338088058 /nfs/dbraw/zinc/08/80/58/338088058.db2.gz LMKXZSBBRSRASL-WOJBJXKFSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429708203 338088059 /nfs/dbraw/zinc/08/80/59/338088059.db2.gz LMKXZSBBRSRASL-WOJBJXKFSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429708203 338088060 /nfs/dbraw/zinc/08/80/60/338088060.db2.gz LMKXZSBBRSRASL-WOJBJXKFSA-N 2 2 316.489 3.542 20 0 DHADLP CC[C@@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429708203 338088061 /nfs/dbraw/zinc/08/80/61/338088061.db2.gz LMKXZSBBRSRASL-WOJBJXKFSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000430092269 338095948 /nfs/dbraw/zinc/09/59/48/338095948.db2.gz YMXWNBCEROTPDH-YOEHRIQHSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000430092269 338095949 /nfs/dbraw/zinc/09/59/49/338095949.db2.gz YMXWNBCEROTPDH-YOEHRIQHSA-N 2 2 308.416 3.532 20 0 DHADLP CSC[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000430195442 338100670 /nfs/dbraw/zinc/10/06/70/338100670.db2.gz INAFPKBAVLJBJX-CYBMUJFWSA-N 2 2 307.488 3.509 20 0 DHADLP CSC[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000430195442 338100671 /nfs/dbraw/zinc/10/06/71/338100671.db2.gz INAFPKBAVLJBJX-CYBMUJFWSA-N 2 2 307.488 3.509 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000430576804 338109005 /nfs/dbraw/zinc/10/90/05/338109005.db2.gz XXSQHAPXTHMPQY-GDBMZVCRSA-N 2 2 301.434 3.708 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000430576804 338109006 /nfs/dbraw/zinc/10/90/06/338109006.db2.gz XXSQHAPXTHMPQY-GDBMZVCRSA-N 2 2 301.434 3.708 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000430581335 338109098 /nfs/dbraw/zinc/10/90/98/338109098.db2.gz HEEMHKDOSGMRTG-MRXNPFEDSA-N 2 2 321.465 3.754 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000430581335 338109099 /nfs/dbraw/zinc/10/90/99/338109099.db2.gz HEEMHKDOSGMRTG-MRXNPFEDSA-N 2 2 321.465 3.754 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1C ZINC000430653709 338110446 /nfs/dbraw/zinc/11/04/46/338110446.db2.gz ZHUXRONXWBGGLJ-CRAIPNDOSA-N 2 2 302.462 3.516 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1C ZINC000430653709 338110447 /nfs/dbraw/zinc/11/04/47/338110447.db2.gz ZHUXRONXWBGGLJ-CRAIPNDOSA-N 2 2 302.462 3.516 20 0 DHADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431174615 338124926 /nfs/dbraw/zinc/12/49/26/338124926.db2.gz FDMOHZMPNCKHMD-ZWKOTPCHSA-N 2 2 300.377 3.825 20 0 DHADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431174615 338124927 /nfs/dbraw/zinc/12/49/27/338124927.db2.gz FDMOHZMPNCKHMD-ZWKOTPCHSA-N 2 2 300.377 3.825 20 0 DHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000431349617 338128909 /nfs/dbraw/zinc/12/89/09/338128909.db2.gz MIURYKUNHYKMPD-SFHVURJKSA-N 2 2 302.462 3.709 20 0 DHADLP Cc1cccn2c(C[NH2+]CCC3CC(OC(C)(C)C)C3)c[nH+]c12 ZINC000432239743 338149941 /nfs/dbraw/zinc/14/99/41/338149941.db2.gz GAOOQHBMBAHKEN-UHFFFAOYSA-N 2 2 315.461 3.716 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3s2)[C@H](C)C1 ZINC000432753573 338166565 /nfs/dbraw/zinc/16/65/65/338166565.db2.gz VGYCATMMDSQIEV-IUODEOHRSA-N 2 2 321.465 3.598 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3s2)[C@H](C)C1 ZINC000432753573 338166566 /nfs/dbraw/zinc/16/65/66/338166566.db2.gz VGYCATMMDSQIEV-IUODEOHRSA-N 2 2 321.465 3.598 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(F)cc3s2)[C@H](C)C1 ZINC000432753573 338166567 /nfs/dbraw/zinc/16/65/67/338166567.db2.gz VGYCATMMDSQIEV-IUODEOHRSA-N 2 2 321.465 3.598 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(F)cc3s2)[C@H](C)C1 ZINC000432753573 338166568 /nfs/dbraw/zinc/16/65/68/338166568.db2.gz VGYCATMMDSQIEV-IUODEOHRSA-N 2 2 321.465 3.598 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432793214 338168108 /nfs/dbraw/zinc/16/81/08/338168108.db2.gz NPHMKXCWLUPTIW-NSHDSACASA-N 2 2 306.397 3.683 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432793214 338168109 /nfs/dbraw/zinc/16/81/09/338168109.db2.gz NPHMKXCWLUPTIW-NSHDSACASA-N 2 2 306.397 3.683 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+]C2CC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000433245155 338187684 /nfs/dbraw/zinc/18/76/84/338187684.db2.gz IMRLQBJRWQLHKO-MRXNPFEDSA-N 2 2 316.489 3.665 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)CCc1cccc(Cl)c1Cl ZINC000434481048 338217393 /nfs/dbraw/zinc/21/73/93/338217393.db2.gz OQXYXCYFVLYJLN-UHFFFAOYSA-N 2 2 312.244 3.755 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1cccc(Cl)c1Cl ZINC000434481048 338217394 /nfs/dbraw/zinc/21/73/94/338217394.db2.gz OQXYXCYFVLYJLN-UHFFFAOYSA-N 2 2 312.244 3.755 20 0 DHADLP Cc1cc(C)c(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)cc1C ZINC000434658255 338222616 /nfs/dbraw/zinc/22/26/16/338222616.db2.gz BQCKWMKGIQBXQT-UHFFFAOYSA-N 2 2 315.486 3.658 20 0 DHADLP C[C@@H]([NH3+])CCC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000434690285 338223424 /nfs/dbraw/zinc/22/34/24/338223424.db2.gz FZFCMAMXUYHSHW-LLVKDONJSA-N 2 2 319.792 3.593 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1nccs1 ZINC000153412368 338224136 /nfs/dbraw/zinc/22/41/36/338224136.db2.gz IXEVOEJBJBFTCK-OFQRWUPVSA-N 2 2 307.507 3.837 20 0 DHADLP C[NH2+]C1CC[NH+](Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000435372698 338238218 /nfs/dbraw/zinc/23/82/18/338238218.db2.gz BRHXVYRXQBPNOU-UHFFFAOYSA-N 2 2 310.441 3.546 20 0 DHADLP CC[N@H+](Cc1csc(-c2ccsc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435379420 338238337 /nfs/dbraw/zinc/23/83/37/338238337.db2.gz IXXPKFWDEBELQH-HNNXBMFYSA-N 2 2 321.515 3.836 20 0 DHADLP CC[N@@H+](Cc1csc(-c2ccsc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435379420 338238338 /nfs/dbraw/zinc/23/83/38/338238338.db2.gz IXXPKFWDEBELQH-HNNXBMFYSA-N 2 2 321.515 3.836 20 0 DHADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000435384024 338238480 /nfs/dbraw/zinc/23/84/80/338238480.db2.gz LGSJXWMYEDPSBD-MOPGFXCFSA-N 2 2 322.452 3.689 20 0 DHADLP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000435384024 338238481 /nfs/dbraw/zinc/23/84/81/338238481.db2.gz LGSJXWMYEDPSBD-MOPGFXCFSA-N 2 2 322.452 3.689 20 0 DHADLP CC[N@H+](Cc1csc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435395319 338239009 /nfs/dbraw/zinc/23/90/09/338239009.db2.gz SEOQPESUADXGRH-QGZVFWFLSA-N 2 2 315.486 3.774 20 0 DHADLP CC[N@@H+](Cc1csc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435395319 338239010 /nfs/dbraw/zinc/23/90/10/338239010.db2.gz SEOQPESUADXGRH-QGZVFWFLSA-N 2 2 315.486 3.774 20 0 DHADLP c1c(CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)[nH+]c2ccccn12 ZINC000436235803 338262817 /nfs/dbraw/zinc/26/28/17/338262817.db2.gz CANZULDNGLHNEU-OALUTQOASA-N 2 2 319.452 3.878 20 0 DHADLP COCCC1(C[NH2+]CC(C)(C)[NH+]2CCCCC2)CCCCC1 ZINC000436274801 338265045 /nfs/dbraw/zinc/26/50/45/338265045.db2.gz XNXZKBOPICTBQQ-UHFFFAOYSA-N 2 2 310.526 3.828 20 0 DHADLP COCCC1(C[NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCCCC1 ZINC000436295484 338266926 /nfs/dbraw/zinc/26/69/26/338266926.db2.gz ZFLSQTSIXFFSLM-ROUUACIJSA-N 2 2 310.526 3.683 20 0 DHADLP COCCC1(C[NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCCCC1 ZINC000436295484 338266927 /nfs/dbraw/zinc/26/69/27/338266927.db2.gz ZFLSQTSIXFFSLM-ROUUACIJSA-N 2 2 310.526 3.683 20 0 DHADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000437772408 338320719 /nfs/dbraw/zinc/32/07/19/338320719.db2.gz ICZZDGGECOTKLU-QUCCMNQESA-N 2 2 309.457 3.984 20 0 DHADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)c1ccc(F)cc1 ZINC000438082417 338330351 /nfs/dbraw/zinc/33/03/51/338330351.db2.gz UYYKYGAVISFWSQ-JXFKEZNVSA-N 2 2 314.448 3.692 20 0 DHADLP c1cn(-c2ccc(CNc3[nH+]ccn3-c3ccccc3)cc2)c[nH+]1 ZINC000438935154 338356447 /nfs/dbraw/zinc/35/64/47/338356447.db2.gz YEXHJCDSYSFZNA-UHFFFAOYSA-N 2 2 315.380 3.670 20 0 DHADLP CC1CC[NH+](CCC[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447927802 338571503 /nfs/dbraw/zinc/57/15/03/338571503.db2.gz GBKQTKUMUWRYLN-UHFFFAOYSA-N 2 2 309.523 3.652 20 0 DHADLP COc1cccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)cccc12 ZINC000449019527 338583981 /nfs/dbraw/zinc/58/39/81/338583981.db2.gz NIFAIFMMRURUBP-UHFFFAOYSA-N 2 2 321.424 3.882 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449066506 338590045 /nfs/dbraw/zinc/59/00/45/338590045.db2.gz CGPRKMPCMZJGFX-CQSZACIVSA-N 2 2 312.379 3.554 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CSc4ccccc43)n2c1 ZINC000449359129 338617536 /nfs/dbraw/zinc/61/75/36/338617536.db2.gz GJAPQXCYBUVHEH-CQSZACIVSA-N 2 2 309.438 3.622 20 0 DHADLP c1ccc(N2CCC([NH2+]CC[C@@H]3CCc4ccccc43)CC2)[nH+]c1 ZINC000449374829 338619098 /nfs/dbraw/zinc/61/90/98/338619098.db2.gz GPOTWABLEZFTFO-SFHVURJKSA-N 2 2 321.468 3.760 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000453179582 338803339 /nfs/dbraw/zinc/80/33/39/338803339.db2.gz UWFGRIXVKDFXDC-OXQOHEQNSA-N 2 2 324.472 3.743 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000453179580 338803369 /nfs/dbraw/zinc/80/33/69/338803369.db2.gz UWFGRIXVKDFXDC-OXJNMPFZSA-N 2 2 324.472 3.743 20 0 DHADLP C[C@H]1C[C@H](Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c2[nH+]ccn21 ZINC000453187178 338804652 /nfs/dbraw/zinc/80/46/52/338804652.db2.gz COEKYRCNXOTOQG-NHYWBVRUSA-N 2 2 307.401 3.765 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000459340180 339022898 /nfs/dbraw/zinc/02/28/98/339022898.db2.gz DYTUTEVPUMSGJF-OAQYLSRUSA-N 2 2 317.436 3.610 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000459340180 339022899 /nfs/dbraw/zinc/02/28/99/339022899.db2.gz DYTUTEVPUMSGJF-OAQYLSRUSA-N 2 2 317.436 3.610 20 0 DHADLP Cc1cc(F)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000459379430 339025906 /nfs/dbraw/zinc/02/59/06/339025906.db2.gz ADRHFYOSFRXWCL-UHFFFAOYSA-N 2 2 310.844 3.752 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cnc(C2CC2)nc1)c1ccccc1 ZINC000459420288 339028136 /nfs/dbraw/zinc/02/81/36/339028136.db2.gz VVBPMQUPKDUVMC-HNNXBMFYSA-N 2 2 324.472 3.573 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459647825 339040297 /nfs/dbraw/zinc/04/02/97/339040297.db2.gz KLRFNDRWIMQHOE-ZDUSSCGKSA-N 2 2 301.459 3.619 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@H](Oc4cc[nH+]cc4)C3)[nH+]c2c1 ZINC000460962590 339056054 /nfs/dbraw/zinc/05/60/54/339056054.db2.gz ZGGDEBFEPAFATB-KRWDZBQOSA-N 2 2 319.408 3.904 20 0 DHADLP C=Cc1ccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000462914459 339097971 /nfs/dbraw/zinc/09/79/71/339097971.db2.gz QEQAVRAMBFJICC-UHFFFAOYSA-N 2 2 309.438 3.909 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463028725 339101564 /nfs/dbraw/zinc/10/15/64/339101564.db2.gz OUEBTVKZJGZRHD-GOEBONIOSA-N 2 2 302.462 3.751 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463028725 339101565 /nfs/dbraw/zinc/10/15/65/339101565.db2.gz OUEBTVKZJGZRHD-GOEBONIOSA-N 2 2 302.462 3.751 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C[N@@H+]1C1CC1 ZINC000466471464 339206459 /nfs/dbraw/zinc/20/64/59/339206459.db2.gz CPOPSHQOOWYUMI-WPPJOMGTSA-N 2 2 322.855 3.940 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C[N@H+]1C1CC1 ZINC000466471464 339206460 /nfs/dbraw/zinc/20/64/60/339206460.db2.gz CPOPSHQOOWYUMI-WPPJOMGTSA-N 2 2 322.855 3.940 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC[C@H]2C)C1 ZINC000467348846 339232999 /nfs/dbraw/zinc/23/29/99/339232999.db2.gz HQJJAYRYPQOKGF-GUDVDZBRSA-N 2 2 315.505 3.880 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000467348846 339233000 /nfs/dbraw/zinc/23/30/00/339233000.db2.gz HQJJAYRYPQOKGF-GUDVDZBRSA-N 2 2 315.505 3.880 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467354088 339233469 /nfs/dbraw/zinc/23/34/69/339233469.db2.gz LKWCZXXSHBMEKI-MSOLQXFVSA-N 2 2 303.494 3.738 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467354088 339233470 /nfs/dbraw/zinc/23/34/70/339233470.db2.gz LKWCZXXSHBMEKI-MSOLQXFVSA-N 2 2 303.494 3.738 20 0 DHADLP C[N@@H+]1CCCC12CC[NH+](C/C=C/c1ccc(Cl)cc1)CC2 ZINC000469768138 339298373 /nfs/dbraw/zinc/29/83/73/339298373.db2.gz HVYCKXVNDDVXTB-DUXPYHPUSA-N 2 2 304.865 3.913 20 0 DHADLP C[N@H+]1CCCC12CC[NH+](C/C=C/c1ccc(Cl)cc1)CC2 ZINC000469768138 339298374 /nfs/dbraw/zinc/29/83/74/339298374.db2.gz HVYCKXVNDDVXTB-DUXPYHPUSA-N 2 2 304.865 3.913 20 0 DHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000469855334 339302776 /nfs/dbraw/zinc/30/27/76/339302776.db2.gz PCKBYSXVPNNOHS-KOLCDFICSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000469855334 339302777 /nfs/dbraw/zinc/30/27/77/339302777.db2.gz PCKBYSXVPNNOHS-KOLCDFICSA-N 2 2 306.759 3.528 20 0 DHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(C(F)F)c2)C1 ZINC000470772805 339327489 /nfs/dbraw/zinc/32/74/89/339327489.db2.gz LKJIVHLZFPUOKK-MRXNPFEDSA-N 2 2 308.416 3.788 20 0 DHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(C(F)F)c2)C1 ZINC000470772805 339327490 /nfs/dbraw/zinc/32/74/90/339327490.db2.gz LKJIVHLZFPUOKK-MRXNPFEDSA-N 2 2 308.416 3.788 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000470772805 339327491 /nfs/dbraw/zinc/32/74/91/339327491.db2.gz LKJIVHLZFPUOKK-MRXNPFEDSA-N 2 2 308.416 3.788 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000470772805 339327492 /nfs/dbraw/zinc/32/74/92/339327492.db2.gz LKJIVHLZFPUOKK-MRXNPFEDSA-N 2 2 308.416 3.788 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470978337 339333649 /nfs/dbraw/zinc/33/36/49/339333649.db2.gz RWPMXYAJKSFTCW-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470978337 339333650 /nfs/dbraw/zinc/33/36/50/339333650.db2.gz RWPMXYAJKSFTCW-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470978337 339333651 /nfs/dbraw/zinc/33/36/51/339333651.db2.gz RWPMXYAJKSFTCW-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470978337 339333652 /nfs/dbraw/zinc/33/36/52/339333652.db2.gz RWPMXYAJKSFTCW-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](CCC(F)(F)F)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471619173 339349827 /nfs/dbraw/zinc/34/98/27/339349827.db2.gz ODLIXCXGRISYAS-NFAWXSAZSA-N 2 2 302.384 3.998 20 0 DHADLP CCOc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000472068642 339362247 /nfs/dbraw/zinc/36/22/47/339362247.db2.gz FVVNHHXVDMHUNT-OXQOHEQNSA-N 2 2 312.457 3.866 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000474025743 339397488 /nfs/dbraw/zinc/39/74/88/339397488.db2.gz WLMMWJJQUOBXBS-KSMMKXTCSA-N 2 2 314.473 3.632 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000474025743 339397489 /nfs/dbraw/zinc/39/74/89/339397489.db2.gz WLMMWJJQUOBXBS-KSMMKXTCSA-N 2 2 314.473 3.632 20 0 DHADLP C[C@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)C1CCC(F)(F)CC1 ZINC000474056478 339399707 /nfs/dbraw/zinc/39/97/07/339399707.db2.gz LIHKSOPWHJRVFB-YJBOKZPZSA-N 2 2 324.459 3.963 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000474798175 339426584 /nfs/dbraw/zinc/42/65/84/339426584.db2.gz WWGKPEQJYYEAIT-IAGOWNOFSA-N 2 2 310.526 3.680 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000474798181 339426610 /nfs/dbraw/zinc/42/66/10/339426610.db2.gz WWGKPEQJYYEAIT-SJORKVTESA-N 2 2 310.526 3.680 20 0 DHADLP CC(C)C1CC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475330112 339446819 /nfs/dbraw/zinc/44/68/19/339446819.db2.gz NHJUPNQZMHRRNC-UHFFFAOYSA-N 2 2 318.427 3.816 20 0 DHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000480150120 339560471 /nfs/dbraw/zinc/56/04/71/339560471.db2.gz PPVJRFKLXWKZHX-CQSZACIVSA-N 2 2 310.869 3.875 20 0 DHADLP CC1(C)C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000480775551 339586748 /nfs/dbraw/zinc/58/67/48/339586748.db2.gz YOLFAWARKCDXJV-SFHVURJKSA-N 2 2 309.457 3.774 20 0 DHADLP Cc1cc(NC2CC[NH+](CC3CC3)CC2)c2cccc(F)c2[nH+]1 ZINC000481701486 339610181 /nfs/dbraw/zinc/61/01/81/339610181.db2.gz LLBSLTJVXYVYSD-UHFFFAOYSA-N 2 2 313.420 3.969 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000482625059 339637864 /nfs/dbraw/zinc/63/78/64/339637864.db2.gz BQTDGDPRLMQWQO-QXAKKESOSA-N 2 2 324.553 3.926 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000499698500 340042825 /nfs/dbraw/zinc/04/28/25/340042825.db2.gz OZEMTYLLYGUMJT-GUIRCDHDSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)C[N@H+]1C1CC1 ZINC000499698500 340042826 /nfs/dbraw/zinc/04/28/26/340042826.db2.gz OZEMTYLLYGUMJT-GUIRCDHDSA-N 2 2 304.400 3.570 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000501414366 340080373 /nfs/dbraw/zinc/08/03/73/340080373.db2.gz UURTXVLTTBXYOB-IAGOWNOFSA-N 2 2 324.534 3.924 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000501474173 340081949 /nfs/dbraw/zinc/08/19/49/340081949.db2.gz QMNDGTBEHUDKLZ-VSKPTYQZSA-N 2 2 312.379 3.793 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000501474173 340081950 /nfs/dbraw/zinc/08/19/50/340081950.db2.gz QMNDGTBEHUDKLZ-VSKPTYQZSA-N 2 2 312.379 3.793 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H]1CCOC)c1ccccc1 ZINC000502708998 340111758 /nfs/dbraw/zinc/11/17/58/340111758.db2.gz SDXAYEOXRTXBOA-YZGWKJHDSA-N 2 2 318.505 3.864 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000502722347 340112351 /nfs/dbraw/zinc/11/23/51/340112351.db2.gz NOGJYGPQUAQFTK-NZSAHSFTSA-N 2 2 318.505 3.911 20 0 DHADLP CCCOc1cccc2c(N[C@H]3CCn4cc[nH+]c4C3)cc[nH+]c12 ZINC000503586414 340131745 /nfs/dbraw/zinc/13/17/45/340131745.db2.gz KKTYKHLZOOXIIV-AWEZNQCLSA-N 2 2 322.412 3.647 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000503912440 340136547 /nfs/dbraw/zinc/13/65/47/340136547.db2.gz SBRMIHKXSMCXIG-RKTXRCNFSA-N 2 2 324.415 3.572 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000503912440 340136548 /nfs/dbraw/zinc/13/65/48/340136548.db2.gz SBRMIHKXSMCXIG-RKTXRCNFSA-N 2 2 324.415 3.572 20 0 DHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2OCC2CC2)CC1 ZINC000506372944 340193550 /nfs/dbraw/zinc/19/35/50/340193550.db2.gz YVJKNOHKHQWJHW-UHFFFAOYSA-N 2 2 316.489 3.780 20 0 DHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2OCC2CC2)CC1 ZINC000506372944 340193551 /nfs/dbraw/zinc/19/35/51/340193551.db2.gz YVJKNOHKHQWJHW-UHFFFAOYSA-N 2 2 316.489 3.780 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C[C@H](C)CC(C)C)CC1 ZINC000507522270 340224350 /nfs/dbraw/zinc/22/43/50/340224350.db2.gz FUIZJADOQYMRIT-IAGOWNOFSA-N 2 2 312.542 3.926 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507797897 340231922 /nfs/dbraw/zinc/23/19/22/340231922.db2.gz PPLDIPXNMJUWFC-MRXNPFEDSA-N 2 2 312.432 3.876 20 0 DHADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2F)C1 ZINC000507797897 340231923 /nfs/dbraw/zinc/23/19/23/340231923.db2.gz PPLDIPXNMJUWFC-MRXNPFEDSA-N 2 2 312.432 3.876 20 0 DHADLP CCc1ccc[nH+]c1N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722516 340251514 /nfs/dbraw/zinc/25/15/14/340251514.db2.gz XQKYRHQDCKCHFX-QFBILLFUSA-N 2 2 309.457 3.967 20 0 DHADLP CCc1ccc[nH+]c1N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722516 340251515 /nfs/dbraw/zinc/25/15/15/340251515.db2.gz XQKYRHQDCKCHFX-QFBILLFUSA-N 2 2 309.457 3.967 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000509578529 340273997 /nfs/dbraw/zinc/27/39/97/340273997.db2.gz HWZZPJIEEBDISV-DYESRHJHSA-N 2 2 324.468 3.750 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000509963663 340284049 /nfs/dbraw/zinc/28/40/49/340284049.db2.gz NKPZDOFHCKYTJN-QRQLOZEOSA-N 2 2 318.505 3.690 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000509963663 340284050 /nfs/dbraw/zinc/28/40/50/340284050.db2.gz NKPZDOFHCKYTJN-QRQLOZEOSA-N 2 2 318.505 3.690 20 0 DHADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1CCCF)Cc1ccccc1 ZINC000510717036 340307836 /nfs/dbraw/zinc/30/78/36/340307836.db2.gz GIQLQFLZBFIEBZ-GBESFXJTSA-N 2 2 306.469 3.667 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000510716678 340307868 /nfs/dbraw/zinc/30/78/68/340307868.db2.gz HHHREVNYBNTLQV-HZSPNIEDSA-N 2 2 308.416 3.501 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000510716678 340307869 /nfs/dbraw/zinc/30/78/69/340307869.db2.gz HHHREVNYBNTLQV-HZSPNIEDSA-N 2 2 308.416 3.501 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511647453 340333785 /nfs/dbraw/zinc/33/37/85/340333785.db2.gz KDBVGXHTJKEJNK-VGOFRKELSA-N 2 2 320.480 3.891 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511647453 340333786 /nfs/dbraw/zinc/33/37/86/340333786.db2.gz KDBVGXHTJKEJNK-VGOFRKELSA-N 2 2 320.480 3.891 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(Cl)o3)C2)CC1 ZINC000512177723 340350990 /nfs/dbraw/zinc/35/09/90/340350990.db2.gz HSAGUFAIRICTHN-HNNXBMFYSA-N 2 2 310.869 3.877 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)o3)C2)CC1 ZINC000512177723 340350991 /nfs/dbraw/zinc/35/09/91/340350991.db2.gz HSAGUFAIRICTHN-HNNXBMFYSA-N 2 2 310.869 3.877 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000512391216 340360259 /nfs/dbraw/zinc/36/02/59/340360259.db2.gz LEOSSILHVWMPHW-OXQOHEQNSA-N 2 2 324.468 3.935 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000512391216 340360260 /nfs/dbraw/zinc/36/02/60/340360260.db2.gz LEOSSILHVWMPHW-OXQOHEQNSA-N 2 2 324.468 3.935 20 0 DHADLP C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000513207602 340397269 /nfs/dbraw/zinc/39/72/69/340397269.db2.gz BXHLYHQMADKPGG-IAGOWNOFSA-N 2 2 301.478 3.856 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C[C@@H](C)C1 ZINC000513238784 340399010 /nfs/dbraw/zinc/39/90/10/340399010.db2.gz QCXAPCPWGYBXBS-NHAGDIPZSA-N 2 2 306.416 3.818 20 0 DHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C/C=C/c1ccccc1 ZINC000524458563 340654742 /nfs/dbraw/zinc/65/47/42/340654742.db2.gz NRMOJXUDSLVRFS-RMKNXTFCSA-N 2 2 321.468 3.872 20 0 DHADLP Cc1cc([NH+]2CCCC2)ccc1NC1CC[NH+](C(C)C)CC1 ZINC000236606675 340663034 /nfs/dbraw/zinc/66/30/34/340663034.db2.gz QCPRWYJALGZQCE-UHFFFAOYSA-N 2 2 301.478 3.880 20 0 DHADLP CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC1(C)C ZINC000397721553 340713991 /nfs/dbraw/zinc/71/39/91/340713991.db2.gz XPPMMOOXCMDYTK-IRXDYDNUSA-N 2 2 301.478 3.855 20 0 DHADLP C[C@@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)C1CC(F)(F)C1 ZINC000529535440 340760343 /nfs/dbraw/zinc/76/03/43/340760343.db2.gz GSZRNOMXJMWLPQ-RHSMWYFYSA-N 2 2 308.416 3.847 20 0 DHADLP C[C@@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)C[NH+]1CCOCC1 ZINC000540084736 340914664 /nfs/dbraw/zinc/91/46/64/340914664.db2.gz DKJOPGMSIDVEAV-MAUKXSAKSA-N 2 2 322.518 3.537 20 0 DHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCCC1 ZINC000540789408 340946043 /nfs/dbraw/zinc/94/60/43/340946043.db2.gz PXUVPHLMBXHESA-OAHLLOKOSA-N 2 2 316.493 3.603 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)CCc1cccc(F)c1 ZINC000543095483 341031654 /nfs/dbraw/zinc/03/16/54/341031654.db2.gz OXIYHHKQBDVOPC-IPELMVKDSA-N 2 2 304.453 3.705 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)CCc1cccc(F)c1 ZINC000543095483 341031655 /nfs/dbraw/zinc/03/16/55/341031655.db2.gz OXIYHHKQBDVOPC-IPELMVKDSA-N 2 2 304.453 3.705 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)CCc1cccc(F)c1 ZINC000543095483 341031656 /nfs/dbraw/zinc/03/16/56/341031656.db2.gz OXIYHHKQBDVOPC-IPELMVKDSA-N 2 2 304.453 3.705 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)CCc1cccc(F)c1 ZINC000543095483 341031657 /nfs/dbraw/zinc/03/16/57/341031657.db2.gz OXIYHHKQBDVOPC-IPELMVKDSA-N 2 2 304.453 3.705 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C2CCC2)o1 ZINC000543606437 341051026 /nfs/dbraw/zinc/05/10/26/341051026.db2.gz LJXZJQPJFFXFOS-GPMSIDNRSA-N 2 2 320.477 3.518 20 0 DHADLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000544351232 341077633 /nfs/dbraw/zinc/07/76/33/341077633.db2.gz QTVKCTNPVCDBCR-SFHVURJKSA-N 2 2 324.453 3.974 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)[C@@H](C)C1 ZINC000544355964 341077783 /nfs/dbraw/zinc/07/77/83/341077783.db2.gz WRAQAHAJGGTQHP-QXSJWSMHSA-N 2 2 303.494 3.910 20 0 DHADLP C[C@@H](CC[NH2+][C@H]1CCc2c1c(F)ccc2F)[NH+]1CCCCC1 ZINC000544374669 341079060 /nfs/dbraw/zinc/07/90/60/341079060.db2.gz ZZOKYOBXLXLWJL-GUYCJALGSA-N 2 2 308.416 3.806 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccccc1 ZINC000544407300 341080670 /nfs/dbraw/zinc/08/06/70/341080670.db2.gz YYDOMZROQXWIFY-MRXNPFEDSA-N 2 2 323.415 3.980 20 0 DHADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000131722279 341110091 /nfs/dbraw/zinc/11/00/91/341110091.db2.gz HDSPJNSJLSVZPN-OAHLLOKOSA-N 2 2 318.486 3.905 20 0 DHADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000131722279 341110092 /nfs/dbraw/zinc/11/00/92/341110092.db2.gz HDSPJNSJLSVZPN-OAHLLOKOSA-N 2 2 318.486 3.905 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131885905 341113215 /nfs/dbraw/zinc/11/32/15/341113215.db2.gz VZMILBPVONOIDT-OCCSQVGLSA-N 2 2 304.340 3.574 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131885905 341113216 /nfs/dbraw/zinc/11/32/16/341113216.db2.gz VZMILBPVONOIDT-OCCSQVGLSA-N 2 2 304.340 3.574 20 0 DHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(F)c1 ZINC000132266844 341119645 /nfs/dbraw/zinc/11/96/45/341119645.db2.gz SMMYAIQVJJHAPQ-MRXNPFEDSA-N 2 2 323.415 3.964 20 0 DHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(F)c1 ZINC000132266658 341119709 /nfs/dbraw/zinc/11/97/09/341119709.db2.gz SMMYAIQVJJHAPQ-INIZCTEOSA-N 2 2 323.415 3.964 20 0 DHADLP Cc1ccn2cc(CNc3cc[nH+]c4ccc(C)cc34)[nH+]c2c1 ZINC000545445653 341125284 /nfs/dbraw/zinc/12/52/84/341125284.db2.gz FOROXMVNUHRHNI-UHFFFAOYSA-N 2 2 302.381 3.533 20 0 DHADLP Cc1nc(N2CC[NH+]([C@H](C)c3ccc(C(C)C)cc3)CC2)cc[nH+]1 ZINC000546103170 341153945 /nfs/dbraw/zinc/15/39/45/341153945.db2.gz GNQFAMWBAPBOGY-MRXNPFEDSA-N 2 2 324.472 3.792 20 0 DHADLP C[C@]1([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCc2ccccc21 ZINC000546578970 341173341 /nfs/dbraw/zinc/17/33/41/341173341.db2.gz GORRNUOPDXMXQW-NRFANRHFSA-N 2 2 321.468 3.892 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3cc[nH]c32)C[N@@H+]1Cc1ccccc1 ZINC000237492739 341214970 /nfs/dbraw/zinc/21/49/70/341214970.db2.gz JTIREOUUTJOUMP-UZLBHIALSA-N 2 2 319.452 3.921 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3cc[nH]c32)C[N@H+]1Cc1ccccc1 ZINC000237492739 341214971 /nfs/dbraw/zinc/21/49/71/341214971.db2.gz JTIREOUUTJOUMP-UZLBHIALSA-N 2 2 319.452 3.921 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ncc(-c3cccs3)o2)[C@@H](C)C1 ZINC000245417309 341292389 /nfs/dbraw/zinc/29/23/89/341292389.db2.gz FYJCMNRKJANYNX-UONOGXRCSA-N 2 2 319.474 3.565 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ncc(-c3cccs3)o2)[C@@H](C)C1 ZINC000245417309 341292390 /nfs/dbraw/zinc/29/23/90/341292390.db2.gz FYJCMNRKJANYNX-UONOGXRCSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ncc(-c3cccs3)o2)[C@@H](C)C1 ZINC000245417309 341292391 /nfs/dbraw/zinc/29/23/91/341292391.db2.gz FYJCMNRKJANYNX-UONOGXRCSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ncc(-c3cccs3)o2)[C@@H](C)C1 ZINC000245417309 341292392 /nfs/dbraw/zinc/29/23/92/341292392.db2.gz FYJCMNRKJANYNX-UONOGXRCSA-N 2 2 319.474 3.565 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245529609 341300091 /nfs/dbraw/zinc/30/00/91/341300091.db2.gz BVWIPMHBDNGYMX-HUUCEWRRSA-N 2 2 301.434 3.695 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245529609 341300092 /nfs/dbraw/zinc/30/00/92/341300092.db2.gz BVWIPMHBDNGYMX-HUUCEWRRSA-N 2 2 301.434 3.695 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245529609 341300093 /nfs/dbraw/zinc/30/00/93/341300093.db2.gz BVWIPMHBDNGYMX-HUUCEWRRSA-N 2 2 301.434 3.695 20 0 DHADLP C[C@H](c1nc2ccccc2o1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245529609 341300094 /nfs/dbraw/zinc/30/00/94/341300094.db2.gz BVWIPMHBDNGYMX-HUUCEWRRSA-N 2 2 301.434 3.695 20 0 DHADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245567354 341302458 /nfs/dbraw/zinc/30/24/58/341302458.db2.gz FLKWVNZHOZYZHO-QFBILLFUSA-N 2 2 313.445 3.753 20 0 DHADLP CC(C)Oc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245567354 341302459 /nfs/dbraw/zinc/30/24/59/341302459.db2.gz FLKWVNZHOZYZHO-QFBILLFUSA-N 2 2 313.445 3.753 20 0 DHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(F)c2Cl)C1 ZINC000549859847 341305151 /nfs/dbraw/zinc/30/51/51/341305151.db2.gz CNCDOPBNPXWKDI-CQSZACIVSA-N 2 2 310.844 3.643 20 0 DHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(F)c2Cl)C1 ZINC000549859847 341305152 /nfs/dbraw/zinc/30/51/52/341305152.db2.gz CNCDOPBNPXWKDI-CQSZACIVSA-N 2 2 310.844 3.643 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000549859847 341305153 /nfs/dbraw/zinc/30/51/53/341305153.db2.gz CNCDOPBNPXWKDI-CQSZACIVSA-N 2 2 310.844 3.643 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000549859847 341305154 /nfs/dbraw/zinc/30/51/54/341305154.db2.gz CNCDOPBNPXWKDI-CQSZACIVSA-N 2 2 310.844 3.643 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[N@@H+]1C1CC1 ZINC000549936324 341307552 /nfs/dbraw/zinc/30/75/52/341307552.db2.gz LOTDCQSPDVKBSX-AJNGGQMLSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)C[N@H+]1C1CC1 ZINC000549936324 341307553 /nfs/dbraw/zinc/30/75/53/341307553.db2.gz LOTDCQSPDVKBSX-AJNGGQMLSA-N 2 2 304.865 3.801 20 0 DHADLP Cc1cccn2c(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)c[nH+]c12 ZINC000245692339 341309892 /nfs/dbraw/zinc/30/98/92/341309892.db2.gz BRMMBNGXAXTPBI-HZPDHXFCSA-N 2 2 301.459 3.503 20 0 DHADLP Cc1cccn2c(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)c[nH+]c12 ZINC000245692339 341309893 /nfs/dbraw/zinc/30/98/93/341309893.db2.gz BRMMBNGXAXTPBI-HZPDHXFCSA-N 2 2 301.459 3.503 20 0 DHADLP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245716641 341311599 /nfs/dbraw/zinc/31/15/99/341311599.db2.gz UFJBVXQFFBTAIM-VQIMIIECSA-N 2 2 313.445 3.753 20 0 DHADLP CC(C)Oc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245716641 341311600 /nfs/dbraw/zinc/31/16/00/341311600.db2.gz UFJBVXQFFBTAIM-VQIMIIECSA-N 2 2 313.445 3.753 20 0 DHADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000550275045 341314134 /nfs/dbraw/zinc/31/41/34/341314134.db2.gz OKTNYHNWNZSYTQ-FNNPODNZSA-N 2 2 313.272 3.637 20 0 DHADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000550275045 341314135 /nfs/dbraw/zinc/31/41/35/341314135.db2.gz OKTNYHNWNZSYTQ-FNNPODNZSA-N 2 2 313.272 3.637 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)[NH+](CC)CC)cc1 ZINC000550846814 341324232 /nfs/dbraw/zinc/32/42/32/341324232.db2.gz GYIKWJCCOHATSU-VDGAXYAQSA-N 2 2 318.505 3.647 20 0 DHADLP CC(C)Oc1cccc([C@H]([NH2+]CCCC[NH+](C)C)C(F)F)c1 ZINC000550893688 341325909 /nfs/dbraw/zinc/32/59/09/341325909.db2.gz ZZOPAYHATOPEPX-INIZCTEOSA-N 2 2 314.420 3.711 20 0 DHADLP CC(C)c1[nH+]c(CN2CCCC[C@H]2c2[nH]cc[nH+]2)c2ccccn21 ZINC000550957266 341327861 /nfs/dbraw/zinc/32/78/61/341327861.db2.gz MKBHDRNLBZSCIB-KRWDZBQOSA-N 2 2 323.444 3.908 20 0 DHADLP Cc1ccccc1CCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000551092740 341331541 /nfs/dbraw/zinc/33/15/41/341331541.db2.gz CBWMCAYECXEZMH-SFTDATJTSA-N 2 2 308.469 3.963 20 0 DHADLP Cc1ccccc1CCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000551092740 341331542 /nfs/dbraw/zinc/33/15/42/341331542.db2.gz CBWMCAYECXEZMH-SFTDATJTSA-N 2 2 308.469 3.963 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000551241381 341335202 /nfs/dbraw/zinc/33/52/02/341335202.db2.gz LBYVZQCRALZTPH-JVGQSUMCSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000551241381 341335203 /nfs/dbraw/zinc/33/52/03/341335203.db2.gz LBYVZQCRALZTPH-JVGQSUMCSA-N 2 2 315.505 3.706 20 0 DHADLP CC(F)(F)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000551262601 341335877 /nfs/dbraw/zinc/33/58/77/341335877.db2.gz DLJCCONYQQCSTE-IXDOHACOSA-N 2 2 308.416 3.532 20 0 DHADLP CC(F)(F)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000551262601 341335878 /nfs/dbraw/zinc/33/58/78/341335878.db2.gz DLJCCONYQQCSTE-IXDOHACOSA-N 2 2 308.416 3.532 20 0 DHADLP CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H](C)C(C)C ZINC000551379893 341339946 /nfs/dbraw/zinc/33/99/46/341339946.db2.gz AEOGXXAELAOWLC-UYAOXDASSA-N 2 2 318.505 3.644 20 0 DHADLP CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H](C)C(C)C ZINC000551379893 341339947 /nfs/dbraw/zinc/33/99/47/341339947.db2.gz AEOGXXAELAOWLC-UYAOXDASSA-N 2 2 318.505 3.644 20 0 DHADLP CC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H](C)C(C)C ZINC000551379893 341339948 /nfs/dbraw/zinc/33/99/48/341339948.db2.gz AEOGXXAELAOWLC-UYAOXDASSA-N 2 2 318.505 3.644 20 0 DHADLP CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H](C)C(C)C ZINC000551379893 341339949 /nfs/dbraw/zinc/33/99/49/341339949.db2.gz AEOGXXAELAOWLC-UYAOXDASSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC000246327627 341342295 /nfs/dbraw/zinc/34/22/95/341342295.db2.gz FXGQTKLIPZAWNQ-SJLPKXTDSA-N 2 2 303.494 3.708 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC000246327627 341342296 /nfs/dbraw/zinc/34/22/96/341342296.db2.gz FXGQTKLIPZAWNQ-SJLPKXTDSA-N 2 2 303.494 3.708 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551520350 341343684 /nfs/dbraw/zinc/34/36/84/341343684.db2.gz MUXOIIHJQBSGEJ-SWLSCSKDSA-N 2 2 312.910 3.797 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCc1ccc(Cl)s1 ZINC000551520350 341343685 /nfs/dbraw/zinc/34/36/85/341343685.db2.gz MUXOIIHJQBSGEJ-SWLSCSKDSA-N 2 2 312.910 3.797 20 0 DHADLP Clc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000551524437 341343836 /nfs/dbraw/zinc/34/38/36/341343836.db2.gz KBXIHWFVCGRKJK-UHFFFAOYSA-N 2 2 301.821 3.812 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246366562 341345115 /nfs/dbraw/zinc/34/51/15/341345115.db2.gz IYULUPQUYCUGAF-BBRMVZONSA-N 2 2 310.869 3.559 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246366562 341345116 /nfs/dbraw/zinc/34/51/16/341345116.db2.gz IYULUPQUYCUGAF-BBRMVZONSA-N 2 2 310.869 3.559 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246836488 341357519 /nfs/dbraw/zinc/35/75/19/341357519.db2.gz OKSRUQISTTXEFS-LPMFXHHGSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246836488 341357520 /nfs/dbraw/zinc/35/75/20/341357520.db2.gz OKSRUQISTTXEFS-LPMFXHHGSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246836488 341357521 /nfs/dbraw/zinc/35/75/21/341357521.db2.gz OKSRUQISTTXEFS-LPMFXHHGSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246836488 341357522 /nfs/dbraw/zinc/35/75/22/341357522.db2.gz OKSRUQISTTXEFS-LPMFXHHGSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247092102 341360998 /nfs/dbraw/zinc/36/09/98/341360998.db2.gz NYNVLYUZAIWILZ-GOEBONIOSA-N 2 2 308.416 3.976 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247092102 341360999 /nfs/dbraw/zinc/36/09/99/341360999.db2.gz NYNVLYUZAIWILZ-GOEBONIOSA-N 2 2 308.416 3.976 20 0 DHADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247643472 341368137 /nfs/dbraw/zinc/36/81/37/341368137.db2.gz OQNUUJZOQIMWMY-SJLPKXTDSA-N 2 2 313.445 3.753 20 0 DHADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247643472 341368138 /nfs/dbraw/zinc/36/81/38/341368138.db2.gz OQNUUJZOQIMWMY-SJLPKXTDSA-N 2 2 313.445 3.753 20 0 DHADLP COc1cccc([C@@H](C[NH2+][C@@H]2CC=C(C)CC2)[NH+]2CCCC2)c1 ZINC000552095737 341369428 /nfs/dbraw/zinc/36/94/28/341369428.db2.gz OHADKNOXAZQHRR-UYAOXDASSA-N 2 2 314.473 3.921 20 0 DHADLP Clc1ccsc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248654606 341383037 /nfs/dbraw/zinc/38/30/37/341383037.db2.gz AOUAMKQLPJRRON-WFASDCNBSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccsc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248654606 341383038 /nfs/dbraw/zinc/38/30/38/341383038.db2.gz AOUAMKQLPJRRON-WFASDCNBSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccsc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248654606 341383039 /nfs/dbraw/zinc/38/30/39/341383039.db2.gz AOUAMKQLPJRRON-WFASDCNBSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccsc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248654606 341383040 /nfs/dbraw/zinc/38/30/40/341383040.db2.gz AOUAMKQLPJRRON-WFASDCNBSA-N 2 2 310.894 3.850 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000552277427 341383260 /nfs/dbraw/zinc/38/32/60/341383260.db2.gz VFZWTVZFCJMLDN-CQSZACIVSA-N 2 2 304.384 3.822 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccco3)s2)[C@@H](C)C1 ZINC000248731050 341385414 /nfs/dbraw/zinc/38/54/14/341385414.db2.gz LEADFTUQNFNREU-DZGCQCFKSA-N 2 2 319.474 3.565 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccco3)s2)[C@@H](C)C1 ZINC000248731050 341385415 /nfs/dbraw/zinc/38/54/15/341385415.db2.gz LEADFTUQNFNREU-DZGCQCFKSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)[C@@H](C)C1 ZINC000248731050 341385416 /nfs/dbraw/zinc/38/54/16/341385416.db2.gz LEADFTUQNFNREU-DZGCQCFKSA-N 2 2 319.474 3.565 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)[C@@H](C)C1 ZINC000248731050 341385417 /nfs/dbraw/zinc/38/54/17/341385417.db2.gz LEADFTUQNFNREU-DZGCQCFKSA-N 2 2 319.474 3.565 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000248827128 341387739 /nfs/dbraw/zinc/38/77/39/341387739.db2.gz GMIOOQBJMYGBQG-FRQCXROJSA-N 2 2 310.441 3.878 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000248827128 341387740 /nfs/dbraw/zinc/38/77/40/341387740.db2.gz GMIOOQBJMYGBQG-FRQCXROJSA-N 2 2 310.441 3.878 20 0 DHADLP CC(C)C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000249040585 341392561 /nfs/dbraw/zinc/39/25/61/341392561.db2.gz UTCUOZQQPOBIQB-YLJYHZDGSA-N 2 2 317.521 3.810 20 0 DHADLP CC(C)C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000249040585 341392562 /nfs/dbraw/zinc/39/25/62/341392562.db2.gz UTCUOZQQPOBIQB-YLJYHZDGSA-N 2 2 317.521 3.810 20 0 DHADLP CC[C@@H]1CC[C@@H]1[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000554072646 341442638 /nfs/dbraw/zinc/44/26/38/341442638.db2.gz WUOAOLPBIWZORH-LMMKCTJWSA-N 2 2 316.489 3.665 20 0 DHADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000554373915 341452260 /nfs/dbraw/zinc/45/22/60/341452260.db2.gz OAJJNEAFIQEJOP-NOLJZWGESA-N 2 2 314.395 3.881 20 0 DHADLP COCC[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000153427579 341539452 /nfs/dbraw/zinc/53/94/52/341539452.db2.gz ADLNRZWSWQOANE-JKSUJKDBSA-N 2 2 310.507 3.536 20 0 DHADLP COc1ccccc1CC(C)(C)[NH2+]CCCc1c[nH+]ccc1C ZINC000566587036 341562496 /nfs/dbraw/zinc/56/24/96/341562496.db2.gz AKWDSKUPYOERRZ-UHFFFAOYSA-N 2 2 312.457 3.942 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C(C)(C)C)CCOCC1)c1ccccc1 ZINC000153978664 341582389 /nfs/dbraw/zinc/58/23/89/341582389.db2.gz VVZHMIXPNZCMKI-IRXDYDNUSA-N 2 2 318.505 3.911 20 0 DHADLP COc1ccc([C@@H](C[NH2+][C@@H]2CC=C(C)CC2)[NH+]2CCCC2)cc1 ZINC000572587805 341634939 /nfs/dbraw/zinc/63/49/39/341634939.db2.gz QGRGJHJZXGAJFL-UYAOXDASSA-N 2 2 314.473 3.921 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000575800012 341805322 /nfs/dbraw/zinc/80/53/22/341805322.db2.gz ZBVXHUYIJSEWGB-HNNXBMFYSA-N 2 2 323.440 3.632 20 0 DHADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCCNc2ccccc21)c1ccccc1 ZINC000192605365 341879468 /nfs/dbraw/zinc/87/94/68/341879468.db2.gz KNABZRHSVXCLTG-PMACEKPBSA-N 2 2 309.457 3.826 20 0 DHADLP CC(C)[N@H+](Cc1cccs1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267406580 519662133 /nfs/dbraw/zinc/66/21/33/519662133.db2.gz SDFQYACQSKRCKJ-UHFFFAOYSA-N 2 2 312.442 3.739 20 0 DHADLP CC(C)[N@@H+](Cc1cccs1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267406580 519662137 /nfs/dbraw/zinc/66/21/37/519662137.db2.gz SDFQYACQSKRCKJ-UHFFFAOYSA-N 2 2 312.442 3.739 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@H](C)C3(C)CC3)sc2C1 ZINC000363842208 519691162 /nfs/dbraw/zinc/69/11/62/519691162.db2.gz BVXNMUOFBSQVRR-CYBMUJFWSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@H](C)C3(C)CC3)sc2C1 ZINC000363842208 519691163 /nfs/dbraw/zinc/69/11/63/519691163.db2.gz BVXNMUOFBSQVRR-CYBMUJFWSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@H](C)C3(C)CC3)sc2C1 ZINC000363842208 519691165 /nfs/dbraw/zinc/69/11/65/519691165.db2.gz BVXNMUOFBSQVRR-CYBMUJFWSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@H](C)C3(C)CC3)sc2C1 ZINC000363842208 519691167 /nfs/dbraw/zinc/69/11/67/519691167.db2.gz BVXNMUOFBSQVRR-CYBMUJFWSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[C@H](C[NH2+][C@H](C)c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000112522906 519816157 /nfs/dbraw/zinc/81/61/57/519816157.db2.gz HPZULYGWFHCVLV-UTKZUKDTSA-N 2 2 323.484 3.815 20 0 DHADLP CC(C)[C@H](C[NH2+][C@H](C)c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000112522906 519816158 /nfs/dbraw/zinc/81/61/58/519816158.db2.gz HPZULYGWFHCVLV-UTKZUKDTSA-N 2 2 323.484 3.815 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000156584281 521658108 /nfs/dbraw/zinc/65/81/08/521658108.db2.gz LUBKTFNTXYKFEY-ZFWWWQNUSA-N 2 2 308.491 3.552 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000156584281 521658112 /nfs/dbraw/zinc/65/81/12/521658112.db2.gz LUBKTFNTXYKFEY-ZFWWWQNUSA-N 2 2 308.491 3.552 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(F)c1F ZINC000191506485 521662353 /nfs/dbraw/zinc/66/23/53/521662353.db2.gz PUJWVRYNVACJAW-UHFFFAOYSA-N 2 2 307.388 3.636 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(F)c1F ZINC000191506485 521662357 /nfs/dbraw/zinc/66/23/57/521662357.db2.gz PUJWVRYNVACJAW-UHFFFAOYSA-N 2 2 307.388 3.636 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CCCSC3)ccc2n1C1CC1 ZINC000338449928 522486446 /nfs/dbraw/zinc/48/64/46/522486446.db2.gz YYRJKQNBQGDGAY-AWEZNQCLSA-N 2 2 315.486 3.919 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccco1 ZINC000156629270 522731168 /nfs/dbraw/zinc/73/11/68/522731168.db2.gz XBVPYMHPKOUBDQ-NXHRZFHOSA-N 2 2 320.477 3.600 20 0 DHADLP CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000130068361 522967180 /nfs/dbraw/zinc/96/71/80/522967180.db2.gz NYJFCDKEHWZWOZ-LJQANCHMSA-N 2 2 306.413 3.850 20 0 DHADLP CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000130068361 522967193 /nfs/dbraw/zinc/96/71/93/522967193.db2.gz NYJFCDKEHWZWOZ-LJQANCHMSA-N 2 2 306.413 3.850 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130605056 523858989 /nfs/dbraw/zinc/85/89/89/523858989.db2.gz BVXRTETXCDKIFM-HNNXBMFYSA-N 2 2 309.413 3.545 20 0 DHADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289240220 534759655 /nfs/dbraw/zinc/75/96/55/534759655.db2.gz LAWKUSIVDKRWBX-HNNXBMFYSA-N 2 2 311.429 3.632 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2cccnc2)c1 ZINC000366295281 524473019 /nfs/dbraw/zinc/47/30/19/524473019.db2.gz KCQUNNDEJUKUJP-DUXKGJEZSA-N 2 2 323.484 3.860 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cccnc2)c1 ZINC000366295281 524473026 /nfs/dbraw/zinc/47/30/26/524473026.db2.gz KCQUNNDEJUKUJP-DUXKGJEZSA-N 2 2 323.484 3.860 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156459496 524510767 /nfs/dbraw/zinc/51/07/67/524510767.db2.gz KTQZMNMWMYAXBM-WBMJQRKESA-N 2 2 307.800 3.759 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156459496 524510772 /nfs/dbraw/zinc/51/07/72/524510772.db2.gz KTQZMNMWMYAXBM-WBMJQRKESA-N 2 2 307.800 3.759 20 0 DHADLP Cc1cccc(NCc2[nH+]ccn2CCCc2ccccc2)[nH+]1 ZINC000157916502 524686723 /nfs/dbraw/zinc/68/67/23/524686723.db2.gz BGYRRNVUMTVDBR-UHFFFAOYSA-N 2 2 306.413 3.831 20 0 DHADLP COc1ccc([C@@H](CNc2cccc(C)[nH+]2)[NH+]2CCCC2)cc1 ZINC000156918148 525186858 /nfs/dbraw/zinc/18/68/58/525186858.db2.gz PKLAEWLRYOQYON-GOSISDBHSA-N 2 2 311.429 3.648 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000366430569 525288796 /nfs/dbraw/zinc/28/87/96/525288796.db2.gz IUTUEIKRWLUBNX-VQSBYGRUSA-N 3 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccncc1F ZINC000338008054 525296536 /nfs/dbraw/zinc/29/65/36/525296536.db2.gz OBVYJGCMKSJDMV-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP CSC1(C[NH2+]C2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000366047004 525330115 /nfs/dbraw/zinc/33/01/15/525330115.db2.gz SXUREYCKFZSEOE-UHFFFAOYSA-N 2 2 310.532 3.588 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2o1 ZINC000119973278 525339091 /nfs/dbraw/zinc/33/90/91/525339091.db2.gz IUYQFQFUMOCDCN-XHSDSOJGSA-N 2 2 316.445 3.583 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2o1 ZINC000119973278 525339101 /nfs/dbraw/zinc/33/91/01/525339101.db2.gz IUYQFQFUMOCDCN-XHSDSOJGSA-N 2 2 316.445 3.583 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+]CC2=CCCOC2)CCCC1)c1ccccc1 ZINC000127454364 525391798 /nfs/dbraw/zinc/39/17/98/525391798.db2.gz KJEKREFNRFBQOS-QGZVFWFLSA-N 2 2 314.473 3.586 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccncc1F ZINC000338024042 525401087 /nfs/dbraw/zinc/40/10/87/525401087.db2.gz YBGVIJLOBMFKMF-CQSZACIVSA-N 2 2 305.441 3.668 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000161515164 525401887 /nfs/dbraw/zinc/40/18/87/525401887.db2.gz UFVAVYPHZVMFKY-CYBMUJFWSA-N 2 2 301.459 3.555 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC(C)(C)C)cc1 ZINC000156702147 525446240 /nfs/dbraw/zinc/44/62/40/525446240.db2.gz DFUZTJXFWQUOHZ-OAHLLOKOSA-N 2 2 301.434 3.801 20 0 DHADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(OCc2ccccc2)c1 ZINC000155632307 525469541 /nfs/dbraw/zinc/46/95/41/525469541.db2.gz CQSQLFKNYDFSHW-QGZVFWFLSA-N 2 2 321.424 3.813 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]C[C@H](C)c1cccc(Cl)c1)C2 ZINC000364854503 525918372 /nfs/dbraw/zinc/91/83/72/525918372.db2.gz OAEPSJJTOIZXDU-BLLLJJGKSA-N 2 2 303.837 3.553 20 0 DHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cnn1C(C)C ZINC000191205341 525919185 /nfs/dbraw/zinc/91/91/85/525919185.db2.gz FXBNRTLKWMCKSI-HNNXBMFYSA-N 2 2 323.444 3.809 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]C[C@@H](C)c1cccc(Cl)c1)C2 ZINC000364854506 525924930 /nfs/dbraw/zinc/92/49/30/525924930.db2.gz OAEPSJJTOIZXDU-WBMJQRKESA-N 2 2 303.837 3.553 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(C)cc(Cl)c1)CCC2 ZINC000339285258 525937630 /nfs/dbraw/zinc/93/76/30/525937630.db2.gz HHTCGMAHDJOODN-OAHLLOKOSA-N 2 2 303.837 3.821 20 0 DHADLP FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000338005746 526285781 /nfs/dbraw/zinc/28/57/81/526285781.db2.gz YORMDKQUYWRUJB-MOPGFXCFSA-N 2 2 315.436 3.939 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)c1 ZINC000337299751 526547786 /nfs/dbraw/zinc/54/77/86/526547786.db2.gz PGVBKQRLQPMNIF-POAQFYNOSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)c1 ZINC000337299751 526547791 /nfs/dbraw/zinc/54/77/91/526547791.db2.gz PGVBKQRLQPMNIF-POAQFYNOSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]CC[NH+]3CCCCCC3)C2)c1 ZINC000337334591 526547805 /nfs/dbraw/zinc/54/78/05/526547805.db2.gz KSZXTDHUKSURFG-IEBWSBKVSA-N 2 2 301.478 3.573 20 0 DHADLP Cc1sccc1C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000339237087 526918180 /nfs/dbraw/zinc/91/81/80/526918180.db2.gz MCOQTTSPDJYPJK-KBXCAEBGSA-N 2 2 300.471 3.982 20 0 DHADLP Cc1sccc1C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000339237087 526918186 /nfs/dbraw/zinc/91/81/86/526918186.db2.gz MCOQTTSPDJYPJK-KBXCAEBGSA-N 2 2 300.471 3.982 20 0 DHADLP CCc1cnc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340257624 536052392 /nfs/dbraw/zinc/05/23/92/536052392.db2.gz YWZAXQXDOHGSLW-WBVHZDCISA-N 2 2 315.486 3.631 20 0 DHADLP CCc1cnc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340257624 536052396 /nfs/dbraw/zinc/05/23/96/536052396.db2.gz YWZAXQXDOHGSLW-WBVHZDCISA-N 2 2 315.486 3.631 20 0 DHADLP Cc1cccc(CC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000517736499 1013053000 /nfs/dbraw/zinc/05/30/00/1013053000.db2.gz TUECQJPSZBZPSJ-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP Cc1cccc(CC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000517736499 1013053018 /nfs/dbraw/zinc/05/30/18/1013053018.db2.gz TUECQJPSZBZPSJ-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@@H](c3cccnc3)C3CC3)cc2)c[nH+]1 ZINC000340109048 1013308832 /nfs/dbraw/zinc/30/88/32/1013308832.db2.gz OKPBXSBMCLIFAI-LJQANCHMSA-N 2 2 304.397 3.508 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Oc2ccccn2)c1 ZINC000894477045 1013382882 /nfs/dbraw/zinc/38/28/82/1013382882.db2.gz XLCDSFFXWILBOW-UHFFFAOYSA-N 2 2 322.412 3.593 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(Oc2ccccn2)c1 ZINC000894477045 1013382889 /nfs/dbraw/zinc/38/28/89/1013382889.db2.gz XLCDSFFXWILBOW-UHFFFAOYSA-N 2 2 322.412 3.593 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)o1 ZINC000340368420 1013524352 /nfs/dbraw/zinc/52/43/52/1013524352.db2.gz FZNUSQQJWAXYNL-VKJFTORMSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)o1 ZINC000340368420 1013524359 /nfs/dbraw/zinc/52/43/59/1013524359.db2.gz FZNUSQQJWAXYNL-VKJFTORMSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)C2CC2)o1 ZINC000340368420 1013524366 /nfs/dbraw/zinc/52/43/66/1013524366.db2.gz FZNUSQQJWAXYNL-VKJFTORMSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](CC[C@@H]2CCC[N@H+]2C)C2CC2)o1 ZINC000340368420 1013524376 /nfs/dbraw/zinc/52/43/76/1013524376.db2.gz FZNUSQQJWAXYNL-VKJFTORMSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000634680712 1013536492 /nfs/dbraw/zinc/53/64/92/1013536492.db2.gz ZKHKPLXHVQLOQK-WBVHZDCISA-N 2 2 304.478 3.663 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000634680709 1013537041 /nfs/dbraw/zinc/53/70/41/1013537041.db2.gz ZKHKPLXHVQLOQK-DOTOQJQBSA-N 2 2 304.478 3.663 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000519867355 1013616738 /nfs/dbraw/zinc/61/67/38/1013616738.db2.gz RYJDHJHSEQQCHI-HXUWFJFHSA-N 2 2 318.424 3.913 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000519867355 1013616741 /nfs/dbraw/zinc/61/67/41/1013616741.db2.gz RYJDHJHSEQQCHI-HXUWFJFHSA-N 2 2 318.424 3.913 20 0 DHADLP CCCc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655703588 1013654797 /nfs/dbraw/zinc/65/47/97/1013654797.db2.gz IRAQDGVYPGUOFE-OXQOHEQNSA-N 2 2 316.489 3.543 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655738676 1013676591 /nfs/dbraw/zinc/67/65/91/1013676591.db2.gz PCIIWNMZNPCGID-GOEBONIOSA-N 2 2 322.880 3.634 20 0 DHADLP c1cc2cc(CC[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)ccc2[nH]1 ZINC000441208724 1013690195 /nfs/dbraw/zinc/69/01/95/1013690195.db2.gz OHDZEHUDLCOKRY-UHFFFAOYSA-N 2 2 316.408 3.686 20 0 DHADLP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655755650 1013691323 /nfs/dbraw/zinc/69/13/23/1013691323.db2.gz HGLLGDAAPJLTCV-LMMKCTJWSA-N 2 2 322.537 3.824 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000655849467 1013775304 /nfs/dbraw/zinc/77/53/04/1013775304.db2.gz VKUHWFQBBTVYRE-JQFCIGGWSA-N 2 2 306.425 3.502 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1F ZINC000655849467 1013775309 /nfs/dbraw/zinc/77/53/09/1013775309.db2.gz VKUHWFQBBTVYRE-JQFCIGGWSA-N 2 2 306.425 3.502 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnn(C2CCCC2)c1 ZINC000655849463 1013775472 /nfs/dbraw/zinc/77/54/72/1013775472.db2.gz VHPHMNVGHZYUCO-SNRMKQJTSA-N 2 2 316.493 3.666 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnn(C2CCCC2)c1 ZINC000655849463 1013775475 /nfs/dbraw/zinc/77/54/75/1013775475.db2.gz VHPHMNVGHZYUCO-SNRMKQJTSA-N 2 2 316.493 3.666 20 0 DHADLP Fc1cccc(C2CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000655849147 1013778919 /nfs/dbraw/zinc/77/89/19/1013778919.db2.gz PKSXYKXRJZQCSY-SOTJZCEJSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1cccc(C2CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000655849147 1013778921 /nfs/dbraw/zinc/77/89/21/1013778921.db2.gz PKSXYKXRJZQCSY-SOTJZCEJSA-N 2 2 302.437 3.678 20 0 DHADLP CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340439783 1013793500 /nfs/dbraw/zinc/79/35/00/1013793500.db2.gz DICUWMYKHSQPAN-ZDUSSCGKSA-N 2 2 310.401 3.582 20 0 DHADLP Clc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000070211840 1013809919 /nfs/dbraw/zinc/80/99/19/1013809919.db2.gz XSWXZTSNVQHBNP-UHFFFAOYSA-N 2 2 303.818 3.877 20 0 DHADLP C[C@H]1C[N@H+](CCSc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000251587656 1021237451 /nfs/dbraw/zinc/23/74/51/1021237451.db2.gz CQGWRBWMQYPVIN-GXFFZTMASA-N 2 2 319.301 3.755 20 0 DHADLP C[C@H]1C[N@@H+](CCSc2cc(Cl)ccc2Cl)CC[C@H]1[NH3+] ZINC000251587656 1021237461 /nfs/dbraw/zinc/23/74/61/1021237461.db2.gz CQGWRBWMQYPVIN-GXFFZTMASA-N 2 2 319.301 3.755 20 0 DHADLP C[C@H](CC[NH2+][C@H](C)c1ccncc1F)[N@H+](C)Cc1ccccc1 ZINC000340525245 1013917447 /nfs/dbraw/zinc/91/74/47/1013917447.db2.gz KLHPPWBDNGLRPN-HZPDHXFCSA-N 2 2 315.436 3.782 20 0 DHADLP C[C@H](CC[NH2+][C@H](C)c1ccncc1F)[N@@H+](C)Cc1ccccc1 ZINC000340525245 1013917452 /nfs/dbraw/zinc/91/74/52/1013917452.db2.gz KLHPPWBDNGLRPN-HZPDHXFCSA-N 2 2 315.436 3.782 20 0 DHADLP Fc1cccc(F)c1[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000189221735 1014160248 /nfs/dbraw/zinc/16/02/48/1014160248.db2.gz YGWQXWNWVNVIMB-HNNXBMFYSA-N 2 2 308.416 3.630 20 0 DHADLP Fc1cccc(F)c1[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000189221735 1014160258 /nfs/dbraw/zinc/16/02/58/1014160258.db2.gz YGWQXWNWVNVIMB-HNNXBMFYSA-N 2 2 308.416 3.630 20 0 DHADLP CCc1onc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001167424152 1014254945 /nfs/dbraw/zinc/25/49/45/1014254945.db2.gz CHIWBTFZMWTQFS-NVXWUHKLSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1onc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001167424152 1014254950 /nfs/dbraw/zinc/25/49/50/1014254950.db2.gz CHIWBTFZMWTQFS-NVXWUHKLSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1onc(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001167424152 1014254957 /nfs/dbraw/zinc/25/49/57/1014254957.db2.gz CHIWBTFZMWTQFS-NVXWUHKLSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1onc(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001167424152 1014254962 /nfs/dbraw/zinc/25/49/62/1014254962.db2.gz CHIWBTFZMWTQFS-NVXWUHKLSA-N 2 2 319.493 3.632 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cs2)c2ccccc21 ZINC000132124377 1014261779 /nfs/dbraw/zinc/26/17/79/1014261779.db2.gz YWAKVZMKXNNCCE-ZIAGYGMSSA-N 2 2 323.259 3.745 20 0 DHADLP C[C@@H]1CC([NH2+]Cc2ccccn2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005148 1014394303 /nfs/dbraw/zinc/39/43/03/1014394303.db2.gz GWRQWJMOPXGJTB-IAGOWNOFSA-N 2 2 309.457 3.613 20 0 DHADLP Cc1cccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168005775 1014408989 /nfs/dbraw/zinc/40/89/89/1014408989.db2.gz KGFOQCHABAXUMC-ROUUACIJSA-N 2 2 323.484 3.921 20 0 DHADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000427623105 1014431355 /nfs/dbraw/zinc/43/13/55/1014431355.db2.gz UWZRETYEKIFHSK-HXUWFJFHSA-N 2 2 323.484 3.907 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427852150 1014537478 /nfs/dbraw/zinc/53/74/78/1014537478.db2.gz DYFYWRJPXSIYJO-ULQDDVLXSA-N 2 2 315.848 3.777 20 0 DHADLP Fc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCCC2)cc1 ZINC000427850860 1014539173 /nfs/dbraw/zinc/53/91/73/1014539173.db2.gz QKENWKKEAROXSW-PKOBYXMFSA-N 2 2 313.420 3.858 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc2cc(Cl)ccc2o1 ZINC000427875526 1014541915 /nfs/dbraw/zinc/54/19/15/1014541915.db2.gz KDGYGCVILRCORR-RISCZKNCSA-N 2 2 315.804 3.948 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)sc1Cl ZINC000427868206 1014545524 /nfs/dbraw/zinc/54/55/24/1014545524.db2.gz QHATVXRJKSGLPV-DTWKUNHWSA-N 2 2 316.257 3.917 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000427887952 1014549118 /nfs/dbraw/zinc/54/91/18/1014549118.db2.gz VFXFFSLEBBKTDJ-OCCSQVGLSA-N 2 2 319.861 3.678 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000581098612 1014558362 /nfs/dbraw/zinc/55/83/62/1014558362.db2.gz HJCUEIGRBDOHDI-AWFCHZOYSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000581098612 1014558372 /nfs/dbraw/zinc/55/83/72/1014558372.db2.gz HJCUEIGRBDOHDI-AWFCHZOYSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000581098612 1014558381 /nfs/dbraw/zinc/55/83/81/1014558381.db2.gz HJCUEIGRBDOHDI-AWFCHZOYSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000581098612 1014558388 /nfs/dbraw/zinc/55/83/88/1014558388.db2.gz HJCUEIGRBDOHDI-AWFCHZOYSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000665278037 1014653146 /nfs/dbraw/zinc/65/31/46/1014653146.db2.gz TWGVYAGEEONGAA-DSSZZKGTSA-N 2 2 312.379 3.888 20 0 DHADLP c1c2ccccc2oc1[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000581364008 1014736999 /nfs/dbraw/zinc/73/69/99/1014736999.db2.gz GOBGTHXYVQYYDK-YWZLYKJASA-N 2 2 321.424 3.506 20 0 DHADLP CC=C(NC=[NH2+])N1c2sc(C)cc2C(=[NH2+])Nc2ccccc21 ZINC001167457280 1014760992 /nfs/dbraw/zinc/76/09/92/1014760992.db2.gz WASBVLALYHHKLV-LZWSPWQCSA-N 2 2 311.414 3.603 20 0 DHADLP CCC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccsc1 ZINC000443084448 1014812140 /nfs/dbraw/zinc/81/21/40/1014812140.db2.gz GPWTVGCTHZTWQT-INIZCTEOSA-N 2 2 303.475 3.954 20 0 DHADLP C[N@H+](CCC[NH2+]Cc1cnc(C(C)(C)C)nc1)C1CCCCC1 ZINC000323850691 1014919610 /nfs/dbraw/zinc/91/96/10/1014919610.db2.gz YFNQWMXNWCGJTG-UHFFFAOYSA-N 2 2 318.509 3.518 20 0 DHADLP C[N@@H+](CCC[NH2+]Cc1cnc(C(C)(C)C)nc1)C1CCCCC1 ZINC000323850691 1014919618 /nfs/dbraw/zinc/91/96/18/1014919618.db2.gz YFNQWMXNWCGJTG-UHFFFAOYSA-N 2 2 318.509 3.518 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@]1(C)CCCO1)c1ccccc1 ZINC000581598395 1015034195 /nfs/dbraw/zinc/03/41/95/1015034195.db2.gz GFYSKMUNRPFPBB-QRQLOZEOSA-N 2 2 304.478 3.617 20 0 DHADLP c1ccc(NC2CCN(c3cc[nH+]c4ccccc43)CC2)[nH+]c1 ZINC000895353762 1015089682 /nfs/dbraw/zinc/08/96/82/1015089682.db2.gz UWLMCDJVXPWHHN-UHFFFAOYSA-N 2 2 304.397 3.711 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]C/C(C)=C\c2ccccc2)CC1 ZINC000341278592 1015126721 /nfs/dbraw/zinc/12/67/21/1015126721.db2.gz FSDGRZKXZWWVAD-VKAVYKQESA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CS1 ZINC000895705985 1015264666 /nfs/dbraw/zinc/26/46/66/1015264666.db2.gz GRKBEDPMEJVUIN-SQNIBIBYSA-N 2 2 315.486 3.744 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CC(F)(F)C1 ZINC000895705772 1015265392 /nfs/dbraw/zinc/26/53/92/1015265392.db2.gz FVKSSBCOFWYIEK-CZUORRHYSA-N 2 2 305.372 3.648 20 0 DHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341452431 1015393562 /nfs/dbraw/zinc/39/35/62/1015393562.db2.gz IMVHPTLRGRKTDG-UHFFFAOYSA-N 2 2 324.472 3.751 20 0 DHADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595970 1015476019 /nfs/dbraw/zinc/47/60/19/1015476019.db2.gz JAJFSJSHIJKHFN-FRRDWIJNSA-N 2 2 300.899 3.823 20 0 DHADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595970 1015476023 /nfs/dbraw/zinc/47/60/23/1015476023.db2.gz JAJFSJSHIJKHFN-FRRDWIJNSA-N 2 2 300.899 3.823 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccn2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040210 1015529227 /nfs/dbraw/zinc/52/92/27/1015529227.db2.gz LCEPXXHGUNOSTQ-RMFSNUHRSA-N 2 2 323.484 3.955 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040210 1015529238 /nfs/dbraw/zinc/52/92/38/1015529238.db2.gz LCEPXXHGUNOSTQ-RMFSNUHRSA-N 2 2 323.484 3.955 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040210 1015529249 /nfs/dbraw/zinc/52/92/49/1015529249.db2.gz LCEPXXHGUNOSTQ-RMFSNUHRSA-N 2 2 323.484 3.955 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccn2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040210 1015529257 /nfs/dbraw/zinc/52/92/57/1015529257.db2.gz LCEPXXHGUNOSTQ-RMFSNUHRSA-N 2 2 323.484 3.955 20 0 DHADLP C[C@@H](CC[NH2+]Cc1ccc(Cl)cn1)[N@H+](C)Cc1ccccc1 ZINC000707456272 1015540725 /nfs/dbraw/zinc/54/07/25/1015540725.db2.gz NZWFFNWLRHDIOT-HNNXBMFYSA-N 2 2 317.864 3.735 20 0 DHADLP C[C@@H](CC[NH2+]Cc1ccc(Cl)cn1)[N@@H+](C)Cc1ccccc1 ZINC000707456272 1015540733 /nfs/dbraw/zinc/54/07/33/1015540733.db2.gz NZWFFNWLRHDIOT-HNNXBMFYSA-N 2 2 317.864 3.735 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1csc(C(F)(F)F)c1 ZINC000926230594 1015618838 /nfs/dbraw/zinc/61/88/38/1015618838.db2.gz VZQJHUJAXDYUIB-ONGXEEELSA-N 2 2 315.364 3.629 20 0 DHADLP C[C@H]1CC([N@H+](C)Cc2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042604 1015628421 /nfs/dbraw/zinc/62/84/21/1015628421.db2.gz ZYLOZTFUHFEPRA-ROUUACIJSA-N 2 2 323.484 3.955 20 0 DHADLP C[C@H]1CC([N@@H+](C)Cc2cccnc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042604 1015628427 /nfs/dbraw/zinc/62/84/27/1015628427.db2.gz ZYLOZTFUHFEPRA-ROUUACIJSA-N 2 2 323.484 3.955 20 0 DHADLP CCSC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001173298121 1033656061 /nfs/dbraw/zinc/65/60/61/1033656061.db2.gz JWPIREXBNOFZMJ-HNNXBMFYSA-N 2 2 324.509 3.830 20 0 DHADLP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000684559931 1015744344 /nfs/dbraw/zinc/74/43/44/1015744344.db2.gz BDOGJHDJMFGSEM-JRSKDTKFSA-N 2 2 306.400 3.559 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341869829 1015781496 /nfs/dbraw/zinc/78/14/96/1015781496.db2.gz AKVGNDAZHOQIOY-WSTZPKSXSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341869829 1015781499 /nfs/dbraw/zinc/78/14/99/1015781499.db2.gz AKVGNDAZHOQIOY-WSTZPKSXSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1CCC[C@H](C)[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341869829 1015781500 /nfs/dbraw/zinc/78/15/00/1015781500.db2.gz AKVGNDAZHOQIOY-WSTZPKSXSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1CCC[C@H](C)[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341869829 1015781505 /nfs/dbraw/zinc/78/15/05/1015781505.db2.gz AKVGNDAZHOQIOY-WSTZPKSXSA-N 2 2 316.489 3.540 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000277048150 1015858850 /nfs/dbraw/zinc/85/88/50/1015858850.db2.gz CFQVNUCXWBSZAA-CQSZACIVSA-N 2 2 300.368 3.622 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000277048150 1015858856 /nfs/dbraw/zinc/85/88/56/1015858856.db2.gz CFQVNUCXWBSZAA-CQSZACIVSA-N 2 2 300.368 3.622 20 0 DHADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)CC(F)F ZINC000647226336 1015870030 /nfs/dbraw/zinc/87/00/30/1015870030.db2.gz CMAXQQDNJDRHMC-GOEBONIOSA-N 2 2 310.432 3.920 20 0 DHADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)CC(F)F ZINC000647226336 1015870033 /nfs/dbraw/zinc/87/00/33/1015870033.db2.gz CMAXQQDNJDRHMC-GOEBONIOSA-N 2 2 310.432 3.920 20 0 DHADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(C4CCCCC4)n3)C[C@H]21 ZINC000342092731 1015952664 /nfs/dbraw/zinc/95/26/64/1015952664.db2.gz VWODUAWKRPXMLG-USXIJHARSA-N 2 2 319.518 3.750 20 0 DHADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(C4CCCCC4)n3)C[C@H]21 ZINC000342092731 1015952670 /nfs/dbraw/zinc/95/26/70/1015952670.db2.gz VWODUAWKRPXMLG-USXIJHARSA-N 2 2 319.518 3.750 20 0 DHADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(Cl)ccc1OC ZINC000151116499 1016020661 /nfs/dbraw/zinc/02/06/61/1016020661.db2.gz JGFLNAQIFBWSPQ-HNNXBMFYSA-N 2 2 307.825 3.676 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCCC2 ZINC000151133952 1016020711 /nfs/dbraw/zinc/02/07/11/1016020711.db2.gz VCFVFOHKIGWBPP-QGZVFWFLSA-N 2 2 303.837 3.984 20 0 DHADLP c1cc2cccc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)c2[nH]1 ZINC000342328667 1016270875 /nfs/dbraw/zinc/27/08/75/1016270875.db2.gz FICRCDMBBFDERG-UHFFFAOYSA-N 2 2 308.410 3.705 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892134387 1016283346 /nfs/dbraw/zinc/28/33/46/1016283346.db2.gz ZMCOWEASCOXFRK-CQSZACIVSA-N 2 2 314.395 3.927 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892134387 1016283348 /nfs/dbraw/zinc/28/33/48/1016283348.db2.gz ZMCOWEASCOXFRK-CQSZACIVSA-N 2 2 314.395 3.927 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892134387 1016283351 /nfs/dbraw/zinc/28/33/51/1016283351.db2.gz ZMCOWEASCOXFRK-CQSZACIVSA-N 2 2 314.395 3.927 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892134387 1016283352 /nfs/dbraw/zinc/28/33/52/1016283352.db2.gz ZMCOWEASCOXFRK-CQSZACIVSA-N 2 2 314.395 3.927 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892144169 1016294445 /nfs/dbraw/zinc/29/44/45/1016294445.db2.gz LPTYXHIEZBSUMO-CYBMUJFWSA-N 2 2 300.368 3.537 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892144169 1016294450 /nfs/dbraw/zinc/29/44/50/1016294450.db2.gz LPTYXHIEZBSUMO-CYBMUJFWSA-N 2 2 300.368 3.537 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892144169 1016294454 /nfs/dbraw/zinc/29/44/54/1016294454.db2.gz LPTYXHIEZBSUMO-CYBMUJFWSA-N 2 2 300.368 3.537 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000892144169 1016294459 /nfs/dbraw/zinc/29/44/59/1016294459.db2.gz LPTYXHIEZBSUMO-CYBMUJFWSA-N 2 2 300.368 3.537 20 0 DHADLP CCOc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)c1 ZINC000657327025 1016342150 /nfs/dbraw/zinc/34/21/50/1016342150.db2.gz HIILDBWFQOGGGB-UHFFFAOYSA-N 2 2 321.424 3.869 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043389701 1016404978 /nfs/dbraw/zinc/40/49/78/1016404978.db2.gz VQKZBUGXKMTAAN-OAHLLOKOSA-N 2 2 309.816 3.880 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268891 1016544814 /nfs/dbraw/zinc/54/48/14/1016544814.db2.gz HWHZBALVNRMNSS-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268891 1016544829 /nfs/dbraw/zinc/54/48/29/1016544829.db2.gz HWHZBALVNRMNSS-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268891 1016544838 /nfs/dbraw/zinc/54/48/38/1016544838.db2.gz HWHZBALVNRMNSS-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268891 1016544850 /nfs/dbraw/zinc/54/48/50/1016544850.db2.gz HWHZBALVNRMNSS-BBRMVZONSA-N 2 2 313.272 3.910 20 0 DHADLP Clc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000179178818 1017220005 /nfs/dbraw/zinc/22/00/05/1017220005.db2.gz QIZJYMHBSMBHES-DOMZBBRYSA-N 2 2 310.894 3.850 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000342584241 1016807848 /nfs/dbraw/zinc/80/78/48/1016807848.db2.gz QQFYKROBUVOUGN-OAQYLSRUSA-N 2 2 317.436 3.839 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000342584241 1016807859 /nfs/dbraw/zinc/80/78/59/1016807859.db2.gz QQFYKROBUVOUGN-OAQYLSRUSA-N 2 2 317.436 3.839 20 0 DHADLP Clc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000179178818 1017220009 /nfs/dbraw/zinc/22/00/09/1017220009.db2.gz QIZJYMHBSMBHES-DOMZBBRYSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000179178818 1017220016 /nfs/dbraw/zinc/22/00/16/1017220016.db2.gz QIZJYMHBSMBHES-DOMZBBRYSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000179178818 1017220021 /nfs/dbraw/zinc/22/00/21/1017220021.db2.gz QIZJYMHBSMBHES-DOMZBBRYSA-N 2 2 310.894 3.850 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)CC1(C)C ZINC000623376916 1017001018 /nfs/dbraw/zinc/00/10/18/1017001018.db2.gz HOGHWGBKZCRGKR-GFCCVEGCSA-N 2 2 323.893 3.912 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)CC1(C)C ZINC000623376916 1017001029 /nfs/dbraw/zinc/00/10/29/1017001029.db2.gz HOGHWGBKZCRGKR-GFCCVEGCSA-N 2 2 323.893 3.912 20 0 DHADLP C[C@H]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000152798724 1017015623 /nfs/dbraw/zinc/01/56/23/1017015623.db2.gz ANIQDUWIMPLKRJ-HNAYVOBHSA-N 2 2 309.457 3.990 20 0 DHADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000152810266 1017025085 /nfs/dbraw/zinc/02/50/85/1017025085.db2.gz VPLHYSXBTYXYMY-QGZVFWFLSA-N 2 2 301.409 3.642 20 0 DHADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1OC ZINC000152816025 1017022844 /nfs/dbraw/zinc/02/28/44/1017022844.db2.gz AWHCOAIQIKEQDS-QGZVFWFLSA-N 2 2 313.445 3.511 20 0 DHADLP C[C@@H]1C[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001168057797 1017044936 /nfs/dbraw/zinc/04/49/36/1017044936.db2.gz NTXYTSLHTUMTAA-XLAORIBOSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)CO1 ZINC001168057797 1017044951 /nfs/dbraw/zinc/04/49/51/1017044951.db2.gz NTXYTSLHTUMTAA-XLAORIBOSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003446 1032380352 /nfs/dbraw/zinc/38/03/52/1032380352.db2.gz DTUHHGRIGQQJJL-ZIAGYGMSSA-N 2 2 319.399 3.714 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003446 1032380366 /nfs/dbraw/zinc/38/03/66/1032380366.db2.gz DTUHHGRIGQQJJL-ZIAGYGMSSA-N 2 2 319.399 3.714 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1F ZINC000348183122 1032492064 /nfs/dbraw/zinc/49/20/64/1032492064.db2.gz AJWDCYNZEKRTHX-OAHLLOKOSA-N 2 2 309.388 3.921 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171345502 1032505365 /nfs/dbraw/zinc/50/53/65/1032505365.db2.gz JLXUERFNUBVJPQ-RHSMWYFYSA-N 2 2 322.443 3.532 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563936 1032544614 /nfs/dbraw/zinc/54/46/14/1032544614.db2.gz ZCEQUOMYKKKCHF-XYJFISCASA-N 2 2 302.462 3.853 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563936 1032544626 /nfs/dbraw/zinc/54/46/26/1032544626.db2.gz ZCEQUOMYKKKCHF-XYJFISCASA-N 2 2 302.462 3.853 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563933 1032546186 /nfs/dbraw/zinc/54/61/86/1032546186.db2.gz ZCEQUOMYKKKCHF-RYRKJORJSA-N 2 2 302.462 3.853 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563933 1032546189 /nfs/dbraw/zinc/54/61/89/1032546189.db2.gz ZCEQUOMYKKKCHF-RYRKJORJSA-N 2 2 302.462 3.853 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)CC[N@@H+]1C ZINC000093644356 1032550477 /nfs/dbraw/zinc/55/04/77/1032550477.db2.gz AQMUNUUJMNXMAF-GXTWGEPZSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccsc3)s2)CC[N@H+]1C ZINC000093644356 1032550479 /nfs/dbraw/zinc/55/04/79/1032550479.db2.gz AQMUNUUJMNXMAF-GXTWGEPZSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(-c3ccsc3)s2)CC[NH+]1C ZINC000093644356 1032550480 /nfs/dbraw/zinc/55/04/80/1032550480.db2.gz AQMUNUUJMNXMAF-GXTWGEPZSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3ccsc3)s2)CC[NH+]1C ZINC000093644356 1032550484 /nfs/dbraw/zinc/55/04/84/1032550484.db2.gz AQMUNUUJMNXMAF-GXTWGEPZSA-N 2 2 321.515 3.786 20 0 DHADLP COc1cccc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)oc21 ZINC000092072004 1011987035 /nfs/dbraw/zinc/98/70/35/1011987035.db2.gz FVYNCGHSZFDHGU-AWEZNQCLSA-N 2 2 311.385 3.544 20 0 DHADLP COc1cccc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)oc21 ZINC000092072004 1011987055 /nfs/dbraw/zinc/98/70/55/1011987055.db2.gz FVYNCGHSZFDHGU-AWEZNQCLSA-N 2 2 311.385 3.544 20 0 DHADLP Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000153943696 1012180996 /nfs/dbraw/zinc/18/09/96/1012180996.db2.gz NLEVQZGYADYGBI-GFCCVEGCSA-N 2 2 310.401 3.636 20 0 DHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001206767649 1012199781 /nfs/dbraw/zinc/19/97/81/1012199781.db2.gz DCLZTBJQMPMLJA-NXEZZACHSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001206767649 1012199788 /nfs/dbraw/zinc/19/97/88/1012199788.db2.gz DCLZTBJQMPMLJA-NXEZZACHSA-N 2 2 322.321 3.543 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000637999392 1012315493 /nfs/dbraw/zinc/31/54/93/1012315493.db2.gz NQJHVWIWCFDQJT-UHFFFAOYSA-N 2 2 314.395 3.754 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000281171750 1012320548 /nfs/dbraw/zinc/32/05/48/1012320548.db2.gz QTOZJZLIKSQLCZ-KGLIPLIRSA-N 2 2 305.372 3.958 20 0 DHADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCc3c(F)cccc3C2)cc1 ZINC001171417856 1032625553 /nfs/dbraw/zinc/62/55/53/1032625553.db2.gz GHIRTQRREIEQKB-QGZVFWFLSA-N 2 2 321.399 3.878 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(F)cc(C)cc1F ZINC000425378492 1012515298 /nfs/dbraw/zinc/51/52/98/1012515298.db2.gz JVQMFVDAMFQLNX-UHFFFAOYSA-N 2 2 321.415 3.944 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(F)cc(C)cc1F ZINC000425378492 1012515306 /nfs/dbraw/zinc/51/53/06/1012515306.db2.gz JVQMFVDAMFQLNX-UHFFFAOYSA-N 2 2 321.415 3.944 20 0 DHADLP CSc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000037156082 1032640684 /nfs/dbraw/zinc/64/06/84/1032640684.db2.gz HALYFLQGFVBBJL-INIZCTEOSA-N 2 2 303.475 3.810 20 0 DHADLP Clc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000036932135 1012704524 /nfs/dbraw/zinc/70/45/24/1012704524.db2.gz OWKMOMMUGHDLGM-UHFFFAOYSA-N 2 2 307.850 3.555 20 0 DHADLP Fc1ccc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167960767 1012737609 /nfs/dbraw/zinc/73/76/09/1012737609.db2.gz BVHRRAJAJHCQDV-ALOPSCKCSA-N 2 2 322.855 3.974 20 0 DHADLP Fc1ccc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960767 1012737615 /nfs/dbraw/zinc/73/76/15/1012737615.db2.gz BVHRRAJAJHCQDV-ALOPSCKCSA-N 2 2 322.855 3.974 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc(F)cc3F)CCCC2)n1C ZINC000516785706 1012829166 /nfs/dbraw/zinc/82/91/66/1012829166.db2.gz STFXUQRQLOFDDI-UHFFFAOYSA-N 2 2 319.399 3.608 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001172859693 1033428384 /nfs/dbraw/zinc/42/83/84/1033428384.db2.gz VTDFVGKTBLZWAS-WFASDCNBSA-N 2 2 310.844 3.627 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001172859693 1033428399 /nfs/dbraw/zinc/42/83/99/1033428399.db2.gz VTDFVGKTBLZWAS-WFASDCNBSA-N 2 2 310.844 3.627 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037213879 1012866031 /nfs/dbraw/zinc/86/60/31/1012866031.db2.gz WOQAXCIWOOXHJR-UKRRQHHQSA-N 2 2 310.894 3.951 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037213879 1012866054 /nfs/dbraw/zinc/86/60/54/1012866054.db2.gz WOQAXCIWOOXHJR-UKRRQHHQSA-N 2 2 310.894 3.951 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416102 1012904549 /nfs/dbraw/zinc/90/45/49/1012904549.db2.gz KIGWRBYRLVZDTF-XHDPSFHLSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416102 1012904560 /nfs/dbraw/zinc/90/45/60/1012904560.db2.gz KIGWRBYRLVZDTF-XHDPSFHLSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416102 1012904575 /nfs/dbraw/zinc/90/45/75/1012904575.db2.gz KIGWRBYRLVZDTF-XHDPSFHLSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416102 1012904585 /nfs/dbraw/zinc/90/45/85/1012904585.db2.gz KIGWRBYRLVZDTF-XHDPSFHLSA-N 2 2 318.358 3.617 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1(C)C ZINC000623559688 1017109565 /nfs/dbraw/zinc/10/95/65/1017109565.db2.gz JVYDXAIIHLQGSF-GDBMZVCRSA-N 2 2 320.452 3.890 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1(C)C ZINC000623559688 1017109585 /nfs/dbraw/zinc/10/95/85/1017109585.db2.gz JVYDXAIIHLQGSF-GDBMZVCRSA-N 2 2 320.452 3.890 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC1(C)C ZINC000475334872 1017149555 /nfs/dbraw/zinc/14/95/55/1017149555.db2.gz FHKKWVQMMFKARN-WPPJOMGTSA-N 2 2 318.427 3.816 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@H]1CC1(C)C ZINC000475334867 1017150628 /nfs/dbraw/zinc/15/06/28/1017150628.db2.gz FHKKWVQMMFKARN-GALLPEHLSA-N 2 2 318.427 3.816 20 0 DHADLP C[C@H]1CCC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475359106 1017169509 /nfs/dbraw/zinc/16/95/09/1017169509.db2.gz UQNSXCABCBGOHE-LLGZUXRYSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@@H](C[NH2+]CCCCCOc1ccccc1)[NH+]1CCCCC1 ZINC000783597791 1017419938 /nfs/dbraw/zinc/41/99/38/1017419938.db2.gz ASCULAZQSWLNKZ-SFHVURJKSA-N 2 2 304.478 3.700 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C[N@@H+]1C1CC1 ZINC000623834420 1017531563 /nfs/dbraw/zinc/53/15/63/1017531563.db2.gz XQBDVXMXLWLNND-OCCSQVGLSA-N 2 2 317.864 3.579 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3c2cccc3Cl)C[N@H+]1C1CC1 ZINC000623834420 1017531575 /nfs/dbraw/zinc/53/15/75/1017531575.db2.gz XQBDVXMXLWLNND-OCCSQVGLSA-N 2 2 317.864 3.579 20 0 DHADLP Clc1ccc2c(n1)[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC000857906178 1032713105 /nfs/dbraw/zinc/71/31/05/1032713105.db2.gz BUMSNKUBQXGCDH-MRXNPFEDSA-N 2 2 319.880 3.719 20 0 DHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119716685 1017644379 /nfs/dbraw/zinc/64/43/79/1017644379.db2.gz AYLHJAGZQIQFGR-GFCCVEGCSA-N 2 2 308.853 3.626 20 0 DHADLP C[N@H+](CCCSCc1ccccc1)CCCn1cc[nH+]c1 ZINC000181082439 1017720971 /nfs/dbraw/zinc/72/09/71/1017720971.db2.gz RDPIYNBUAPETNC-UHFFFAOYSA-N 2 2 303.475 3.529 20 0 DHADLP C[N@@H+](CCCSCc1ccccc1)CCCn1cc[nH+]c1 ZINC000181082439 1017720984 /nfs/dbraw/zinc/72/09/84/1017720984.db2.gz RDPIYNBUAPETNC-UHFFFAOYSA-N 2 2 303.475 3.529 20 0 DHADLP COc1ccsc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000186129212 1017866246 /nfs/dbraw/zinc/86/62/46/1017866246.db2.gz PALLCXKSFHWEAF-ZDUSSCGKSA-N 2 2 313.426 3.793 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000078912936 1017871929 /nfs/dbraw/zinc/87/19/29/1017871929.db2.gz JZGNRHBYQOTFQB-CYBMUJFWSA-N 2 2 315.804 3.975 20 0 DHADLP CCC[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1ncccc1Cl ZINC000925169729 1017896924 /nfs/dbraw/zinc/89/69/24/1017896924.db2.gz KIGXYRFBVHMWQP-UKRRQHHQSA-N 2 2 318.852 3.940 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172871069 1033443713 /nfs/dbraw/zinc/44/37/13/1033443713.db2.gz NQROFGGEGZSMHV-CYBMUJFWSA-N 2 2 310.844 3.580 20 0 DHADLP c1cn2c([nH+]1)[C@@H](C[NH2+]C1CC(Sc3ccccc3)C1)CCC2 ZINC000925173777 1017984906 /nfs/dbraw/zinc/98/49/06/1017984906.db2.gz ZJYVRYFCNJZHKD-HPUBIQBYSA-N 2 2 313.470 3.673 20 0 DHADLP c1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000162819263 1032736078 /nfs/dbraw/zinc/73/60/78/1032736078.db2.gz NPKOLJQGBDVMQI-UXHICEINSA-N 2 2 321.468 3.976 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000079462610 1018022394 /nfs/dbraw/zinc/02/23/94/1018022394.db2.gz UBFXRHCPMDWBTK-DYVFJYSZSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000079462610 1018022410 /nfs/dbraw/zinc/02/24/10/1018022410.db2.gz UBFXRHCPMDWBTK-DYVFJYSZSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000079462610 1018022422 /nfs/dbraw/zinc/02/24/22/1018022422.db2.gz UBFXRHCPMDWBTK-DYVFJYSZSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000079462610 1018022430 /nfs/dbraw/zinc/02/24/30/1018022430.db2.gz UBFXRHCPMDWBTK-DYVFJYSZSA-N 2 2 310.869 3.511 20 0 DHADLP CCC(CC)[N@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000343050669 1018040682 /nfs/dbraw/zinc/04/06/82/1018040682.db2.gz YEKNFDFOFAKVQZ-UHFFFAOYSA-N 2 2 301.434 3.509 20 0 DHADLP CCC(CC)[N@@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000343050669 1018040697 /nfs/dbraw/zinc/04/06/97/1018040697.db2.gz YEKNFDFOFAKVQZ-UHFFFAOYSA-N 2 2 301.434 3.509 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000658095241 1018065027 /nfs/dbraw/zinc/06/50/27/1018065027.db2.gz FOOFLHFCEFRTSL-PQUAAJSLSA-N 2 2 308.510 3.719 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000658095241 1018065039 /nfs/dbraw/zinc/06/50/39/1018065039.db2.gz FOOFLHFCEFRTSL-PQUAAJSLSA-N 2 2 308.510 3.719 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1nccs1 ZINC000368581941 1018101784 /nfs/dbraw/zinc/10/17/84/1018101784.db2.gz ILWWDRFPTXPNAX-RDJZCZTQSA-N 2 2 315.486 3.706 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1nccs1 ZINC000368581941 1018101789 /nfs/dbraw/zinc/10/17/89/1018101789.db2.gz ILWWDRFPTXPNAX-RDJZCZTQSA-N 2 2 315.486 3.706 20 0 DHADLP CC[N@@H+](Cc1ccc(C)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000154161707 1018116098 /nfs/dbraw/zinc/11/60/98/1018116098.db2.gz YGDNYIRXCDXVDT-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP CC[N@H+](Cc1ccc(C)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000154161707 1018116103 /nfs/dbraw/zinc/11/61/03/1018116103.db2.gz YGDNYIRXCDXVDT-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccns1 ZINC000925180629 1018129424 /nfs/dbraw/zinc/12/94/24/1018129424.db2.gz RBLKPKFYVTVBGB-HIFRSBDPSA-N 2 2 312.442 3.511 20 0 DHADLP CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000447078757 1018326167 /nfs/dbraw/zinc/32/61/67/1018326167.db2.gz RFHXTYOXJIXQBN-IBGZPJMESA-N 2 2 313.445 3.653 20 0 DHADLP CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000447078757 1018326177 /nfs/dbraw/zinc/32/61/77/1018326177.db2.gz RFHXTYOXJIXQBN-IBGZPJMESA-N 2 2 313.445 3.653 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)o1 ZINC000447530787 1018407294 /nfs/dbraw/zinc/40/72/94/1018407294.db2.gz NQMJTRQLSQSWEX-OAHLLOKOSA-N 2 2 309.413 3.992 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(-n2cccn2)cc1 ZINC000447599946 1018434879 /nfs/dbraw/zinc/43/48/79/1018434879.db2.gz KYWJINCNVOFPDO-UZLBHIALSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(-n2cccn2)cc1 ZINC000447599946 1018434882 /nfs/dbraw/zinc/43/48/82/1018434882.db2.gz KYWJINCNVOFPDO-UZLBHIALSA-N 2 2 324.472 3.540 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261643343 1018619295 /nfs/dbraw/zinc/61/92/95/1018619295.db2.gz XEEHBWIUYSHTHL-HZPDHXFCSA-N 2 2 323.278 3.586 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261643343 1018619302 /nfs/dbraw/zinc/61/93/02/1018619302.db2.gz XEEHBWIUYSHTHL-HZPDHXFCSA-N 2 2 323.278 3.586 20 0 DHADLP CC(C)[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000583964614 1018786429 /nfs/dbraw/zinc/78/64/29/1018786429.db2.gz UIUKKIDNKVVMEE-WMLDXEAASA-N 2 2 303.837 3.907 20 0 DHADLP CS[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000921518815 1018814878 /nfs/dbraw/zinc/81/48/78/1018814878.db2.gz YFVDJVXVTDIKHQ-MSOLQXFVSA-N 2 2 315.486 3.695 20 0 DHADLP CS[C@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000921518821 1018816078 /nfs/dbraw/zinc/81/60/78/1018816078.db2.gz YFVDJVXVTDIKHQ-ROUUACIJSA-N 2 2 315.486 3.695 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000921525858 1018825752 /nfs/dbraw/zinc/82/57/52/1018825752.db2.gz ADJKAJBXKLQUHQ-KRWDZBQOSA-N 2 2 321.424 3.640 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCC(C(F)(F)F)CC1 ZINC000354653561 1018842754 /nfs/dbraw/zinc/84/27/54/1018842754.db2.gz SDENBPQMPJCPRO-GFJIZPEISA-N 2 2 315.383 3.545 20 0 DHADLP c1ccc([C@H](C[NH2+][C@H]2CCCSCC2)[NH+]2CCCC2)cc1 ZINC000657817247 1018845978 /nfs/dbraw/zinc/84/59/78/1018845978.db2.gz NFQBIWVBGNDRTJ-ROUUACIJSA-N 2 2 304.503 3.699 20 0 DHADLP CC[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000316053125 1018864837 /nfs/dbraw/zinc/86/48/37/1018864837.db2.gz OKBMYCOUGBRRSA-DLBZAZTESA-N 2 2 301.478 3.999 20 0 DHADLP C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000921798921 1018867660 /nfs/dbraw/zinc/86/76/60/1018867660.db2.gz KJTCVGKLQSKLEL-HNNXBMFYSA-N 2 2 321.428 3.645 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+]C1CC(CF)(CF)C1)c1ccccc1 ZINC000657819869 1018876366 /nfs/dbraw/zinc/87/63/66/1018876366.db2.gz YLGAVENFCCTNNN-QGZVFWFLSA-N 2 2 310.432 3.747 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000151543236 1018899587 /nfs/dbraw/zinc/89/95/87/1018899587.db2.gz OCEVEMLAOGGFRG-HFAKWTLXSA-N 2 2 301.261 3.812 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000151543236 1018899606 /nfs/dbraw/zinc/89/96/06/1018899606.db2.gz OCEVEMLAOGGFRG-HFAKWTLXSA-N 2 2 301.261 3.812 20 0 DHADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(F)c(Cl)cc2F)CC1 ZINC000278608575 1018916274 /nfs/dbraw/zinc/91/62/74/1018916274.db2.gz BLRQCEGIYFPTIX-UHFFFAOYSA-N 2 2 302.796 3.581 20 0 DHADLP Clc1cccc2c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000672166921 1018980969 /nfs/dbraw/zinc/98/09/69/1018980969.db2.gz OPSSZRLIJZTSEL-CHWSQXEVSA-N 2 2 301.821 3.927 20 0 DHADLP Clc1cccc2c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc[nH+]c12 ZINC000672166921 1018980979 /nfs/dbraw/zinc/98/09/79/1018980979.db2.gz OPSSZRLIJZTSEL-CHWSQXEVSA-N 2 2 301.821 3.927 20 0 DHADLP C[NH+]1C(C)(C)CC([NH2+]C(C)(C)C(=O)c2ccccc2)CC1(C)C ZINC001171613704 1032799712 /nfs/dbraw/zinc/79/97/12/1032799712.db2.gz NSFDIKYMCXXHBF-UHFFFAOYSA-N 2 2 316.489 3.889 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000387016591 1019038319 /nfs/dbraw/zinc/03/83/19/1019038319.db2.gz HSJUFWQGJATTBP-ZDUSSCGKSA-N 2 2 312.404 3.813 20 0 DHADLP c1cn(CCCC[NH2+]Cc2cccc(Oc3ccccn3)c2)c[nH+]1 ZINC000921577109 1019096888 /nfs/dbraw/zinc/09/68/88/1019096888.db2.gz DSVRMLFDLZLCQA-UHFFFAOYSA-N 2 2 322.412 3.640 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)CCC2 ZINC000338770645 1019131761 /nfs/dbraw/zinc/13/17/61/1019131761.db2.gz CRMYCAGRYFNSCJ-BVBHFADKSA-N 2 2 309.457 3.851 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](CNc1cc(C)c3ccc(C)cc3[nH+]1)CCC2 ZINC000460966498 1019194121 /nfs/dbraw/zinc/19/41/21/1019194121.db2.gz IJPAGTISBHKMCK-INIZCTEOSA-N 2 2 320.440 4.346 20 0 DHADLP C[C@H](C[NH2+]Cc1cnc(C2CCCCC2)s1)Cn1cc[nH+]c1 ZINC000084018300 1019259941 /nfs/dbraw/zinc/25/99/41/1019259941.db2.gz JKMOAMXTKOIAQS-CQSZACIVSA-N 2 2 318.490 3.813 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000921981297 1019262893 /nfs/dbraw/zinc/26/28/93/1019262893.db2.gz RXPFOVVFKLHXKF-GJZGRUSLSA-N 2 2 321.896 3.786 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000921981297 1019262902 /nfs/dbraw/zinc/26/29/02/1019262902.db2.gz RXPFOVVFKLHXKF-GJZGRUSLSA-N 2 2 321.896 3.786 20 0 DHADLP c1ccc([C@@H]2CCC[C@H](C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)O2)cc1 ZINC000923531964 1019266144 /nfs/dbraw/zinc/26/61/44/1019266144.db2.gz YCSSNPPODFHVMR-HSALFYBXSA-N 2 2 314.473 3.515 20 0 DHADLP c1ccc([C@@H]2CCC[C@H](C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)O2)cc1 ZINC000923531964 1019266156 /nfs/dbraw/zinc/26/61/56/1019266156.db2.gz YCSSNPPODFHVMR-HSALFYBXSA-N 2 2 314.473 3.515 20 0 DHADLP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998218 1032819437 /nfs/dbraw/zinc/81/94/37/1032819437.db2.gz IOOVATVTNYQXLG-CYBMUJFWSA-N 2 2 316.342 3.609 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312611166 1019462572 /nfs/dbraw/zinc/46/25/72/1019462572.db2.gz IGFUTTJRCJDCAW-JTQLQIEISA-N 2 2 307.290 3.875 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312611166 1019462578 /nfs/dbraw/zinc/46/25/78/1019462578.db2.gz IGFUTTJRCJDCAW-JTQLQIEISA-N 2 2 307.290 3.875 20 0 DHADLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000092072244 1019500835 /nfs/dbraw/zinc/50/08/35/1019500835.db2.gz AOSQDPUBWLQSMH-OAHLLOKOSA-N 2 2 311.429 3.503 20 0 DHADLP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000092072244 1019500848 /nfs/dbraw/zinc/50/08/48/1019500848.db2.gz AOSQDPUBWLQSMH-OAHLLOKOSA-N 2 2 311.429 3.503 20 0 DHADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000092073283 1019503702 /nfs/dbraw/zinc/50/37/02/1019503702.db2.gz CPYBORFTHDBZHR-LBPRGKRZSA-N 2 2 304.463 3.543 20 0 DHADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000092073283 1019503714 /nfs/dbraw/zinc/50/37/14/1019503714.db2.gz CPYBORFTHDBZHR-LBPRGKRZSA-N 2 2 304.463 3.543 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cnc(C4CCC4)s3)C2)[nH]1 ZINC000092073721 1019505128 /nfs/dbraw/zinc/50/51/28/1019505128.db2.gz FDJYZRIDNTUIOK-ZDUSSCGKSA-N 2 2 302.447 3.513 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cnc(C4CCC4)s3)C2)[nH]1 ZINC000092073721 1019505137 /nfs/dbraw/zinc/50/51/37/1019505137.db2.gz FDJYZRIDNTUIOK-ZDUSSCGKSA-N 2 2 302.447 3.513 20 0 DHADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000517599901 1019630112 /nfs/dbraw/zinc/63/01/12/1019630112.db2.gz PPOKYLRNXHBFKB-SNRMKQJTSA-N 2 2 301.478 3.631 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ncc[nH]1 ZINC000286089488 1019878771 /nfs/dbraw/zinc/87/87/71/1019878771.db2.gz MQSFDNWSVWRUAZ-INIZCTEOSA-N 2 2 312.461 3.637 20 0 DHADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000685629505 1019987527 /nfs/dbraw/zinc/98/75/27/1019987527.db2.gz ULOMUNCJKAEALY-LDCOFTPGSA-N 2 2 301.821 3.614 20 0 DHADLP CCc1cc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359712698 1020024208 /nfs/dbraw/zinc/02/42/08/1020024208.db2.gz CKLLAYZHIWGGFD-KBXCAEBGSA-N 2 2 310.445 3.595 20 0 DHADLP CCc1cc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nc(C)[nH+]1 ZINC000359712698 1020024222 /nfs/dbraw/zinc/02/42/22/1020024222.db2.gz CKLLAYZHIWGGFD-KBXCAEBGSA-N 2 2 310.445 3.595 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000360046621 1020049667 /nfs/dbraw/zinc/04/96/67/1020049667.db2.gz QXPPYLMIBHTVCH-BXUZGUMPSA-N 2 2 307.850 3.752 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCCSCC1)C1CC1 ZINC000657981936 1020062111 /nfs/dbraw/zinc/06/21/11/1020062111.db2.gz WTNXSZCHYHKKOU-MOPGFXCFSA-N 2 2 318.530 3.772 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCCSCC1)C1CC1 ZINC000657981936 1020062124 /nfs/dbraw/zinc/06/21/24/1020062124.db2.gz WTNXSZCHYHKKOU-MOPGFXCFSA-N 2 2 318.530 3.772 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000087759221 1020201686 /nfs/dbraw/zinc/20/16/86/1020201686.db2.gz IRCCNWYGKFZGAT-GFCCVEGCSA-N 2 2 301.261 3.813 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000087759221 1020201682 /nfs/dbraw/zinc/20/16/82/1020201682.db2.gz IRCCNWYGKFZGAT-GFCCVEGCSA-N 2 2 301.261 3.813 20 0 DHADLP C(=C/c1ccccc1)\C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390633189 1020214135 /nfs/dbraw/zinc/21/41/35/1020214135.db2.gz AVLOTLLAPVURKJ-RZBOESAMSA-N 2 2 306.453 3.954 20 0 DHADLP C(=C/c1ccccc1)\C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390633189 1020214140 /nfs/dbraw/zinc/21/41/40/1020214140.db2.gz AVLOTLLAPVURKJ-RZBOESAMSA-N 2 2 306.453 3.954 20 0 DHADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CCCC4(CCC4)O3)c2)c[nH+]1 ZINC000922807229 1020286284 /nfs/dbraw/zinc/28/62/84/1020286284.db2.gz RNJMWGYDBFBADM-HNNXBMFYSA-N 2 2 317.458 3.515 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2sccc21 ZINC000658294661 1020286324 /nfs/dbraw/zinc/28/63/24/1020286324.db2.gz JGQKUJRMMMRWER-UKPHBRMFSA-N 2 2 320.502 3.529 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000766006172 1020337113 /nfs/dbraw/zinc/33/71/13/1020337113.db2.gz NMZVAEWORMTFOT-SOLBZPMBSA-N 2 2 303.494 3.564 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000766006172 1020337118 /nfs/dbraw/zinc/33/71/18/1020337118.db2.gz NMZVAEWORMTFOT-SOLBZPMBSA-N 2 2 303.494 3.564 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000766006171 1020337530 /nfs/dbraw/zinc/33/75/30/1020337530.db2.gz NMZVAEWORMTFOT-RYRKJORJSA-N 2 2 303.494 3.564 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000766006171 1020337537 /nfs/dbraw/zinc/33/75/37/1020337537.db2.gz NMZVAEWORMTFOT-RYRKJORJSA-N 2 2 303.494 3.564 20 0 DHADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000623656461 1020340368 /nfs/dbraw/zinc/34/03/68/1020340368.db2.gz UURQBVHABKZYDT-CYBMUJFWSA-N 2 2 321.515 3.693 20 0 DHADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2csc(-c3ccsc3)n2)C1 ZINC000623656461 1020340374 /nfs/dbraw/zinc/34/03/74/1020340374.db2.gz UURQBVHABKZYDT-CYBMUJFWSA-N 2 2 321.515 3.693 20 0 DHADLP CCC[C@H](C)CCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000858432380 1032895419 /nfs/dbraw/zinc/89/54/19/1032895419.db2.gz QWXPCRLMKYOZSQ-LNLFQRSKSA-N 2 2 310.526 3.824 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)sn1 ZINC000404428650 1020419173 /nfs/dbraw/zinc/41/91/73/1020419173.db2.gz KBQHERCNICCOLH-WBVHZDCISA-N 2 2 315.486 3.594 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)sn1 ZINC000404428650 1020419176 /nfs/dbraw/zinc/41/91/76/1020419176.db2.gz KBQHERCNICCOLH-WBVHZDCISA-N 2 2 315.486 3.594 20 0 DHADLP CC(C)[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347644757 1020433354 /nfs/dbraw/zinc/43/33/54/1020433354.db2.gz CBTFHTPZUDCUDK-UHFFFAOYSA-N 2 2 303.475 3.615 20 0 DHADLP CC(C)[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347644757 1020433358 /nfs/dbraw/zinc/43/33/58/1020433358.db2.gz CBTFHTPZUDCUDK-UHFFFAOYSA-N 2 2 303.475 3.615 20 0 DHADLP C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347953912 1020464142 /nfs/dbraw/zinc/46/41/42/1020464142.db2.gz LOKRVVIXBJIOKT-UKRRQHHQSA-N 2 2 319.518 3.763 20 0 DHADLP C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347953912 1020464144 /nfs/dbraw/zinc/46/41/44/1020464144.db2.gz LOKRVVIXBJIOKT-UKRRQHHQSA-N 2 2 319.518 3.763 20 0 DHADLP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347955219 1020465934 /nfs/dbraw/zinc/46/59/34/1020465934.db2.gz LOKRVVIXBJIOKT-ZFWWWQNUSA-N 2 2 319.518 3.763 20 0 DHADLP C[C@H]([NH2+]Cc1nc(C2CC2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347955219 1020465938 /nfs/dbraw/zinc/46/59/38/1020465938.db2.gz LOKRVVIXBJIOKT-ZFWWWQNUSA-N 2 2 319.518 3.763 20 0 DHADLP Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347848795 1020578278 /nfs/dbraw/zinc/57/82/78/1020578278.db2.gz ISLASBKLNYOQIF-OAHLLOKOSA-N 2 2 317.502 3.576 20 0 DHADLP Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347848795 1020578283 /nfs/dbraw/zinc/57/82/83/1020578283.db2.gz ISLASBKLNYOQIF-OAHLLOKOSA-N 2 2 317.502 3.576 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001171958942 1032925667 /nfs/dbraw/zinc/92/56/67/1032925667.db2.gz LTZDOPOHLLMQSY-CZUORRHYSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001171958942 1032925697 /nfs/dbraw/zinc/92/56/97/1032925697.db2.gz LTZDOPOHLLMQSY-CZUORRHYSA-N 2 2 314.395 3.710 20 0 DHADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962567 1032933398 /nfs/dbraw/zinc/93/33/98/1032933398.db2.gz FBOUUTLITTVOEH-LJQANCHMSA-N 2 2 323.484 3.923 20 0 DHADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962567 1032933402 /nfs/dbraw/zinc/93/34/02/1032933402.db2.gz FBOUUTLITTVOEH-LJQANCHMSA-N 2 2 323.484 3.923 20 0 DHADLP CC(C)C1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC000716276305 1020843693 /nfs/dbraw/zinc/84/36/93/1020843693.db2.gz CAYMLSXWJFVVSH-UHFFFAOYSA-N 2 2 300.490 3.923 20 0 DHADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000766271394 1021030949 /nfs/dbraw/zinc/03/09/49/1021030949.db2.gz FQIJOOXJDOXNLX-MLGOLLRUSA-N 2 2 323.278 3.510 20 0 DHADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000766271394 1021030954 /nfs/dbraw/zinc/03/09/54/1021030954.db2.gz FQIJOOXJDOXNLX-MLGOLLRUSA-N 2 2 323.278 3.510 20 0 DHADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3F)CC2)cc1 ZINC000414282255 1021059743 /nfs/dbraw/zinc/05/97/43/1021059743.db2.gz HEDSCWXXGNYIBW-RTBURBONSA-N 2 2 322.443 3.703 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414330982 1021101681 /nfs/dbraw/zinc/10/16/81/1021101681.db2.gz JSJYNDUPESFHMP-INIZCTEOSA-N 2 2 320.440 3.896 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccsc3)CC2)cc1 ZINC000742378274 1021115798 /nfs/dbraw/zinc/11/57/98/1021115798.db2.gz OSLFEIWDEFODEH-UHFFFAOYSA-N 2 2 315.486 3.573 20 0 DHADLP Fc1ccc(CC2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC001202407155 1021239840 /nfs/dbraw/zinc/23/98/40/1021239840.db2.gz FZAOSMMNCNDFQG-UHFFFAOYSA-N 2 2 321.399 3.876 20 0 DHADLP C[N@H+](Cc1ccccn1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171978581 1032967638 /nfs/dbraw/zinc/96/76/38/1032967638.db2.gz ZVYNXYGMEKQRNH-FQEVSTJZSA-N 2 2 323.484 3.957 20 0 DHADLP C[N@@H+](Cc1ccccn1)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171978581 1032967649 /nfs/dbraw/zinc/96/76/49/1032967649.db2.gz ZVYNXYGMEKQRNH-FQEVSTJZSA-N 2 2 323.484 3.957 20 0 DHADLP C[NH+](Cc1ccccn1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978581 1032967656 /nfs/dbraw/zinc/96/76/56/1032967656.db2.gz ZVYNXYGMEKQRNH-FQEVSTJZSA-N 2 2 323.484 3.957 20 0 DHADLP C[NH+](Cc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978581 1032967671 /nfs/dbraw/zinc/96/76/71/1032967671.db2.gz ZVYNXYGMEKQRNH-FQEVSTJZSA-N 2 2 323.484 3.957 20 0 DHADLP C[C@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)O1 ZINC001171986005 1032972812 /nfs/dbraw/zinc/97/28/12/1032972812.db2.gz FDWFCWZBFOIQNH-JENIJYKNSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@H](C)O1 ZINC001171986005 1032972833 /nfs/dbraw/zinc/97/28/33/1032972833.db2.gz FDWFCWZBFOIQNH-JENIJYKNSA-N 2 2 316.489 3.539 20 0 DHADLP Cc1ccc2cc(C[NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)[nH]c2c1 ZINC000850060062 1021406866 /nfs/dbraw/zinc/40/68/66/1021406866.db2.gz NJMWRDBFAYMUTC-GOSISDBHSA-N 2 2 310.445 3.877 20 0 DHADLP Cc1ccsc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337413376 1032978214 /nfs/dbraw/zinc/97/82/14/1032978214.db2.gz YEVGXKVDUPUGEI-HNNXBMFYSA-N 2 2 315.486 3.969 20 0 DHADLP Cc1ccsc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337413376 1032978229 /nfs/dbraw/zinc/97/82/29/1032978229.db2.gz YEVGXKVDUPUGEI-HNNXBMFYSA-N 2 2 315.486 3.969 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000556205092 1021601456 /nfs/dbraw/zinc/60/14/56/1021601456.db2.gz KYZMBMHQKDZARE-SOAMZJECSA-N 2 2 315.505 3.850 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000556205092 1021601461 /nfs/dbraw/zinc/60/14/61/1021601461.db2.gz KYZMBMHQKDZARE-SOAMZJECSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OC2CCCC2)CC[N@@H+]1C ZINC000093643808 1021639831 /nfs/dbraw/zinc/63/98/31/1021639831.db2.gz MFBPBABIDHYULU-FUHWJXTLSA-N 2 2 316.489 3.923 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OC2CCCC2)CC[N@H+]1C ZINC000093643808 1021639840 /nfs/dbraw/zinc/63/98/40/1021639840.db2.gz MFBPBABIDHYULU-FUHWJXTLSA-N 2 2 316.489 3.923 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OC2CCCC2)CC[NH+]1C ZINC000093643808 1021639851 /nfs/dbraw/zinc/63/98/51/1021639851.db2.gz MFBPBABIDHYULU-FUHWJXTLSA-N 2 2 316.489 3.923 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)CC[NH+]1C ZINC000093643808 1021639856 /nfs/dbraw/zinc/63/98/56/1021639856.db2.gz MFBPBABIDHYULU-FUHWJXTLSA-N 2 2 316.489 3.923 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000109787849 1021745601 /nfs/dbraw/zinc/74/56/01/1021745601.db2.gz WHLDGPUFILFVFM-UHFFFAOYSA-N 2 2 316.276 3.695 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000109787849 1021745616 /nfs/dbraw/zinc/74/56/16/1021745616.db2.gz WHLDGPUFILFVFM-UHFFFAOYSA-N 2 2 316.276 3.695 20 0 DHADLP C[N@H+](Cc1ccc(SC(F)(F)F)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236205621 1021808644 /nfs/dbraw/zinc/80/86/44/1021808644.db2.gz FYHRXAZWEMXPMJ-AWEZNQCLSA-N 2 2 318.408 3.872 20 0 DHADLP C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236205621 1021808664 /nfs/dbraw/zinc/80/86/64/1021808664.db2.gz FYHRXAZWEMXPMJ-AWEZNQCLSA-N 2 2 318.408 3.872 20 0 DHADLP CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccncc1 ZINC000651238857 1022041302 /nfs/dbraw/zinc/04/13/02/1022041302.db2.gz MWZICTRZORRADM-RBUKOAKNSA-N 2 2 320.440 3.840 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000387260033 1022056317 /nfs/dbraw/zinc/05/63/17/1022056317.db2.gz UMACWSZWJBLDQD-IPMKNSEASA-N 2 2 304.478 3.617 20 0 DHADLP CC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C(C)C ZINC000153959657 1022265598 /nfs/dbraw/zinc/26/55/98/1022265598.db2.gz RDMRDRHYCSXQLY-MJGOQNOKSA-N 2 2 318.505 3.911 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC001169113949 1022270802 /nfs/dbraw/zinc/27/08/02/1022270802.db2.gz VLAMXGDGRZUAAU-HUUJSLGLSA-N 2 2 322.452 3.696 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC001169113949 1022270807 /nfs/dbraw/zinc/27/08/07/1022270807.db2.gz VLAMXGDGRZUAAU-HUUJSLGLSA-N 2 2 322.452 3.696 20 0 DHADLP Cc1cc2cc(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)[nH+]cc2[nH]1 ZINC001169141755 1022272081 /nfs/dbraw/zinc/27/20/81/1022272081.db2.gz KNUKYPHDNOWBAS-RDTXWAMCSA-N 2 2 300.450 3.827 20 0 DHADLP Cc1nc(C)c([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000111361285 1022283815 /nfs/dbraw/zinc/28/38/15/1022283815.db2.gz WYVHZAGSRHFDRH-GXTWGEPZSA-N 2 2 306.479 3.722 20 0 DHADLP Fc1cccc(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC001169215855 1022301220 /nfs/dbraw/zinc/30/12/20/1022301220.db2.gz DFPYETXOHGNMRS-UHFFFAOYSA-N 2 2 315.436 3.757 20 0 DHADLP CCC[C@H](C)C[NH2+]C1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000538399784 1033045099 /nfs/dbraw/zinc/04/50/99/1033045099.db2.gz KCAYAKBBHILMAG-HNNXBMFYSA-N 2 2 322.497 3.707 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cncs1 ZINC000269066425 1022394270 /nfs/dbraw/zinc/39/42/70/1022394270.db2.gz LOJNFRAAYSSQSR-YQQAZPJKSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cncs1 ZINC000269066425 1022394288 /nfs/dbraw/zinc/39/42/88/1022394288.db2.gz LOJNFRAAYSSQSR-YQQAZPJKSA-N 2 2 315.486 3.704 20 0 DHADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000854233260 1022435886 /nfs/dbraw/zinc/43/58/86/1022435886.db2.gz YKNVAEQYYTWSMQ-IINYFYTJSA-N 2 2 300.418 3.576 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1[C@@H]3CCCC[C@@H]3C1(C)C)CCC2 ZINC000363958385 1022516965 /nfs/dbraw/zinc/51/69/65/1022516965.db2.gz DDJJUWPCCTXRKO-WCXIOVBPSA-N 2 2 301.478 3.873 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1Cl ZINC001172248073 1033066544 /nfs/dbraw/zinc/06/65/44/1033066544.db2.gz VZXOMGMFEWNXNO-SFHVURJKSA-N 2 2 324.896 3.882 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000158243065 1022620285 /nfs/dbraw/zinc/62/02/85/1022620285.db2.gz WJZGIBSPYNUZQZ-GJZGRUSLSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000158243065 1022620288 /nfs/dbraw/zinc/62/02/88/1022620288.db2.gz WJZGIBSPYNUZQZ-GJZGRUSLSA-N 2 2 315.486 3.803 20 0 DHADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660194147 1022686034 /nfs/dbraw/zinc/68/60/34/1022686034.db2.gz FIHSUGIZIDKWFT-RDJZCZTQSA-N 2 2 324.534 3.539 20 0 DHADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660194147 1022686040 /nfs/dbraw/zinc/68/60/40/1022686040.db2.gz FIHSUGIZIDKWFT-RDJZCZTQSA-N 2 2 324.534 3.539 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@@H]1c1cccs1 ZINC000367439399 1022698449 /nfs/dbraw/zinc/69/84/49/1022698449.db2.gz UINYHQCGMKKEGC-BMFZPTHFSA-N 2 2 315.486 3.605 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000660202200 1022711869 /nfs/dbraw/zinc/71/18/69/1022711869.db2.gz ADLPEPHTACFSQH-CYBMUJFWSA-N 2 2 322.412 3.897 20 0 DHADLP CC(C)C[N@H+](CCc1c[nH+]cn1C)Cc1cccc(Cl)c1 ZINC000621386894 1022732568 /nfs/dbraw/zinc/73/25/68/1022732568.db2.gz MOIRWVHTKFXXOB-UHFFFAOYSA-N 2 2 305.853 3.774 20 0 DHADLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)Cc1cccc(Cl)c1 ZINC000621386894 1022732575 /nfs/dbraw/zinc/73/25/75/1022732575.db2.gz MOIRWVHTKFXXOB-UHFFFAOYSA-N 2 2 305.853 3.774 20 0 DHADLP CO[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000660238503 1022795052 /nfs/dbraw/zinc/79/50/52/1022795052.db2.gz LOZMAKMIJSGHIN-KXBFYZLASA-N 2 2 313.445 3.728 20 0 DHADLP CCn1c[nH+]cc1CNc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000417821771 1022862605 /nfs/dbraw/zinc/86/26/05/1022862605.db2.gz WCVVNRCBUVKVRA-INIZCTEOSA-N 2 2 312.461 3.747 20 0 DHADLP CCn1c[nH+]cc1CNc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000417821771 1022862619 /nfs/dbraw/zinc/86/26/19/1022862619.db2.gz WCVVNRCBUVKVRA-INIZCTEOSA-N 2 2 312.461 3.747 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(SC(F)F)cc1)Cn1cc[nH+]c1 ZINC000180920958 1022883874 /nfs/dbraw/zinc/88/38/74/1022883874.db2.gz HYHNOPKXNCXBIW-GFCCVEGCSA-N 2 2 311.401 3.624 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000159285463 1022894410 /nfs/dbraw/zinc/89/44/10/1022894410.db2.gz GJELTEJKRTXWHO-ZDUSSCGKSA-N 2 2 310.869 3.874 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000768518131 1022988869 /nfs/dbraw/zinc/98/88/69/1022988869.db2.gz RPSSHWPRYWTQGK-PVAVHDDUSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000768518131 1022988871 /nfs/dbraw/zinc/98/88/71/1022988871.db2.gz RPSSHWPRYWTQGK-PVAVHDDUSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000768516531 1022989312 /nfs/dbraw/zinc/98/93/12/1022989312.db2.gz WZPWMJLFUOUBGR-ZIFCJYIRSA-N 2 2 312.457 3.711 20 0 DHADLP C[C@@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000768516531 1022989320 /nfs/dbraw/zinc/98/93/20/1022989320.db2.gz WZPWMJLFUOUBGR-ZIFCJYIRSA-N 2 2 312.457 3.711 20 0 DHADLP FC(F)C1CC([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000768687139 1023013066 /nfs/dbraw/zinc/01/30/66/1023013066.db2.gz LKABNGSGUJOOMR-JCYILVPMSA-N 2 2 308.416 3.674 20 0 DHADLP FC(F)C1CC([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000768687139 1023013078 /nfs/dbraw/zinc/01/30/78/1023013078.db2.gz LKABNGSGUJOOMR-JCYILVPMSA-N 2 2 308.416 3.674 20 0 DHADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000876576198 1033096088 /nfs/dbraw/zinc/09/60/88/1033096088.db2.gz FEZKJQZHACELDI-UHFFFAOYSA-N 2 2 315.914 3.740 20 0 DHADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000876576198 1033096103 /nfs/dbraw/zinc/09/61/03/1033096103.db2.gz FEZKJQZHACELDI-UHFFFAOYSA-N 2 2 315.914 3.740 20 0 DHADLP Cl/C=C(\Cl)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000763493660 1023080966 /nfs/dbraw/zinc/08/09/66/1023080966.db2.gz MJFUPYKYYWHFCS-PTNGSMBKSA-N 2 2 305.293 3.893 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC000771374028 1023428515 /nfs/dbraw/zinc/42/85/15/1023428515.db2.gz FTDOSQJIPXJPSA-WBVHZDCISA-N 2 2 300.450 3.660 20 0 DHADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000651680805 1023455232 /nfs/dbraw/zinc/45/52/32/1023455232.db2.gz RKTJXVRBMPUZAE-KCQAQPDRSA-N 2 2 308.828 3.683 20 0 DHADLP Fc1ccc2c(c1Cl)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000651680805 1023455235 /nfs/dbraw/zinc/45/52/35/1023455235.db2.gz RKTJXVRBMPUZAE-KCQAQPDRSA-N 2 2 308.828 3.683 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC001172363975 1033142630 /nfs/dbraw/zinc/14/26/30/1033142630.db2.gz SVUAVBKACDZRFA-RYRKJORJSA-N 2 2 301.478 3.712 20 0 DHADLP C[C@@H]([NH2+]CCSC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178419198 1023597628 /nfs/dbraw/zinc/59/76/28/1023597628.db2.gz IDYGIZYHWSTUKF-LLVKDONJSA-N 2 2 315.364 3.776 20 0 DHADLP CCOCC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001172416709 1033160744 /nfs/dbraw/zinc/16/07/44/1033160744.db2.gz PBUXYEZXMSVMEY-OAHLLOKOSA-N 2 2 322.468 3.503 20 0 DHADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001170079430 1023831033 /nfs/dbraw/zinc/83/10/33/1023831033.db2.gz DFLGAVOMVOSNGT-IPMKNSEASA-N 2 2 315.505 3.660 20 0 DHADLP C[C@@H]1CC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C[C@@H]1C ZINC001172383284 1033170225 /nfs/dbraw/zinc/17/02/25/1033170225.db2.gz OPLBKCKWDFDUIL-IJEWVQPXSA-N 2 2 305.441 3.604 20 0 DHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000788593669 1023910058 /nfs/dbraw/zinc/91/00/58/1023910058.db2.gz HPOSAOCVTGONMM-RHSMWYFYSA-N 2 2 322.880 3.621 20 0 DHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2COCc3cccc(Cl)c32)C1 ZINC000788593669 1023910062 /nfs/dbraw/zinc/91/00/62/1023910062.db2.gz HPOSAOCVTGONMM-RHSMWYFYSA-N 2 2 322.880 3.621 20 0 DHADLP Clc1ccc2c(n1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000788638963 1023917940 /nfs/dbraw/zinc/91/79/40/1023917940.db2.gz KSTFLRPILWGXQI-INIZCTEOSA-N 2 2 324.815 3.698 20 0 DHADLP C[C@@H](CC[NH2+][C@H]1CCc2ccc(Cl)nc21)[NH+]1CCCCC1 ZINC000788737076 1023933785 /nfs/dbraw/zinc/93/37/85/1023933785.db2.gz HZXPWDPRXYHKBV-ZFWWWQNUSA-N 2 2 307.869 3.576 20 0 DHADLP CC(C)CCC[C@@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001170091361 1023946223 /nfs/dbraw/zinc/94/62/23/1023946223.db2.gz SNSVYWKAKQCHBL-OAHLLOKOSA-N 2 2 307.457 3.994 20 0 DHADLP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001172399860 1033184608 /nfs/dbraw/zinc/18/46/08/1033184608.db2.gz HTSAACZKDPQECR-AQNXPRMDSA-N 2 2 318.505 3.690 20 0 DHADLP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001172399860 1033184615 /nfs/dbraw/zinc/18/46/15/1033184615.db2.gz HTSAACZKDPQECR-AQNXPRMDSA-N 2 2 318.505 3.690 20 0 DHADLP CC(C)COCC[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172472187 1033188943 /nfs/dbraw/zinc/18/89/43/1033188943.db2.gz NJBHYMQFAYVBHD-HNNXBMFYSA-N 2 2 301.434 3.633 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1SC ZINC000268766847 1024155100 /nfs/dbraw/zinc/15/51/00/1024155100.db2.gz JPJSCGCYCQZADT-CWRNSKLLSA-N 2 2 320.502 3.695 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1SC ZINC000268766847 1024155104 /nfs/dbraw/zinc/15/51/04/1024155104.db2.gz JPJSCGCYCQZADT-CWRNSKLLSA-N 2 2 320.502 3.695 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000268797917 1024163520 /nfs/dbraw/zinc/16/35/20/1024163520.db2.gz JDTHLMQVWUVVTB-MDZLAQPJSA-N 2 2 323.893 3.768 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000268797917 1024163525 /nfs/dbraw/zinc/16/35/25/1024163525.db2.gz JDTHLMQVWUVVTB-MDZLAQPJSA-N 2 2 323.893 3.768 20 0 DHADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883259597 1024332679 /nfs/dbraw/zinc/33/26/79/1024332679.db2.gz ROVXDFAHVJLYDR-IAGOWNOFSA-N 2 2 322.880 3.844 20 0 DHADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883259597 1024332691 /nfs/dbraw/zinc/33/26/91/1024332691.db2.gz ROVXDFAHVJLYDR-IAGOWNOFSA-N 2 2 322.880 3.844 20 0 DHADLP COc1ccc(C2CC2)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000883264830 1024337973 /nfs/dbraw/zinc/33/79/73/1024337973.db2.gz LQCLPIGUDCEEFD-UHFFFAOYSA-N 2 2 316.489 3.925 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453166095 1024379002 /nfs/dbraw/zinc/37/90/02/1024379002.db2.gz HGPVTAMPTKLAJI-QRWLVFNGSA-N 2 2 313.489 3.775 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000453234770 1024418255 /nfs/dbraw/zinc/41/82/55/1024418255.db2.gz YRXDBIGQMMXUPY-AEFFLSMTSA-N 2 2 303.494 3.503 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000453234770 1024418266 /nfs/dbraw/zinc/41/82/66/1024418266.db2.gz YRXDBIGQMMXUPY-AEFFLSMTSA-N 2 2 303.494 3.503 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000883386657 1024420548 /nfs/dbraw/zinc/42/05/48/1024420548.db2.gz KQEXFCMACZCNOO-XLIONFOSSA-N 2 2 320.440 3.987 20 0 DHADLP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)O2)cc1 ZINC000883429233 1024433712 /nfs/dbraw/zinc/43/37/12/1024433712.db2.gz POAOURHKCABDON-WCIQWLHISA-N 2 2 314.473 3.513 20 0 DHADLP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)O2)cc1 ZINC000883429233 1024433716 /nfs/dbraw/zinc/43/37/16/1024433716.db2.gz POAOURHKCABDON-WCIQWLHISA-N 2 2 314.473 3.513 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC000453307491 1024455015 /nfs/dbraw/zinc/45/50/15/1024455015.db2.gz LNKDFAAAUYRGHE-FXAWDEMLSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC000453307491 1024455018 /nfs/dbraw/zinc/45/50/18/1024455018.db2.gz LNKDFAAAUYRGHE-FXAWDEMLSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H](CC[N@H+](C)CCC(F)(F)F)[NH+](C)CCC(F)(F)F ZINC000431601176 1024551744 /nfs/dbraw/zinc/55/17/44/1024551744.db2.gz RXIZEGBQHNUPAI-JTQLQIEISA-N 2 2 308.310 3.533 20 0 DHADLP C[C@@H](CC[N@@H+](C)CCC(F)(F)F)[NH+](C)CCC(F)(F)F ZINC000431601176 1024551750 /nfs/dbraw/zinc/55/17/50/1024551750.db2.gz RXIZEGBQHNUPAI-JTQLQIEISA-N 2 2 308.310 3.533 20 0 DHADLP C[C@@H](CC[NH+](C)CCC(F)(F)F)[N@H+](C)CCC(F)(F)F ZINC000431601176 1024551756 /nfs/dbraw/zinc/55/17/56/1024551756.db2.gz RXIZEGBQHNUPAI-JTQLQIEISA-N 2 2 308.310 3.533 20 0 DHADLP C[C@@H](CC[NH+](C)CCC(F)(F)F)[N@@H+](C)CCC(F)(F)F ZINC000431601176 1024551761 /nfs/dbraw/zinc/55/17/61/1024551761.db2.gz RXIZEGBQHNUPAI-JTQLQIEISA-N 2 2 308.310 3.533 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000315806934 1024563330 /nfs/dbraw/zinc/56/33/30/1024563330.db2.gz QPJXHBOYUDNZGD-HNNXBMFYSA-N 2 2 319.836 3.698 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000315806934 1024563333 /nfs/dbraw/zinc/56/33/33/1024563333.db2.gz QPJXHBOYUDNZGD-HNNXBMFYSA-N 2 2 319.836 3.698 20 0 DHADLP CCCC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925795332 1024567550 /nfs/dbraw/zinc/56/75/50/1024567550.db2.gz JZCMKUYMTLOUIF-OALUTQOASA-N 2 2 316.489 3.666 20 0 DHADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000532195709 1024572118 /nfs/dbraw/zinc/57/21/18/1024572118.db2.gz MHZPJFDIYANRSC-ZDUSSCGKSA-N 2 2 306.479 3.902 20 0 DHADLP CC[C@H]1CC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000558255167 1024574379 /nfs/dbraw/zinc/57/43/79/1024574379.db2.gz KQISALMAKNQDPE-VYESFELBSA-N 2 2 304.400 3.570 20 0 DHADLP C/C=C/COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000558255354 1024612275 /nfs/dbraw/zinc/61/22/75/1024612275.db2.gz LRKUZWFHTRGNFN-NGHLMZTLSA-N 2 2 304.478 3.502 20 0 DHADLP CO[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000283225556 1024612981 /nfs/dbraw/zinc/61/29/81/1024612981.db2.gz SZNONRWKGMUZRL-HOCLYGCPSA-N 2 2 319.836 3.630 20 0 DHADLP CO[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000283225556 1024612984 /nfs/dbraw/zinc/61/29/84/1024612984.db2.gz SZNONRWKGMUZRL-HOCLYGCPSA-N 2 2 319.836 3.630 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCCCC2 ZINC000348264056 1024617656 /nfs/dbraw/zinc/61/76/56/1024617656.db2.gz VNPQETJAIFNYOT-HNNXBMFYSA-N 2 2 321.534 3.997 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCCCC2 ZINC000348264056 1024617662 /nfs/dbraw/zinc/61/76/62/1024617662.db2.gz VNPQETJAIFNYOT-HNNXBMFYSA-N 2 2 321.534 3.997 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000759968725 1024628365 /nfs/dbraw/zinc/62/83/65/1024628365.db2.gz YGDIEQGNJRPHBX-HNNXBMFYSA-N 2 2 317.864 3.804 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(Cl)nc3ccccc23)CC1 ZINC000759968725 1024628372 /nfs/dbraw/zinc/62/83/72/1024628372.db2.gz YGDIEQGNJRPHBX-HNNXBMFYSA-N 2 2 317.864 3.804 20 0 DHADLP Cc1occc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000648431633 1024629765 /nfs/dbraw/zinc/62/97/65/1024629765.db2.gz OVBAKNBOINQROT-MRXNPFEDSA-N 2 2 312.457 3.773 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000760156176 1024674846 /nfs/dbraw/zinc/67/48/46/1024674846.db2.gz IWWUYVXISDVEIX-UWVGGRQHSA-N 2 2 313.232 3.511 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000349134043 1024679256 /nfs/dbraw/zinc/67/92/56/1024679256.db2.gz WLWBJSIHYPJPLE-HNNXBMFYSA-N 2 2 324.453 3.533 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000349134043 1024679263 /nfs/dbraw/zinc/67/92/63/1024679263.db2.gz WLWBJSIHYPJPLE-HNNXBMFYSA-N 2 2 324.453 3.533 20 0 DHADLP CC[C@H]1C[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001170207495 1024690351 /nfs/dbraw/zinc/69/03/51/1024690351.db2.gz LUILLYZELLRVIJ-UXHICEINSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@H]1C[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001170207495 1024690379 /nfs/dbraw/zinc/69/03/79/1024690379.db2.gz LUILLYZELLRVIJ-UXHICEINSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@H]1C[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001170207494 1024690998 /nfs/dbraw/zinc/69/09/98/1024690998.db2.gz LUILLYZELLRVIJ-PMACEKPBSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@H]1C[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001170207494 1024691004 /nfs/dbraw/zinc/69/10/04/1024691004.db2.gz LUILLYZELLRVIJ-PMACEKPBSA-N 2 2 316.489 3.540 20 0 DHADLP CCc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000349239503 1024691854 /nfs/dbraw/zinc/69/18/54/1024691854.db2.gz HUUXRZXYNSXOHM-UHFFFAOYSA-N 2 2 323.484 3.740 20 0 DHADLP CCc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000349239503 1024691862 /nfs/dbraw/zinc/69/18/62/1024691862.db2.gz HUUXRZXYNSXOHM-UHFFFAOYSA-N 2 2 323.484 3.740 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)CC2 ZINC000321261746 1024731460 /nfs/dbraw/zinc/73/14/60/1024731460.db2.gz ZDFZYYAHBUMKJE-QZTJIDSGSA-N 2 2 313.445 3.584 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001170283959 1024736115 /nfs/dbraw/zinc/73/61/15/1024736115.db2.gz CIDUTAJMMNNLFV-DZGCQCFKSA-N 2 2 303.837 3.807 20 0 DHADLP c1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000282890845 1024788977 /nfs/dbraw/zinc/78/89/77/1024788977.db2.gz ZHRIAWCTXVXHCR-HNNXBMFYSA-N 2 2 301.459 3.661 20 0 DHADLP c1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000282890845 1024788988 /nfs/dbraw/zinc/78/89/88/1024788988.db2.gz ZHRIAWCTXVXHCR-HNNXBMFYSA-N 2 2 301.459 3.661 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001168187137 1025017006 /nfs/dbraw/zinc/01/70/06/1025017006.db2.gz FPCPFZITWJWSNL-HIFRSBDPSA-N 2 2 303.837 3.807 20 0 DHADLP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000436439141 1025141558 /nfs/dbraw/zinc/14/15/58/1025141558.db2.gz LRPQKVIPOFMOQA-RDJZCZTQSA-N 2 2 316.836 3.604 20 0 DHADLP Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000436439141 1025141568 /nfs/dbraw/zinc/14/15/68/1025141568.db2.gz LRPQKVIPOFMOQA-RDJZCZTQSA-N 2 2 316.836 3.604 20 0 DHADLP CCSc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000353639999 1025169492 /nfs/dbraw/zinc/16/94/92/1025169492.db2.gz FPWCTMTWPCAPKR-OCCSQVGLSA-N 2 2 301.459 3.730 20 0 DHADLP Clc1c[nH+]ccc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282042938 1025234859 /nfs/dbraw/zinc/23/48/59/1025234859.db2.gz XJVMRFKSYPWPCN-ZDUSSCGKSA-N 2 2 316.836 3.652 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCC3)s2)[C@@H](C)C1 ZINC000353756989 1025235866 /nfs/dbraw/zinc/23/58/66/1025235866.db2.gz XQDRYVGBZKUULY-XJKSGUPXSA-N 2 2 307.507 3.573 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCC3)s2)[C@@H](C)C1 ZINC000353756989 1025235875 /nfs/dbraw/zinc/23/58/75/1025235875.db2.gz XQDRYVGBZKUULY-XJKSGUPXSA-N 2 2 307.507 3.573 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CCC3)s2)[C@@H](C)C1 ZINC000353756989 1025235885 /nfs/dbraw/zinc/23/58/85/1025235885.db2.gz XQDRYVGBZKUULY-XJKSGUPXSA-N 2 2 307.507 3.573 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)[C@@H](C)C1 ZINC000353756989 1025235890 /nfs/dbraw/zinc/23/58/90/1025235890.db2.gz XQDRYVGBZKUULY-XJKSGUPXSA-N 2 2 307.507 3.573 20 0 DHADLP Cc1ccc2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc2c1 ZINC001137217436 1025280952 /nfs/dbraw/zinc/28/09/52/1025280952.db2.gz XWGKXAUKTCNOQB-UHFFFAOYSA-N 2 2 306.413 3.577 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cscc2C(F)(F)F)CC[N@@H+]1C ZINC000356128196 1025334981 /nfs/dbraw/zinc/33/49/81/1025334981.db2.gz YLBWDRTYHGNCPT-CMPLNLGQSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cscc2C(F)(F)F)CC[N@H+]1C ZINC000356128196 1025334999 /nfs/dbraw/zinc/33/49/99/1025334999.db2.gz YLBWDRTYHGNCPT-CMPLNLGQSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cscc2C(F)(F)F)CC[NH+]1C ZINC000356128196 1025335014 /nfs/dbraw/zinc/33/50/14/1025335014.db2.gz YLBWDRTYHGNCPT-CMPLNLGQSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cscc2C(F)(F)F)CC[NH+]1C ZINC000356128196 1025335030 /nfs/dbraw/zinc/33/50/30/1025335030.db2.gz YLBWDRTYHGNCPT-CMPLNLGQSA-N 2 2 306.397 3.681 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC000354093019 1025347376 /nfs/dbraw/zinc/34/73/76/1025347376.db2.gz PQLJVYIAQCVVKB-IBGZPJMESA-N 2 2 324.403 3.893 20 0 DHADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1C(F)(F)F)C2 ZINC000660653968 1025403706 /nfs/dbraw/zinc/40/37/06/1025403706.db2.gz WPIJYNWYSIQERU-MRXNPFEDSA-N 2 2 312.379 3.623 20 0 DHADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1C(F)(F)F)C2 ZINC000660653968 1025403709 /nfs/dbraw/zinc/40/37/09/1025403709.db2.gz WPIJYNWYSIQERU-MRXNPFEDSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000660653968 1025403715 /nfs/dbraw/zinc/40/37/15/1025403715.db2.gz WPIJYNWYSIQERU-MRXNPFEDSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000660653968 1025403719 /nfs/dbraw/zinc/40/37/19/1025403719.db2.gz WPIJYNWYSIQERU-MRXNPFEDSA-N 2 2 312.379 3.623 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000125281464 1025463527 /nfs/dbraw/zinc/46/35/27/1025463527.db2.gz DVFSWLJQKFRBTH-UHFFFAOYSA-N 2 2 319.474 3.628 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC000125281464 1025463532 /nfs/dbraw/zinc/46/35/32/1025463532.db2.gz DVFSWLJQKFRBTH-UHFFFAOYSA-N 2 2 319.474 3.628 20 0 DHADLP C[C@@H](CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)OCc1ccccc1 ZINC000354699183 1025481562 /nfs/dbraw/zinc/48/15/62/1025481562.db2.gz FMZLXCZMDKKVPM-FUHWJXTLSA-N 2 2 313.445 3.585 20 0 DHADLP C[C@@H](CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)OCc1ccccc1 ZINC000354699183 1025481571 /nfs/dbraw/zinc/48/15/71/1025481571.db2.gz FMZLXCZMDKKVPM-FUHWJXTLSA-N 2 2 313.445 3.585 20 0 DHADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)n1cc[nH+]c1CC[NH3+] ZINC001172577827 1033290928 /nfs/dbraw/zinc/29/09/28/1033290928.db2.gz WOLQHJMNLWMGAL-JTQLQIEISA-N 2 2 313.779 3.510 20 0 DHADLP Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071122690 1025709304 /nfs/dbraw/zinc/70/93/04/1025709304.db2.gz NREAUKVPKYVIJQ-IBGZPJMESA-N 2 2 306.413 3.548 20 0 DHADLP Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071122690 1025709323 /nfs/dbraw/zinc/70/93/23/1025709323.db2.gz NREAUKVPKYVIJQ-IBGZPJMESA-N 2 2 306.413 3.548 20 0 DHADLP Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071122691 1025710990 /nfs/dbraw/zinc/71/09/90/1025710990.db2.gz NREAUKVPKYVIJQ-LJQANCHMSA-N 2 2 306.413 3.548 20 0 DHADLP Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071122691 1025711005 /nfs/dbraw/zinc/71/10/05/1025711005.db2.gz NREAUKVPKYVIJQ-LJQANCHMSA-N 2 2 306.413 3.548 20 0 DHADLP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)cc1 ZINC000359872772 1025724834 /nfs/dbraw/zinc/72/48/34/1025724834.db2.gz KVJRJOBNHDZRBV-KRWDZBQOSA-N 2 2 313.445 3.680 20 0 DHADLP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)cc1 ZINC000359872772 1025724848 /nfs/dbraw/zinc/72/48/48/1025724848.db2.gz KVJRJOBNHDZRBV-KRWDZBQOSA-N 2 2 313.445 3.680 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC3(F)CCC3)CC2)cc1 ZINC000806176510 1025801179 /nfs/dbraw/zinc/80/11/79/1025801179.db2.gz RMNOXWJCURTAHD-UHFFFAOYSA-N 2 2 319.468 3.593 20 0 DHADLP CC[C@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000806151633 1025810697 /nfs/dbraw/zinc/81/06/97/1025810697.db2.gz OHKWZQYOVQONMQ-KXBFYZLASA-N 2 2 301.478 3.818 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000194472368 1025962414 /nfs/dbraw/zinc/96/24/14/1025962414.db2.gz XGTJQJJJPWATFY-LBPRGKRZSA-N 2 2 309.866 3.590 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2sccc2Cl)C1 ZINC000194472368 1025962421 /nfs/dbraw/zinc/96/24/21/1025962421.db2.gz XGTJQJJJPWATFY-LBPRGKRZSA-N 2 2 309.866 3.590 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[N@@H+]1C ZINC000356291934 1026011108 /nfs/dbraw/zinc/01/11/08/1026011108.db2.gz WMUFBUKARLVIIS-HUUCEWRRSA-N 2 2 321.896 3.513 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CCCC2)CC[N@H+]1C ZINC000356291934 1026011128 /nfs/dbraw/zinc/01/11/28/1026011128.db2.gz WMUFBUKARLVIIS-HUUCEWRRSA-N 2 2 321.896 3.513 20 0 DHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310652 1026019258 /nfs/dbraw/zinc/01/92/58/1026019258.db2.gz VFXOPUANLPGDQL-FZMZJTMJSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310652 1026019241 /nfs/dbraw/zinc/01/92/41/1026019241.db2.gz VFXOPUANLPGDQL-FZMZJTMJSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310652 1026019278 /nfs/dbraw/zinc/01/92/78/1026019278.db2.gz VFXOPUANLPGDQL-FZMZJTMJSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310652 1026019293 /nfs/dbraw/zinc/01/92/93/1026019293.db2.gz VFXOPUANLPGDQL-FZMZJTMJSA-N 2 2 318.408 3.683 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000356887495 1026212440 /nfs/dbraw/zinc/21/24/40/1026212440.db2.gz YNWLAYZAUZVDPU-INIZCTEOSA-N 2 2 320.440 3.740 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000356889329 1026214741 /nfs/dbraw/zinc/21/47/41/1026214741.db2.gz FWCOREWYPKDRGI-HNNXBMFYSA-N 2 2 306.413 3.681 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)CC[N@@H+]1C ZINC000280191908 1026607075 /nfs/dbraw/zinc/60/70/75/1026607075.db2.gz UXWUPHDTRFFMMI-CZUORRHYSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)CC[N@H+]1C ZINC000280191908 1026607077 /nfs/dbraw/zinc/60/70/77/1026607077.db2.gz UXWUPHDTRFFMMI-CZUORRHYSA-N 2 2 302.393 3.658 20 0 DHADLP C[NH+](C)CC1(C[NH2+]Cc2ccnc(Cl)c2Cl)CCCC1 ZINC000811491113 1027012433 /nfs/dbraw/zinc/01/24/33/1027012433.db2.gz ZNCBPSRZTGBZRG-UHFFFAOYSA-N 2 2 316.276 3.600 20 0 DHADLP C[C@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000561951360 1027141675 /nfs/dbraw/zinc/14/16/75/1027141675.db2.gz PFYNWDJKZHUCLN-ZIAGYGMSSA-N 2 2 314.395 3.740 20 0 DHADLP C[C@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000561951360 1027141678 /nfs/dbraw/zinc/14/16/78/1027141678.db2.gz PFYNWDJKZHUCLN-ZIAGYGMSSA-N 2 2 314.395 3.740 20 0 DHADLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000271887959 1027170577 /nfs/dbraw/zinc/17/05/77/1027170577.db2.gz DHHAUENQWAPLKB-UHFFFAOYSA-N 2 2 311.351 3.817 20 0 DHADLP CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000272033023 1027206612 /nfs/dbraw/zinc/20/66/12/1027206612.db2.gz URHTZFMOXDPYBI-MJGOQNOKSA-N 2 2 313.445 3.556 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+][C@H]3C[NH2+]CC[C@H]3C)cc2)cs1 ZINC000422807755 1027330615 /nfs/dbraw/zinc/33/06/15/1027330615.db2.gz PJNRZISGMQVZEI-IGCXYCKISA-N 2 2 315.486 3.767 20 0 DHADLP CSCc1cc(F)ccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422862482 1027341679 /nfs/dbraw/zinc/34/16/79/1027341679.db2.gz KKDJBYRWRLRPCZ-ZWKOTPCHSA-N 2 2 316.445 3.923 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1c[nH+]ccc1N ZINC000422853554 1027344343 /nfs/dbraw/zinc/34/43/43/1027344343.db2.gz ZCMUAWHKYLPWND-ZUZCIYMTSA-N 2 2 303.406 3.521 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccc1OCC(C)C ZINC000422941150 1027370740 /nfs/dbraw/zinc/37/07/40/1027370740.db2.gz NWXFGHSPSDEDQZ-YQQAZPJKSA-N 2 2 320.477 3.521 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000812716704 1027374166 /nfs/dbraw/zinc/37/41/66/1027374166.db2.gz DTAYFPHKSDVFDB-AEFFLSMTSA-N 2 2 313.445 3.671 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)c2ccccc21 ZINC000422944651 1027376541 /nfs/dbraw/zinc/37/65/41/1027376541.db2.gz LTLBMPZFAUTBBK-HZPDHXFCSA-N 2 2 304.340 3.522 20 0 DHADLP C[C@@H]([NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423100214 1027419022 /nfs/dbraw/zinc/41/90/22/1027419022.db2.gz GQOKNASULIPGTB-BVGQSLNGSA-N 2 2 322.880 3.538 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCCc2sc(Cl)cc21)c1c[nH+]ccc1N ZINC000423131788 1027429654 /nfs/dbraw/zinc/42/96/54/1027429654.db2.gz OJSYBBDRLGTOJQ-RNCFNFMXSA-N 2 2 307.850 3.937 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)c2ccccc21 ZINC000423140147 1027434060 /nfs/dbraw/zinc/43/40/60/1027434060.db2.gz XMLXLGDZHNUSBO-LSDHHAIUSA-N 2 2 322.330 3.662 20 0 DHADLP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(F)ccc1F ZINC000423181896 1027445005 /nfs/dbraw/zinc/44/50/05/1027445005.db2.gz DHAYISVJWNPWQL-SFHVURJKSA-N 2 2 319.399 3.580 20 0 DHADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)cc1Cl ZINC000423190863 1027450018 /nfs/dbraw/zinc/45/00/18/1027450018.db2.gz RVJQRAVDWLHIJP-CYBMUJFWSA-N 2 2 321.827 3.705 20 0 DHADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423240599 1027458810 /nfs/dbraw/zinc/45/88/10/1027458810.db2.gz KSPXCLIHZDCONF-BLLLJJGKSA-N 2 2 306.356 3.639 20 0 DHADLP Fc1ccc(/C=C\C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000575162829 1027459652 /nfs/dbraw/zinc/45/96/52/1027459652.db2.gz LQWVDVMZLAKXDV-VGOKWCNXSA-N 2 2 320.427 3.786 20 0 DHADLP Fc1ccc(/C=C\C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000575162829 1027459659 /nfs/dbraw/zinc/45/96/59/1027459659.db2.gz LQWVDVMZLAKXDV-VGOKWCNXSA-N 2 2 320.427 3.786 20 0 DHADLP Cc1nsc(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000575244117 1027466715 /nfs/dbraw/zinc/46/67/15/1027466715.db2.gz WEMYLZCHICMYRC-PBHICJAKSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nsc(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000575244117 1027466719 /nfs/dbraw/zinc/46/67/19/1027466719.db2.gz WEMYLZCHICMYRC-PBHICJAKSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nsc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000575244117 1027466721 /nfs/dbraw/zinc/46/67/21/1027466721.db2.gz WEMYLZCHICMYRC-PBHICJAKSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nsc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000575244117 1027466726 /nfs/dbraw/zinc/46/67/26/1027466726.db2.gz WEMYLZCHICMYRC-PBHICJAKSA-N 2 2 321.534 3.846 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423244206 1027471205 /nfs/dbraw/zinc/47/12/05/1027471205.db2.gz NIIVWFAJKBLFEY-RTBURBONSA-N 2 2 310.441 3.707 20 0 DHADLP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423241334 1027471508 /nfs/dbraw/zinc/47/15/08/1027471508.db2.gz LJVFQGVFGOFICJ-PMACEKPBSA-N 2 2 312.457 3.517 20 0 DHADLP Cc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccn1 ZINC000575319802 1027471664 /nfs/dbraw/zinc/47/16/64/1027471664.db2.gz CPVFLUZJNGZAMU-UHFFFAOYSA-N 2 2 320.440 3.679 20 0 DHADLP Cc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccn1 ZINC000575319802 1027471668 /nfs/dbraw/zinc/47/16/68/1027471668.db2.gz CPVFLUZJNGZAMU-UHFFFAOYSA-N 2 2 320.440 3.679 20 0 DHADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(Br)c1 ZINC000423242533 1027472885 /nfs/dbraw/zinc/47/28/85/1027472885.db2.gz MDRGNRRUOAEHBF-BLLLJJGKSA-N 2 2 319.246 3.800 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1F ZINC000423242956 1027473091 /nfs/dbraw/zinc/47/30/91/1027473091.db2.gz MKAFCEUFDOZDQB-LRDDRELGSA-N 2 2 304.434 3.898 20 0 DHADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000423290141 1027485572 /nfs/dbraw/zinc/48/55/72/1027485572.db2.gz ZFHNTJGKOSFZMM-JTQLQIEISA-N 2 2 304.356 3.595 20 0 DHADLP [NH3+][C@@H](C[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21)C1CC1 ZINC000423314917 1027497254 /nfs/dbraw/zinc/49/72/54/1027497254.db2.gz IDJUFEBWWNKXNV-STQMWFEESA-N 2 2 315.244 3.534 20 0 DHADLP Cc1cc([C@H]([NH2+]CC2C[NH2+]C2)c2cccc(Cl)c2)c(C)s1 ZINC000423312080 1027497471 /nfs/dbraw/zinc/49/74/71/1027497471.db2.gz CSQIGTNGSAOSOV-QGZVFWFLSA-N 2 2 320.889 3.917 20 0 DHADLP [NH3+][C@H](C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)C1CC1 ZINC000423313828 1027497867 /nfs/dbraw/zinc/49/78/67/1027497867.db2.gz GCLUNJGUBYHRHF-QZTJIDSGSA-N 2 2 300.833 3.756 20 0 DHADLP [NH3+][C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C1CC1 ZINC000423322148 1027500206 /nfs/dbraw/zinc/50/02/06/1027500206.db2.gz NQUNPLOCXMDJMS-QZTJIDSGSA-N 2 2 318.823 3.895 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423332042 1027510668 /nfs/dbraw/zinc/51/06/68/1027510668.db2.gz OTRGAEIOPUDWRW-KDOFPFPSSA-N 2 2 315.486 3.850 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000423361755 1027521794 /nfs/dbraw/zinc/52/17/94/1027521794.db2.gz MNKRXKKLBQEEBY-YQQAZPJKSA-N 2 2 320.477 3.523 20 0 DHADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423369806 1027523810 /nfs/dbraw/zinc/52/38/10/1027523810.db2.gz OSPNJTLOCFOXCI-YUMQZZPRSA-N 2 2 314.273 3.722 20 0 DHADLP COCC1CCC([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000423365134 1027524478 /nfs/dbraw/zinc/52/44/78/1027524478.db2.gz CWKWJMMOAAOHJI-OAAAQFAESA-N 2 2 312.457 3.634 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OCC ZINC000423368449 1027525171 /nfs/dbraw/zinc/52/51/71/1027525171.db2.gz RYERAJSNLMDGHW-BHYGNILZSA-N 2 2 320.477 3.523 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000575956396 1027534621 /nfs/dbraw/zinc/53/46/21/1027534621.db2.gz RVSXKVUOUYMLIH-NHYWBVRUSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)cc1Cl ZINC000575956394 1027534507 /nfs/dbraw/zinc/53/45/07/1027534507.db2.gz RVSXKVUOUYMLIH-ABAIWWIYSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)cc1Cl ZINC000575956394 1027534516 /nfs/dbraw/zinc/53/45/16/1027534516.db2.gz RVSXKVUOUYMLIH-ABAIWWIYSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000575956394 1027534527 /nfs/dbraw/zinc/53/45/27/1027534527.db2.gz RVSXKVUOUYMLIH-ABAIWWIYSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000575956394 1027534532 /nfs/dbraw/zinc/53/45/32/1027534532.db2.gz RVSXKVUOUYMLIH-ABAIWWIYSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)cc1Cl ZINC000575956396 1027534586 /nfs/dbraw/zinc/53/45/86/1027534586.db2.gz RVSXKVUOUYMLIH-NHYWBVRUSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)cc1Cl ZINC000575956396 1027534593 /nfs/dbraw/zinc/53/45/93/1027534593.db2.gz RVSXKVUOUYMLIH-NHYWBVRUSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000575956396 1027534610 /nfs/dbraw/zinc/53/46/10/1027534610.db2.gz RVSXKVUOUYMLIH-NHYWBVRUSA-N 2 2 301.261 3.765 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000423375761 1027535392 /nfs/dbraw/zinc/53/53/92/1027535392.db2.gz DGWFVMIPDAMGJS-OXQOHEQNSA-N 2 2 312.457 3.567 20 0 DHADLP C[C@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)C1CCSCC1 ZINC000423405819 1027538466 /nfs/dbraw/zinc/53/84/66/1027538466.db2.gz TZGJMFTYBHZCAH-LIRRHRJNSA-N 2 2 314.498 3.961 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)c1cc2cc(Br)ccc2o1)[C@H](C)[NH3+] ZINC000423445231 1027544499 /nfs/dbraw/zinc/54/44/99/1027544499.db2.gz MMYWREJUMDGDTK-AEJSXWLSSA-N 2 2 311.223 3.582 20 0 DHADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)CCC[NH2+]1 ZINC000423429543 1027547736 /nfs/dbraw/zinc/54/77/36/1027547736.db2.gz OZGXKONXKZIRIR-MAUKXSAKSA-N 2 2 322.518 3.606 20 0 DHADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423454653 1027563804 /nfs/dbraw/zinc/56/38/04/1027563804.db2.gz ZHTLVASGWIDQOJ-GDZNZVCISA-N 2 2 320.383 3.703 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000423498227 1027564860 /nfs/dbraw/zinc/56/48/60/1027564860.db2.gz HVBLGOZSHOXXPD-VBKZILBWSA-N 2 2 310.441 3.630 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423503647 1027567450 /nfs/dbraw/zinc/56/74/50/1027567450.db2.gz MYJVOZQEPLQOCE-OALUTQOASA-N 2 2 310.441 3.622 20 0 DHADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000423533899 1027577751 /nfs/dbraw/zinc/57/77/51/1027577751.db2.gz UPGPZDGBBAVDKX-BBRMVZONSA-N 2 2 315.486 3.978 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+][C@@H]3CCCC[NH2+]C3)cs2)cs1 ZINC000423568623 1027585715 /nfs/dbraw/zinc/58/57/15/1027585715.db2.gz VSIAHFQWXUSLSZ-SMDDNHRTSA-N 2 2 321.515 3.973 20 0 DHADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000364464913 1027826098 /nfs/dbraw/zinc/82/60/98/1027826098.db2.gz ICQFKQMQYZJNQT-LJQANCHMSA-N 2 2 311.473 3.619 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)s2)[C@@H]1c1cccnc1 ZINC000364699161 1027875487 /nfs/dbraw/zinc/87/54/87/1027875487.db2.gz SNDSKBATMAEHTQ-BBRMVZONSA-N 2 2 321.877 3.579 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)s2)[C@@H]1c1cccnc1 ZINC000364699161 1027875509 /nfs/dbraw/zinc/87/55/09/1027875509.db2.gz SNDSKBATMAEHTQ-BBRMVZONSA-N 2 2 321.877 3.579 20 0 DHADLP c1cnc2c(c1)cccc2C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751706 1027876007 /nfs/dbraw/zinc/87/60/07/1027876007.db2.gz KOSKDDGAYTXODV-LJQANCHMSA-N 2 2 309.457 3.731 20 0 DHADLP c1cnc2c(c1)cccc2C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527751706 1027876022 /nfs/dbraw/zinc/87/60/22/1027876022.db2.gz KOSKDDGAYTXODV-LJQANCHMSA-N 2 2 309.457 3.731 20 0 DHADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000527899487 1027949165 /nfs/dbraw/zinc/94/91/65/1027949165.db2.gz DIBNYBRJKKVDRE-JSGCOSHPSA-N 2 2 301.821 3.804 20 0 DHADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccnc1 ZINC000527944336 1027979250 /nfs/dbraw/zinc/97/92/50/1027979250.db2.gz CQNDLPDQEBATMQ-RBUKOAKNSA-N 2 2 301.478 3.775 20 0 DHADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cccnc1 ZINC000527944336 1027979264 /nfs/dbraw/zinc/97/92/64/1027979264.db2.gz CQNDLPDQEBATMQ-RBUKOAKNSA-N 2 2 301.478 3.775 20 0 DHADLP C([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954191 1027986835 /nfs/dbraw/zinc/98/68/35/1027986835.db2.gz ZAMPIKWDAUSEQJ-LJQANCHMSA-N 2 2 320.521 3.722 20 0 DHADLP C([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527954191 1027986852 /nfs/dbraw/zinc/98/68/52/1027986852.db2.gz ZAMPIKWDAUSEQJ-LJQANCHMSA-N 2 2 320.521 3.722 20 0 DHADLP CCCn1cc[nH+]c1CCCN(C)c1[nH+]ccc2ccccc21 ZINC000527976279 1028000030 /nfs/dbraw/zinc/00/00/30/1028000030.db2.gz DEIXBSBTBACBKB-UHFFFAOYSA-N 2 2 308.429 3.910 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1cccc(C)c1)C1CC1)CCC2 ZINC000366230382 1028068546 /nfs/dbraw/zinc/06/85/46/1028068546.db2.gz LIFYPVABPJMJKT-PMACEKPBSA-N 2 2 323.484 3.988 20 0 DHADLP CCCCCC[C@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000809995393 1028074500 /nfs/dbraw/zinc/07/45/00/1028074500.db2.gz QRRYVMXNPXYWLH-KRWDZBQOSA-N 2 2 320.477 3.565 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCCO2 ZINC000366436348 1028077027 /nfs/dbraw/zinc/07/70/27/1028077027.db2.gz UYDLPZYTUPRZOK-HTWSVDAQSA-N 2 2 318.436 3.646 20 0 DHADLP Cc1cccc(NC2CC[NH+](Cc3ccc(Cl)cn3)CC2)[nH+]1 ZINC000366740623 1028105881 /nfs/dbraw/zinc/10/58/81/1028105881.db2.gz SMHUZZTZYOARNY-UHFFFAOYSA-N 2 2 316.836 3.515 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000367626953 1028218827 /nfs/dbraw/zinc/21/88/27/1028218827.db2.gz QPVRJEUIJOQQMT-HNNXBMFYSA-N 2 2 315.486 3.767 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000367701385 1028227950 /nfs/dbraw/zinc/22/79/50/1028227950.db2.gz GIVRTTLGAZPRDS-OAHLLOKOSA-N 2 2 323.396 3.795 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000367701385 1028227965 /nfs/dbraw/zinc/22/79/65/1028227965.db2.gz GIVRTTLGAZPRDS-OAHLLOKOSA-N 2 2 323.396 3.795 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000449018113 1028250495 /nfs/dbraw/zinc/25/04/95/1028250495.db2.gz RJDYIIFCYFXFMA-KRWDZBQOSA-N 2 2 321.424 3.951 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000449018113 1028250510 /nfs/dbraw/zinc/25/05/10/1028250510.db2.gz RJDYIIFCYFXFMA-KRWDZBQOSA-N 2 2 321.424 3.951 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1C(F)(F)F ZINC000367998516 1028271472 /nfs/dbraw/zinc/27/14/72/1028271472.db2.gz UEVFVSMNXXYODE-MNOVXSKESA-N 2 2 309.335 3.637 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1C(F)(F)F ZINC000367998512 1028271998 /nfs/dbraw/zinc/27/19/98/1028271998.db2.gz UEVFVSMNXXYODE-GHMZBOCLSA-N 2 2 309.335 3.637 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(-c2ccncc2)c1 ZINC000368100847 1028297031 /nfs/dbraw/zinc/29/70/31/1028297031.db2.gz INUOYSAMNJYWEC-RDTXWAMCSA-N 2 2 318.424 3.680 20 0 DHADLP Clc1ccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000368102413 1028298248 /nfs/dbraw/zinc/29/82/48/1028298248.db2.gz OHHFIKRQAGFPEV-RHSMWYFYSA-N 2 2 301.821 3.661 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C(F)(F)F)c1 ZINC000368099490 1028300028 /nfs/dbraw/zinc/30/00/28/1028300028.db2.gz FQLBYJSXGVJFNB-MFKMUULPSA-N 2 2 309.335 3.637 20 0 DHADLP Clc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000368102415 1028300587 /nfs/dbraw/zinc/30/05/87/1028300587.db2.gz OHHFIKRQAGFPEV-YOEHRIQHSA-N 2 2 301.821 3.661 20 0 DHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000449064479 1028301157 /nfs/dbraw/zinc/30/11/57/1028301157.db2.gz QADUFWKZMPCRIG-UHFFFAOYSA-N 3 2 320.525 3.542 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1Cl ZINC000368103801 1028303500 /nfs/dbraw/zinc/30/35/00/1028303500.db2.gz YTQZFTHEKDYLQU-VHSXEESVSA-N 2 2 310.228 3.925 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(COC)CC1)c1ccccc1 ZINC000449065782 1028304957 /nfs/dbraw/zinc/30/49/57/1028304957.db2.gz WGAFGCUXTBHCPV-LYBXBRPPSA-N 2 2 318.505 3.864 20 0 DHADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000368262615 1028325849 /nfs/dbraw/zinc/32/58/49/1028325849.db2.gz ZLJCVMQNGKGVKJ-BQJUDKOJSA-N 2 2 321.468 3.562 20 0 DHADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000368262615 1028325866 /nfs/dbraw/zinc/32/58/66/1028325866.db2.gz ZLJCVMQNGKGVKJ-BQJUDKOJSA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000368262615 1028325876 /nfs/dbraw/zinc/32/58/76/1028325876.db2.gz ZLJCVMQNGKGVKJ-BQJUDKOJSA-N 2 2 321.468 3.562 20 0 DHADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000368262615 1028325883 /nfs/dbraw/zinc/32/58/83/1028325883.db2.gz ZLJCVMQNGKGVKJ-BQJUDKOJSA-N 2 2 321.468 3.562 20 0 DHADLP FC(F)(F)c1ccc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000368399007 1028347955 /nfs/dbraw/zinc/34/79/55/1028347955.db2.gz HDPXNIASZJRXEW-HNNXBMFYSA-N 2 2 323.362 3.782 20 0 DHADLP FC(F)(F)c1ccc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000368399007 1028347972 /nfs/dbraw/zinc/34/79/72/1028347972.db2.gz HDPXNIASZJRXEW-HNNXBMFYSA-N 2 2 323.362 3.782 20 0 DHADLP COCCC1(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)CCCCC1 ZINC000368721778 1028400780 /nfs/dbraw/zinc/40/07/80/1028400780.db2.gz KOPBHHCWOWLMAL-QGZVFWFLSA-N 2 2 319.493 3.646 20 0 DHADLP CCC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCCC1 ZINC000449155078 1028404512 /nfs/dbraw/zinc/40/45/12/1028404512.db2.gz OWOLWBPPTGFTAC-GOSISDBHSA-N 2 2 310.526 3.824 20 0 DHADLP Cc1ccc2sc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000528418274 1028406343 /nfs/dbraw/zinc/40/63/43/1028406343.db2.gz QDLMXVTXLZWSQA-CYBMUJFWSA-N 2 2 312.442 3.707 20 0 DHADLP Cc1ccc2sc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc2c1 ZINC000528418274 1028406347 /nfs/dbraw/zinc/40/63/47/1028406347.db2.gz QDLMXVTXLZWSQA-CYBMUJFWSA-N 2 2 312.442 3.707 20 0 DHADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000579651863 1028460889 /nfs/dbraw/zinc/46/08/89/1028460889.db2.gz ILSWJAJOJRTPEQ-YGRLFVJLSA-N 2 2 322.239 3.851 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccco2)[C@@H]1c1cccc(Cl)c1 ZINC000369336770 1028474303 /nfs/dbraw/zinc/47/43/03/1028474303.db2.gz CSFWXPGBNUKKFF-YOEHRIQHSA-N 2 2 304.821 3.716 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccco2)[C@@H]1c1cccc(Cl)c1 ZINC000369336770 1028474309 /nfs/dbraw/zinc/47/43/09/1028474309.db2.gz CSFWXPGBNUKKFF-YOEHRIQHSA-N 2 2 304.821 3.716 20 0 DHADLP C/C(Cl)=C\C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000528495997 1028475397 /nfs/dbraw/zinc/47/53/97/1028475397.db2.gz FWIRYMDTOXQDIC-MRHLJLSQSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C\C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000528495997 1028475404 /nfs/dbraw/zinc/47/54/04/1028475404.db2.gz FWIRYMDTOXQDIC-MRHLJLSQSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C\C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000528495997 1028475411 /nfs/dbraw/zinc/47/54/11/1028475411.db2.gz FWIRYMDTOXQDIC-MRHLJLSQSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C\C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000528495997 1028475416 /nfs/dbraw/zinc/47/54/16/1028475416.db2.gz FWIRYMDTOXQDIC-MRHLJLSQSA-N 2 2 312.910 3.953 20 0 DHADLP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000449281628 1028507976 /nfs/dbraw/zinc/50/79/76/1028507976.db2.gz DOMFPCHYLSYIFF-KGXSXCIVSA-N 2 2 320.521 3.863 20 0 DHADLP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000449281628 1028507982 /nfs/dbraw/zinc/50/79/82/1028507982.db2.gz DOMFPCHYLSYIFF-KGXSXCIVSA-N 2 2 320.521 3.863 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)c1cccc(Cl)c1 ZINC000369881054 1028541887 /nfs/dbraw/zinc/54/18/87/1028541887.db2.gz DXJIICJMIDHJPD-JKSUJKDBSA-N 2 2 303.837 3.901 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1Cl ZINC000370114088 1028565785 /nfs/dbraw/zinc/56/57/85/1028565785.db2.gz TXWIPESMUVZSRJ-CYBMUJFWSA-N 2 2 303.837 3.766 20 0 DHADLP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1C ZINC000370410167 1028600850 /nfs/dbraw/zinc/60/08/50/1028600850.db2.gz MCBGTDWCXXTBMM-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1C ZINC000370410167 1028600861 /nfs/dbraw/zinc/60/08/61/1028600861.db2.gz MCBGTDWCXXTBMM-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1C ZINC000370410167 1028600868 /nfs/dbraw/zinc/60/08/68/1028600868.db2.gz MCBGTDWCXXTBMM-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1C ZINC000370410167 1028600875 /nfs/dbraw/zinc/60/08/75/1028600875.db2.gz MCBGTDWCXXTBMM-SFTDATJTSA-N 2 2 323.484 3.823 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000370494812 1028609506 /nfs/dbraw/zinc/60/95/06/1028609506.db2.gz KSPZZNRJZHJLIF-ROUUACIJSA-N 3 2 318.509 3.518 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cccs1 ZINC000370630762 1028626185 /nfs/dbraw/zinc/62/61/85/1028626185.db2.gz XMCCOJMOFCYQED-WBVHZDCISA-N 2 2 315.486 3.706 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccs1 ZINC000370630762 1028626195 /nfs/dbraw/zinc/62/61/95/1028626195.db2.gz XMCCOJMOFCYQED-WBVHZDCISA-N 2 2 315.486 3.706 20 0 DHADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370627327 1028627187 /nfs/dbraw/zinc/62/71/87/1028627187.db2.gz AMOOYHMKCZNYTI-NQIIRXRSSA-N 2 2 321.468 3.571 20 0 DHADLP c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370627327 1028627194 /nfs/dbraw/zinc/62/71/94/1028627194.db2.gz AMOOYHMKCZNYTI-NQIIRXRSSA-N 2 2 321.468 3.571 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC(C)(C)C1 ZINC000370636873 1028629025 /nfs/dbraw/zinc/62/90/25/1028629025.db2.gz VJYLPZOSMABVPV-LULLPPNCSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC(C)(C)C1 ZINC000370636873 1028629029 /nfs/dbraw/zinc/62/90/29/1028629029.db2.gz VJYLPZOSMABVPV-LULLPPNCSA-N 2 2 315.505 3.879 20 0 DHADLP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C(C)C)c(F)c1 ZINC000566003857 1028666028 /nfs/dbraw/zinc/66/60/28/1028666028.db2.gz GLYRYGKKLRVIRY-SFHVURJKSA-N 2 2 319.424 3.798 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)Cc1ccc(Cl)cc1)CCC2 ZINC000371426697 1028709904 /nfs/dbraw/zinc/70/99/04/1028709904.db2.gz QNFJPESGCTUPQF-XJKSGUPXSA-N 2 2 317.864 3.943 20 0 DHADLP C[N@H+](Cc1cccc2[nH]ccc21)C1CCN(c2cccc[nH+]2)CC1 ZINC000371421266 1028710052 /nfs/dbraw/zinc/71/00/52/1028710052.db2.gz POEWFWNZGBNUFS-UHFFFAOYSA-N 2 2 320.440 3.664 20 0 DHADLP C[N@@H+](Cc1cccc2[nH]ccc21)C1CCN(c2cccc[nH+]2)CC1 ZINC000371421266 1028710069 /nfs/dbraw/zinc/71/00/69/1028710069.db2.gz POEWFWNZGBNUFS-UHFFFAOYSA-N 2 2 320.440 3.664 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000371541404 1028727539 /nfs/dbraw/zinc/72/75/39/1028727539.db2.gz AWECNDAGTCZYCE-MRXNPFEDSA-N 2 2 318.852 3.892 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000371541404 1028727554 /nfs/dbraw/zinc/72/75/54/1028727554.db2.gz AWECNDAGTCZYCE-MRXNPFEDSA-N 2 2 318.852 3.892 20 0 DHADLP CCc1cccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000567618289 1028927238 /nfs/dbraw/zinc/92/72/38/1028927238.db2.gz DOEIJEIPBPWMAU-UHFFFAOYSA-N 2 2 312.457 3.938 20 0 DHADLP CCc1cccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000567618289 1028927250 /nfs/dbraw/zinc/92/72/50/1028927250.db2.gz DOEIJEIPBPWMAU-UHFFFAOYSA-N 2 2 312.457 3.938 20 0 DHADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000373186131 1028971891 /nfs/dbraw/zinc/97/18/91/1028971891.db2.gz NFDQGOLSBPZSJV-PBWTXFEYSA-N 2 2 320.525 3.607 20 0 DHADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000373186131 1028971911 /nfs/dbraw/zinc/97/19/11/1028971911.db2.gz NFDQGOLSBPZSJV-PBWTXFEYSA-N 2 2 320.525 3.607 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000567965868 1028986300 /nfs/dbraw/zinc/98/63/00/1028986300.db2.gz FJHQRAXPGCSBQV-UHFFFAOYSA-N 2 2 304.409 3.778 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[N@H+](C)CCC[NH+](C)C)o1 ZINC000567965868 1028986331 /nfs/dbraw/zinc/98/63/31/1028986331.db2.gz FJHQRAXPGCSBQV-UHFFFAOYSA-N 2 2 304.409 3.778 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)cc(Cl)c1 ZINC000568334185 1029049219 /nfs/dbraw/zinc/04/92/19/1029049219.db2.gz SKKSYHZPICHPSG-NOZJJQNGSA-N 2 2 310.228 3.925 20 0 DHADLP Cc1cc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000411164311 1029050009 /nfs/dbraw/zinc/05/00/09/1029050009.db2.gz LXCGMTQCBAAGKH-UHFFFAOYSA-N 2 2 313.445 3.601 20 0 DHADLP Cc1cc(C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000411164311 1029050023 /nfs/dbraw/zinc/05/00/23/1029050023.db2.gz LXCGMTQCBAAGKH-UHFFFAOYSA-N 2 2 313.445 3.601 20 0 DHADLP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000411288847 1029094864 /nfs/dbraw/zinc/09/48/64/1029094864.db2.gz FQRQXCCTRANCKN-JLSDUUJJSA-N 2 2 311.404 3.511 20 0 DHADLP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000411288847 1029094886 /nfs/dbraw/zinc/09/48/86/1029094886.db2.gz FQRQXCCTRANCKN-JLSDUUJJSA-N 2 2 311.404 3.511 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccnc1Cl ZINC000817984306 1029320248 /nfs/dbraw/zinc/32/02/48/1029320248.db2.gz PYWBMGSGVLMIMB-XZELYNGVSA-N 2 2 319.880 3.539 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@]4(C3)CCC[N@@H+](C)C4)[nH+]c2c1 ZINC000570228998 1029332574 /nfs/dbraw/zinc/33/25/74/1029332574.db2.gz XPDPIDXRPGNSPZ-HXUWFJFHSA-N 2 2 309.457 3.774 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@]4(C3)CCC[N@H+](C)C4)[nH+]c2c1 ZINC000570228998 1029332588 /nfs/dbraw/zinc/33/25/88/1029332588.db2.gz XPDPIDXRPGNSPZ-HXUWFJFHSA-N 2 2 309.457 3.774 20 0 DHADLP C[NH+](C)[C@@H]1CCCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450304884 1029338622 /nfs/dbraw/zinc/33/86/22/1029338622.db2.gz NZHJZAJWJSYYOD-LLVKDONJSA-N 2 2 307.800 3.558 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629521170 1029355074 /nfs/dbraw/zinc/35/50/74/1029355074.db2.gz RKSQFGPVMSMVBG-ZIAGYGMSSA-N 2 2 311.256 3.855 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C(F)(F)F)[C@H](C)C1 ZINC000529528599 1029358106 /nfs/dbraw/zinc/35/81/06/1029358106.db2.gz KNXKFYPPVUPPIP-DGCLKSJQSA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccsc2C(F)(F)F)[C@H](C)C1 ZINC000529528599 1029358124 /nfs/dbraw/zinc/35/81/24/1029358124.db2.gz KNXKFYPPVUPPIP-DGCLKSJQSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccsc2C(F)(F)F)[C@H](C)C1 ZINC000529528599 1029358139 /nfs/dbraw/zinc/35/81/39/1029358139.db2.gz KNXKFYPPVUPPIP-DGCLKSJQSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)[C@H](C)C1 ZINC000529528599 1029358154 /nfs/dbraw/zinc/35/81/54/1029358154.db2.gz KNXKFYPPVUPPIP-DGCLKSJQSA-N 2 2 320.424 3.929 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1OCC ZINC000629525996 1029359007 /nfs/dbraw/zinc/35/90/07/1029359007.db2.gz IMBRGQBRTYPUHX-YESZJQIVSA-N 2 2 320.477 3.665 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542110 1029361863 /nfs/dbraw/zinc/36/18/63/1029361863.db2.gz YLQLWANRFZLPNF-MQYQWHSLSA-N 2 2 303.475 3.518 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000629544873 1029364305 /nfs/dbraw/zinc/36/43/05/1029364305.db2.gz MTXGTQZWPIVNMR-GLQYFDAESA-N 2 2 300.368 3.743 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629660623 1029412366 /nfs/dbraw/zinc/41/23/66/1029412366.db2.gz WNQBFUFXWBYXTJ-QAPCUYQASA-N 2 2 310.441 3.592 20 0 DHADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001170911553 1029424886 /nfs/dbraw/zinc/42/48/86/1029424886.db2.gz YDTCNBQZOADPRI-SJORKVTESA-N 2 2 318.892 3.661 20 0 DHADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001170911553 1029424891 /nfs/dbraw/zinc/42/48/91/1029424891.db2.gz YDTCNBQZOADPRI-SJORKVTESA-N 2 2 318.892 3.661 20 0 DHADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000450425326 1029457106 /nfs/dbraw/zinc/45/71/06/1029457106.db2.gz NBFWYDYZEHIVTQ-MRXNPFEDSA-N 2 2 322.880 3.799 20 0 DHADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1Cl ZINC000450425326 1029457115 /nfs/dbraw/zinc/45/71/15/1029457115.db2.gz NBFWYDYZEHIVTQ-MRXNPFEDSA-N 2 2 322.880 3.799 20 0 DHADLP C(=C/c1ccccc1)\CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000450427437 1029457713 /nfs/dbraw/zinc/45/77/13/1029457713.db2.gz SNMJOKZNBTXSIU-CEQQRPIWSA-N 2 2 307.441 3.919 20 0 DHADLP C(=C/c1ccccc1)\CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000450427437 1029457724 /nfs/dbraw/zinc/45/77/24/1029457724.db2.gz SNMJOKZNBTXSIU-CEQQRPIWSA-N 2 2 307.441 3.919 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000374814168 1029463394 /nfs/dbraw/zinc/46/33/94/1029463394.db2.gz LECPLBGBACUIJC-SFHVURJKSA-N 2 2 319.399 3.682 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000374814168 1029463401 /nfs/dbraw/zinc/46/34/01/1029463401.db2.gz LECPLBGBACUIJC-SFHVURJKSA-N 2 2 319.399 3.682 20 0 DHADLP Clc1ccccc1C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450783821 1029651286 /nfs/dbraw/zinc/65/12/86/1029651286.db2.gz FHAGPHJHVFQZJX-OAHLLOKOSA-N 2 2 315.848 3.862 20 0 DHADLP Clc1ccccc1C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450783821 1029651290 /nfs/dbraw/zinc/65/12/90/1029651290.db2.gz FHAGPHJHVFQZJX-OAHLLOKOSA-N 2 2 315.848 3.862 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000530387055 1029833424 /nfs/dbraw/zinc/83/34/24/1029833424.db2.gz FPSQCKPFJCGALK-GOSISDBHSA-N 2 2 313.445 3.684 20 0 DHADLP C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290185712 1029937883 /nfs/dbraw/zinc/93/78/83/1029937883.db2.gz FRPMTRBQNVEWJM-RDJZCZTQSA-N 2 2 319.408 3.699 20 0 DHADLP CC(C)(C)c1csc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000865636634 1029952961 /nfs/dbraw/zinc/95/29/61/1029952961.db2.gz ZLTALIZEFFVKCI-HNNXBMFYSA-N 2 2 321.534 3.652 20 0 DHADLP CC(C)(C)c1csc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000865636634 1029952973 /nfs/dbraw/zinc/95/29/73/1029952973.db2.gz ZLTALIZEFFVKCI-HNNXBMFYSA-N 2 2 321.534 3.652 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccc(Cl)c3)CCC2)n1C ZINC000865777047 1030015933 /nfs/dbraw/zinc/01/59/33/1030015933.db2.gz OZUALDRSDOEEHP-UHFFFAOYSA-N 2 2 303.837 3.593 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377285 1030021367 /nfs/dbraw/zinc/02/13/67/1030021367.db2.gz HWFGSAINXRSUKY-NHYWBVRUSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377285 1030021380 /nfs/dbraw/zinc/02/13/80/1030021380.db2.gz HWFGSAINXRSUKY-NHYWBVRUSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377285 1030021395 /nfs/dbraw/zinc/02/13/95/1030021395.db2.gz HWFGSAINXRSUKY-NHYWBVRUSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000290377285 1030021410 /nfs/dbraw/zinc/02/14/10/1030021410.db2.gz HWFGSAINXRSUKY-NHYWBVRUSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1csc(C(F)(F)F)c1 ZINC000924533427 1030117441 /nfs/dbraw/zinc/11/74/41/1030117441.db2.gz KJNLPDKVYZFXQH-JTQLQIEISA-N 2 2 303.353 3.704 20 0 DHADLP Cc1ncsc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000290585331 1030118599 /nfs/dbraw/zinc/11/85/99/1030118599.db2.gz UWGZQPDYJUGANB-WMZOPIPTSA-N 2 2 324.453 3.666 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924578586 1030125875 /nfs/dbraw/zinc/12/58/75/1030125875.db2.gz PKOYFIVEUCGHRZ-OAQYLSRUSA-N 2 2 323.484 3.943 20 0 DHADLP C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)c2ccco2)CC1 ZINC000924576660 1030126021 /nfs/dbraw/zinc/12/60/21/1030126021.db2.gz VWRVHYWQISTEJP-KRWDZBQOSA-N 2 2 318.848 3.901 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1coc2ccccc12 ZINC000924647030 1030149270 /nfs/dbraw/zinc/14/92/70/1030149270.db2.gz YCYPYVDOSLPIPO-CQSZACIVSA-N 2 2 309.413 3.859 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)c1 ZINC000924651447 1030153237 /nfs/dbraw/zinc/15/32/37/1030153237.db2.gz XKTVKYPQLWLGSU-DYESRHJHSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccn2)c1 ZINC000924651447 1030153242 /nfs/dbraw/zinc/15/32/42/1030153242.db2.gz XKTVKYPQLWLGSU-DYESRHJHSA-N 2 2 321.468 3.553 20 0 DHADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2cccnc2)c2cc(C)cc(C)c2)C1 ZINC000924704483 1030165785 /nfs/dbraw/zinc/16/57/85/1030165785.db2.gz FPFMSVXQMHGWPW-NQIIRXRSSA-N 2 2 323.484 3.719 20 0 DHADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccnc2)c2cc(C)cc(C)c2)C1 ZINC000924704483 1030165793 /nfs/dbraw/zinc/16/57/93/1030165793.db2.gz FPFMSVXQMHGWPW-NQIIRXRSSA-N 2 2 323.484 3.719 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)c2cccnc2)cc1 ZINC000924718532 1030170086 /nfs/dbraw/zinc/17/00/86/1030170086.db2.gz ZKAAZSMCMJKLEQ-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000866239963 1030173194 /nfs/dbraw/zinc/17/31/94/1030173194.db2.gz YBWKPFHAFCELFX-MSOLQXFVSA-N 2 2 313.445 3.584 20 0 DHADLP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000866239966 1030174268 /nfs/dbraw/zinc/17/42/68/1030174268.db2.gz YBWKPFHAFCELFX-ZWKOTPCHSA-N 2 2 313.445 3.584 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924750255 1030180476 /nfs/dbraw/zinc/18/04/76/1030180476.db2.gz DQYOEIXFSUFLQI-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)C1 ZINC000924750255 1030180482 /nfs/dbraw/zinc/18/04/82/1030180482.db2.gz DQYOEIXFSUFLQI-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)S3)C2 ZINC000924885525 1030217113 /nfs/dbraw/zinc/21/71/13/1030217113.db2.gz FZHVKSMXJYQMHQ-AVOUXACISA-N 2 2 319.518 3.512 20 0 DHADLP C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866404524 1030283056 /nfs/dbraw/zinc/28/30/56/1030283056.db2.gz SJKFAYCPSHOENW-HUUCEWRRSA-N 2 2 301.459 3.666 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)cc2)c[nH+]1 ZINC000246081560 1030284143 /nfs/dbraw/zinc/28/41/43/1030284143.db2.gz FNOXTWIXWYXGID-MSOLQXFVSA-N 2 2 313.470 3.732 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCS[C@H]4CCCC[C@H]43)cc2)c[nH+]1 ZINC000246081560 1030284155 /nfs/dbraw/zinc/28/41/55/1030284155.db2.gz FNOXTWIXWYXGID-MSOLQXFVSA-N 2 2 313.470 3.732 20 0 DHADLP Clc1ccnc2c1CC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000925219463 1030307848 /nfs/dbraw/zinc/30/78/48/1030307848.db2.gz DUKFCFVPTNFCKO-QGZVFWFLSA-N 2 2 319.880 3.719 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccns1 ZINC000925221386 1030308009 /nfs/dbraw/zinc/30/80/09/1030308009.db2.gz MOCUCKCZRWAPDZ-ZOBUZTSGSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccns1 ZINC000925221386 1030308025 /nfs/dbraw/zinc/30/80/25/1030308025.db2.gz MOCUCKCZRWAPDZ-ZOBUZTSGSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866478961 1030315956 /nfs/dbraw/zinc/31/59/56/1030315956.db2.gz NIJSDLBTGPBSRR-RHSMWYFYSA-N 2 2 301.459 3.809 20 0 DHADLP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246162567 1030345738 /nfs/dbraw/zinc/34/57/38/1030345738.db2.gz ITRNTPBONYCXMB-FGTMMUONSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246162567 1030345754 /nfs/dbraw/zinc/34/57/54/1030345754.db2.gz ITRNTPBONYCXMB-FGTMMUONSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1ccccn1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246162567 1030345771 /nfs/dbraw/zinc/34/57/71/1030345771.db2.gz ITRNTPBONYCXMB-FGTMMUONSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1ccccn1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246162567 1030345789 /nfs/dbraw/zinc/34/57/89/1030345789.db2.gz ITRNTPBONYCXMB-FGTMMUONSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000291137077 1030354523 /nfs/dbraw/zinc/35/45/23/1030354523.db2.gz XEFSQDVLBOOIDH-AWEZNQCLSA-N 2 2 314.395 3.797 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000246178757 1030359073 /nfs/dbraw/zinc/35/90/73/1030359073.db2.gz NDJHCIVWQRKLKZ-WMLDXEAASA-N 2 2 304.459 3.822 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000246178757 1030359091 /nfs/dbraw/zinc/35/90/91/1030359091.db2.gz NDJHCIVWQRKLKZ-WMLDXEAASA-N 2 2 304.459 3.822 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866561993 1030370029 /nfs/dbraw/zinc/37/00/29/1030370029.db2.gz NEFXJZGHFOKJJH-RTBURBONSA-N 2 2 308.510 3.578 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866561993 1030370048 /nfs/dbraw/zinc/37/00/48/1030370048.db2.gz NEFXJZGHFOKJJH-RTBURBONSA-N 2 2 308.510 3.578 20 0 DHADLP Clc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001171029539 1030390116 /nfs/dbraw/zinc/39/01/16/1030390116.db2.gz JKWQATXMRBJBKO-IRXDYDNUSA-N 2 2 318.892 3.661 20 0 DHADLP Clc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001171029539 1030390133 /nfs/dbraw/zinc/39/01/33/1030390133.db2.gz JKWQATXMRBJBKO-IRXDYDNUSA-N 2 2 318.892 3.661 20 0 DHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000866702329 1030429331 /nfs/dbraw/zinc/42/93/31/1030429331.db2.gz AOAVQNRXHYHHMA-QGZVFWFLSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000866702329 1030429339 /nfs/dbraw/zinc/42/93/39/1030429339.db2.gz AOAVQNRXHYHHMA-QGZVFWFLSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)c1nc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC000866708213 1030429469 /nfs/dbraw/zinc/42/94/69/1030429469.db2.gz PZUPIDBTVXJILJ-KRWDZBQOSA-N 2 2 309.523 3.638 20 0 DHADLP CC(C)(C)c1nc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC000866708213 1030429479 /nfs/dbraw/zinc/42/94/79/1030429479.db2.gz PZUPIDBTVXJILJ-KRWDZBQOSA-N 2 2 309.523 3.638 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC[N@@H+]1C ZINC000358313262 1030434267 /nfs/dbraw/zinc/43/42/67/1030434267.db2.gz COXBXEMNGHDXIJ-XPKDYRNWSA-N 2 2 306.425 3.500 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC[N@H+]1C ZINC000358313262 1030434271 /nfs/dbraw/zinc/43/42/71/1030434271.db2.gz COXBXEMNGHDXIJ-XPKDYRNWSA-N 2 2 306.425 3.500 20 0 DHADLP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](c3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000925691989 1030456474 /nfs/dbraw/zinc/45/64/74/1030456474.db2.gz YMBNUGLXMIMRID-VXXKDZQQSA-N 2 2 310.441 3.619 20 0 DHADLP C[C@H]([NH3+])[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1ccccc1 ZINC000925718351 1030462269 /nfs/dbraw/zinc/46/22/69/1030462269.db2.gz LGFPKIMBQIDRBJ-GXTWGEPZSA-N 2 2 300.368 3.787 20 0 DHADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1nsc2ccccc12)c1ccccc1 ZINC000925716376 1030462661 /nfs/dbraw/zinc/46/26/61/1030462661.db2.gz PFFPMNYYKXWKIH-ACJLOTCBSA-N 2 2 311.454 3.517 20 0 DHADLP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925765069 1030486948 /nfs/dbraw/zinc/48/69/48/1030486948.db2.gz DHAWMPIKZLGCNY-OKZBNKHCSA-N 2 2 324.424 3.643 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(Cl)n1 ZINC000925767306 1030487486 /nfs/dbraw/zinc/48/74/86/1030487486.db2.gz VGMUCUKZVRVDFZ-IAGOWNOFSA-N 2 2 315.848 3.626 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1 ZINC000925799566 1030501130 /nfs/dbraw/zinc/50/11/30/1030501130.db2.gz ZKIOHIDJFPMTAD-DLBZAZTESA-N 2 2 322.880 3.539 20 0 DHADLP CC[C@@H]1CC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000558255171 1030501319 /nfs/dbraw/zinc/50/13/19/1030501319.db2.gz KQISALMAKNQDPE-WPPJOMGTSA-N 2 2 304.400 3.570 20 0 DHADLP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171055587 1030553607 /nfs/dbraw/zinc/55/36/07/1030553607.db2.gz IDZWGNGILZEWLU-MRXNPFEDSA-N 2 2 306.881 3.613 20 0 DHADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171055587 1030553613 /nfs/dbraw/zinc/55/36/13/1030553613.db2.gz IDZWGNGILZEWLU-MRXNPFEDSA-N 2 2 306.881 3.613 20 0 DHADLP Cc1ccccc1C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000926228778 1030666601 /nfs/dbraw/zinc/66/66/01/1030666601.db2.gz IYQFSCZHXBQRCT-QZTJIDSGSA-N 2 2 321.424 3.673 20 0 DHADLP C[C@]1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1(Cl)Cl ZINC000824964384 1030670818 /nfs/dbraw/zinc/67/08/18/1030670818.db2.gz VMCVZXCMSZDBRE-HNNXBMFYSA-N 2 2 324.255 3.936 20 0 DHADLP C[C@@H]1CC[C@@H](C)C1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926330030 1030700583 /nfs/dbraw/zinc/70/05/83/1030700583.db2.gz JQDPSVGNTKMBQK-HGWMRPEMSA-N 2 2 318.427 3.816 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000247942463 1030710515 /nfs/dbraw/zinc/71/05/15/1030710515.db2.gz GLVPPKOQZFKUMV-LVCYWYKZSA-N 2 2 323.484 3.685 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000247942463 1030710525 /nfs/dbraw/zinc/71/05/25/1030710525.db2.gz GLVPPKOQZFKUMV-LVCYWYKZSA-N 2 2 323.484 3.685 20 0 DHADLP CCc1ccc([C@H]([NH2+]C[C@H](C)C[NH+](C)C)c2cccnc2)cc1 ZINC000926468621 1030750708 /nfs/dbraw/zinc/75/07/08/1030750708.db2.gz BYTDAKZPVZFZNS-JXFKEZNVSA-N 2 2 311.473 3.521 20 0 DHADLP FCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737884 1030759431 /nfs/dbraw/zinc/75/94/31/1030759431.db2.gz MGJIXKFXBRWWBW-VQTJNVASSA-N 2 2 312.432 3.604 20 0 DHADLP FCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737884 1030759444 /nfs/dbraw/zinc/75/94/44/1030759444.db2.gz MGJIXKFXBRWWBW-VQTJNVASSA-N 2 2 312.432 3.604 20 0 DHADLP C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359085314 1030770866 /nfs/dbraw/zinc/77/08/66/1030770866.db2.gz SHCGMIYKGLQSPJ-RDJZCZTQSA-N 2 2 315.461 3.710 20 0 DHADLP Cc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc(C)c1O ZINC000359106718 1030782514 /nfs/dbraw/zinc/78/25/14/1030782514.db2.gz YWHMBMDTGZMDAE-UHFFFAOYSA-N 2 2 321.424 3.544 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000558788503 1030805115 /nfs/dbraw/zinc/80/51/15/1030805115.db2.gz NMAIMWPYCJSKLU-JTNHKYCSSA-N 2 2 301.261 3.812 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000558788503 1030805141 /nfs/dbraw/zinc/80/51/41/1030805141.db2.gz NMAIMWPYCJSKLU-JTNHKYCSSA-N 2 2 301.261 3.812 20 0 DHADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000926953394 1031014890 /nfs/dbraw/zinc/01/48/90/1031014890.db2.gz CBGXYPCISDRAIC-AZUAARDMSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000926953394 1031014909 /nfs/dbraw/zinc/01/49/09/1031014909.db2.gz CBGXYPCISDRAIC-AZUAARDMSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1cnc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c(C)c1 ZINC000926955185 1031017183 /nfs/dbraw/zinc/01/71/83/1031017183.db2.gz QABKUPRPVJSTJB-DNVCBOLYSA-N 2 2 315.505 3.831 20 0 DHADLP C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927032327 1031042592 /nfs/dbraw/zinc/04/25/92/1031042592.db2.gz ZPYGFURGFWZTNI-YCPHGPKFSA-N 2 2 301.459 3.807 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)CCC2 ZINC000359639875 1031075052 /nfs/dbraw/zinc/07/50/52/1031075052.db2.gz TYGAPPJWZATQMH-AAEUAGOBSA-N 2 2 303.372 3.780 20 0 DHADLP CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000927138834 1031114531 /nfs/dbraw/zinc/11/45/31/1031114531.db2.gz HPBXPDODOIWLHH-CYBMUJFWSA-N 2 2 324.428 3.890 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)C2 ZINC001171134907 1031220406 /nfs/dbraw/zinc/22/04/06/1031220406.db2.gz HPCTYTDWCNMILB-NVXWUHKLSA-N 2 2 315.848 3.734 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139239 1031241345 /nfs/dbraw/zinc/24/13/45/1031241345.db2.gz KCONQPOVLIUVKE-KBPBESRZSA-N 2 2 313.272 3.535 20 0 DHADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171139239 1031241356 /nfs/dbraw/zinc/24/13/56/1031241356.db2.gz KCONQPOVLIUVKE-KBPBESRZSA-N 2 2 313.272 3.535 20 0 DHADLP Clc1ccc(-c2nc(C[NH2+][C@@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000666855538 1031411023 /nfs/dbraw/zinc/41/10/23/1031411023.db2.gz YTLGQVPJRYAMHK-CQSZACIVSA-N 2 2 321.877 3.695 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCCOC1 ZINC000872033509 1031416499 /nfs/dbraw/zinc/41/64/99/1031416499.db2.gz DDYFITUREPXLGD-WDSOQIARSA-N 2 2 318.505 3.911 20 0 DHADLP CC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000872088266 1031485259 /nfs/dbraw/zinc/48/52/59/1031485259.db2.gz NKOJTZKDHSTKOK-IEBWSBKVSA-N 2 2 308.510 3.578 20 0 DHADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144414732 1031552253 /nfs/dbraw/zinc/55/22/53/1031552253.db2.gz QPPNSVIKWKMMOD-UHFFFAOYSA-N 2 2 320.868 3.523 20 0 DHADLP COCCCCc1ccc[nH+]c1NC1CC[NH+](C(C)(C)C)CC1 ZINC000361020877 1031680382 /nfs/dbraw/zinc/68/03/82/1031680382.db2.gz BEZHJSGGVRHPIL-UHFFFAOYSA-N 2 2 319.493 3.726 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296659 1031791668 /nfs/dbraw/zinc/79/16/68/1031791668.db2.gz KTSLWTRJEHUUEZ-WKPIXPDZSA-N 2 2 321.346 3.896 20 0 DHADLP CC1(C)C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCS1 ZINC000897795463 1031836096 /nfs/dbraw/zinc/83/60/96/1031836096.db2.gz QGWIKKWOWNXQLM-LBPRGKRZSA-N 2 2 307.488 3.698 20 0 DHADLP CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000361481185 1031945682 /nfs/dbraw/zinc/94/56/82/1031945682.db2.gz KFRCSGPXUMZBNG-HNNXBMFYSA-N 2 2 309.417 3.501 20 0 DHADLP CCCOc1ccc(C(C)(C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000361566458 1031991869 /nfs/dbraw/zinc/99/18/69/1031991869.db2.gz QMTZECIFGVXQME-UHFFFAOYSA-N 2 2 301.434 3.587 20 0 DHADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[C@@H](C)C1 ZINC000361638439 1032025973 /nfs/dbraw/zinc/02/59/73/1032025973.db2.gz LXSKPYMHCVXOIF-APWZRJJASA-N 2 2 313.445 3.509 20 0 DHADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[C@@H](C)C1 ZINC000361638439 1032025994 /nfs/dbraw/zinc/02/59/94/1032025994.db2.gz LXSKPYMHCVXOIF-APWZRJJASA-N 2 2 313.445 3.509 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000361667062 1032045679 /nfs/dbraw/zinc/04/56/79/1032045679.db2.gz LHZHRDXRJATVPM-OAHLLOKOSA-N 2 2 318.852 3.720 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000361667062 1032045690 /nfs/dbraw/zinc/04/56/90/1032045690.db2.gz LHZHRDXRJATVPM-OAHLLOKOSA-N 2 2 318.852 3.720 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1Cl ZINC000044535423 1032055020 /nfs/dbraw/zinc/05/50/20/1032055020.db2.gz DQPBPMJBEDEFKJ-RYUDHWBXSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1Cl ZINC000044535423 1032055031 /nfs/dbraw/zinc/05/50/31/1032055031.db2.gz DQPBPMJBEDEFKJ-RYUDHWBXSA-N 2 2 301.261 3.986 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172659959 1033310671 /nfs/dbraw/zinc/31/06/71/1033310671.db2.gz CQZVOOHLALXSTQ-MRXNPFEDSA-N 2 2 318.461 3.579 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2CC(C)(C)OC(C)(C)C2)C1 ZINC001172659959 1033310686 /nfs/dbraw/zinc/31/06/86/1033310686.db2.gz CQZVOOHLALXSTQ-MRXNPFEDSA-N 2 2 318.461 3.579 20 0 DHADLP CCC1([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCC1 ZINC000777136238 1033313618 /nfs/dbraw/zinc/31/36/18/1033313618.db2.gz DCFCJBXDLUCWTD-UHFFFAOYSA-N 2 2 301.478 3.644 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001172824802 1033386589 /nfs/dbraw/zinc/38/65/89/1033386589.db2.gz AWGLVLYDSZLRSM-FQEVSTJZSA-N 2 2 317.436 3.828 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([N@H+](C(C)C)C1CC[NH+](C)CC1)CC2 ZINC001172840144 1033410208 /nfs/dbraw/zinc/41/02/08/1033410208.db2.gz XGUZCOULSNBHDG-HXUWFJFHSA-N 2 2 300.490 3.657 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([N@@H+](C(C)C)C1CC[NH+](C)CC1)CC2 ZINC001172840144 1033410214 /nfs/dbraw/zinc/41/02/14/1033410214.db2.gz XGUZCOULSNBHDG-HXUWFJFHSA-N 2 2 300.490 3.657 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c2ccccc12 ZINC000151121769 1033419618 /nfs/dbraw/zinc/41/96/18/1033419618.db2.gz CVBXNIZFDHJQKH-OAHLLOKOSA-N 2 2 309.413 3.786 20 0 DHADLP C[NH+]1CCC(c2ccc(Nc3cccn4cc[nH+]c34)cc2)CC1 ZINC001212687758 1033439675 /nfs/dbraw/zinc/43/96/75/1033439675.db2.gz JYYQOPSKHUIUNQ-UHFFFAOYSA-N 2 2 306.413 3.887 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC001172870069 1033440861 /nfs/dbraw/zinc/44/08/61/1033440861.db2.gz HZINYVMOTXHZPF-CYBMUJFWSA-N 2 2 309.866 3.697 20 0 DHADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000877794066 1033451815 /nfs/dbraw/zinc/45/18/15/1033451815.db2.gz FFMJTONOXKFYGY-UHFFFAOYSA-N 2 2 313.445 3.668 20 0 DHADLP Cc1csc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000877814387 1033466997 /nfs/dbraw/zinc/46/69/97/1033466997.db2.gz XSLMYOAYUWNQBL-INIZCTEOSA-N 2 2 324.453 3.627 20 0 DHADLP Cc1csc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000877814387 1033466999 /nfs/dbraw/zinc/46/69/99/1033466999.db2.gz XSLMYOAYUWNQBL-INIZCTEOSA-N 2 2 324.453 3.627 20 0 DHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC[C@@H]1F ZINC001206189572 1033524199 /nfs/dbraw/zinc/52/41/99/1033524199.db2.gz XLCKYNJBJQQYDB-STQMWFEESA-N 2 2 324.749 3.620 20 0 DHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC[C@@H]1F ZINC001206189572 1033524202 /nfs/dbraw/zinc/52/42/02/1033524202.db2.gz XLCKYNJBJQQYDB-STQMWFEESA-N 2 2 324.749 3.620 20 0 DHADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CC[C@H](c4ccccc4)O3)CC2)[nH]1 ZINC000878172730 1033610693 /nfs/dbraw/zinc/61/06/93/1033610693.db2.gz LNVDJPKDBUZEGY-ZWKOTPCHSA-N 2 2 311.429 3.509 20 0 DHADLP FC1(F)CCC[C@@H]1CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000878321061 1033658117 /nfs/dbraw/zinc/65/81/17/1033658117.db2.gz LWBTUBBCCVFWIK-CQSZACIVSA-N 2 2 309.404 3.783 20 0 DHADLP CC[C@@H]1CC[C@@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001173278722 1033668710 /nfs/dbraw/zinc/66/87/10/1033668710.db2.gz MOPJIMPYLSYHFS-BRWVUGGUSA-N 2 2 318.509 3.679 20 0 DHADLP CC[C@@H]1CC[C@@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001173278722 1033668716 /nfs/dbraw/zinc/66/87/16/1033668716.db2.gz MOPJIMPYLSYHFS-BRWVUGGUSA-N 2 2 318.509 3.679 20 0 DHADLP CC[C@@H]1CC[C@@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001173278722 1033668720 /nfs/dbraw/zinc/66/87/20/1033668720.db2.gz MOPJIMPYLSYHFS-BRWVUGGUSA-N 2 2 318.509 3.679 20 0 DHADLP CC[C@@H]1CC[C@@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001173278722 1033668726 /nfs/dbraw/zinc/66/87/26/1033668726.db2.gz MOPJIMPYLSYHFS-BRWVUGGUSA-N 2 2 318.509 3.679 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878523106 1033734933 /nfs/dbraw/zinc/73/49/33/1033734933.db2.gz XHLRWHZIQFHQLE-KRWDZBQOSA-N 2 2 318.461 3.581 20 0 DHADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000667533219 1033846751 /nfs/dbraw/zinc/84/67/51/1033846751.db2.gz KJKOBEYVVBMGOM-QGZVFWFLSA-N 2 2 313.445 3.887 20 0 DHADLP CCCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000667533219 1033846762 /nfs/dbraw/zinc/84/67/62/1033846762.db2.gz KJKOBEYVVBMGOM-QGZVFWFLSA-N 2 2 313.445 3.887 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000174210017 1033911473 /nfs/dbraw/zinc/91/14/73/1033911473.db2.gz AEMXMWMCRWNVFE-INIZCTEOSA-N 2 2 322.518 3.581 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000174210017 1033911479 /nfs/dbraw/zinc/91/14/79/1033911479.db2.gz AEMXMWMCRWNVFE-INIZCTEOSA-N 2 2 322.518 3.581 20 0 DHADLP CCCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000667564343 1033918148 /nfs/dbraw/zinc/91/81/48/1033918148.db2.gz JNKCYJPMDPANPC-UHFFFAOYSA-N 2 2 313.445 3.887 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CC[C@@H]3C3CC3)C2)CC1 ZINC000554091752 1033952549 /nfs/dbraw/zinc/95/25/49/1033952549.db2.gz JFIYZVUFDOVDRQ-FJBKBRRZSA-N 2 2 316.411 3.570 20 0 DHADLP COc1ccccc1[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000879731765 1034101189 /nfs/dbraw/zinc/10/11/89/1034101189.db2.gz OGNMXVXCCQANKT-KRWDZBQOSA-N 2 2 313.445 3.552 20 0 DHADLP COc1ccccc1[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000879731765 1034101192 /nfs/dbraw/zinc/10/11/92/1034101192.db2.gz OGNMXVXCCQANKT-KRWDZBQOSA-N 2 2 313.445 3.552 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000176915104 1034120383 /nfs/dbraw/zinc/12/03/83/1034120383.db2.gz AOHMUHAPCJPVBQ-FXAWDEMLSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000176915104 1034120388 /nfs/dbraw/zinc/12/03/88/1034120388.db2.gz AOHMUHAPCJPVBQ-FXAWDEMLSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000176915104 1034120393 /nfs/dbraw/zinc/12/03/93/1034120393.db2.gz AOHMUHAPCJPVBQ-FXAWDEMLSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000176915104 1034120399 /nfs/dbraw/zinc/12/03/99/1034120399.db2.gz AOHMUHAPCJPVBQ-FXAWDEMLSA-N 2 2 309.457 3.567 20 0 DHADLP c1cn(Cc2cccc(-c3ccc(C[C@H]4CCC[NH2+]4)cc3)c2)c[nH+]1 ZINC000863690004 1034176669 /nfs/dbraw/zinc/17/66/69/1034176669.db2.gz IIJOJDOAOSWAKC-OAQYLSRUSA-N 2 2 317.436 3.893 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000880255543 1034266989 /nfs/dbraw/zinc/26/69/89/1034266989.db2.gz OUSWWBUNKLGHDB-QGZVFWFLSA-N 2 2 301.478 3.873 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000480607485 1034349937 /nfs/dbraw/zinc/34/99/37/1034349937.db2.gz GIBKJHWRMTUYMN-NUEKZKHPSA-N 2 2 324.415 3.874 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000480607485 1034349952 /nfs/dbraw/zinc/34/99/52/1034349952.db2.gz GIBKJHWRMTUYMN-NUEKZKHPSA-N 2 2 324.415 3.874 20 0 DHADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000480762353 1034439762 /nfs/dbraw/zinc/43/97/62/1034439762.db2.gz DQLKVAKIFFWQBY-MRXNPFEDSA-N 2 2 316.445 3.566 20 0 DHADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000480762353 1034439767 /nfs/dbraw/zinc/43/97/67/1034439767.db2.gz DQLKVAKIFFWQBY-MRXNPFEDSA-N 2 2 316.445 3.566 20 0 DHADLP CCC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccnc1 ZINC000185125130 1034529136 /nfs/dbraw/zinc/52/91/36/1034529136.db2.gz JLNOGLXJBVOBAJ-SFHVURJKSA-N 2 2 306.413 3.898 20 0 DHADLP Fc1cccc2cc(C[NH2+]CCCCNc3cccc[nH+]3)cnc12 ZINC000865445641 1034651324 /nfs/dbraw/zinc/65/13/24/1034651324.db2.gz KFFCTVLOPFWJAG-UHFFFAOYSA-N 2 2 324.403 3.751 20 0 DHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000773470313 1034864305 /nfs/dbraw/zinc/86/43/05/1034864305.db2.gz ONRSKAWZDDELBD-CQSZACIVSA-N 2 2 315.288 3.680 20 0 DHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000773470313 1034864310 /nfs/dbraw/zinc/86/43/10/1034864310.db2.gz ONRSKAWZDDELBD-CQSZACIVSA-N 2 2 315.288 3.680 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[NH+]1CCCCC1 ZINC000481912247 1035032996 /nfs/dbraw/zinc/03/29/96/1035032996.db2.gz JTXBMGVYYHDCFE-CQSZACIVSA-N 2 2 314.395 3.712 20 0 DHADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000481925852 1035036227 /nfs/dbraw/zinc/03/62/27/1035036227.db2.gz MZNZLSDCGOIQRX-CYBMUJFWSA-N 2 2 302.384 3.566 20 0 DHADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000481925852 1035036233 /nfs/dbraw/zinc/03/62/33/1035036233.db2.gz MZNZLSDCGOIQRX-CYBMUJFWSA-N 2 2 302.384 3.566 20 0 DHADLP CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000251761997 1035282249 /nfs/dbraw/zinc/28/22/49/1035282249.db2.gz LYVQMTWINCEWJS-JMSVASOKSA-N 2 2 311.267 3.569 20 0 DHADLP CC[C@@H]1C[N@H+]([C@H](C)c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000251761997 1035282252 /nfs/dbraw/zinc/28/22/52/1035282252.db2.gz LYVQMTWINCEWJS-JMSVASOKSA-N 2 2 311.267 3.569 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000191839518 1035287536 /nfs/dbraw/zinc/28/75/36/1035287536.db2.gz KWTDDKLHBTYYJN-GHTZIAJQSA-N 2 2 324.468 3.628 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000191839518 1035287540 /nfs/dbraw/zinc/28/75/40/1035287540.db2.gz KWTDDKLHBTYYJN-GHTZIAJQSA-N 2 2 324.468 3.628 20 0 DHADLP Cc1ccc2c(Nc3cnn(CC[NH+]4CCCC4)c3)cccc2[nH+]1 ZINC001176559955 1035295905 /nfs/dbraw/zinc/29/59/05/1035295905.db2.gz ACPAUJXTZKYWEM-UHFFFAOYSA-N 2 2 321.428 3.579 20 0 DHADLP COC[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000484142317 1035319945 /nfs/dbraw/zinc/31/99/45/1035319945.db2.gz ZJURRJMOEQQARS-VQIMIIECSA-N 2 2 316.489 3.665 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC001177425387 1035366993 /nfs/dbraw/zinc/36/69/93/1035366993.db2.gz UYGQCNWAKWICMV-KRWDZBQOSA-N 2 2 315.392 3.973 20 0 DHADLP c1cn(-c2ccc(C[NH2+]Cc3cccc4ccoc43)cc2)c[nH+]1 ZINC001177566185 1035381307 /nfs/dbraw/zinc/38/13/07/1035381307.db2.gz PVNFHTNHDAJZQP-UHFFFAOYSA-N 2 2 303.365 3.908 20 0 DHADLP Clc1ncccc1[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168369153 1035382465 /nfs/dbraw/zinc/38/24/65/1035382465.db2.gz YBCDGVMPIIFRHY-KRWDZBQOSA-N 2 2 319.880 3.650 20 0 DHADLP FC(F)(F)Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC001177938334 1035401810 /nfs/dbraw/zinc/40/18/10/1035401810.db2.gz QJOOSPNGJOXGJD-UHFFFAOYSA-N 2 2 323.362 3.778 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001178581273 1035435129 /nfs/dbraw/zinc/43/51/29/1035435129.db2.gz IIKAJADMANXBTO-KRWDZBQOSA-N 2 2 318.505 3.728 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001178581273 1035435132 /nfs/dbraw/zinc/43/51/32/1035435132.db2.gz IIKAJADMANXBTO-KRWDZBQOSA-N 2 2 318.505 3.728 20 0 DHADLP C[C@H]1Cc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)ccc2O1 ZINC001179169331 1035467895 /nfs/dbraw/zinc/46/78/95/1035467895.db2.gz XVYMLKSGUKCOQL-HNAYVOBHSA-N 2 2 314.473 3.507 20 0 DHADLP C[C@H]1Cc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)ccc2O1 ZINC001179169331 1035467898 /nfs/dbraw/zinc/46/78/98/1035467898.db2.gz XVYMLKSGUKCOQL-HNAYVOBHSA-N 2 2 314.473 3.507 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000668431853 1035473761 /nfs/dbraw/zinc/47/37/61/1035473761.db2.gz FULNLIZWWOZDEI-QWFMPGPPSA-N 2 2 308.416 3.673 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000668431853 1035473764 /nfs/dbraw/zinc/47/37/64/1035473764.db2.gz FULNLIZWWOZDEI-QWFMPGPPSA-N 2 2 308.416 3.673 20 0 DHADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(Cl)c3Cl)[C@@H]2C1 ZINC001179814943 1035507682 /nfs/dbraw/zinc/50/76/82/1035507682.db2.gz BYMPTILYEBATHN-DMDPSCGWSA-N 2 2 317.235 3.562 20 0 DHADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(F)c(Cl)c3Cl)[C@@H]2C1 ZINC001179814943 1035507685 /nfs/dbraw/zinc/50/76/85/1035507685.db2.gz BYMPTILYEBATHN-DMDPSCGWSA-N 2 2 317.235 3.562 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000668459791 1035524215 /nfs/dbraw/zinc/52/42/15/1035524215.db2.gz YUPSSDCYPGEVGH-PWZRNIHTSA-N 2 2 308.416 3.673 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000668459791 1035524230 /nfs/dbraw/zinc/52/42/30/1035524230.db2.gz YUPSSDCYPGEVGH-PWZRNIHTSA-N 2 2 308.416 3.673 20 0 DHADLP CCSCCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001181135748 1035851095 /nfs/dbraw/zinc/85/10/95/1035851095.db2.gz VHXXZEWYAWMEQC-AEFFLSMTSA-N 2 2 306.519 3.630 20 0 DHADLP CCSCCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001181135748 1035851116 /nfs/dbraw/zinc/85/11/16/1035851116.db2.gz VHXXZEWYAWMEQC-AEFFLSMTSA-N 2 2 306.519 3.630 20 0 DHADLP C(CC1CCCCC1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001194279603 1035883387 /nfs/dbraw/zinc/88/33/87/1035883387.db2.gz KOJMLLSMFQPRLV-LJQANCHMSA-N 2 2 308.510 3.534 20 0 DHADLP C(CC1CCCCC1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001194279603 1035883408 /nfs/dbraw/zinc/88/34/08/1035883408.db2.gz KOJMLLSMFQPRLV-LJQANCHMSA-N 2 2 308.510 3.534 20 0 DHADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC001195054227 1036116671 /nfs/dbraw/zinc/11/66/71/1036116671.db2.gz BHBJAXHRMASONQ-VVLHAWIVSA-N 2 2 310.526 3.536 20 0 DHADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC001195054227 1036116679 /nfs/dbraw/zinc/11/66/79/1036116679.db2.gz BHBJAXHRMASONQ-VVLHAWIVSA-N 2 2 310.526 3.536 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000250374019 1036270261 /nfs/dbraw/zinc/27/02/61/1036270261.db2.gz WDXSCMXDMFWRDR-DOMZBBRYSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000250374019 1036270274 /nfs/dbraw/zinc/27/02/74/1036270274.db2.gz WDXSCMXDMFWRDR-DOMZBBRYSA-N 2 2 300.368 3.840 20 0 DHADLP [NH3+][C@H]1CCC[N@H+](Cc2csc(-c3cccc(Cl)c3)n2)CC1 ZINC001205124576 1036383222 /nfs/dbraw/zinc/38/32/22/1036383222.db2.gz VTFJUKNTTYPEDX-AWEZNQCLSA-N 2 2 321.877 3.777 20 0 DHADLP [NH3+][C@H]1CCC[N@@H+](Cc2csc(-c3cccc(Cl)c3)n2)CC1 ZINC001205124576 1036383241 /nfs/dbraw/zinc/38/32/41/1036383241.db2.gz VTFJUKNTTYPEDX-AWEZNQCLSA-N 2 2 321.877 3.777 20 0 DHADLP COc1ccc2c(NCCCNc3cccc[nH+]3)cc[nH+]c2c1 ZINC000774514108 1036383363 /nfs/dbraw/zinc/38/33/63/1036383363.db2.gz LBBNJCREBIJHPU-UHFFFAOYSA-N 2 2 308.385 3.553 20 0 DHADLP C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001182873358 1036469470 /nfs/dbraw/zinc/46/94/70/1036469470.db2.gz JTJJVMJZYANFEB-OALUTQOASA-N 2 2 318.505 3.692 20 0 DHADLP CCC1(CC)[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C[C@H]1OC ZINC001182918043 1036483408 /nfs/dbraw/zinc/48/34/08/1036483408.db2.gz IESWMGKPUHMINR-KZNAEPCWSA-N 2 2 308.510 3.577 20 0 DHADLP CCC1(CC)[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C[C@H]1OC ZINC001182918043 1036483423 /nfs/dbraw/zinc/48/34/23/1036483423.db2.gz IESWMGKPUHMINR-KZNAEPCWSA-N 2 2 308.510 3.577 20 0 DHADLP Clc1csc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000486987906 1036500307 /nfs/dbraw/zinc/50/03/07/1036500307.db2.gz HIDZUIHIFPJMFR-UHFFFAOYSA-N 2 2 320.889 3.940 20 0 DHADLP Clc1csc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000486987906 1036500316 /nfs/dbraw/zinc/50/03/16/1036500316.db2.gz HIDZUIHIFPJMFR-UHFFFAOYSA-N 2 2 320.889 3.940 20 0 DHADLP C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC001183527406 1036605815 /nfs/dbraw/zinc/60/58/15/1036605815.db2.gz WDOULJFWGRDNMP-KPFFTGBYSA-N 2 2 313.489 3.962 20 0 DHADLP C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC001183527406 1036605825 /nfs/dbraw/zinc/60/58/25/1036605825.db2.gz WDOULJFWGRDNMP-KPFFTGBYSA-N 2 2 313.489 3.962 20 0 DHADLP C[C@@]1(C[NH2+]C/C=C/c2ccncc2)CCC[N@@H+]1Cc1ccccc1 ZINC000487548556 1036679448 /nfs/dbraw/zinc/67/94/48/1036679448.db2.gz DLICMMUOLQUHHR-OWLMGLOSSA-N 2 2 321.468 3.739 20 0 DHADLP C[C@@]1(C[NH2+]C/C=C/c2ccncc2)CCC[N@H+]1Cc1ccccc1 ZINC000487548556 1036679453 /nfs/dbraw/zinc/67/94/53/1036679453.db2.gz DLICMMUOLQUHHR-OWLMGLOSSA-N 2 2 321.468 3.739 20 0 DHADLP C[C@@H](c1nccc2ccccc21)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001184364892 1036833939 /nfs/dbraw/zinc/83/39/39/1036833939.db2.gz YWSXTXXQJQMMLE-HNNXBMFYSA-N 2 2 320.440 3.909 20 0 DHADLP CC[C@@H](C)[C@@H](C)[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140163 1036951809 /nfs/dbraw/zinc/95/18/09/1036951809.db2.gz CUAKJAIZCXPTCC-RTBURBONSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@@H](C)[C@@H](C)[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001198140163 1036951824 /nfs/dbraw/zinc/95/18/24/1036951824.db2.gz CUAKJAIZCXPTCC-RTBURBONSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@@H](C)[C@@H](C)[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001198140163 1036951840 /nfs/dbraw/zinc/95/18/40/1036951840.db2.gz CUAKJAIZCXPTCC-RTBURBONSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@@H](C)[C@@H](C)[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001198140163 1036951852 /nfs/dbraw/zinc/95/18/52/1036951852.db2.gz CUAKJAIZCXPTCC-RTBURBONSA-N 2 2 318.505 3.646 20 0 DHADLP CC(C)C1CC([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000488446306 1037028906 /nfs/dbraw/zinc/02/89/06/1037028906.db2.gz GYCSYHKYSVYDDX-DMKPSLHHSA-N 2 2 301.478 3.631 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1C(F)(F)F ZINC000315788618 1037056408 /nfs/dbraw/zinc/05/64/08/1037056408.db2.gz YGEQOERPFNTWBY-MAZHCROVSA-N 2 2 312.379 3.983 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1C(F)(F)F ZINC000315788618 1037056429 /nfs/dbraw/zinc/05/64/29/1037056429.db2.gz YGEQOERPFNTWBY-MAZHCROVSA-N 2 2 312.379 3.983 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCCCCCCO)C1 ZINC001198790934 1037122946 /nfs/dbraw/zinc/12/29/46/1037122946.db2.gz QDENGKVZKIZMGG-QGZVFWFLSA-N 2 2 321.509 3.760 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCCCCCCO)C1 ZINC001198790934 1037122956 /nfs/dbraw/zinc/12/29/56/1037122956.db2.gz QDENGKVZKIZMGG-QGZVFWFLSA-N 2 2 321.509 3.760 20 0 DHADLP C[C@H](Nc1[nH]c2ccccc2[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310532969 1037241892 /nfs/dbraw/zinc/24/18/92/1037241892.db2.gz QJPCWOGVMDLXMQ-DOTOQJQBSA-N 2 2 320.440 3.885 20 0 DHADLP C[C@H](Nc1[nH]c2ccccc2[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310532969 1037241899 /nfs/dbraw/zinc/24/18/99/1037241899.db2.gz QJPCWOGVMDLXMQ-DOTOQJQBSA-N 2 2 320.440 3.885 20 0 DHADLP CC(C)C(C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC001199391624 1037248779 /nfs/dbraw/zinc/24/87/79/1037248779.db2.gz GPFUMLMSIFWQQY-UHFFFAOYSA-N 2 2 318.505 3.537 20 0 DHADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397335384 1037284991 /nfs/dbraw/zinc/28/49/91/1037284991.db2.gz BGYGJCZXQKPFOU-DYEKYZERSA-N 2 2 319.474 3.517 20 0 DHADLP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397335384 1037285010 /nfs/dbraw/zinc/28/50/10/1037285010.db2.gz BGYGJCZXQKPFOU-DYEKYZERSA-N 2 2 319.474 3.517 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2cnccc2c1 ZINC000324190728 1037416044 /nfs/dbraw/zinc/41/60/44/1037416044.db2.gz OMVASKWAFJFNJT-GOSISDBHSA-N 2 2 308.429 3.636 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+]Cc2ccc(C(C)(C)C)cc2)CCSC1 ZINC001200871674 1037453110 /nfs/dbraw/zinc/45/31/10/1037453110.db2.gz AIZZTBOGILZNAP-SFHVURJKSA-N 2 2 306.519 3.511 20 0 DHADLP CC1(C)CC2(CO1)CCC([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC001200901926 1037471359 /nfs/dbraw/zinc/47/13/59/1037471359.db2.gz NQTBZFUTHJVUJV-UHFFFAOYSA-N 2 2 317.477 3.601 20 0 DHADLP CCOCCC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC001200988583 1037498380 /nfs/dbraw/zinc/49/83/80/1037498380.db2.gz CWECUWWHJIBFLF-UHFFFAOYSA-N 2 2 319.474 3.620 20 0 DHADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000493889395 1037583888 /nfs/dbraw/zinc/58/38/88/1037583888.db2.gz VBGDYDYPWVHWBS-OXQOHEQNSA-N 2 2 321.424 3.738 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000398052571 1037586041 /nfs/dbraw/zinc/58/60/41/1037586041.db2.gz YICNTWWSKHPGEV-LAUBAEHRSA-N 2 2 323.484 3.644 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000398052571 1037586054 /nfs/dbraw/zinc/58/60/54/1037586054.db2.gz YICNTWWSKHPGEV-LAUBAEHRSA-N 2 2 323.484 3.644 20 0 DHADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000493898393 1037593832 /nfs/dbraw/zinc/59/38/32/1037593832.db2.gz WFNQGMXQUGCNGH-UZLBHIALSA-N 2 2 321.424 3.738 20 0 DHADLP CC1=CC(=O)C[NH+]=C1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201470767 1037732782 /nfs/dbraw/zinc/73/27/82/1037732782.db2.gz WGPKBUUTOSXAMV-MSOLQXFVSA-N 2 2 321.424 3.828 20 0 DHADLP CC1=CC(=O)C[NH+]=C1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201470767 1037732803 /nfs/dbraw/zinc/73/28/03/1037732803.db2.gz WGPKBUUTOSXAMV-MSOLQXFVSA-N 2 2 321.424 3.828 20 0 DHADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](CCC(C)C)CC3)cs1 ZINC001201614336 1037809781 /nfs/dbraw/zinc/80/97/81/1037809781.db2.gz JKCZUYGKAXNNHB-UHFFFAOYSA-N 2 2 321.534 3.928 20 0 DHADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](CCC(C)C)CC3)cs1 ZINC001201614336 1037809800 /nfs/dbraw/zinc/80/98/00/1037809800.db2.gz JKCZUYGKAXNNHB-UHFFFAOYSA-N 2 2 321.534 3.928 20 0 DHADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC001205926118 1037843173 /nfs/dbraw/zinc/84/31/73/1037843173.db2.gz QQNUDBNZPNJPPV-RCCFBDPRSA-N 2 2 310.526 3.679 20 0 DHADLP CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201751014 1037874784 /nfs/dbraw/zinc/87/47/84/1037874784.db2.gz RKJNSQDNMVEBGC-JKSUJKDBSA-N 2 2 307.507 3.620 20 0 DHADLP CCCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001201751014 1037874797 /nfs/dbraw/zinc/87/47/97/1037874797.db2.gz RKJNSQDNMVEBGC-JKSUJKDBSA-N 2 2 307.507 3.620 20 0 DHADLP CCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001201751014 1037874805 /nfs/dbraw/zinc/87/48/05/1037874805.db2.gz RKJNSQDNMVEBGC-JKSUJKDBSA-N 2 2 307.507 3.620 20 0 DHADLP CCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001201751014 1037874810 /nfs/dbraw/zinc/87/48/10/1037874810.db2.gz RKJNSQDNMVEBGC-JKSUJKDBSA-N 2 2 307.507 3.620 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3ccccc3)CC2)cc1 ZINC000153041840 1038079624 /nfs/dbraw/zinc/07/96/24/1038079624.db2.gz WTAZUTOFBFTJAI-UHFFFAOYSA-N 2 2 323.484 3.554 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC001202176066 1038085357 /nfs/dbraw/zinc/08/53/57/1038085357.db2.gz KBKXJRDTXHKFAV-KRWDZBQOSA-N 2 2 308.510 3.580 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCOC3(CCCCC3)C2)C1 ZINC001202176066 1038085368 /nfs/dbraw/zinc/08/53/68/1038085368.db2.gz KBKXJRDTXHKFAV-KRWDZBQOSA-N 2 2 308.510 3.580 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccc(-c3ccccc3)s1)CC2 ZINC000494407898 1038088197 /nfs/dbraw/zinc/08/81/97/1038088197.db2.gz BCAFVZSLVVSINV-OAHLLOKOSA-N 2 2 309.438 3.716 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCC[C@@H](c3ccccc3)C1)CC2 ZINC000494432600 1038094766 /nfs/dbraw/zinc/09/47/66/1038094766.db2.gz CCVMUSCOGFRWCY-GUDVDZBRSA-N 2 2 309.457 3.904 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000127397961 1038178714 /nfs/dbraw/zinc/17/87/14/1038178714.db2.gz FRWWOYWTMVHEKQ-UHFFFAOYSA-N 2 2 324.255 3.947 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000127397961 1038178721 /nfs/dbraw/zinc/17/87/21/1038178721.db2.gz FRWWOYWTMVHEKQ-UHFFFAOYSA-N 2 2 324.255 3.947 20 0 DHADLP C[C@@]1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1(Cl)Cl ZINC000828557047 1038252956 /nfs/dbraw/zinc/25/29/56/1038252956.db2.gz XUPNSMNPNPYCED-AWEZNQCLSA-N 2 2 314.260 3.542 20 0 DHADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000572195440 1038350409 /nfs/dbraw/zinc/35/04/09/1038350409.db2.gz HPNSUGSXXYKNLA-SNVBAGLBSA-N 2 2 305.224 3.564 20 0 DHADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000572195440 1038350421 /nfs/dbraw/zinc/35/04/21/1038350421.db2.gz HPNSUGSXXYKNLA-SNVBAGLBSA-N 2 2 305.224 3.564 20 0 DHADLP Fc1ccc([C@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC001168388084 1038453941 /nfs/dbraw/zinc/45/39/41/1038453941.db2.gz AQVICFWNUOPHSD-LJQANCHMSA-N 2 2 320.427 3.976 20 0 DHADLP Fc1ccc([C@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC001168388084 1038453949 /nfs/dbraw/zinc/45/39/49/1038453949.db2.gz AQVICFWNUOPHSD-LJQANCHMSA-N 2 2 320.427 3.976 20 0 DHADLP Fc1ccc([C@@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC001168388082 1038454694 /nfs/dbraw/zinc/45/46/94/1038454694.db2.gz AQVICFWNUOPHSD-IBGZPJMESA-N 2 2 320.427 3.976 20 0 DHADLP Fc1ccc([C@@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC001168388082 1038454701 /nfs/dbraw/zinc/45/47/01/1038454701.db2.gz AQVICFWNUOPHSD-IBGZPJMESA-N 2 2 320.427 3.976 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc(F)cc2Cl)C1 ZINC000572807968 1038503759 /nfs/dbraw/zinc/50/37/59/1038503759.db2.gz RYFWDQXHHHRXRR-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc(F)cc2Cl)C1 ZINC000572807968 1038503764 /nfs/dbraw/zinc/50/37/64/1038503764.db2.gz RYFWDQXHHHRXRR-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000572807968 1038503767 /nfs/dbraw/zinc/50/37/67/1038503767.db2.gz RYFWDQXHHHRXRR-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000572807968 1038503773 /nfs/dbraw/zinc/50/37/73/1038503773.db2.gz RYFWDQXHHHRXRR-CQSZACIVSA-N 2 2 312.860 3.685 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccncc2)cc1 ZINC000573256064 1038892484 /nfs/dbraw/zinc/89/24/84/1038892484.db2.gz XNPGDNUSYPEKOV-RDTXWAMCSA-N 2 2 318.424 3.680 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000573366159 1038907596 /nfs/dbraw/zinc/90/75/96/1038907596.db2.gz GJMCTEBFVIYLQA-WFASDCNBSA-N 2 2 323.362 3.610 20 0 DHADLP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000573693490 1039073230 /nfs/dbraw/zinc/07/32/30/1039073230.db2.gz XGSCIKFSUWAXMW-KRWDZBQOSA-N 2 2 321.399 3.863 20 0 DHADLP Cn1c[nH+]cc1CCC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000573860320 1039096173 /nfs/dbraw/zinc/09/61/73/1039096173.db2.gz RNGNVNCXZPJSSM-UHFFFAOYSA-N 2 2 315.848 3.795 20 0 DHADLP Cn1c[nH+]cc1CCC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000573860320 1039096189 /nfs/dbraw/zinc/09/61/89/1039096189.db2.gz RNGNVNCXZPJSSM-UHFFFAOYSA-N 2 2 315.848 3.795 20 0 DHADLP Cc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000608069655 1040363420 /nfs/dbraw/zinc/36/34/20/1040363420.db2.gz DNBKBSQJHVWMPA-KRWDZBQOSA-N 2 2 311.454 3.864 20 0 DHADLP Cc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1F ZINC000608075032 1040369281 /nfs/dbraw/zinc/36/92/81/1040369281.db2.gz URZGFZGRKGKWMN-LJQANCHMSA-N 2 2 323.415 3.941 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000090667388 185308614 /nfs/dbraw/zinc/30/86/14/185308614.db2.gz LLXZYOANSQPYRN-HZPDHXFCSA-N 2 2 301.478 3.775 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)o1 ZINC000090667222 185308628 /nfs/dbraw/zinc/30/86/28/185308628.db2.gz MNWBFZHFONMWAP-JKSUJKDBSA-N 2 2 313.445 3.859 20 0 DHADLP CCOc1cccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c1 ZINC000236899556 202060464 /nfs/dbraw/zinc/06/04/64/202060464.db2.gz JDTLZMFVQPFORJ-UHFFFAOYSA-N 2 2 309.413 3.533 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cccnc2)CC1 ZINC000093300139 193226724 /nfs/dbraw/zinc/22/67/24/193226724.db2.gz RFHMSGAQQBOUKO-UHFFFAOYSA-N 2 2 320.440 3.831 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2nccs2)cc1F ZINC000093400989 193244523 /nfs/dbraw/zinc/24/45/23/193244523.db2.gz QAKQSQMAORGBJG-NSHDSACASA-N 2 2 316.405 3.627 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1nccs1 ZINC000093403598 193244818 /nfs/dbraw/zinc/24/48/18/193244818.db2.gz FOWPXGZLEFWEKL-KGLIPLIRSA-N 2 2 321.515 3.767 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1nccs1 ZINC000093403598 193244820 /nfs/dbraw/zinc/24/48/20/193244820.db2.gz FOWPXGZLEFWEKL-KGLIPLIRSA-N 2 2 321.515 3.767 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(CSC(F)F)o2)CC[N@@H+]1C ZINC000093644780 193280202 /nfs/dbraw/zinc/28/02/02/193280202.db2.gz DQXISHOETYQQDI-NWDGAFQWSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(CSC(F)F)o2)CC[N@H+]1C ZINC000093644780 193280203 /nfs/dbraw/zinc/28/02/03/193280203.db2.gz DQXISHOETYQQDI-NWDGAFQWSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(CSC(F)F)o2)CC[NH+]1C ZINC000093644780 193280205 /nfs/dbraw/zinc/28/02/05/193280205.db2.gz DQXISHOETYQQDI-NWDGAFQWSA-N 2 2 318.433 3.650 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(CSC(F)F)o2)CC[NH+]1C ZINC000093644780 193280207 /nfs/dbraw/zinc/28/02/07/193280207.db2.gz DQXISHOETYQQDI-NWDGAFQWSA-N 2 2 318.433 3.650 20 0 DHADLP Clc1ccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000040861525 183144020 /nfs/dbraw/zinc/14/40/20/183144020.db2.gz MMOWVIUTZILZDK-UHFFFAOYSA-N 2 2 322.880 3.669 20 0 DHADLP c1ccc(C[NH+]2CCC(Nc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000041604345 183209356 /nfs/dbraw/zinc/20/93/56/183209356.db2.gz IZMGNTMLDOOXAH-UHFFFAOYSA-N 2 2 306.413 3.639 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(Cl)sc1Cl ZINC000353175510 130089189 /nfs/dbraw/zinc/08/91/89/130089189.db2.gz MGOXSMVJEICHAC-UHFFFAOYSA-N 2 2 316.257 3.806 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000285197778 131146578 /nfs/dbraw/zinc/14/65/78/131146578.db2.gz WKWTVEBHYOMVJD-YJBOKZPZSA-N 2 2 313.445 3.504 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000285197778 131146580 /nfs/dbraw/zinc/14/65/80/131146580.db2.gz WKWTVEBHYOMVJD-YJBOKZPZSA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000285197778 131146582 /nfs/dbraw/zinc/14/65/82/131146582.db2.gz WKWTVEBHYOMVJD-YJBOKZPZSA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)[C@@H](C)C1 ZINC000285197778 131146583 /nfs/dbraw/zinc/14/65/83/131146583.db2.gz WKWTVEBHYOMVJD-YJBOKZPZSA-N 2 2 313.445 3.504 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285215660 131147900 /nfs/dbraw/zinc/14/79/00/131147900.db2.gz XGCWGKWUDDUBEU-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285215660 131147902 /nfs/dbraw/zinc/14/79/02/131147902.db2.gz XGCWGKWUDDUBEU-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285215660 131147903 /nfs/dbraw/zinc/14/79/03/131147903.db2.gz XGCWGKWUDDUBEU-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285215660 131147904 /nfs/dbraw/zinc/14/79/04/131147904.db2.gz XGCWGKWUDDUBEU-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340230257 131238046 /nfs/dbraw/zinc/23/80/46/131238046.db2.gz IZLCVLJZJRJCKW-KRWDZBQOSA-N 2 2 308.510 3.578 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000289121134 131359522 /nfs/dbraw/zinc/35/95/22/131359522.db2.gz NSSWEWRZDBQLPH-UHFFFAOYSA-N 2 2 322.452 3.918 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1coc(-c2cccs2)n1 ZINC000289182746 131363488 /nfs/dbraw/zinc/36/34/88/131363488.db2.gz GDQGTGRBXHTUOW-UHFFFAOYSA-N 2 2 313.426 3.829 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000289336154 131375266 /nfs/dbraw/zinc/37/52/66/131375266.db2.gz VPRTZCPJYTVJTM-STQMWFEESA-N 2 2 311.351 3.684 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](c4ccncc4)C3)cc2)c[nH+]1 ZINC000289457309 131388360 /nfs/dbraw/zinc/38/83/60/131388360.db2.gz XXIFBCCCCFVNFV-LJQANCHMSA-N 2 2 318.424 3.647 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](c4ccncc4)C3)cc2)c[nH+]1 ZINC000289457309 131388361 /nfs/dbraw/zinc/38/83/61/131388361.db2.gz XXIFBCCCCFVNFV-LJQANCHMSA-N 2 2 318.424 3.647 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000289521747 131392782 /nfs/dbraw/zinc/39/27/82/131392782.db2.gz DTQBTZITQDTLGZ-KRWDZBQOSA-N 2 2 300.377 3.575 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000289568386 131397135 /nfs/dbraw/zinc/39/71/35/131397135.db2.gz HFJIYNHWJPLKJG-XLIONFOSSA-N 2 2 311.473 3.604 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000340584374 132038183 /nfs/dbraw/zinc/03/81/83/132038183.db2.gz VOOGRAWKUOBERQ-BONVTDFDSA-N 2 2 310.228 3.856 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2cn[nH]c2)CCCC1)c1ccccc1 ZINC000297921260 132040814 /nfs/dbraw/zinc/04/08/14/132040814.db2.gz XEOUSGLPYZSXPF-JKSUJKDBSA-N 2 2 312.461 3.724 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000298560654 132068237 /nfs/dbraw/zinc/06/82/37/132068237.db2.gz VWHSZLUVDJLSNU-VAMGGRTRSA-N 2 2 309.457 3.621 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000298560654 132068238 /nfs/dbraw/zinc/06/82/38/132068238.db2.gz VWHSZLUVDJLSNU-VAMGGRTRSA-N 2 2 309.457 3.621 20 0 DHADLP CC(C)c1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000536390500 435380446 /nfs/dbraw/zinc/38/04/46/435380446.db2.gz JPTPTDSBNDSATJ-OAHLLOKOSA-N 2 2 304.482 3.866 20 0 DHADLP CC(C)c1cc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000536390500 435380451 /nfs/dbraw/zinc/38/04/51/435380451.db2.gz JPTPTDSBNDSATJ-OAHLLOKOSA-N 2 2 304.482 3.866 20 0 DHADLP COc1cccc([C@H](C)[NH+]2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000363356273 331598602 /nfs/dbraw/zinc/59/86/02/331598602.db2.gz LJFRTGZMJBUTOE-HNNXBMFYSA-N 2 2 302.462 3.753 20 0 DHADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(Cl)c1 ZINC000556409906 331701411 /nfs/dbraw/zinc/70/14/11/331701411.db2.gz MQDRZDFAQGESIH-ZDUSSCGKSA-N 2 2 303.837 3.766 20 0 DHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261725552 331833173 /nfs/dbraw/zinc/83/31/73/331833173.db2.gz RCWIFVKUZBFVOR-RTWAWAEBSA-N 3 2 323.484 3.763 20 0 DHADLP FC(F)(F)c1cscc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000558491071 331912735 /nfs/dbraw/zinc/91/27/35/331912735.db2.gz UZHXERIFAMFKBU-UHFFFAOYSA-N 2 2 303.353 3.533 20 0 DHADLP CC[C@H](C[NH2+]Cc1sccc1C)[N@@H+]1CCc2ccccc2C1 ZINC000518269971 332003574 /nfs/dbraw/zinc/00/35/74/332003574.db2.gz SISUUTITRVAFJP-GOSISDBHSA-N 2 2 314.498 3.983 20 0 DHADLP CC[C@H](C[NH2+]Cc1sccc1C)[N@H+]1CCc2ccccc2C1 ZINC000518269971 332003575 /nfs/dbraw/zinc/00/35/75/332003575.db2.gz SISUUTITRVAFJP-GOSISDBHSA-N 2 2 314.498 3.983 20 0 DHADLP Cc1oc(-c2cccs2)nc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000128490747 332012145 /nfs/dbraw/zinc/01/21/45/332012145.db2.gz KMPVHXJUYKVEPS-CYBMUJFWSA-N 2 2 307.463 3.517 20 0 DHADLP Cc1oc(-c2cccs2)nc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000128490747 332012146 /nfs/dbraw/zinc/01/21/46/332012146.db2.gz KMPVHXJUYKVEPS-CYBMUJFWSA-N 2 2 307.463 3.517 20 0 DHADLP CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000131733592 332033183 /nfs/dbraw/zinc/03/31/83/332033183.db2.gz CWGRNVXEELIWSQ-SFHVURJKSA-N 2 2 309.457 3.661 20 0 DHADLP Clc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CC2)cc1Cl ZINC000091264052 332102325 /nfs/dbraw/zinc/10/23/25/332102325.db2.gz DRUBCIWBMFANLW-OAHLLOKOSA-N 2 2 310.228 3.931 20 0 DHADLP CCSCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132245941 332120342 /nfs/dbraw/zinc/12/03/42/332120342.db2.gz KFZBNDSYVZSHRA-AEFFLSMTSA-N 2 2 306.519 3.772 20 0 DHADLP CCSCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132245941 332120344 /nfs/dbraw/zinc/12/03/44/332120344.db2.gz KFZBNDSYVZSHRA-AEFFLSMTSA-N 2 2 306.519 3.772 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448020297 332178709 /nfs/dbraw/zinc/17/87/09/332178709.db2.gz BHHJPMNXFAVXES-HBUWYVDXSA-N 2 2 316.420 3.904 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448020297 332178710 /nfs/dbraw/zinc/17/87/10/332178710.db2.gz BHHJPMNXFAVXES-HBUWYVDXSA-N 2 2 316.420 3.904 20 0 DHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000426058100 335094246 /nfs/dbraw/zinc/09/42/46/335094246.db2.gz CWMAHBIBBONHBN-NVXWUHKLSA-N 2 2 316.445 3.503 20 0 DHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000426058100 335094248 /nfs/dbraw/zinc/09/42/48/335094248.db2.gz CWMAHBIBBONHBN-NVXWUHKLSA-N 2 2 316.445 3.503 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cscn1 ZINC000584302368 332230674 /nfs/dbraw/zinc/23/06/74/332230674.db2.gz BNQDKQMONINAFQ-FMKPAKJESA-N 2 2 307.507 3.837 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cscn1 ZINC000584302369 332230709 /nfs/dbraw/zinc/23/07/09/332230709.db2.gz BNQDKQMONINAFQ-IIAWOOMASA-N 2 2 307.507 3.837 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cscn1 ZINC000584302370 332230798 /nfs/dbraw/zinc/23/07/98/332230798.db2.gz BNQDKQMONINAFQ-IJEWVQPXSA-N 2 2 307.507 3.837 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)CCC2 ZINC000363756930 332241001 /nfs/dbraw/zinc/24/10/01/332241001.db2.gz IRNHNWOKZUSTCZ-OALUTQOASA-N 2 2 309.457 3.680 20 0 DHADLP Clc1cccc2c1CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000559953825 332296721 /nfs/dbraw/zinc/29/67/21/332296721.db2.gz LNZLRDPLUVJDPI-INIZCTEOSA-N 2 2 301.821 3.650 20 0 DHADLP C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178111134 333001815 /nfs/dbraw/zinc/00/18/15/333001815.db2.gz DOXBBWYQNIRKHM-YJBOKZPZSA-N 2 2 319.408 3.527 20 0 DHADLP Cn1c2ccccc2[nH+]c1CCCNc1[nH+]c2ccccc2n1C ZINC000178813554 333020907 /nfs/dbraw/zinc/02/09/07/333020907.db2.gz ARKMBPQARHUFEH-UHFFFAOYSA-N 2 2 319.412 3.505 20 0 DHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1F ZINC000180123193 333027420 /nfs/dbraw/zinc/02/74/20/333027420.db2.gz IEUCTEIWXGBAHG-GOSISDBHSA-N 2 2 313.420 3.930 20 0 DHADLP COc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000518771295 333078371 /nfs/dbraw/zinc/07/83/71/333078371.db2.gz UEJVMWCKHRTYBV-UHFFFAOYSA-N 2 2 310.869 3.560 20 0 DHADLP c1cc2[nH+]ccc(N[C@@H](C[NH+]3CCCC3)c3ccccc3)c2s1 ZINC000462090068 333131945 /nfs/dbraw/zinc/13/19/45/333131945.db2.gz CJYLUCLWYAANSC-SFHVURJKSA-N 2 2 323.465 3.967 20 0 DHADLP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182093709 333149288 /nfs/dbraw/zinc/14/92/88/333149288.db2.gz IGFQHUSWCVVOGN-UMEYKSNOSA-N 2 2 309.457 3.778 20 0 DHADLP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182093709 333149289 /nfs/dbraw/zinc/14/92/89/333149289.db2.gz IGFQHUSWCVVOGN-UMEYKSNOSA-N 2 2 309.457 3.778 20 0 DHADLP c1cn2c(cccc2C[NH2+]Cc2cccc(-c3cccnc3)c2)[nH+]1 ZINC000363837807 333181270 /nfs/dbraw/zinc/18/12/70/333181270.db2.gz RAOKXWZULGQIKU-UHFFFAOYSA-N 2 2 314.392 3.686 20 0 DHADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000563051985 333211742 /nfs/dbraw/zinc/21/17/42/333211742.db2.gz HATZGGDBDCMDOI-QHAWAJNXSA-N 2 2 324.468 3.873 20 0 DHADLP Cc1ccc(C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000518786189 333238417 /nfs/dbraw/zinc/23/84/17/333238417.db2.gz SNBGXOTTWVPFDC-UHFFFAOYSA-N 2 2 308.469 3.922 20 0 DHADLP Cc1ccc(C[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000518786189 333238418 /nfs/dbraw/zinc/23/84/18/333238418.db2.gz SNBGXOTTWVPFDC-UHFFFAOYSA-N 2 2 308.469 3.922 20 0 DHADLP C[C@@H]1[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H]1c1ccccc1 ZINC000497393580 333245216 /nfs/dbraw/zinc/24/52/16/333245216.db2.gz UZYOFBRGHNMCFD-FFZOFVMBSA-N 2 2 321.468 3.832 20 0 DHADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1C ZINC000499668824 333295484 /nfs/dbraw/zinc/29/54/84/333295484.db2.gz GAISXZXZNJIUEP-DYVFJYSZSA-N 2 2 311.473 3.808 20 0 DHADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1C ZINC000499668824 333295487 /nfs/dbraw/zinc/29/54/87/333295487.db2.gz GAISXZXZNJIUEP-DYVFJYSZSA-N 2 2 311.473 3.808 20 0 DHADLP CC1CC([NH2+]CC2CCCC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000390564379 333300699 /nfs/dbraw/zinc/30/06/99/333300699.db2.gz NHNJBKWKQLPRIF-PVAVHDDUSA-N 2 2 308.416 3.674 20 0 DHADLP CC1CC([NH2+]CC2CCCC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000390564379 333300700 /nfs/dbraw/zinc/30/07/00/333300700.db2.gz NHNJBKWKQLPRIF-PVAVHDDUSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000390564379 333300702 /nfs/dbraw/zinc/30/07/02/333300702.db2.gz NHNJBKWKQLPRIF-PVAVHDDUSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000390564379 333300704 /nfs/dbraw/zinc/30/07/04/333300704.db2.gz NHNJBKWKQLPRIF-PVAVHDDUSA-N 2 2 308.416 3.674 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000390576501 333303052 /nfs/dbraw/zinc/30/30/52/333303052.db2.gz DUIXRXAINYVAGT-SJORKVTESA-N 2 2 312.457 3.866 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390576501 333303053 /nfs/dbraw/zinc/30/30/53/333303053.db2.gz DUIXRXAINYVAGT-SJORKVTESA-N 2 2 312.457 3.866 20 0 DHADLP C[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)[N@H+](C)Cc1ccccc1 ZINC000111389291 333329257 /nfs/dbraw/zinc/32/92/57/333329257.db2.gz QROYYHRBGGMHDH-KRWDZBQOSA-N 2 2 322.452 3.573 20 0 DHADLP C[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)[N@@H+](C)Cc1ccccc1 ZINC000111389291 333329258 /nfs/dbraw/zinc/32/92/58/333329258.db2.gz QROYYHRBGGMHDH-KRWDZBQOSA-N 2 2 322.452 3.573 20 0 DHADLP Clc1ccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000123906139 333478031 /nfs/dbraw/zinc/47/80/31/333478031.db2.gz DCEUSIAENSWOHE-UHFFFAOYSA-N 2 2 315.848 3.536 20 0 DHADLP CN(C)c1[nH+]cc(C[NH2+][C@H](c2ccc(F)cc2)C(C)(C)C)n1C ZINC000320811206 335145988 /nfs/dbraw/zinc/14/59/88/335145988.db2.gz LAEPWZRMBPVTRA-MRXNPFEDSA-N 2 2 318.440 3.502 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000531688823 333545107 /nfs/dbraw/zinc/54/51/07/333545107.db2.gz VASJRPBMNVLCOU-JLTOFOAXSA-N 2 2 305.425 3.868 20 0 DHADLP CCCC[C@@H](CC)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000152091189 333604936 /nfs/dbraw/zinc/60/49/36/333604936.db2.gz UWNFOTWQYNGKAJ-QGZVFWFLSA-N 2 2 303.494 3.852 20 0 DHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000571632599 333865698 /nfs/dbraw/zinc/86/56/98/333865698.db2.gz GIOCEBWMVMGZLF-GFCCVEGCSA-N 2 2 319.836 3.732 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414061580 333889168 /nfs/dbraw/zinc/88/91/68/333889168.db2.gz KMMKCYSXLYCJTN-KMFMINBZSA-N 2 2 303.837 3.851 20 0 DHADLP Cc1occc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000414361094 333945157 /nfs/dbraw/zinc/94/51/57/333945157.db2.gz PIWAFIKYHGFMST-IBGZPJMESA-N 2 2 309.413 3.932 20 0 DHADLP CC[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CC(C)(C)C1 ZINC000414531179 334008618 /nfs/dbraw/zinc/00/86/18/334008618.db2.gz FVGZSGIQNDACNV-UHFFFAOYSA-N 2 2 321.534 3.920 20 0 DHADLP CC[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CC(C)(C)C1 ZINC000414531179 334008620 /nfs/dbraw/zinc/00/86/20/334008620.db2.gz FVGZSGIQNDACNV-UHFFFAOYSA-N 2 2 321.534 3.920 20 0 DHADLP CC[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C1CC(C)(C)C1 ZINC000414531179 334008621 /nfs/dbraw/zinc/00/86/21/334008621.db2.gz FVGZSGIQNDACNV-UHFFFAOYSA-N 2 2 321.534 3.920 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000271380860 334022505 /nfs/dbraw/zinc/02/25/05/334022505.db2.gz IHYCZUATOJVQBN-XLIONFOSSA-N 2 2 309.457 3.878 20 0 DHADLP CC(C)C[C@H]([NH3+])c1noc(-c2ccccc2Oc2cc[nH+]cc2)n1 ZINC000414613146 334040499 /nfs/dbraw/zinc/04/04/99/334040499.db2.gz FMBPRANEPFJHRR-HNNXBMFYSA-N 2 2 324.384 3.970 20 0 DHADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000414688605 334069154 /nfs/dbraw/zinc/06/91/54/334069154.db2.gz JMMNKKGJMVACRT-KRWDZBQOSA-N 2 2 322.880 3.608 20 0 DHADLP Cc1cccc2nc(C3CC[NH+](C[C@@H]([NH3+])CC(C)C)CC3)oc21 ZINC000414740726 334078112 /nfs/dbraw/zinc/07/81/12/334078112.db2.gz JZTHAPIIVAWVFU-INIZCTEOSA-N 2 2 315.461 3.689 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c(C)o1 ZINC000278276770 334094455 /nfs/dbraw/zinc/09/44/55/334094455.db2.gz PNTCAGLPBMNWGR-ZDUSSCGKSA-N 2 2 310.401 3.636 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)s1 ZINC000278512572 334097212 /nfs/dbraw/zinc/09/72/12/334097212.db2.gz MFYDRQQUHNUMPB-QWHCGFSZSA-N 2 2 316.898 3.553 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)s1 ZINC000278512572 334097213 /nfs/dbraw/zinc/09/72/13/334097213.db2.gz MFYDRQQUHNUMPB-QWHCGFSZSA-N 2 2 316.898 3.553 20 0 DHADLP Fc1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)c2ncccc12 ZINC000414803512 334102482 /nfs/dbraw/zinc/10/24/82/334102482.db2.gz JNMGEJOTSYHGHV-UHFFFAOYSA-N 2 2 315.436 3.776 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414827192 334110128 /nfs/dbraw/zinc/11/01/28/334110128.db2.gz GVJBRFGLCSKXFR-SUMWQHHRSA-N 2 2 322.374 3.926 20 0 DHADLP [NH3+][C@H](C[NH2+]Cc1cccc(OC2CCCC2)c1)c1ccccc1 ZINC000414835983 334111452 /nfs/dbraw/zinc/11/14/52/334111452.db2.gz SJSSHBJLCDJZAG-HXUWFJFHSA-N 2 2 310.441 3.798 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]CC1([NH3+])CCC1 ZINC000414870830 334142440 /nfs/dbraw/zinc/14/24/40/334142440.db2.gz CQAWOJUOWJUENM-UHFFFAOYSA-N 2 2 310.441 3.642 20 0 DHADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414923507 334183823 /nfs/dbraw/zinc/18/38/23/334183823.db2.gz FKMQTDJYRWOTJV-CQSZACIVSA-N 2 2 321.515 3.739 20 0 DHADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000415080405 334272098 /nfs/dbraw/zinc/27/20/98/334272098.db2.gz JEZOPMQEOHPZCD-ZIAGYGMSSA-N 2 2 319.474 3.804 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc2cccnc12 ZINC000414957043 334208814 /nfs/dbraw/zinc/20/88/14/334208814.db2.gz PIMPYVIDUUCIFK-FQEVSTJZSA-N 2 2 317.436 3.520 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[NH2+]1 ZINC000414957716 334210031 /nfs/dbraw/zinc/21/00/31/334210031.db2.gz WIRYULFKXRUUSB-BXKDBHETSA-N 2 2 306.759 3.589 20 0 DHADLP c1ccc([C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000294873390 334214003 /nfs/dbraw/zinc/21/40/03/334214003.db2.gz WUTTZVMPSWLVIS-RBUKOAKNSA-N 2 2 314.473 3.515 20 0 DHADLP Cc1cc(N)cc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000414970575 334218183 /nfs/dbraw/zinc/21/81/83/334218183.db2.gz VDIFPUCVQYQJJC-UZLBHIALSA-N 2 2 309.457 3.502 20 0 DHADLP Cc1cc(N)cc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000414970575 334218185 /nfs/dbraw/zinc/21/81/85/334218185.db2.gz VDIFPUCVQYQJJC-UZLBHIALSA-N 2 2 309.457 3.502 20 0 DHADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000415012731 334258399 /nfs/dbraw/zinc/25/83/99/334258399.db2.gz JUJQGGUQBKVGCG-HTQZYQBOSA-N 2 2 314.273 3.550 20 0 DHADLP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415038218 334260738 /nfs/dbraw/zinc/26/07/38/334260738.db2.gz HUEQGIXATVOTBO-AAEUAGOBSA-N 2 2 318.408 3.731 20 0 DHADLP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415038218 334260740 /nfs/dbraw/zinc/26/07/40/334260740.db2.gz HUEQGIXATVOTBO-AAEUAGOBSA-N 2 2 318.408 3.731 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnc(C(C)C)s1 ZINC000415043131 334260996 /nfs/dbraw/zinc/26/09/96/334260996.db2.gz AGGSPFYKYSQYOI-INIZCTEOSA-N 2 2 303.475 3.619 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000415066217 334262429 /nfs/dbraw/zinc/26/24/29/334262429.db2.gz OELPGLCJMCRACX-MRXNPFEDSA-N 2 2 317.502 3.793 20 0 DHADLP CCc1cnc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)o1 ZINC000534472537 334269983 /nfs/dbraw/zinc/26/99/83/334269983.db2.gz DNXSUVMUZCZLRQ-OAHLLOKOSA-N 2 2 324.428 3.560 20 0 DHADLP CCc1cnc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)o1 ZINC000534472537 334269985 /nfs/dbraw/zinc/26/99/85/334269985.db2.gz DNXSUVMUZCZLRQ-OAHLLOKOSA-N 2 2 324.428 3.560 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000415113817 334282303 /nfs/dbraw/zinc/28/23/03/334282303.db2.gz SRPULMCIUUIMDZ-NXEZZACHSA-N 2 2 305.224 3.783 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000531949981 334304055 /nfs/dbraw/zinc/30/40/55/334304055.db2.gz BDCUEVGYZIRKLB-BXUZGUMPSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000531949981 334304057 /nfs/dbraw/zinc/30/40/57/334304057.db2.gz BDCUEVGYZIRKLB-BXUZGUMPSA-N 2 2 301.261 3.813 20 0 DHADLP Cc1ccccc1CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861842 334341604 /nfs/dbraw/zinc/34/16/04/334341604.db2.gz WRUFORKOAYLLRO-UHFFFAOYSA-N 2 2 309.457 3.899 20 0 DHADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)CC1CCOCC1)[NH+](C)C ZINC000443205923 338447225 /nfs/dbraw/zinc/44/72/25/338447225.db2.gz FAYFZEXRIKVJMK-ZWOKBUDYSA-N 2 2 318.505 3.781 20 0 DHADLP COC[C@H](CC(C)C)[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443221059 338448050 /nfs/dbraw/zinc/44/80/50/338448050.db2.gz XSJIVWWPKARFGL-JENIJYKNSA-N 2 2 306.494 3.637 20 0 DHADLP Fc1ccc2cc[nH+]c(NCCc3cn4c([nH+]3)CCCC4)c2c1 ZINC000443433598 338451673 /nfs/dbraw/zinc/45/16/73/338451673.db2.gz SSSOBJZSVSLSJO-UHFFFAOYSA-N 2 2 310.376 3.561 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)c1cc2ccccc2s1)C[NH+]1CCOCC1 ZINC000188045157 334612046 /nfs/dbraw/zinc/61/20/46/334612046.db2.gz ROPLMNUYRVGISH-CABCVRRESA-N 2 2 318.486 3.520 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1CC1(C)C ZINC000417404072 334861159 /nfs/dbraw/zinc/86/11/59/334861159.db2.gz OQJZHIRLPGLAPK-UONOGXRCSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccco1 ZINC000165386817 334914606 /nfs/dbraw/zinc/91/46/06/334914606.db2.gz BQEXTHQYSWSQEW-AWEZNQCLSA-N 2 2 302.393 3.734 20 0 DHADLP c1cn(-c2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)c[nH+]1 ZINC000343950735 335207445 /nfs/dbraw/zinc/20/74/45/335207445.db2.gz HPHUIKOMGZTJNY-UHFFFAOYSA-N 2 2 302.381 3.643 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H]3CC[C@H]4CCC[C@@H]4C3)c2)c[nH+]1 ZINC000344195346 335229352 /nfs/dbraw/zinc/22/93/52/335229352.db2.gz IVDAARDOKWWEQV-RBSFLKMASA-N 2 2 301.459 3.992 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000344334626 335241935 /nfs/dbraw/zinc/24/19/35/335241935.db2.gz SOTZSBHQXNGNPT-CSMYWGQOSA-N 2 2 320.864 3.626 20 0 DHADLP CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000344335149 335241947 /nfs/dbraw/zinc/24/19/47/335241947.db2.gz RIIXAFBVSJMEEJ-GOEBONIOSA-N 2 2 319.474 3.617 20 0 DHADLP Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000344616306 335264211 /nfs/dbraw/zinc/26/42/11/335264211.db2.gz GNLLEGSZLVIDBA-OAHLLOKOSA-N 2 2 309.413 3.885 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)CCC2 ZINC000344780492 335276852 /nfs/dbraw/zinc/27/68/52/335276852.db2.gz YKLJXUVTVMVBMC-GBESFXJTSA-N 2 2 309.457 3.995 20 0 DHADLP Cc1ccoc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000344835763 335278917 /nfs/dbraw/zinc/27/89/17/335278917.db2.gz JMQYVZUISQSWRJ-SFHVURJKSA-N 2 2 309.413 3.932 20 0 DHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)cc1F ZINC000346145504 335381421 /nfs/dbraw/zinc/38/14/21/335381421.db2.gz SKZVSGOIXDSJIE-UHFFFAOYSA-N 2 2 319.380 3.844 20 0 DHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(F)cc1F ZINC000346145504 335381422 /nfs/dbraw/zinc/38/14/22/335381422.db2.gz SKZVSGOIXDSJIE-UHFFFAOYSA-N 2 2 319.380 3.844 20 0 DHADLP CC[C@@H]1CCCC[N@@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346155971 335382917 /nfs/dbraw/zinc/38/29/17/335382917.db2.gz RWBSWDJGNHLBDW-CQSZACIVSA-N 2 2 307.507 3.674 20 0 DHADLP CC[C@@H]1CCCC[N@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346155971 335382919 /nfs/dbraw/zinc/38/29/19/335382919.db2.gz RWBSWDJGNHLBDW-CQSZACIVSA-N 2 2 307.507 3.674 20 0 DHADLP CC[C@@H]1CCCC[NH+]1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346155971 335382920 /nfs/dbraw/zinc/38/29/20/335382920.db2.gz RWBSWDJGNHLBDW-CQSZACIVSA-N 2 2 307.507 3.674 20 0 DHADLP CC[C@@H]1CCCC[NH+]1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346155971 335382922 /nfs/dbraw/zinc/38/29/22/335382922.db2.gz RWBSWDJGNHLBDW-CQSZACIVSA-N 2 2 307.507 3.674 20 0 DHADLP CC(C)COC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346169241 335384767 /nfs/dbraw/zinc/38/47/67/335384767.db2.gz IORUWOLIZHPUEF-UHFFFAOYSA-N 2 2 319.474 3.571 20 0 DHADLP CCCO[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346204231 335390156 /nfs/dbraw/zinc/39/01/56/335390156.db2.gz PQAIDKHZFJVQAY-MRXNPFEDSA-N 2 2 319.474 3.715 20 0 DHADLP CCCO[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346204231 335390158 /nfs/dbraw/zinc/39/01/58/335390158.db2.gz PQAIDKHZFJVQAY-MRXNPFEDSA-N 2 2 319.474 3.715 20 0 DHADLP Clc1ccccc1C[N@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000346276789 335391598 /nfs/dbraw/zinc/39/15/98/335391598.db2.gz MRAPVVXXQCDXQJ-UHFFFAOYSA-N 2 2 303.837 3.981 20 0 DHADLP COc1ccc([C@@H](C[NH+]2CCCC2)Nc2cc(C)cc[nH+]2)cc1 ZINC000347419282 335495119 /nfs/dbraw/zinc/49/51/19/335495119.db2.gz WKYKEVCJTJQKKO-GOSISDBHSA-N 2 2 311.429 3.648 20 0 DHADLP CC[C@H]([NH2+][C@H](C)C[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000348268289 335569859 /nfs/dbraw/zinc/56/98/59/335569859.db2.gz DPLLXQHEHIJESM-KUHUBIRLSA-N 2 2 300.446 3.839 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000349202168 335641548 /nfs/dbraw/zinc/64/15/48/335641548.db2.gz NPOBGJSGKIZILE-QGPMSJSTSA-N 2 2 304.503 3.570 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C/C=C/c1ccc(F)cc1F)CCC2 ZINC000350050934 335721485 /nfs/dbraw/zinc/72/14/85/335721485.db2.gz SNRUWGYEKRXVLI-TXTHVTMNSA-N 2 2 317.383 3.650 20 0 DHADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)c1 ZINC000532237807 335923727 /nfs/dbraw/zinc/92/37/27/335923727.db2.gz STMGTCWZEZYNHA-SFHVURJKSA-N 2 2 309.457 3.533 20 0 DHADLP Cc1ccc2[nH]c(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2c1C ZINC000351993476 336186724 /nfs/dbraw/zinc/18/67/24/336186724.db2.gz AEVQSFHTGICXLY-UHFFFAOYSA-N 2 2 308.429 3.818 20 0 DHADLP CCc1ccc([C@@H](C[NH2+]Cc2ccc(CC)nc2)[NH+](C)C)cc1 ZINC000352250540 336206842 /nfs/dbraw/zinc/20/68/42/336206842.db2.gz ISEVOJLHWSAVNJ-HXUWFJFHSA-N 2 2 311.473 3.599 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)co2)cc1 ZINC000352347108 336213517 /nfs/dbraw/zinc/21/35/17/336213517.db2.gz UVWCHSZIKUAFOZ-INIZCTEOSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)co2)cc1 ZINC000352347108 336213518 /nfs/dbraw/zinc/21/35/18/336213518.db2.gz UVWCHSZIKUAFOZ-INIZCTEOSA-N 2 2 322.412 3.753 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc3sccc3c2)s1 ZINC000352452171 336219924 /nfs/dbraw/zinc/21/99/24/336219924.db2.gz BZQGINIGIUEWMI-UHFFFAOYSA-N 2 2 317.483 3.709 20 0 DHADLP CC(C)COc1cccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000352451273 336219957 /nfs/dbraw/zinc/21/99/57/336219957.db2.gz VOCQTVLGVJUOBS-KRWDZBQOSA-N 2 2 313.445 3.585 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000395649862 336221102 /nfs/dbraw/zinc/22/11/02/336221102.db2.gz JTXKAFLVYOZVHG-CQSZACIVSA-N 2 2 304.384 3.747 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000352503181 336222146 /nfs/dbraw/zinc/22/21/46/336222146.db2.gz CKDITJIYWRVITJ-MRXNPFEDSA-N 2 2 319.449 3.653 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000352503181 336222147 /nfs/dbraw/zinc/22/21/47/336222147.db2.gz CKDITJIYWRVITJ-MRXNPFEDSA-N 2 2 319.449 3.653 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000352650759 336228813 /nfs/dbraw/zinc/22/88/13/336228813.db2.gz ZGPXHVOMDPJOQS-CVEARBPZSA-N 2 2 321.424 3.860 20 0 DHADLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352743134 336234297 /nfs/dbraw/zinc/23/42/97/336234297.db2.gz SSBKHLBZUMCYJP-SCLBCKFNSA-N 2 2 315.486 3.618 20 0 DHADLP Cc1ccccc1[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C1CC1 ZINC000352773239 336235565 /nfs/dbraw/zinc/23/55/65/336235565.db2.gz QKVCWPXSSLWZMW-SFHVURJKSA-N 2 2 315.486 3.754 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000532449212 336246619 /nfs/dbraw/zinc/24/66/19/336246619.db2.gz QMWJEMDVULVOES-MRXNPFEDSA-N 3 2 323.444 3.508 20 0 DHADLP CC[C@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCOCC1 ZINC000532452085 336249993 /nfs/dbraw/zinc/24/99/93/336249993.db2.gz OYQZYYWSPKZUIN-PMACEKPBSA-N 2 2 316.489 3.618 20 0 DHADLP CCc1ccc(C[NH2+]C[C@H](CC)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000352834529 336271479 /nfs/dbraw/zinc/27/14/79/336271479.db2.gz XKQRUAXKKVXCPZ-NRFANRHFSA-N 2 2 323.484 3.571 20 0 DHADLP Fc1cccc(F)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192924357 336284507 /nfs/dbraw/zinc/28/45/07/336284507.db2.gz HPYFBPJGQQBJJU-MRXNPFEDSA-N 2 2 316.395 3.577 20 0 DHADLP Fc1cccc(F)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192924357 336284508 /nfs/dbraw/zinc/28/45/08/336284508.db2.gz HPYFBPJGQQBJJU-MRXNPFEDSA-N 2 2 316.395 3.577 20 0 DHADLP Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)nc(C(C)C)[nH+]1 ZINC000301076776 336288665 /nfs/dbraw/zinc/28/86/65/336288665.db2.gz HLNJNOJIYDSHKL-UHFFFAOYSA-N 2 2 311.433 3.516 20 0 DHADLP Cc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)nc[nH+]1 ZINC000301235627 336296135 /nfs/dbraw/zinc/29/61/35/336296135.db2.gz LLXVXPBKVXYPMA-INIZCTEOSA-N 2 2 310.445 3.861 20 0 DHADLP Cc1cc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nc[nH+]1 ZINC000301260803 336297367 /nfs/dbraw/zinc/29/73/67/336297367.db2.gz SIQCHZPYHZUEPB-OAHLLOKOSA-N 2 2 310.445 3.629 20 0 DHADLP Cc1cc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nc[nH+]1 ZINC000301260803 336297368 /nfs/dbraw/zinc/29/73/68/336297368.db2.gz SIQCHZPYHZUEPB-OAHLLOKOSA-N 2 2 310.445 3.629 20 0 DHADLP Cc1cc(NCc2ccccc2C[NH+]2CCCCCC2)nc[nH+]1 ZINC000301277184 336298296 /nfs/dbraw/zinc/29/82/96/336298296.db2.gz ZNLRJEZCDUTIJF-UHFFFAOYSA-N 2 2 310.445 3.773 20 0 DHADLP Cc1nc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(C)c(C)[nH+]1 ZINC000301423264 336305745 /nfs/dbraw/zinc/30/57/45/336305745.db2.gz ALWSXWLASVIJJJ-INIZCTEOSA-N 2 2 314.433 3.634 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCNc1nc(C)[nH+]c(C)c1C ZINC000301449009 336307459 /nfs/dbraw/zinc/30/74/59/336307459.db2.gz RUUJKXUFGGVADR-UHFFFAOYSA-N 2 2 309.417 3.562 20 0 DHADLP Cc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2ccccc2[nH+]1 ZINC000301664171 336321674 /nfs/dbraw/zinc/32/16/74/336321674.db2.gz ZAPNPTQVDINUGW-LIRRHRJNSA-N 2 2 306.413 3.827 20 0 DHADLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1 ZINC000301665669 336321933 /nfs/dbraw/zinc/32/19/33/336321933.db2.gz ZVYBSRCASBWTIQ-OAHLLOKOSA-N 2 2 315.848 3.927 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c(C)[nH+]1 ZINC000301665920 336321936 /nfs/dbraw/zinc/32/19/36/336321936.db2.gz CDHOVYMJJSAQHD-AUUYWEPGSA-N 2 2 324.472 3.724 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c(C)[nH+]1 ZINC000301665920 336321937 /nfs/dbraw/zinc/32/19/37/336321937.db2.gz CDHOVYMJJSAQHD-AUUYWEPGSA-N 2 2 324.472 3.724 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301695618 336324011 /nfs/dbraw/zinc/32/40/11/336324011.db2.gz ZUKQOXFUCQNEPU-IFXJQAMLSA-N 2 2 324.472 3.867 20 0 DHADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301695618 336324012 /nfs/dbraw/zinc/32/40/12/336324012.db2.gz ZUKQOXFUCQNEPU-IFXJQAMLSA-N 2 2 324.472 3.867 20 0 DHADLP Cc1cccc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000301711638 336325080 /nfs/dbraw/zinc/32/50/80/336325080.db2.gz VDVDIKPMOFRUEQ-OAHLLOKOSA-N 2 2 315.848 3.927 20 0 DHADLP Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c2ccccc2[nH+]1 ZINC000301783357 336329484 /nfs/dbraw/zinc/32/94/84/336329484.db2.gz UHSSQPHRBJIGMH-HNNXBMFYSA-N 2 2 304.397 3.629 20 0 DHADLP Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c2ccccc2[nH+]1 ZINC000301783358 336329562 /nfs/dbraw/zinc/32/95/62/336329562.db2.gz UHSSQPHRBJIGMH-OAHLLOKOSA-N 2 2 304.397 3.629 20 0 DHADLP CC(C)c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)nc(C(C)C)[nH+]1 ZINC000301859181 336334670 /nfs/dbraw/zinc/33/46/70/336334670.db2.gz JXQDVXREHPKCDV-DOTOQJQBSA-N 2 2 316.493 3.644 20 0 DHADLP CC(C)c1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nc(C(C)C)[nH+]1 ZINC000301859181 336334671 /nfs/dbraw/zinc/33/46/71/336334671.db2.gz JXQDVXREHPKCDV-DOTOQJQBSA-N 2 2 316.493 3.644 20 0 DHADLP Cc1cc(NCc2ccc(C[NH+](C)C)c(F)c2)nc(C(C)C)[nH+]1 ZINC000301860660 336334786 /nfs/dbraw/zinc/33/47/86/336334786.db2.gz FQCNQDVPHCPYAW-UHFFFAOYSA-N 2 2 316.424 3.721 20 0 DHADLP Cc1ccccc1C[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000301882707 336336141 /nfs/dbraw/zinc/33/61/41/336336141.db2.gz MYVDBMUWNNAYQC-UHFFFAOYSA-N 2 2 320.440 3.948 20 0 DHADLP C[NH+](C)[C@H](CNc1[nH]c2ccccc2[nH+]1)c1c(F)cccc1F ZINC000301894757 336336724 /nfs/dbraw/zinc/33/67/24/336336724.db2.gz SZRNYPYIXZEIIK-OAHLLOKOSA-N 2 2 316.355 3.556 20 0 DHADLP C[NH+](C)[C@@H](CNc1[nH]c2ccccc2[nH+]1)c1c(F)cccc1F ZINC000301894756 336336767 /nfs/dbraw/zinc/33/67/67/336336767.db2.gz SZRNYPYIXZEIIK-HNNXBMFYSA-N 2 2 316.355 3.556 20 0 DHADLP Cc1[nH+]c2ccccc2c(NCc2ccc[nH+]c2N(C)C)c1C ZINC000302070145 336346832 /nfs/dbraw/zinc/34/68/32/336346832.db2.gz GMHYHTUUUUPYEB-UHFFFAOYSA-N 2 2 306.413 3.925 20 0 DHADLP Cc1cc(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nc[nH+]1 ZINC000302225914 336354909 /nfs/dbraw/zinc/35/49/09/336354909.db2.gz SABQWVGCVOFFRO-AWEZNQCLSA-N 2 2 324.350 3.519 20 0 DHADLP Cc1ccc2[nH+]ccc(N[C@@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000302234368 336355558 /nfs/dbraw/zinc/35/55/58/336355558.db2.gz UDZXKILZMFWBIG-OAHLLOKOSA-N 2 2 304.397 3.629 20 0 DHADLP Cc1cccc(CCC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000352920812 336377086 /nfs/dbraw/zinc/37/70/86/336377086.db2.gz ATYDJSUPYMEJED-RXVVDRJESA-N 2 2 323.484 3.748 20 0 DHADLP Cc1cccc(CCC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000352920812 336377087 /nfs/dbraw/zinc/37/70/87/336377087.db2.gz ATYDJSUPYMEJED-RXVVDRJESA-N 2 2 323.484 3.748 20 0 DHADLP Cc1cccc(CCC[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000352920811 336377155 /nfs/dbraw/zinc/37/71/55/336377155.db2.gz ATYDJSUPYMEJED-NQIIRXRSSA-N 2 2 323.484 3.748 20 0 DHADLP Cc1cccc(CCC[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000352920811 336377156 /nfs/dbraw/zinc/37/71/56/336377156.db2.gz ATYDJSUPYMEJED-NQIIRXRSSA-N 2 2 323.484 3.748 20 0 DHADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c(Cl)oc4ccccc43)[C@@H]2C1 ZINC000352930258 336377943 /nfs/dbraw/zinc/37/79/43/336377943.db2.gz JQOOBEMIMYMHFS-SWLSCSKDSA-N 2 2 304.821 3.612 20 0 DHADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c(Cl)oc4ccccc43)[C@@H]2C1 ZINC000352930258 336377944 /nfs/dbraw/zinc/37/79/44/336377944.db2.gz JQOOBEMIMYMHFS-SWLSCSKDSA-N 2 2 304.821 3.612 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c(Cl)oc4ccccc43)[C@@H]2C1 ZINC000352930258 336377945 /nfs/dbraw/zinc/37/79/45/336377945.db2.gz JQOOBEMIMYMHFS-SWLSCSKDSA-N 2 2 304.821 3.612 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c(Cl)oc4ccccc43)[C@@H]2C1 ZINC000352930258 336377946 /nfs/dbraw/zinc/37/79/46/336377946.db2.gz JQOOBEMIMYMHFS-SWLSCSKDSA-N 2 2 304.821 3.612 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)CCC2 ZINC000353341930 336412722 /nfs/dbraw/zinc/41/27/22/336412722.db2.gz VNWDHIQGBSYEFI-DZGCQCFKSA-N 2 2 311.420 3.873 20 0 DHADLP c1cn2c(cccc2C[NH2+]Cc2ccc(-c3ccccc3)o2)[nH+]1 ZINC000354271530 336465144 /nfs/dbraw/zinc/46/51/44/336465144.db2.gz LDKOOTKIGDIRIP-UHFFFAOYSA-N 2 2 303.365 3.884 20 0 DHADLP Cc1ccc(CCCNc2ccc(N3CCCCC3)[nH+]c2)c[nH+]1 ZINC000354571342 336475395 /nfs/dbraw/zinc/47/53/95/336475395.db2.gz LUKVFUYCGVPXRO-UHFFFAOYSA-N 2 2 310.445 3.820 20 0 DHADLP CCSc1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)ccn1 ZINC000354633152 336477042 /nfs/dbraw/zinc/47/70/42/336477042.db2.gz NVXRPFIVGYRDHO-UHFFFAOYSA-N 2 2 301.459 3.619 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)c[nH+]1 ZINC000354633551 336477047 /nfs/dbraw/zinc/47/70/47/336477047.db2.gz IRTMIBHWMATCNL-XLIONFOSSA-N 2 2 311.473 3.604 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1nc2c(s1)CCC2 ZINC000355118671 336495418 /nfs/dbraw/zinc/49/54/18/336495418.db2.gz KGCVTHBIDVZLHP-GFCCVEGCSA-N 2 2 307.507 3.545 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000356298741 336545083 /nfs/dbraw/zinc/54/50/83/336545083.db2.gz DAVGMLGWLAEFOX-CQSZACIVSA-N 2 2 310.376 3.566 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC12CCOCC2)c1ccccc1 ZINC000367260782 336583091 /nfs/dbraw/zinc/58/30/91/336583091.db2.gz RZEIXGJDCQTGMU-MOPGFXCFSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000357708555 336595262 /nfs/dbraw/zinc/59/52/62/336595262.db2.gz OTEKCXZUSUIWCL-QGZVFWFLSA-N 2 2 306.413 3.717 20 0 DHADLP COCCC[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000358342700 336625011 /nfs/dbraw/zinc/62/50/11/336625011.db2.gz GHJOTXRVHCATTC-MJGOQNOKSA-N 2 2 315.461 3.646 20 0 DHADLP Brc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000358952147 336649167 /nfs/dbraw/zinc/64/91/67/336649167.db2.gz YPBFTPCHNANWDB-MRXNPFEDSA-N 2 2 323.278 3.512 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)CCC2 ZINC000359325158 336667781 /nfs/dbraw/zinc/66/77/81/336667781.db2.gz SAEZSNYMVLKGIN-AEFFLSMTSA-N 2 2 313.420 3.949 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c2ccccc12 ZINC000360040635 336698859 /nfs/dbraw/zinc/69/88/59/336698859.db2.gz VEXSNLLPCSFIJJ-CABCVRRESA-N 2 2 309.413 3.784 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1nccn1C ZINC000360791115 336722285 /nfs/dbraw/zinc/72/22/85/336722285.db2.gz DQRIMCQDUMQGBX-GOSISDBHSA-N 2 2 318.509 3.506 20 0 DHADLP C[C@H]([NH2+]C1CC(c2ccccn2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000367373826 336733475 /nfs/dbraw/zinc/73/34/75/336733475.db2.gz YLXDGMKTOMPNQU-ZPQVWODMSA-N 2 2 309.457 3.609 20 0 DHADLP Fc1cccc(F)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361064096 336736349 /nfs/dbraw/zinc/73/63/49/336736349.db2.gz ZSLJMQNWSBYCOK-UHFFFAOYSA-N 2 2 319.399 3.854 20 0 DHADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000368486432 336846016 /nfs/dbraw/zinc/84/60/16/336846016.db2.gz BUPFFBTVXZQCBH-KFKAGJAMSA-N 2 2 302.437 3.568 20 0 DHADLP CCc1ccc([C@H](C)[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000370645937 336889502 /nfs/dbraw/zinc/88/95/02/336889502.db2.gz MXNMRGYGMBJJGN-HNNXBMFYSA-N 2 2 306.413 3.681 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(OC)cc1 ZINC000370681626 336891066 /nfs/dbraw/zinc/89/10/66/336891066.db2.gz IOWGFJCLKPMSTA-SJLPKXTDSA-N 2 2 313.445 3.818 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000372065310 336921026 /nfs/dbraw/zinc/92/10/26/336921026.db2.gz OWKSLIXYOXATFF-ZDUSSCGKSA-N 2 2 307.507 3.899 20 0 DHADLP Fc1cccc(C[NH+]2CCC([NH2+]CCCC(F)(F)F)CC2)c1 ZINC000372780380 336939300 /nfs/dbraw/zinc/93/93/00/336939300.db2.gz KNPZRXQYVNHRLN-UHFFFAOYSA-N 2 2 318.358 3.722 20 0 DHADLP C[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373490869 336962058 /nfs/dbraw/zinc/96/20/58/336962058.db2.gz RUROARQWJBHSGK-YUCHNRCRSA-N 2 2 318.427 3.960 20 0 DHADLP C[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373490866 336962068 /nfs/dbraw/zinc/96/20/68/336962068.db2.gz RUROARQWJBHSGK-IQAUEXFUSA-N 2 2 318.427 3.960 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)c[nH+]c12 ZINC000374474671 336990091 /nfs/dbraw/zinc/99/00/91/336990091.db2.gz XTJHJBUKWCXNKB-IEBWSBKVSA-N 2 2 321.424 3.510 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](Cc1ccc(C)cc1)C1CC1)CCC2 ZINC000374575456 336992784 /nfs/dbraw/zinc/99/27/84/336992784.db2.gz LYMFEYGBCCWAQV-WOJBJXKFSA-N 2 2 323.484 3.988 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374682248 336994972 /nfs/dbraw/zinc/99/49/72/336994972.db2.gz YVWGEKFHUXEQMX-AWEZNQCLSA-N 2 2 301.409 3.750 20 0 DHADLP Fc1cccc2c1[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000374722135 336995851 /nfs/dbraw/zinc/99/58/51/336995851.db2.gz VJLOTTGAHSENCQ-QGZVFWFLSA-N 2 2 318.436 3.646 20 0 DHADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000375062636 337002333 /nfs/dbraw/zinc/00/23/33/337002333.db2.gz UREBMONUPCDRES-NBMJBFSESA-N 2 2 320.525 3.607 20 0 DHADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000375062636 337002334 /nfs/dbraw/zinc/00/23/34/337002334.db2.gz UREBMONUPCDRES-NBMJBFSESA-N 2 2 320.525 3.607 20 0 DHADLP C[C@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000122415797 337008191 /nfs/dbraw/zinc/00/81/91/337008191.db2.gz AJHKMGRTOPSHIV-ROUUACIJSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cnn(C(C)C)c1C)CCC2 ZINC000375484184 337011933 /nfs/dbraw/zinc/01/19/33/337011933.db2.gz NOVUURRBKPFBGW-GOEBONIOSA-N 2 2 315.465 3.506 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000375860133 337021762 /nfs/dbraw/zinc/02/17/62/337021762.db2.gz LRRAFIMMVPNPAX-OAHLLOKOSA-N 2 2 318.852 3.892 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000375860133 337021763 /nfs/dbraw/zinc/02/17/63/337021763.db2.gz LRRAFIMMVPNPAX-OAHLLOKOSA-N 2 2 318.852 3.892 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)cs1 ZINC000376161561 337028580 /nfs/dbraw/zinc/02/85/80/337028580.db2.gz IYBNZFYGVWXDHM-GFCCVEGCSA-N 2 2 312.442 3.703 20 0 DHADLP Cc1nc([C@H](C)[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)cs1 ZINC000376161565 337028660 /nfs/dbraw/zinc/02/86/60/337028660.db2.gz IYBNZFYGVWXDHM-LBPRGKRZSA-N 2 2 312.442 3.703 20 0 DHADLP CC(C)n1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000376571796 337037003 /nfs/dbraw/zinc/03/70/03/337037003.db2.gz QSXVIFFXFLPYRO-SFHVURJKSA-N 2 2 318.509 3.552 20 0 DHADLP CC(C)n1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000376571796 337037004 /nfs/dbraw/zinc/03/70/04/337037004.db2.gz QSXVIFFXFLPYRO-SFHVURJKSA-N 2 2 318.509 3.552 20 0 DHADLP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)s1 ZINC000376682249 337039484 /nfs/dbraw/zinc/03/94/84/337039484.db2.gz TXKSSMSRLJSWRM-WMZOPIPTSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)s1 ZINC000376682249 337039485 /nfs/dbraw/zinc/03/94/85/337039485.db2.gz TXKSSMSRLJSWRM-WMZOPIPTSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)s1 ZINC000376682249 337039486 /nfs/dbraw/zinc/03/94/86/337039486.db2.gz TXKSSMSRLJSWRM-WMZOPIPTSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)s1 ZINC000376682249 337039487 /nfs/dbraw/zinc/03/94/87/337039487.db2.gz TXKSSMSRLJSWRM-WMZOPIPTSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ncc(C3CC3)o2)cc1 ZINC000376868020 337042967 /nfs/dbraw/zinc/04/29/67/337042967.db2.gz XSIWEELUFQZIRT-CYBMUJFWSA-N 2 2 322.412 3.897 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000376903381 337043525 /nfs/dbraw/zinc/04/35/25/337043525.db2.gz MVWFXSUPMLAYCQ-UHFFFAOYSA-N 2 2 322.456 3.832 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000376903381 337043526 /nfs/dbraw/zinc/04/35/26/337043526.db2.gz MVWFXSUPMLAYCQ-UHFFFAOYSA-N 2 2 322.456 3.832 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000377012819 337045225 /nfs/dbraw/zinc/04/52/25/337045225.db2.gz LPMJKOTUSZPDTI-CVEARBPZSA-N 2 2 319.518 3.560 20 0 DHADLP CCC1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCCC1 ZINC000123463923 337048438 /nfs/dbraw/zinc/04/84/38/337048438.db2.gz VOTJYOHJVJXEPJ-UHFFFAOYSA-N 2 2 301.478 3.606 20 0 DHADLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000377373812 337051215 /nfs/dbraw/zinc/05/12/15/337051215.db2.gz USPRWYMFFKNNRI-PKOBYXMFSA-N 2 2 320.521 3.817 20 0 DHADLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000377373812 337051216 /nfs/dbraw/zinc/05/12/16/337051216.db2.gz USPRWYMFFKNNRI-PKOBYXMFSA-N 2 2 320.521 3.817 20 0 DHADLP C[C@@H]1CSC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000377403418 337052032 /nfs/dbraw/zinc/05/20/32/337052032.db2.gz SSUQTRUECYNECE-CXAGYDPISA-N 2 2 324.921 3.646 20 0 DHADLP COc1cc([C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1F ZINC000377549787 337054939 /nfs/dbraw/zinc/05/49/39/337054939.db2.gz MPTUSVDNBPTFHK-CZUORRHYSA-N 2 2 317.408 3.565 20 0 DHADLP COc1cc([C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)ccc1F ZINC000377549787 337054940 /nfs/dbraw/zinc/05/49/40/337054940.db2.gz MPTUSVDNBPTFHK-CZUORRHYSA-N 2 2 317.408 3.565 20 0 DHADLP CSC1(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccc(Cl)c2)CC1 ZINC000377652358 337057478 /nfs/dbraw/zinc/05/74/78/337057478.db2.gz QAVXNNGQKLSRPF-ZBFHGGJFSA-N 2 2 324.921 3.818 20 0 DHADLP CSC1(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccc(Cl)c2)CC1 ZINC000377652358 337057479 /nfs/dbraw/zinc/05/74/79/337057479.db2.gz QAVXNNGQKLSRPF-ZBFHGGJFSA-N 2 2 324.921 3.818 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000377711875 337059503 /nfs/dbraw/zinc/05/95/03/337059503.db2.gz CRIIOBPVOUXIBO-OAHLLOKOSA-N 2 2 324.428 3.812 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000377711875 337059504 /nfs/dbraw/zinc/05/95/04/337059504.db2.gz CRIIOBPVOUXIBO-OAHLLOKOSA-N 2 2 324.428 3.812 20 0 DHADLP Fc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1Cl ZINC000377717685 337059507 /nfs/dbraw/zinc/05/95/07/337059507.db2.gz DZUUMSQNQKJSEM-VIFPVBQESA-N 2 2 314.191 3.503 20 0 DHADLP Fc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1Cl ZINC000377717685 337059508 /nfs/dbraw/zinc/05/95/08/337059508.db2.gz DZUUMSQNQKJSEM-VIFPVBQESA-N 2 2 314.191 3.503 20 0 DHADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377735697 337059777 /nfs/dbraw/zinc/05/97/77/337059777.db2.gz CIOSLIHDDUVQGF-QWHCGFSZSA-N 2 2 301.459 3.730 20 0 DHADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377735697 337059778 /nfs/dbraw/zinc/05/97/78/337059778.db2.gz CIOSLIHDDUVQGF-QWHCGFSZSA-N 2 2 301.459 3.730 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000377807925 337061695 /nfs/dbraw/zinc/06/16/95/337061695.db2.gz VENYYRAAIXQFHN-ZQIUZPCESA-N 2 2 319.474 3.778 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccn1CCC(C)C)CCC2 ZINC000377837429 337062266 /nfs/dbraw/zinc/06/22/66/337062266.db2.gz MQADNDRGNXVPFA-QGZVFWFLSA-N 2 2 314.477 3.706 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000377890960 337063547 /nfs/dbraw/zinc/06/35/47/337063547.db2.gz ZJBOKUYSOJKOAM-ZDUSSCGKSA-N 2 2 321.827 3.635 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000377890960 337063548 /nfs/dbraw/zinc/06/35/48/337063548.db2.gz ZJBOKUYSOJKOAM-ZDUSSCGKSA-N 2 2 321.827 3.635 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCc1cccc(C)c1)CCC2 ZINC000378184861 337067861 /nfs/dbraw/zinc/06/78/61/337067861.db2.gz QEBYGMGMXKVLMJ-VQIMIIECSA-N 2 2 311.473 3.988 20 0 DHADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C2CC2)cc1 ZINC000378436760 337072583 /nfs/dbraw/zinc/07/25/83/337072583.db2.gz WFWIOTQOHVYZFF-WMZOPIPTSA-N 2 2 311.429 3.510 20 0 DHADLP c1cn(CCC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)c[nH+]1 ZINC000378441143 337072792 /nfs/dbraw/zinc/07/27/92/337072792.db2.gz GZAJSUXKRYZRED-LJQANCHMSA-N 2 2 323.465 3.982 20 0 DHADLP c1cn(CCC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)c[nH+]1 ZINC000378441143 337072793 /nfs/dbraw/zinc/07/27/93/337072793.db2.gz GZAJSUXKRYZRED-LJQANCHMSA-N 2 2 323.465 3.982 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)[C@@H](C)C2 ZINC000378490682 337074165 /nfs/dbraw/zinc/07/41/65/337074165.db2.gz CUHYNFOEKOIXEW-MGPUTAFESA-N 2 2 309.457 3.593 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+]CCCc2c[nH+]ccc2C)C12CCCC2 ZINC000582513682 337099775 /nfs/dbraw/zinc/09/97/75/337099775.db2.gz NXMXUAIXERJZKQ-ZWKOTPCHSA-N 2 2 302.462 3.650 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000173422908 337135178 /nfs/dbraw/zinc/13/51/78/337135178.db2.gz WFFRHMIQLDNDBN-UWVAXJGDSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000173422908 337135179 /nfs/dbraw/zinc/13/51/79/337135179.db2.gz WFFRHMIQLDNDBN-UWVAXJGDSA-N 2 2 309.457 3.643 20 0 DHADLP CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000173865498 337138664 /nfs/dbraw/zinc/13/86/64/337138664.db2.gz ZDOGAHNORGOSHS-QZTJIDSGSA-N 2 2 315.486 3.978 20 0 DHADLP CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000173865498 337138665 /nfs/dbraw/zinc/13/86/65/337138665.db2.gz ZDOGAHNORGOSHS-QZTJIDSGSA-N 2 2 315.486 3.978 20 0 DHADLP CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000173865485 337138737 /nfs/dbraw/zinc/13/87/37/337138737.db2.gz ZDOGAHNORGOSHS-ROUUACIJSA-N 2 2 315.486 3.978 20 0 DHADLP CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000173865485 337138738 /nfs/dbraw/zinc/13/87/38/337138738.db2.gz ZDOGAHNORGOSHS-ROUUACIJSA-N 2 2 315.486 3.978 20 0 DHADLP CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178199644 337161210 /nfs/dbraw/zinc/16/12/10/337161210.db2.gz OVWBNIIVJQHQQX-WBVHZDCISA-N 2 2 301.434 3.728 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)nc1 ZINC000179111647 337167921 /nfs/dbraw/zinc/16/79/21/337167921.db2.gz ZFUSVWKDPMKZFY-ZDUSSCGKSA-N 2 2 312.804 3.772 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181120879 337180120 /nfs/dbraw/zinc/18/01/20/337180120.db2.gz CMHJNEYICHYIFB-JKSUJKDBSA-N 2 2 313.445 3.697 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181120879 337180121 /nfs/dbraw/zinc/18/01/21/337180121.db2.gz CMHJNEYICHYIFB-JKSUJKDBSA-N 2 2 313.445 3.697 20 0 DHADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000182111217 337186516 /nfs/dbraw/zinc/18/65/16/337186516.db2.gz OBCVCJUTEOBRPA-MRXNPFEDSA-N 2 2 315.392 3.526 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@@H]([NH+]4CCCCC4)C3)[nH+]c2c1 ZINC000460933144 337189382 /nfs/dbraw/zinc/18/93/82/337189382.db2.gz FYTKLYKMIFSHTR-QGZVFWFLSA-N 2 2 309.457 3.916 20 0 DHADLP C[C@H]1C[C@@H](Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC[N@@H+]1C ZINC000182923836 337190834 /nfs/dbraw/zinc/19/08/34/337190834.db2.gz GTRZWKCPPDOCBU-YJBOKZPZSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@H]1C[C@@H](Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC[N@H+]1C ZINC000182923836 337190835 /nfs/dbraw/zinc/19/08/35/337190835.db2.gz GTRZWKCPPDOCBU-YJBOKZPZSA-N 2 2 324.472 3.781 20 0 DHADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000583091295 337239320 /nfs/dbraw/zinc/23/93/20/337239320.db2.gz DGFDLLDAGCTGEV-UHFFFAOYSA-N 2 2 324.255 3.718 20 0 DHADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000583091295 337239321 /nfs/dbraw/zinc/23/93/21/337239321.db2.gz DGFDLLDAGCTGEV-UHFFFAOYSA-N 2 2 324.255 3.718 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)C1CCSCC1 ZINC000186927240 337260505 /nfs/dbraw/zinc/26/05/05/337260505.db2.gz REISOMVRBNILBC-CQSZACIVSA-N 2 2 317.502 3.856 20 0 DHADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187422067 337265831 /nfs/dbraw/zinc/26/58/31/337265831.db2.gz IGDHMIXTVTYRAN-CVEARBPZSA-N 2 2 306.519 3.628 20 0 DHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCSCC1 ZINC000187422067 337265832 /nfs/dbraw/zinc/26/58/32/337265832.db2.gz IGDHMIXTVTYRAN-CVEARBPZSA-N 2 2 306.519 3.628 20 0 DHADLP CC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccc(F)c1 ZINC000187754280 337268028 /nfs/dbraw/zinc/26/80/28/337268028.db2.gz HUBJGVZOEVAURR-QGZVFWFLSA-N 2 2 310.376 3.647 20 0 DHADLP Fc1cc(Cl)ccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000189280043 337278344 /nfs/dbraw/zinc/27/83/44/337278344.db2.gz FEJHFOSVSWNBIX-UHFFFAOYSA-N 2 2 315.779 3.955 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCc4c(O)cccc43)n2c1 ZINC000191662182 337298497 /nfs/dbraw/zinc/29/84/97/337298497.db2.gz NARKTDUQLAIBRG-KRWDZBQOSA-N 2 2 307.397 3.516 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000398071480 337304144 /nfs/dbraw/zinc/30/41/44/337304144.db2.gz ZADGAOSQDGFTPX-OXJNMPFZSA-N 2 2 312.457 3.842 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000398071480 337304145 /nfs/dbraw/zinc/30/41/45/337304145.db2.gz ZADGAOSQDGFTPX-OXJNMPFZSA-N 2 2 312.457 3.842 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000398071485 337304155 /nfs/dbraw/zinc/30/41/55/337304155.db2.gz ZADGAOSQDGFTPX-UZLBHIALSA-N 2 2 312.457 3.842 20 0 DHADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000398071485 337304156 /nfs/dbraw/zinc/30/41/56/337304156.db2.gz ZADGAOSQDGFTPX-UZLBHIALSA-N 2 2 312.457 3.842 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290380 337307376 /nfs/dbraw/zinc/30/73/76/337307376.db2.gz UDZHZPZCPDVQAM-WMLDXEAASA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290380 337307377 /nfs/dbraw/zinc/30/73/77/337307377.db2.gz UDZHZPZCPDVQAM-WMLDXEAASA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290380 337307378 /nfs/dbraw/zinc/30/73/78/337307378.db2.gz UDZHZPZCPDVQAM-WMLDXEAASA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290380 337307379 /nfs/dbraw/zinc/30/73/79/337307379.db2.gz UDZHZPZCPDVQAM-WMLDXEAASA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1sccc1Br ZINC000037229633 337362185 /nfs/dbraw/zinc/36/21/85/337362185.db2.gz MTOIBYWTXJALQN-NSHDSACASA-N 2 2 317.296 3.647 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)C2 ZINC000112540117 337390559 /nfs/dbraw/zinc/39/05/59/337390559.db2.gz WVGKKJMYGMYPEF-IUODEOHRSA-N 2 2 323.362 3.876 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123538563 337399753 /nfs/dbraw/zinc/39/97/53/337399753.db2.gz LBOBCXMXVIQXDV-DOMZBBRYSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123538563 337399754 /nfs/dbraw/zinc/39/97/54/337399754.db2.gz LBOBCXMXVIQXDV-DOMZBBRYSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123538563 337399755 /nfs/dbraw/zinc/39/97/55/337399755.db2.gz LBOBCXMXVIQXDV-DOMZBBRYSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123538563 337399756 /nfs/dbraw/zinc/39/97/56/337399756.db2.gz LBOBCXMXVIQXDV-DOMZBBRYSA-N 2 2 319.474 3.626 20 0 DHADLP COC1([C@@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)CCCC1 ZINC000421803856 337644627 /nfs/dbraw/zinc/64/46/27/337644627.db2.gz RXKZILOPLOLJLG-OAHLLOKOSA-N 2 2 315.461 3.672 20 0 DHADLP COC1([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCCCC1 ZINC000421826337 337646472 /nfs/dbraw/zinc/64/64/72/337646472.db2.gz RXLREDZMEWTYLZ-OAHLLOKOSA-N 2 2 315.461 3.823 20 0 DHADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422761544 337685476 /nfs/dbraw/zinc/68/54/76/337685476.db2.gz MVAKFKZRFJVCKV-HOTGVXAUSA-N 2 2 301.459 3.560 20 0 DHADLP Cc1nc(-c2ccc([C@@H](C)[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)cc2)cs1 ZINC000422808017 337687576 /nfs/dbraw/zinc/68/75/76/337687576.db2.gz PRINSDFRSUNLIG-IIYDPXPESA-N 2 2 315.486 3.910 20 0 DHADLP CSc1ccc(F)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422812826 337687876 /nfs/dbraw/zinc/68/78/76/337687876.db2.gz WZSWEBVENKDAFP-SUMWQHHRSA-N 2 2 318.461 3.596 20 0 DHADLP CC(C)(C)[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422927087 337691802 /nfs/dbraw/zinc/69/18/02/337691802.db2.gz YFTUPVZFGYSGEJ-ZIAGYGMSSA-N 2 2 300.368 3.744 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2COc3ccc(Cl)cc32)c2ccccc21 ZINC000422930317 337692033 /nfs/dbraw/zinc/69/20/33/337692033.db2.gz SVNICGOETLPHNQ-PMPSAXMXSA-N 2 2 300.789 3.508 20 0 DHADLP C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H]1CCC[NH2+]1 ZINC000423013219 337695513 /nfs/dbraw/zinc/69/55/13/337695513.db2.gz FLZDPKZRWYTEKE-HFBAOOFYSA-N 2 2 312.379 3.887 20 0 DHADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(Oc2cccnc2)cc1 ZINC000423118590 337700440 /nfs/dbraw/zinc/70/04/40/337700440.db2.gz BLFNJFBKINSUCL-SPYBWZPUSA-N 2 2 311.429 3.665 20 0 DHADLP CC[C@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423128653 337700744 /nfs/dbraw/zinc/70/07/44/337700744.db2.gz WBYMOSRNFTWASJ-PMPSAXMXSA-N 2 2 314.395 3.528 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1nc2ccc(Cl)cc2n1C ZINC000423183111 337702819 /nfs/dbraw/zinc/70/28/19/337702819.db2.gz RDWRDFMBCQFRQB-LBPRGKRZSA-N 2 2 320.868 3.539 20 0 DHADLP [NH3+]C1(C[NH2+][C@H](c2ccccc2)c2ccccn2)CCCCCC1 ZINC000423198840 337703620 /nfs/dbraw/zinc/70/36/20/337703620.db2.gz IFBJSGZQAHXIAF-LJQANCHMSA-N 2 2 309.457 3.812 20 0 DHADLP C[NH2+]CCC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000423201858 337703738 /nfs/dbraw/zinc/70/37/38/337703738.db2.gz PYGZYUIMHYNRNS-SFHVURJKSA-N 2 2 318.848 3.637 20 0 DHADLP Cc1ccc(C)c([C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2Cl)c1 ZINC000423302141 337711055 /nfs/dbraw/zinc/71/10/55/337711055.db2.gz IXVHHXXKTCQSGA-LJQANCHMSA-N 2 2 314.860 3.855 20 0 DHADLP [NH3+]C1(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CCC1 ZINC000423331383 337712468 /nfs/dbraw/zinc/71/24/68/337712468.db2.gz QHLLLQUHHSIHKU-UHFFFAOYSA-N 2 2 302.368 3.525 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1OCc1ccccc1 ZINC000423336785 337712682 /nfs/dbraw/zinc/71/26/82/337712682.db2.gz VBTRIFNQCRPSNY-MRXNPFEDSA-N 2 2 310.441 3.798 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000423393951 337718641 /nfs/dbraw/zinc/71/86/41/337718641.db2.gz ZARSEEWICRYASU-VXGBXAGGSA-N 2 2 321.465 3.906 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c2ccccc2Cl)cc1 ZINC000423437631 337719093 /nfs/dbraw/zinc/71/90/93/337719093.db2.gz GJGOKEITJSRBMK-VBHSOAQHSA-N 2 2 318.848 3.763 20 0 DHADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000423482978 337721940 /nfs/dbraw/zinc/72/19/40/337721940.db2.gz XQAFJGWXEQYTBS-SKDRFNHKSA-N 2 2 303.233 3.534 20 0 DHADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423482071 337721944 /nfs/dbraw/zinc/72/19/44/337721944.db2.gz XDIFGJWDSCDVFC-YPMHNXCESA-N 2 2 308.372 3.829 20 0 DHADLP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000423533390 337724739 /nfs/dbraw/zinc/72/47/39/337724739.db2.gz SWMHPXHYHUHOBL-RCCFBDPRSA-N 2 2 310.466 3.569 20 0 DHADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423535315 337724817 /nfs/dbraw/zinc/72/48/17/337724817.db2.gz XKYXEJSFSDSUPO-ORYQWCPZSA-N 2 2 324.468 3.880 20 0 DHADLP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000423909582 337729516 /nfs/dbraw/zinc/72/95/16/337729516.db2.gz QMZASSUVQYLIAR-GOSISDBHSA-N 2 2 313.401 3.638 20 0 DHADLP CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C)C1CCOCC1 ZINC000527197907 337737378 /nfs/dbraw/zinc/73/73/78/337737378.db2.gz DXNMGPHDZUXQHV-LSTHTHJFSA-N 2 2 318.505 3.781 20 0 DHADLP COc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC23CC3)[NH+]2CCCC2)cc1 ZINC000527843495 337768234 /nfs/dbraw/zinc/76/82/34/337768234.db2.gz DNPRCSDEWZSBFS-SNRMKQJTSA-N 2 2 314.473 3.610 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1csc(-c2ccccc2F)n1 ZINC000424373670 337827907 /nfs/dbraw/zinc/82/79/07/337827907.db2.gz KAEYFTVFVACGCK-KCPJHIHWSA-N 2 2 319.449 3.870 20 0 DHADLP Fc1ccccc1C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000537180783 337906384 /nfs/dbraw/zinc/90/63/84/337906384.db2.gz USGWZFOLOKYELW-UHFFFAOYSA-N 2 2 309.388 3.853 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093372615 337915788 /nfs/dbraw/zinc/91/57/88/337915788.db2.gz QWPUNOQTSUHLRZ-CQSZACIVSA-N 2 2 321.534 3.793 20 0 DHADLP CC(C)O[C@@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000428395202 338050073 /nfs/dbraw/zinc/05/00/73/338050073.db2.gz YWRXDSXJPGHBGU-IBGZPJMESA-N 2 2 313.445 3.755 20 0 DHADLP COC1(C[C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CCC1 ZINC000429368485 338078708 /nfs/dbraw/zinc/07/87/08/338078708.db2.gz WRSPISAPDFNYDM-MJGOQNOKSA-N 2 2 316.489 3.761 20 0 DHADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Oc4ccccc4)o3)C2)C1 ZINC000430115040 338097624 /nfs/dbraw/zinc/09/76/24/338097624.db2.gz UMEFTRMKRHFUPO-LJQANCHMSA-N 2 2 312.413 3.600 20 0 DHADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Oc4ccccc4)o3)C2)C1 ZINC000430115040 338097625 /nfs/dbraw/zinc/09/76/25/338097625.db2.gz UMEFTRMKRHFUPO-LJQANCHMSA-N 2 2 312.413 3.600 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(Oc4ccccc4)o3)C2)C1 ZINC000430115040 338097626 /nfs/dbraw/zinc/09/76/26/338097626.db2.gz UMEFTRMKRHFUPO-LJQANCHMSA-N 2 2 312.413 3.600 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)C1 ZINC000430115040 338097627 /nfs/dbraw/zinc/09/76/27/338097627.db2.gz UMEFTRMKRHFUPO-LJQANCHMSA-N 2 2 312.413 3.600 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2c(F)cc(F)c(F)c2F)c[nH+]1 ZINC000430752821 338113620 /nfs/dbraw/zinc/11/36/20/338113620.db2.gz FFSVNZZKMVQZQA-UHFFFAOYSA-N 2 2 312.310 3.669 20 0 DHADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000430925966 338119056 /nfs/dbraw/zinc/11/90/56/338119056.db2.gz MPYSDJHDVXXHOF-AWEZNQCLSA-N 2 2 315.486 3.714 20 0 DHADLP CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000430925966 338119057 /nfs/dbraw/zinc/11/90/57/338119057.db2.gz MPYSDJHDVXXHOF-AWEZNQCLSA-N 2 2 315.486 3.714 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432231966 338149316 /nfs/dbraw/zinc/14/93/16/338149316.db2.gz KJSVVTISSJSIOO-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432231966 338149317 /nfs/dbraw/zinc/14/93/17/338149317.db2.gz KJSVVTISSJSIOO-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP Clc1scc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1Cl ZINC000432252743 338151108 /nfs/dbraw/zinc/15/11/08/338151108.db2.gz ZYBUXTPHYFQZHA-UHFFFAOYSA-N 2 2 305.274 3.771 20 0 DHADLP FC(F)(F)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000432744259 338165566 /nfs/dbraw/zinc/16/55/66/338165566.db2.gz GMRCBWINFGERPH-UHFFFAOYSA-N 2 2 315.364 3.801 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000432790081 338167851 /nfs/dbraw/zinc/16/78/51/338167851.db2.gz VJUWPYCVXVDCSJ-INIZCTEOSA-N 2 2 314.429 3.988 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000432790081 338167852 /nfs/dbraw/zinc/16/78/52/338167852.db2.gz VJUWPYCVXVDCSJ-INIZCTEOSA-N 2 2 314.429 3.988 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434981993 338228502 /nfs/dbraw/zinc/22/85/02/338228502.db2.gz MZTZPACUEAIKLZ-GFCCVEGCSA-N 2 2 321.371 3.952 20 0 DHADLP Cc1ccc([C@@]2(C)CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000435033873 338230115 /nfs/dbraw/zinc/23/01/15/338230115.db2.gz BMELGCQZYFZOFK-FQEVSTJZSA-N 2 2 305.425 3.806 20 0 DHADLP Cc1ccc([C@@]2(C)CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1 ZINC000435033873 338230116 /nfs/dbraw/zinc/23/01/16/338230116.db2.gz BMELGCQZYFZOFK-FQEVSTJZSA-N 2 2 305.425 3.806 20 0 DHADLP CC[N@H+](Cc1ncc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435389313 338238704 /nfs/dbraw/zinc/23/87/04/338238704.db2.gz JYRVNYDMUNUIBG-MRXNPFEDSA-N 2 2 315.486 3.774 20 0 DHADLP CC[N@@H+](Cc1ncc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435389313 338238705 /nfs/dbraw/zinc/23/87/05/338238705.db2.gz JYRVNYDMUNUIBG-MRXNPFEDSA-N 2 2 315.486 3.774 20 0 DHADLP CC[N@H+](Cc1csc(-c2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435395318 338239000 /nfs/dbraw/zinc/23/90/00/338239000.db2.gz SEOQPESUADXGRH-KRWDZBQOSA-N 2 2 315.486 3.774 20 0 DHADLP CC[N@@H+](Cc1csc(-c2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435395318 338239001 /nfs/dbraw/zinc/23/90/01/338239001.db2.gz SEOQPESUADXGRH-KRWDZBQOSA-N 2 2 315.486 3.774 20 0 DHADLP COCCC1(C[NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)CCCCC1 ZINC000436276864 338265177 /nfs/dbraw/zinc/26/51/77/338265177.db2.gz VRBAWPISJVOJBB-MSOLQXFVSA-N 2 2 310.526 3.826 20 0 DHADLP COCCC1(C[NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)CCCCC1 ZINC000436276864 338265178 /nfs/dbraw/zinc/26/51/78/338265178.db2.gz VRBAWPISJVOJBB-MSOLQXFVSA-N 2 2 310.526 3.826 20 0 DHADLP CC1(C)CCc2ccccc2[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000436282594 338265580 /nfs/dbraw/zinc/26/55/80/338265580.db2.gz HQPZMROOQGMKPA-FUHWJXTLSA-N 2 2 309.457 3.891 20 0 DHADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000437772407 338320781 /nfs/dbraw/zinc/32/07/81/338320781.db2.gz ICZZDGGECOTKLU-ICSRJNTNSA-N 2 2 309.457 3.984 20 0 DHADLP CC(C)[C@H]1CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000438342359 338340464 /nfs/dbraw/zinc/34/04/64/338340464.db2.gz RLIROKITYJMOTP-HNNXBMFYSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[C@H]1CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000438342359 338340465 /nfs/dbraw/zinc/34/04/65/338340465.db2.gz RLIROKITYJMOTP-HNNXBMFYSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[C@H]1CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000438342359 338340466 /nfs/dbraw/zinc/34/04/66/338340466.db2.gz RLIROKITYJMOTP-HNNXBMFYSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[C@H]1CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000438342359 338340467 /nfs/dbraw/zinc/34/04/67/338340467.db2.gz RLIROKITYJMOTP-HNNXBMFYSA-N 2 2 321.534 3.778 20 0 DHADLP FC(F)(F)c1ccc([C@@H]2CC[C@H]([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000442636326 338426424 /nfs/dbraw/zinc/42/64/24/338426424.db2.gz SNIJNMJKJOUXGU-ZBFHGGJFSA-N 2 2 323.362 3.828 20 0 DHADLP CSc1ccccc1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000442639681 338426475 /nfs/dbraw/zinc/42/64/75/338426475.db2.gz AANOZLGVYNCEBK-JYJNAYRXSA-N 2 2 322.518 3.558 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000449017126 338583794 /nfs/dbraw/zinc/58/37/94/338583794.db2.gz HBUNVNXYXZQKBP-UHFFFAOYSA-N 2 2 321.424 3.951 20 0 DHADLP COCC1CCC([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000449141901 338596502 /nfs/dbraw/zinc/59/65/02/338596502.db2.gz RMDGKYVGWWMYAZ-LRYGQEGESA-N 2 2 318.505 3.911 20 0 DHADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1)[NH+](C)C ZINC000449268665 338608488 /nfs/dbraw/zinc/60/84/88/338608488.db2.gz ILLFXIGDLIFQEE-AOIWGVFYSA-N 2 2 316.489 3.678 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3C[C@@H](C)O[C@H]3C)ccc2n1C1CC1 ZINC000449315028 338611927 /nfs/dbraw/zinc/61/19/27/338611927.db2.gz SSHQYLNWOPZADZ-DVOMOZLQSA-N 2 2 313.445 3.589 20 0 DHADLP CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000449469185 338627894 /nfs/dbraw/zinc/62/78/94/338627894.db2.gz MAAZUEOLUYHVRC-GOSISDBHSA-N 2 2 303.494 3.850 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1 ZINC000449572697 338638743 /nfs/dbraw/zinc/63/87/43/338638743.db2.gz NYJQKFYGKDKEOP-SUNYJGFJSA-N 2 2 321.428 3.734 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000449764344 338650694 /nfs/dbraw/zinc/65/06/94/338650694.db2.gz AOCKQNVYMHWJRO-ZIFCJYIRSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000449765497 338650911 /nfs/dbraw/zinc/65/09/11/338650911.db2.gz IRSZWMHKVFJOJG-IXDOHACOSA-N 2 2 301.478 3.855 20 0 DHADLP CCc1ccc([C@@H](C[NH2+][C@@H](CC)c2ccncc2)[NH+](C)C)cc1 ZINC000453061909 338789043 /nfs/dbraw/zinc/78/90/43/338789043.db2.gz SWGUBNHGWFHIKH-VQTJNVASSA-N 2 2 311.473 3.988 20 0 DHADLP CC[C@@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)c1ccncc1 ZINC000453066217 338789642 /nfs/dbraw/zinc/78/96/42/338789642.db2.gz YBQCSQFDXQFXEV-QGZVFWFLSA-N 2 2 308.429 3.871 20 0 DHADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccncc1 ZINC000453087017 338792052 /nfs/dbraw/zinc/79/20/52/338792052.db2.gz YFKVBAUCKRGYHV-IBGZPJMESA-N 2 2 306.413 3.567 20 0 DHADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@]1(C)CCCO1 ZINC000453233073 338811518 /nfs/dbraw/zinc/81/15/18/338811518.db2.gz JKCJQCFGLBIIME-DYVFJYSZSA-N 2 2 319.836 3.573 20 0 DHADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1=CCCC1 ZINC000453426733 338841514 /nfs/dbraw/zinc/84/15/14/338841514.db2.gz OPOGULZUCSERJD-UHFFFAOYSA-N 2 2 313.489 3.772 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459317277 339021277 /nfs/dbraw/zinc/02/12/77/339021277.db2.gz BREXMQAOKMUDFO-LBPRGKRZSA-N 2 2 311.351 3.674 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459317277 339021278 /nfs/dbraw/zinc/02/12/78/339021278.db2.gz BREXMQAOKMUDFO-LBPRGKRZSA-N 2 2 311.351 3.674 20 0 DHADLP c1ccc(NC[C@H]2CC[N@H+](Cc3ccc(C4CC4)cc3)C2)[nH+]c1 ZINC000459321488 339021601 /nfs/dbraw/zinc/02/16/01/339021601.db2.gz HAAIKAQZQSGFOU-QGZVFWFLSA-N 2 2 307.441 3.893 20 0 DHADLP c1ccc(NC[C@H]2CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)[nH+]c1 ZINC000459321488 339021602 /nfs/dbraw/zinc/02/16/02/339021602.db2.gz HAAIKAQZQSGFOU-QGZVFWFLSA-N 2 2 307.441 3.893 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459329562 339022092 /nfs/dbraw/zinc/02/20/92/339022092.db2.gz AMJHRRXPTRDIPA-FHWLQOOXSA-N 2 2 309.457 3.886 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459329562 339022093 /nfs/dbraw/zinc/02/20/93/339022093.db2.gz AMJHRRXPTRDIPA-FHWLQOOXSA-N 2 2 309.457 3.886 20 0 DHADLP C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1CCc1c[nH+]cn1C ZINC000459378136 339025724 /nfs/dbraw/zinc/02/57/24/339025724.db2.gz YUTQERPJTIRUCM-LLVKDONJSA-N 2 2 324.255 3.889 20 0 DHADLP C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459378136 339025725 /nfs/dbraw/zinc/02/57/25/339025725.db2.gz YUTQERPJTIRUCM-LLVKDONJSA-N 2 2 324.255 3.889 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC4(C3)CCCCC4)sc2C1 ZINC000459574524 339036792 /nfs/dbraw/zinc/03/67/92/339036792.db2.gz AYQHUKGYUIXMHS-UHFFFAOYSA-N 2 2 319.518 3.676 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC4(C3)CCCCC4)sc2C1 ZINC000459574524 339036793 /nfs/dbraw/zinc/03/67/93/339036793.db2.gz AYQHUKGYUIXMHS-UHFFFAOYSA-N 2 2 319.518 3.676 20 0 DHADLP CCC1(CC)C[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000459600088 339038128 /nfs/dbraw/zinc/03/81/28/339038128.db2.gz RVDHPCCTEDNKRK-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CCC1(CC)C[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000459600088 339038129 /nfs/dbraw/zinc/03/81/29/339038129.db2.gz RVDHPCCTEDNKRK-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459647822 339040262 /nfs/dbraw/zinc/04/02/62/339040262.db2.gz KLRFNDRWIMQHOE-CYBMUJFWSA-N 2 2 301.459 3.619 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459655249 339040826 /nfs/dbraw/zinc/04/08/26/339040826.db2.gz FUPZUWPRQNZDAC-MDWZMJQESA-N 2 2 323.362 3.675 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)c1 ZINC000459659479 339041063 /nfs/dbraw/zinc/04/10/63/339041063.db2.gz KDFSDIQGSHLODL-YJBOKZPZSA-N 2 2 317.864 3.617 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000459665569 339041562 /nfs/dbraw/zinc/04/15/62/339041562.db2.gz QNLGGLPSIHWLSC-DOTOQJQBSA-N 2 2 303.837 3.542 20 0 DHADLP CC(C)[C@@H]1[N@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCCCC2 ZINC000459784016 339048414 /nfs/dbraw/zinc/04/84/14/339048414.db2.gz NVGUMXVHDHELEW-KRWDZBQOSA-N 2 2 321.534 3.995 20 0 DHADLP CC(C)[C@@H]1[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCCCC2 ZINC000459784016 339048415 /nfs/dbraw/zinc/04/84/15/339048415.db2.gz NVGUMXVHDHELEW-KRWDZBQOSA-N 2 2 321.534 3.995 20 0 DHADLP CCN(CC[NH2+]Cc1c[nH+]c2c(C)cccn12)c1cccc(C)c1 ZINC000462683019 339083973 /nfs/dbraw/zinc/08/39/73/339083973.db2.gz SMNJUYQJBWWRSU-UHFFFAOYSA-N 2 2 322.456 3.567 20 0 DHADLP C[C@H]1CC[C@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000462750237 339086683 /nfs/dbraw/zinc/08/66/83/339086683.db2.gz NBQMLBJFKPVJDE-IRXDYDNUSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@H]1CC[C@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000462750237 339086684 /nfs/dbraw/zinc/08/66/84/339086684.db2.gz NBQMLBJFKPVJDE-IRXDYDNUSA-N 2 2 308.510 3.578 20 0 DHADLP CCc1ccc(-c2ccc(C[NH2+][C@@H](C)CC[NH+](C)C)o2)cc1 ZINC000465009220 339165350 /nfs/dbraw/zinc/16/53/50/339165350.db2.gz CEBDTEGYCOZNSB-HNNXBMFYSA-N 2 2 300.446 3.939 20 0 DHADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000466477444 339206698 /nfs/dbraw/zinc/20/66/98/339206698.db2.gz LWWGUKJVMRGAGC-XNIJJKJLSA-N 2 2 313.272 3.779 20 0 DHADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000466477444 339206699 /nfs/dbraw/zinc/20/66/99/339206699.db2.gz LWWGUKJVMRGAGC-XNIJJKJLSA-N 2 2 313.272 3.779 20 0 DHADLP CCCCOc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1Cl ZINC000466915241 339221330 /nfs/dbraw/zinc/22/13/30/339221330.db2.gz HWRDKYGYWXVTMV-CZUORRHYSA-N 2 2 310.869 3.559 20 0 DHADLP CCCCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1Cl ZINC000466915241 339221331 /nfs/dbraw/zinc/22/13/31/339221331.db2.gz HWRDKYGYWXVTMV-CZUORRHYSA-N 2 2 310.869 3.559 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000467355961 339233626 /nfs/dbraw/zinc/23/36/26/339233626.db2.gz QQKFPNWPJFUNEL-CHWSQXEVSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000467355961 339233627 /nfs/dbraw/zinc/23/36/27/339233627.db2.gz QQKFPNWPJFUNEL-CHWSQXEVSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000469849240 339302630 /nfs/dbraw/zinc/30/26/30/339302630.db2.gz QVGOQALTSJJYAA-RYUDHWBXSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000469849240 339302631 /nfs/dbraw/zinc/30/26/31/339302631.db2.gz QVGOQALTSJJYAA-RYUDHWBXSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000470353879 339318006 /nfs/dbraw/zinc/31/80/06/339318006.db2.gz KFOMLGQZGDSLOK-NQYYFHDYSA-N 2 2 309.457 3.760 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470960015 339333132 /nfs/dbraw/zinc/33/31/32/339333132.db2.gz OCIOAOOAYHDYLC-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470960015 339333133 /nfs/dbraw/zinc/33/31/33/339333133.db2.gz OCIOAOOAYHDYLC-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470960015 339333134 /nfs/dbraw/zinc/33/31/34/339333134.db2.gz OCIOAOOAYHDYLC-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470960015 339333135 /nfs/dbraw/zinc/33/31/35/339333135.db2.gz OCIOAOOAYHDYLC-HIFRSBDPSA-N 2 2 308.416 3.690 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCC[NH+]2CCCCC2)c2ccccn2)cc1 ZINC000471077465 339336576 /nfs/dbraw/zinc/33/65/76/339336576.db2.gz FEMSJFBIEGWUFF-OAQYLSRUSA-N 2 2 323.484 3.945 20 0 DHADLP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000471585731 339348176 /nfs/dbraw/zinc/34/81/76/339348176.db2.gz OBCPFXAXKICXOF-JJXUHFIVSA-N 2 2 324.468 3.964 20 0 DHADLP COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471585732 339348210 /nfs/dbraw/zinc/34/82/10/339348210.db2.gz OBCPFXAXKICXOF-MFMILTCTSA-N 2 2 324.468 3.964 20 0 DHADLP C[C@H](CCC(F)(F)F)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471619174 339349785 /nfs/dbraw/zinc/34/97/85/339349785.db2.gz ODLIXCXGRISYAS-UMVBOHGHSA-N 2 2 302.384 3.998 20 0 DHADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000472081243 339363178 /nfs/dbraw/zinc/36/31/78/339363178.db2.gz ZDCCTPFOVBOVMQ-KXBFYZLASA-N 2 2 300.421 3.915 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000474031123 339397932 /nfs/dbraw/zinc/39/79/32/339397932.db2.gz GZSYEPBLOPWPRA-CRAIPNDOSA-N 2 2 324.459 3.963 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474480513 339416935 /nfs/dbraw/zinc/41/69/35/339416935.db2.gz ULKJNQAGTQTGRV-QNWHQSFQSA-N 2 2 309.866 3.768 20 0 DHADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000475086541 339438322 /nfs/dbraw/zinc/43/83/22/339438322.db2.gz HJXDBKUKZKSNOT-RWMBFGLXSA-N 2 2 312.910 3.967 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000479779816 339548549 /nfs/dbraw/zinc/54/85/49/339548549.db2.gz RXRRDFUMAJXKJX-GFCCVEGCSA-N 2 2 318.383 3.810 20 0 DHADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000480334937 339569641 /nfs/dbraw/zinc/56/96/41/339569641.db2.gz NYIKYAKZVQJLCY-HOCLYGCPSA-N 2 2 316.411 3.870 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000481963487 339618044 /nfs/dbraw/zinc/61/80/44/339618044.db2.gz QYMRWASEHDWDQI-OXQOHEQNSA-N 2 2 312.457 3.957 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1([NH+](C)C)CCC1 ZINC000481991190 339618746 /nfs/dbraw/zinc/61/87/46/339618746.db2.gz NYQHDIJCHAIXTD-ZDUSSCGKSA-N 2 2 314.395 3.710 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000482976735 339648984 /nfs/dbraw/zinc/64/89/84/339648984.db2.gz XVXHASQYCLUFAR-IBGZPJMESA-N 2 2 302.437 3.763 20 0 DHADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000483156777 339654590 /nfs/dbraw/zinc/65/45/90/339654590.db2.gz QRZAUNIESPKHEK-UHFFFAOYSA-N 2 2 320.383 3.751 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c(F)c1 ZINC000483856034 339676784 /nfs/dbraw/zinc/67/67/84/339676784.db2.gz FIVVGOZIIJLMCU-HNNXBMFYSA-N 2 2 310.457 3.994 20 0 DHADLP Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000494415016 339948634 /nfs/dbraw/zinc/94/86/34/339948634.db2.gz QKOREXHJXAHBCE-HXUWFJFHSA-N 2 2 317.436 3.963 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@H]1C ZINC000494881235 339963481 /nfs/dbraw/zinc/96/34/81/339963481.db2.gz VZCGMHIAXRFUDL-GLJUWKHASA-N 2 2 306.881 3.939 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C[N@@H+]1C1CC1 ZINC000499697314 340042923 /nfs/dbraw/zinc/04/29/23/340042923.db2.gz LOTDCQSPDVKBSX-XSCHDIRWSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C[N@H+]1C1CC1 ZINC000499697314 340042924 /nfs/dbraw/zinc/04/29/24/340042924.db2.gz LOTDCQSPDVKBSX-XSCHDIRWSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000500241554 340053841 /nfs/dbraw/zinc/05/38/41/340053841.db2.gz JCBATCQXKCGKSF-YOEHRIQHSA-N 2 2 308.416 3.817 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000500241554 340053842 /nfs/dbraw/zinc/05/38/42/340053842.db2.gz JCBATCQXKCGKSF-YOEHRIQHSA-N 2 2 308.416 3.817 20 0 DHADLP CC[N@H+](C)CC[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000501388235 340079772 /nfs/dbraw/zinc/07/97/72/340079772.db2.gz OFQGTDHHYDTTAH-QBFSEMIESA-N 2 2 300.368 3.650 20 0 DHADLP CC[N@@H+](C)CC[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000501388235 340079773 /nfs/dbraw/zinc/07/97/73/340079773.db2.gz OFQGTDHHYDTTAH-QBFSEMIESA-N 2 2 300.368 3.650 20 0 DHADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000502696268 340111159 /nfs/dbraw/zinc/11/11/59/340111159.db2.gz IYTLTAXKGFWZOK-XUVXKRRUSA-N 2 2 316.489 3.618 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000507467123 340221098 /nfs/dbraw/zinc/22/10/98/340221098.db2.gz DXBKTCPFNMILJR-QGZVFWFLSA-N 2 2 323.484 3.959 20 0 DHADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000508531859 340245696 /nfs/dbraw/zinc/24/56/96/340245696.db2.gz BEIQRYHVRFLBRP-LBPRGKRZSA-N 2 2 318.358 3.618 20 0 DHADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000508531859 340245697 /nfs/dbraw/zinc/24/56/97/340245697.db2.gz BEIQRYHVRFLBRP-LBPRGKRZSA-N 2 2 318.358 3.618 20 0 DHADLP C[NH+](Cc1cc(C(F)(F)F)ccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000508531859 340245698 /nfs/dbraw/zinc/24/56/98/340245698.db2.gz BEIQRYHVRFLBRP-LBPRGKRZSA-N 2 2 318.358 3.618 20 0 DHADLP C[NH+](Cc1cc(C(F)(F)F)ccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000508531859 340245699 /nfs/dbraw/zinc/24/56/99/340245699.db2.gz BEIQRYHVRFLBRP-LBPRGKRZSA-N 2 2 318.358 3.618 20 0 DHADLP C/C(=C\c1ccccc1)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000510558051 340302753 /nfs/dbraw/zinc/30/27/53/340302753.db2.gz IDWDXSZXVUNUAY-NBVRZTHBSA-N 2 2 307.441 3.616 20 0 DHADLP CC[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510648514 340304962 /nfs/dbraw/zinc/30/49/62/340304962.db2.gz FTGNYIMGFKOHEG-CYBMUJFWSA-N 2 2 302.384 3.568 20 0 DHADLP CC[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510648514 340304963 /nfs/dbraw/zinc/30/49/63/340304963.db2.gz FTGNYIMGFKOHEG-CYBMUJFWSA-N 2 2 302.384 3.568 20 0 DHADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@@H]1CCCF)Cc1ccccc1 ZINC000510717037 340307883 /nfs/dbraw/zinc/30/78/83/340307883.db2.gz GIQLQFLZBFIEBZ-QYZOEREBSA-N 2 2 306.469 3.667 20 0 DHADLP Cc1cccc([C@H]([NH2+]CCC[NH+](C)C)c2cccc(F)c2)c1 ZINC000510755611 340309859 /nfs/dbraw/zinc/30/98/59/340309859.db2.gz POHJCOQSRZUFIW-IBGZPJMESA-N 2 2 300.421 3.765 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000510960634 340316354 /nfs/dbraw/zinc/31/63/54/340316354.db2.gz RRYAYOROKZCMHZ-MOPGFXCFSA-N 2 2 318.505 3.692 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000510960634 340316355 /nfs/dbraw/zinc/31/63/55/340316355.db2.gz RRYAYOROKZCMHZ-MOPGFXCFSA-N 2 2 318.505 3.692 20 0 DHADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1COC ZINC000511048064 340319346 /nfs/dbraw/zinc/31/93/46/340319346.db2.gz WSIDOIAQNPEAPV-QUHSPFQSSA-N 2 2 316.489 3.700 20 0 DHADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1COC ZINC000511048064 340319347 /nfs/dbraw/zinc/31/93/47/340319347.db2.gz WSIDOIAQNPEAPV-QUHSPFQSSA-N 2 2 316.489 3.700 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000303374950 340323940 /nfs/dbraw/zinc/32/39/40/340323940.db2.gz GTMCOWBGARIKFM-VQIMIIECSA-N 2 2 310.441 3.620 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000303374950 340323941 /nfs/dbraw/zinc/32/39/41/340323941.db2.gz GTMCOWBGARIKFM-VQIMIIECSA-N 2 2 310.441 3.620 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000511648796 340333793 /nfs/dbraw/zinc/33/37/93/340333793.db2.gz NROABCXPNIRKKZ-YGFYOVKCSA-N 2 2 304.865 3.658 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000511648796 340333794 /nfs/dbraw/zinc/33/37/94/340333794.db2.gz NROABCXPNIRKKZ-YGFYOVKCSA-N 2 2 304.865 3.658 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(Cl)o3)C2)CC1 ZINC000512177724 340351048 /nfs/dbraw/zinc/35/10/48/340351048.db2.gz HSAGUFAIRICTHN-OAHLLOKOSA-N 2 2 310.869 3.877 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(Cl)o3)C2)CC1 ZINC000512177724 340351049 /nfs/dbraw/zinc/35/10/49/340351049.db2.gz HSAGUFAIRICTHN-OAHLLOKOSA-N 2 2 310.869 3.877 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000512177623 340351077 /nfs/dbraw/zinc/35/10/77/340351077.db2.gz GSMVZVXJHDTWKW-INIZCTEOSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000512177623 340351078 /nfs/dbraw/zinc/35/10/78/340351078.db2.gz GSMVZVXJHDTWKW-INIZCTEOSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000512181721 340351272 /nfs/dbraw/zinc/35/12/72/340351272.db2.gz PYSYMURJNLJPEQ-MRXNPFEDSA-N 2 2 322.443 3.909 20 0 DHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000512181721 340351273 /nfs/dbraw/zinc/35/12/73/340351273.db2.gz PYSYMURJNLJPEQ-MRXNPFEDSA-N 2 2 322.443 3.909 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000512406754 340360721 /nfs/dbraw/zinc/36/07/21/340360721.db2.gz SZSMHVZORRVQRB-INIZCTEOSA-N 2 2 312.457 3.792 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000512622361 340369601 /nfs/dbraw/zinc/36/96/01/340369601.db2.gz LUMIWDYNCQBHAP-QINHECLXSA-N 2 2 312.457 3.604 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000173788452 340374197 /nfs/dbraw/zinc/37/41/97/340374197.db2.gz YGJYXLYHBCFBCD-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000173788452 340374198 /nfs/dbraw/zinc/37/41/98/340374198.db2.gz YGJYXLYHBCFBCD-AWEZNQCLSA-N 2 2 312.860 3.685 20 0 DHADLP CC(C)COc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513162157 340395417 /nfs/dbraw/zinc/39/54/17/340395417.db2.gz WQMSYSKATIBNIL-DFNIBXOVSA-N 2 2 316.489 3.778 20 0 DHADLP CC(C)COc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513162157 340395418 /nfs/dbraw/zinc/39/54/18/340395418.db2.gz WQMSYSKATIBNIL-DFNIBXOVSA-N 2 2 316.489 3.778 20 0 DHADLP CC(C)COc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513162157 340395419 /nfs/dbraw/zinc/39/54/19/340395419.db2.gz WQMSYSKATIBNIL-DFNIBXOVSA-N 2 2 316.489 3.778 20 0 DHADLP CC(C)COc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513162157 340395420 /nfs/dbraw/zinc/39/54/20/340395420.db2.gz WQMSYSKATIBNIL-DFNIBXOVSA-N 2 2 316.489 3.778 20 0 DHADLP Fc1ccc(F)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000513234627 340398608 /nfs/dbraw/zinc/39/86/08/340398608.db2.gz ZRMGGJJPAVIKBZ-UHFFFAOYSA-N 2 2 308.416 3.852 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)c2cccs2)CC1 ZINC000192451781 340567055 /nfs/dbraw/zinc/56/70/55/340567055.db2.gz GNJUHXKUZQRVNX-GVDBMIGSSA-N 2 2 322.518 3.536 20 0 DHADLP CSCCCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000230391789 340619783 /nfs/dbraw/zinc/61/97/83/340619783.db2.gz BHYZBSDSXJGBCD-UHFFFAOYSA-N 2 2 307.507 3.563 20 0 DHADLP Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000237555913 340672056 /nfs/dbraw/zinc/67/20/56/340672056.db2.gz CCADKDUKUDWVNS-QGZVFWFLSA-N 2 2 305.425 3.902 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529553610 340762932 /nfs/dbraw/zinc/76/29/32/340762932.db2.gz ILOBZZHODTWQRO-UHFFFAOYSA-N 2 2 321.424 3.915 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1OC(F)F ZINC000530225882 340783128 /nfs/dbraw/zinc/78/31/28/340783128.db2.gz XYHCRWSTYMIPAA-UKRRQHHQSA-N 2 2 310.388 3.613 20 0 DHADLP CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222111 340783132 /nfs/dbraw/zinc/78/31/32/340783132.db2.gz QHMBVMKFAVCRHW-CRAIPNDOSA-N 2 2 302.462 3.657 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530242804 340783554 /nfs/dbraw/zinc/78/35/54/340783554.db2.gz DIFUHBWFUODWFD-HXUWFJFHSA-N 2 2 322.452 3.736 20 0 DHADLP CC(C)CO[C@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1(C)C ZINC000538394863 340820729 /nfs/dbraw/zinc/82/07/29/340820729.db2.gz RWNIWJTVLGWOSP-SJORKVTESA-N 2 2 319.493 3.703 20 0 DHADLP CCCC[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538589117 340834394 /nfs/dbraw/zinc/83/43/94/340834394.db2.gz VXAOABOZTZUBPX-OAHLLOKOSA-N 2 2 304.482 3.603 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]CCCc2ccsc2)[C@@H]1c1ccccc1 ZINC000564256109 341010192 /nfs/dbraw/zinc/01/01/92/341010192.db2.gz OWIDVCRBIVFNQF-ROUUACIJSA-N 2 2 300.471 3.716 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]CCCc2ccsc2)[C@@H]1c1ccccc1 ZINC000564256109 341010193 /nfs/dbraw/zinc/01/01/93/341010193.db2.gz OWIDVCRBIVFNQF-ROUUACIJSA-N 2 2 300.471 3.716 20 0 DHADLP CCOc1ccccc1[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130669152 341038706 /nfs/dbraw/zinc/03/87/06/341038706.db2.gz ACLJCRZAMLUVOD-HNNXBMFYSA-N 2 2 309.413 3.626 20 0 DHADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]2CCCC[C@@H]21 ZINC000544372301 341078804 /nfs/dbraw/zinc/07/88/04/341078804.db2.gz YZJHFVBVMDVLLG-KBRIMQKVSA-N 2 2 301.459 3.944 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]2CCCC[C@@H]21 ZINC000544372301 341078805 /nfs/dbraw/zinc/07/88/05/341078805.db2.gz YZJHFVBVMDVLLG-KBRIMQKVSA-N 2 2 301.459 3.944 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000544829344 341095184 /nfs/dbraw/zinc/09/51/84/341095184.db2.gz IKMWBGIMDHNSGF-IMJJTQAJSA-N 2 2 314.395 3.828 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000544829344 341095185 /nfs/dbraw/zinc/09/51/85/341095185.db2.gz IKMWBGIMDHNSGF-IMJJTQAJSA-N 2 2 314.395 3.828 20 0 DHADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccccc1F ZINC000132121197 341116704 /nfs/dbraw/zinc/11/67/04/341116704.db2.gz KQIMJFXTUPSSSD-MRXNPFEDSA-N 2 2 323.415 3.964 20 0 DHADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(F)cc1 ZINC000132267259 341119673 /nfs/dbraw/zinc/11/96/73/341119673.db2.gz UGFCVGKVYTZWAP-INIZCTEOSA-N 2 2 323.415 3.964 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000546690004 341178873 /nfs/dbraw/zinc/17/88/73/341178873.db2.gz HQDAULDHSURTJK-UONOGXRCSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000546690004 341178874 /nfs/dbraw/zinc/17/88/74/341178874.db2.gz HQDAULDHSURTJK-UONOGXRCSA-N 2 2 314.395 3.568 20 0 DHADLP CC[C@H](C)C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546759922 341181757 /nfs/dbraw/zinc/18/17/57/341181757.db2.gz LDOYMNKOGNJFRB-NSHDSACASA-N 2 2 324.266 3.583 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CC=C(C)CC1)CC3 ZINC000547278983 341203364 /nfs/dbraw/zinc/20/33/64/341203364.db2.gz HBAXMOLYNHXJBK-QGZVFWFLSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CC=C(C)CC1)CC3 ZINC000547278983 341203365 /nfs/dbraw/zinc/20/33/65/341203365.db2.gz HBAXMOLYNHXJBK-QGZVFWFLSA-N 2 2 323.484 3.575 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000134268900 341211502 /nfs/dbraw/zinc/21/15/02/341211502.db2.gz YKEGLLHVWIWAJX-UHFFFAOYSA-N 2 2 316.489 3.753 20 0 DHADLP CC[NH+](CC)CCC[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000134651914 341221041 /nfs/dbraw/zinc/22/10/41/341221041.db2.gz SFXULGHIZWWGRK-UHFFFAOYSA-N 2 2 306.347 3.666 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)o1 ZINC000136078165 341252424 /nfs/dbraw/zinc/25/24/24/341252424.db2.gz PZGXKEHCBMDXQA-CXAGYDPISA-N 2 2 316.420 3.894 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000548860005 341278536 /nfs/dbraw/zinc/27/85/36/341278536.db2.gz HLLXVMBNFQLZBX-UKRRQHHQSA-N 2 2 314.395 3.685 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)C(F)(F)F ZINC000548860005 341278537 /nfs/dbraw/zinc/27/85/37/341278537.db2.gz HLLXVMBNFQLZBX-UKRRQHHQSA-N 2 2 314.395 3.685 20 0 DHADLP CC[NH+](CC)CCC[N@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000548936186 341281675 /nfs/dbraw/zinc/28/16/75/341281675.db2.gz MPFSDKRKXLPTFT-QGZVFWFLSA-N 2 2 312.885 3.691 20 0 DHADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000548936186 341281676 /nfs/dbraw/zinc/28/16/76/341281676.db2.gz MPFSDKRKXLPTFT-QGZVFWFLSA-N 2 2 312.885 3.691 20 0 DHADLP F[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000549935838 341307351 /nfs/dbraw/zinc/30/73/51/341307351.db2.gz FJCDOMLPYAAGHC-DLBZAZTESA-N 2 2 310.844 3.785 20 0 DHADLP Cc1ccc2[nH+]cc(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)n2c1 ZINC000245735631 341312474 /nfs/dbraw/zinc/31/24/74/341312474.db2.gz KRQTUUWWZKJZAA-HZPDHXFCSA-N 2 2 301.459 3.503 20 0 DHADLP Cc1ccc2[nH+]cc(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)n2c1 ZINC000245735631 341312475 /nfs/dbraw/zinc/31/24/75/341312475.db2.gz KRQTUUWWZKJZAA-HZPDHXFCSA-N 2 2 301.459 3.503 20 0 DHADLP Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC000245773709 341314468 /nfs/dbraw/zinc/31/44/68/341314468.db2.gz XSEAPMOYEBGOAJ-OWZKRDHZSA-N 2 2 307.441 3.998 20 0 DHADLP Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC000245773709 341314469 /nfs/dbraw/zinc/31/44/69/341314469.db2.gz XSEAPMOYEBGOAJ-OWZKRDHZSA-N 2 2 307.441 3.998 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+][C@H]2CCOC2(C)C)c2ccccc2)CC1 ZINC000550621410 341319892 /nfs/dbraw/zinc/31/98/92/341319892.db2.gz BAGWRJLDFUDNIC-MOPGFXCFSA-N 2 2 316.489 3.617 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)[NH+](CC)CC)cc1 ZINC000551228582 341334571 /nfs/dbraw/zinc/33/45/71/341334571.db2.gz JBZSNZOMPVZWTI-DBVUQKKJSA-N 2 2 318.505 3.647 20 0 DHADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246229834 341335830 /nfs/dbraw/zinc/33/58/30/341335830.db2.gz RZVIAZALBRBSSG-KBPBESRZSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246229834 341335831 /nfs/dbraw/zinc/33/58/31/341335831.db2.gz RZVIAZALBRBSSG-KBPBESRZSA-N 2 2 310.844 3.958 20 0 DHADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000551558288 341345473 /nfs/dbraw/zinc/34/54/73/341345473.db2.gz BYOIQYNOTASOJC-GGPKGHCWSA-N 2 2 316.489 3.856 20 0 DHADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246602031 341354227 /nfs/dbraw/zinc/35/42/27/341354227.db2.gz HHGVVZWMMBYIDC-RYUDHWBXSA-N 2 2 301.261 3.938 20 0 DHADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246602031 341354228 /nfs/dbraw/zinc/35/42/28/341354228.db2.gz HHGVVZWMMBYIDC-RYUDHWBXSA-N 2 2 301.261 3.938 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246855676 341357864 /nfs/dbraw/zinc/35/78/64/341357864.db2.gz CSVZOOYMSZTRLZ-FTEYMNFISA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246855676 341357865 /nfs/dbraw/zinc/35/78/65/341357865.db2.gz CSVZOOYMSZTRLZ-FTEYMNFISA-N 2 2 315.505 3.708 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247012694 341359862 /nfs/dbraw/zinc/35/98/62/341359862.db2.gz XMHGITFFRRMXBP-QWQRMKEZSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247012694 341359863 /nfs/dbraw/zinc/35/98/63/341359863.db2.gz XMHGITFFRRMXBP-QWQRMKEZSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247012694 341359864 /nfs/dbraw/zinc/35/98/64/341359864.db2.gz XMHGITFFRRMXBP-QWQRMKEZSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247012694 341359865 /nfs/dbraw/zinc/35/98/65/341359865.db2.gz XMHGITFFRRMXBP-QWQRMKEZSA-N 2 2 320.427 3.975 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000247256154 341362857 /nfs/dbraw/zinc/36/28/57/341362857.db2.gz YSYUPOGHLUXRAU-RDBSUJKOSA-N 2 2 324.415 3.872 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000247256154 341362858 /nfs/dbraw/zinc/36/28/58/341362858.db2.gz YSYUPOGHLUXRAU-RDBSUJKOSA-N 2 2 324.415 3.872 20 0 DHADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247643468 341368073 /nfs/dbraw/zinc/36/80/73/341368073.db2.gz OQNUUJZOQIMWMY-FUHWJXTLSA-N 2 2 313.445 3.753 20 0 DHADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247643468 341368074 /nfs/dbraw/zinc/36/80/74/341368074.db2.gz OQNUUJZOQIMWMY-FUHWJXTLSA-N 2 2 313.445 3.753 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000248386610 341376171 /nfs/dbraw/zinc/37/61/71/341376171.db2.gz NEBGPWNETPNFTB-LPHOPBHVSA-N 2 2 304.453 3.707 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000248386610 341376172 /nfs/dbraw/zinc/37/61/72/341376172.db2.gz NEBGPWNETPNFTB-LPHOPBHVSA-N 2 2 304.453 3.707 20 0 DHADLP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000248457586 341378272 /nfs/dbraw/zinc/37/82/72/341378272.db2.gz MLZUOPRWDKSJIH-MSOLQXFVSA-N 2 2 316.489 3.525 20 0 DHADLP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000248457586 341378273 /nfs/dbraw/zinc/37/82/73/341378273.db2.gz MLZUOPRWDKSJIH-MSOLQXFVSA-N 2 2 316.489 3.525 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1cccc(O)c1 ZINC000249252036 341395452 /nfs/dbraw/zinc/39/54/52/341395452.db2.gz GMIOOQBJMYGBQG-MDZRGWNJSA-N 2 2 310.441 3.878 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1cccc(O)c1 ZINC000249252036 341395453 /nfs/dbraw/zinc/39/54/53/341395453.db2.gz GMIOOQBJMYGBQG-MDZRGWNJSA-N 2 2 310.441 3.878 20 0 DHADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCCc3c(Cl)cccc32)CCSC1 ZINC000554892844 341468768 /nfs/dbraw/zinc/46/87/68/341468768.db2.gz TVOKLEDUTJJJFG-DLBZAZTESA-N 2 2 324.921 3.744 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000152811259 341507108 /nfs/dbraw/zinc/50/71/08/341507108.db2.gz USBSTMXJBGGNCK-UONOGXRCSA-N 2 2 305.491 3.720 20 0 DHADLP CC(C)(C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)C[NH+]1CCCC1 ZINC000567118192 341581201 /nfs/dbraw/zinc/58/12/01/341581201.db2.gz IFMJTVITJNHQHG-QGZVFWFLSA-N 2 2 318.509 3.743 20 0 DHADLP CC(C)[C@@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000153918322 341581487 /nfs/dbraw/zinc/58/14/87/341581487.db2.gz KUDKULAUTRXGMG-SJORKVTESA-N 2 2 304.478 3.521 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@@H](C)C3(C)CC3)sc2C1 ZINC000363842379 519690490 /nfs/dbraw/zinc/69/04/90/519690490.db2.gz BVXNMUOFBSQVRR-ZDUSSCGKSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@@H](C)C3(C)CC3)sc2C1 ZINC000363842379 519690493 /nfs/dbraw/zinc/69/04/93/519690493.db2.gz BVXNMUOFBSQVRR-ZDUSSCGKSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@@H](C)C3(C)CC3)sc2C1 ZINC000363842379 519690496 /nfs/dbraw/zinc/69/04/96/519690496.db2.gz BVXNMUOFBSQVRR-ZDUSSCGKSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@@H](C)C3(C)CC3)sc2C1 ZINC000363842379 519690499 /nfs/dbraw/zinc/69/04/99/519690499.db2.gz BVXNMUOFBSQVRR-ZDUSSCGKSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccsc3)CC2)CS1 ZINC000364857072 519827201 /nfs/dbraw/zinc/82/72/01/519827201.db2.gz JPDPJSXEFDULFM-IAGOWNOFSA-N 2 2 324.559 3.832 20 0 DHADLP CC[NH+](CC)[C@H](c1nc([C@H]([NH3+])CC(C)C)no1)c1ccccc1 ZINC000339390970 520868940 /nfs/dbraw/zinc/86/89/40/520868940.db2.gz HORRRMHVDYLOSQ-CVEARBPZSA-N 2 2 316.449 3.547 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181132879 521491471 /nfs/dbraw/zinc/49/14/71/521491471.db2.gz KTTRZLXSDLHZOM-GJZGRUSLSA-N 2 2 301.434 3.553 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181132879 521491479 /nfs/dbraw/zinc/49/14/79/521491479.db2.gz KTTRZLXSDLHZOM-GJZGRUSLSA-N 2 2 301.434 3.553 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181132879 521491488 /nfs/dbraw/zinc/49/14/88/521491488.db2.gz KTTRZLXSDLHZOM-GJZGRUSLSA-N 2 2 301.434 3.553 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181132879 521491497 /nfs/dbraw/zinc/49/14/97/521491497.db2.gz KTTRZLXSDLHZOM-GJZGRUSLSA-N 2 2 301.434 3.553 20 0 DHADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180716739 522099677 /nfs/dbraw/zinc/09/96/77/522099677.db2.gz ZIYLITXWZFBJHQ-BJLQDIEVSA-N 2 2 309.457 3.633 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)[C@H]3CCCO3)ccc2n1C1CC1 ZINC000338784444 522483485 /nfs/dbraw/zinc/48/34/85/522483485.db2.gz ZCURUWFTPVRHJD-FZKQIMNGSA-N 2 2 313.445 3.591 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1F ZINC000180176968 522642332 /nfs/dbraw/zinc/64/23/32/522642332.db2.gz JWXVEYQWCNOBHF-SFHVURJKSA-N 2 2 324.403 3.956 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000163736134 522930702 /nfs/dbraw/zinc/93/07/02/522930702.db2.gz SIKPRADXNYLICD-PWIZWCRZSA-N 2 2 309.457 3.643 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000163736134 522930710 /nfs/dbraw/zinc/93/07/10/522930710.db2.gz SIKPRADXNYLICD-PWIZWCRZSA-N 2 2 309.457 3.643 20 0 DHADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000337357380 523835746 /nfs/dbraw/zinc/83/57/46/523835746.db2.gz BCRNLRINGONGGZ-BEFAXECRSA-N 2 2 313.445 3.537 20 0 DHADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000337357380 523835752 /nfs/dbraw/zinc/83/57/52/523835752.db2.gz BCRNLRINGONGGZ-BEFAXECRSA-N 2 2 313.445 3.537 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129635680 524298550 /nfs/dbraw/zinc/29/85/50/524298550.db2.gz BZGICUFWQXDHMS-BBRMVZONSA-N 2 2 321.371 3.568 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cccc(OC(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129635680 524298554 /nfs/dbraw/zinc/29/85/54/524298554.db2.gz BZGICUFWQXDHMS-BBRMVZONSA-N 2 2 321.371 3.568 20 0 DHADLP COc1ccccc1CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000104710106 524409850 /nfs/dbraw/zinc/40/98/50/524409850.db2.gz XFELACPAZBHQLH-UHFFFAOYSA-N 2 2 321.424 3.555 20 0 DHADLP COc1ccccc1CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000104710106 524409860 /nfs/dbraw/zinc/40/98/60/524409860.db2.gz XFELACPAZBHQLH-UHFFFAOYSA-N 2 2 321.424 3.555 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156466435 524515822 /nfs/dbraw/zinc/51/58/22/524515822.db2.gz PXRDEWYHOGLOPG-WBVHZDCISA-N 2 2 322.412 3.621 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156466435 524515828 /nfs/dbraw/zinc/51/58/28/524515828.db2.gz PXRDEWYHOGLOPG-WBVHZDCISA-N 2 2 322.412 3.621 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc2n1 ZINC000156385755 524701589 /nfs/dbraw/zinc/70/15/89/524701589.db2.gz KKOXUHURLYAART-GOSISDBHSA-N 2 2 319.408 3.592 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc2n1 ZINC000156385755 524701595 /nfs/dbraw/zinc/70/15/95/524701595.db2.gz KKOXUHURLYAART-GOSISDBHSA-N 2 2 319.408 3.592 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000265981582 524904054 /nfs/dbraw/zinc/90/40/54/524904054.db2.gz FOZBRRVTIYZTFD-FXAWDEMLSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000265981582 524904063 /nfs/dbraw/zinc/90/40/63/524904063.db2.gz FOZBRRVTIYZTFD-FXAWDEMLSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000265981582 524904074 /nfs/dbraw/zinc/90/40/74/524904074.db2.gz FOZBRRVTIYZTFD-FXAWDEMLSA-N 2 2 309.457 3.567 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000265981582 524904086 /nfs/dbraw/zinc/90/40/86/524904086.db2.gz FOZBRRVTIYZTFD-FXAWDEMLSA-N 2 2 309.457 3.567 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)o1 ZINC000265168721 524960501 /nfs/dbraw/zinc/96/05/01/524960501.db2.gz IHAWCMWCUFONRN-CQSZACIVSA-N 2 2 313.376 3.769 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157540849 525018498 /nfs/dbraw/zinc/01/84/98/525018498.db2.gz QEQAJEGOHOTUSC-MLGOLLRUSA-N 2 2 303.837 3.590 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c2cccnc12 ZINC000157540849 525018511 /nfs/dbraw/zinc/01/85/11/525018511.db2.gz QEQAJEGOHOTUSC-MLGOLLRUSA-N 2 2 303.837 3.590 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000156218767 525149199 /nfs/dbraw/zinc/14/91/99/525149199.db2.gz VJPDGYWAWHQHOZ-CQSZACIVSA-N 2 2 309.413 3.855 20 0 DHADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(SCC(F)F)cc1 ZINC000155640356 525469998 /nfs/dbraw/zinc/46/99/98/525469998.db2.gz UIIJTJXZBKKCKQ-GFCCVEGCSA-N 2 2 311.401 3.591 20 0 DHADLP CSCc1cccc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)c1 ZINC000189481378 525738830 /nfs/dbraw/zinc/73/88/30/525738830.db2.gz AUUYIGISPIRAOZ-UHFFFAOYSA-N 2 2 311.454 3.796 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156384852 526044208 /nfs/dbraw/zinc/04/42/08/526044208.db2.gz ZCKGJLGLUJOGEL-GUYCJALGSA-N 2 2 302.805 3.949 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156384852 526044213 /nfs/dbraw/zinc/04/42/13/526044213.db2.gz ZCKGJLGLUJOGEL-GUYCJALGSA-N 2 2 302.805 3.949 20 0 DHADLP Cc1cncc([C@@H](C)[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000363813923 526213936 /nfs/dbraw/zinc/21/39/36/526213936.db2.gz GDYYZOVFGIECNC-OAHLLOKOSA-N 2 2 306.413 3.641 20 0 DHADLP FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000337985251 526285847 /nfs/dbraw/zinc/28/58/47/526285847.db2.gz FBKXJSYPLBTYPT-AEFFLSMTSA-N 2 2 301.409 3.880 20 0 DHADLP Fc1cc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)ccc1-n1cc[nH+]c1 ZINC000339512157 526298550 /nfs/dbraw/zinc/29/85/50/526298550.db2.gz KTDCIVMVJKPGAE-ROUUACIJSA-N 2 2 321.399 3.905 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCS2 ZINC000130332635 526374956 /nfs/dbraw/zinc/37/49/56/526374956.db2.gz YGOGTQNBUQGKOT-BZUAXINKSA-N 2 2 306.450 3.579 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCS2 ZINC000130332635 526374960 /nfs/dbraw/zinc/37/49/60/526374960.db2.gz YGOGTQNBUQGKOT-BZUAXINKSA-N 2 2 306.450 3.579 20 0 DHADLP c1cn(-c2csc(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)c2)c[nH+]1 ZINC000339514718 526526975 /nfs/dbraw/zinc/52/69/75/526526975.db2.gz USUBIFLTWUFEGS-QAPCUYQASA-N 2 2 309.438 3.827 20 0 DHADLP c1cn(Cc2ccccc2)c(CNc2cccc(C3CC3)[nH+]2)[nH+]1 ZINC000339429885 526535702 /nfs/dbraw/zinc/53/57/02/526535702.db2.gz UQNARGWSZJDUIN-UHFFFAOYSA-N 2 2 304.397 3.816 20 0 DHADLP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc3[nH+]ccn32)s1 ZINC000180153925 526743114 /nfs/dbraw/zinc/74/31/14/526743114.db2.gz POTZAEXTSKXNDW-GFCCVEGCSA-N 2 2 300.431 3.601 20 0 DHADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccc3[nH+]ccn32)s1 ZINC000180153925 526743123 /nfs/dbraw/zinc/74/31/23/526743123.db2.gz POTZAEXTSKXNDW-GFCCVEGCSA-N 2 2 300.431 3.601 20 0 DHADLP Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000189751691 527081466 /nfs/dbraw/zinc/08/14/66/527081466.db2.gz QDMLBRJZXXALCW-GOSISDBHSA-N 2 2 324.453 3.974 20 0 DHADLP Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000189751691 527081472 /nfs/dbraw/zinc/08/14/72/527081472.db2.gz QDMLBRJZXXALCW-GOSISDBHSA-N 2 2 324.453 3.974 20 0 DHADLP Cc1ncsc1CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189905714 527490571 /nfs/dbraw/zinc/49/05/71/527490571.db2.gz XGGTZKBDUQIBCQ-ZDUSSCGKSA-N 2 2 312.442 3.531 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285124213 535596826 /nfs/dbraw/zinc/59/68/26/535596826.db2.gz SBTLFXRYSUQDCZ-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285124213 535596832 /nfs/dbraw/zinc/59/68/32/535596832.db2.gz SBTLFXRYSUQDCZ-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC=CCC2)C1 ZINC000190467619 563828347 /nfs/dbraw/zinc/82/83/47/563828347.db2.gz DSEKTZPDFWCQFA-IRXDYDNUSA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC=CCC2)C1 ZINC000190467619 563828351 /nfs/dbraw/zinc/82/83/51/563828351.db2.gz DSEKTZPDFWCQFA-IRXDYDNUSA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000190467619 563828356 /nfs/dbraw/zinc/82/83/56/563828356.db2.gz DSEKTZPDFWCQFA-IRXDYDNUSA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000190467619 563828361 /nfs/dbraw/zinc/82/83/61/563828361.db2.gz DSEKTZPDFWCQFA-IRXDYDNUSA-N 2 2 319.518 3.562 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Br ZINC000037649094 1013206923 /nfs/dbraw/zinc/20/69/23/1013206923.db2.gz GUAFDXDOIDINAL-CHWSQXEVSA-N 2 2 323.278 3.584 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Br ZINC000037649094 1013206929 /nfs/dbraw/zinc/20/69/29/1013206929.db2.gz GUAFDXDOIDINAL-CHWSQXEVSA-N 2 2 323.278 3.584 20 0 DHADLP C[NH2+]Cc1cn(-c2cc(C(C)C)[nH+]c(C)n2)c2ccc(C)cc12 ZINC001167121986 1013221758 /nfs/dbraw/zinc/22/17/58/1013221758.db2.gz WXDOJPZAGLGAOP-UHFFFAOYSA-N 2 2 308.429 3.880 20 0 DHADLP C[NH2+]Cc1cn(-c2cc(C)[nH+]c(C(C)C)n2)c2ccc(C)cc12 ZINC001167123323 1013228292 /nfs/dbraw/zinc/22/82/92/1013228292.db2.gz XGLCHUODEDWUAJ-UHFFFAOYSA-N 2 2 308.429 3.880 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894565386 1013419963 /nfs/dbraw/zinc/41/99/63/1013419963.db2.gz FZTKEYGHIPBFOB-CYBMUJFWSA-N 2 2 323.893 3.866 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894565386 1013419971 /nfs/dbraw/zinc/41/99/71/1013419971.db2.gz FZTKEYGHIPBFOB-CYBMUJFWSA-N 2 2 323.893 3.866 20 0 DHADLP CSc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000894777477 1013487601 /nfs/dbraw/zinc/48/76/01/1013487601.db2.gz PVEGFCYHBAVTJI-UHFFFAOYSA-N 2 2 319.474 3.890 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)o1 ZINC000340368419 1013525916 /nfs/dbraw/zinc/52/59/16/1013525916.db2.gz FZNUSQQJWAXYNL-RVKKMQEKSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)o1 ZINC000340368419 1013525922 /nfs/dbraw/zinc/52/59/22/1013525922.db2.gz FZNUSQQJWAXYNL-RVKKMQEKSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)C2CC2)o1 ZINC000340368419 1013525925 /nfs/dbraw/zinc/52/59/25/1013525925.db2.gz FZNUSQQJWAXYNL-RVKKMQEKSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH+](CC[C@@H]2CCC[N@H+]2C)C2CC2)o1 ZINC000340368419 1013525934 /nfs/dbraw/zinc/52/59/34/1013525934.db2.gz FZNUSQQJWAXYNL-RVKKMQEKSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]CCCCNc1cccc[nH+]1 ZINC000187940531 1013526947 /nfs/dbraw/zinc/52/69/47/1013526947.db2.gz QBDZLCUCJATOFI-OAHLLOKOSA-N 2 2 301.409 3.634 20 0 DHADLP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655683888 1013642104 /nfs/dbraw/zinc/64/21/04/1013642104.db2.gz XBIOHGNOBCRPOI-PMACEKPBSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)(C)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000340405088 1013644747 /nfs/dbraw/zinc/64/47/47/1013644747.db2.gz RBEWTRUNQRZJKU-UHFFFAOYSA-N 2 2 303.494 3.708 20 0 DHADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655708988 1013656641 /nfs/dbraw/zinc/65/66/41/1013656641.db2.gz RCMRFTXYARJSDD-OALUTQOASA-N 2 2 308.510 3.578 20 0 DHADLP C(=C/c1ccncc1)\C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000441351829 1013719876 /nfs/dbraw/zinc/71/98/76/1013719876.db2.gz SQUXKCJKZFFPRW-SNAWJCMRSA-N 2 2 313.489 3.731 20 0 DHADLP Fc1ccccc1C1CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655848124 1013774461 /nfs/dbraw/zinc/77/44/61/1013774461.db2.gz BVEZYILRVAZJAN-QIRNKGDASA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccccc1C1CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655848124 1013774465 /nfs/dbraw/zinc/77/44/65/1013774465.db2.gz BVEZYILRVAZJAN-QIRNKGDASA-N 2 2 302.437 3.678 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000655850984 1013778502 /nfs/dbraw/zinc/77/85/02/1013778502.db2.gz OLSYAXLDCKCKTE-IPELMVKDSA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000655850984 1013778507 /nfs/dbraw/zinc/77/85/07/1013778507.db2.gz OLSYAXLDCKCKTE-IPELMVKDSA-N 2 2 302.462 3.671 20 0 DHADLP CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000340439782 1013793097 /nfs/dbraw/zinc/79/30/97/1013793097.db2.gz DICUWMYKHSQPAN-CYBMUJFWSA-N 2 2 310.401 3.582 20 0 DHADLP COC1(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)CCC1 ZINC000340442505 1013796653 /nfs/dbraw/zinc/79/66/53/1013796653.db2.gz XOXZIYPZZJSDNT-PKOBYXMFSA-N 2 2 316.489 3.588 20 0 DHADLP COC1(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)CCC1 ZINC000340442505 1013796659 /nfs/dbraw/zinc/79/66/59/1013796659.db2.gz XOXZIYPZZJSDNT-PKOBYXMFSA-N 2 2 316.489 3.588 20 0 DHADLP Cc1csc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000316113285 1013877662 /nfs/dbraw/zinc/87/76/62/1013877662.db2.gz OOQODXUADPJGOE-CQSZACIVSA-N 2 2 312.442 3.531 20 0 DHADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000045094631 1032084522 /nfs/dbraw/zinc/08/45/22/1032084522.db2.gz GQEUDKNYKZSAGH-ZDUSSCGKSA-N 2 2 322.250 3.777 20 0 DHADLP COc1c[nH+]ccc1Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC001211257766 1014281552 /nfs/dbraw/zinc/28/15/52/1014281552.db2.gz RENWFFMNDZAJKV-UHFFFAOYSA-N 2 2 319.286 3.823 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(Cc2cc(F)ccc2F)c2cccc[nH+]2)CC1 ZINC000895112093 1014442455 /nfs/dbraw/zinc/44/24/55/1014442455.db2.gz UQCXTAAJJYRFTF-WKILWMFISA-N 2 2 317.383 3.636 20 0 DHADLP Cc1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001168010490 1014528165 /nfs/dbraw/zinc/52/81/65/1014528165.db2.gz JSGWMYAVWNIJLB-ROUUACIJSA-N 2 2 323.484 3.921 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427839559 1014535706 /nfs/dbraw/zinc/53/57/06/1014535706.db2.gz FAHHPTNCYIKZIJ-JSGCOSHPSA-N 2 2 319.836 3.601 20 0 DHADLP Fc1ccccc1[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000427844791 1014536295 /nfs/dbraw/zinc/53/62/95/1014536295.db2.gz DKGXZLROGOSKMU-DNVCBOLYSA-N 2 2 313.420 3.858 20 0 DHADLP Cc1cc2cc([C@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)oc2cc1C ZINC000427861981 1014542393 /nfs/dbraw/zinc/54/23/93/1014542393.db2.gz UWEMDOIAZAEAFS-HOCLYGCPSA-N 2 2 309.413 3.912 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000427863834 1014543888 /nfs/dbraw/zinc/54/38/88/1014543888.db2.gz ZQNUHHQPGLRVOJ-PWSUYJOCSA-N 2 2 310.228 3.856 20 0 DHADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427894519 1014543995 /nfs/dbraw/zinc/54/39/95/1014543995.db2.gz LFDZBSNPLRUFCS-TZMCWYRMSA-N 2 2 322.239 3.782 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(-c2ccncc2)c1 ZINC000427874269 1014545207 /nfs/dbraw/zinc/54/52/07/1014545207.db2.gz MIRRIEXYQSWGGL-HNAYVOBHSA-N 2 2 318.424 3.611 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Br)ccc1F ZINC000665249155 1014547949 /nfs/dbraw/zinc/54/79/49/1014547949.db2.gz KGENUOSAFRWSOU-JTQLQIEISA-N 2 2 315.230 3.510 20 0 DHADLP CC(C)O[C@H](C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)c1ccccc1 ZINC000639177133 1014568457 /nfs/dbraw/zinc/56/84/57/1014568457.db2.gz BAOPDZKQHKGTIH-HSALFYBXSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21)c1ccccc1 ZINC000639177133 1014568467 /nfs/dbraw/zinc/56/84/67/1014568467.db2.gz BAOPDZKQHKGTIH-HSALFYBXSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000639177133 1014568477 /nfs/dbraw/zinc/56/84/77/1014568477.db2.gz BAOPDZKQHKGTIH-HSALFYBXSA-N 2 2 316.489 3.569 20 0 DHADLP CC(C)O[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000639177133 1014568481 /nfs/dbraw/zinc/56/84/81/1014568481.db2.gz BAOPDZKQHKGTIH-HSALFYBXSA-N 2 2 316.489 3.569 20 0 DHADLP CCc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000428233167 1014592638 /nfs/dbraw/zinc/59/26/38/1014592638.db2.gz QVLZHTIDRWPWFQ-NVXWUHKLSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000428233167 1014592648 /nfs/dbraw/zinc/59/26/48/1014592648.db2.gz QVLZHTIDRWPWFQ-NVXWUHKLSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1nc(C)c(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000428233167 1014592659 /nfs/dbraw/zinc/59/26/59/1014592659.db2.gz QVLZHTIDRWPWFQ-NVXWUHKLSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1nc(C)c(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000428233167 1014592669 /nfs/dbraw/zinc/59/26/69/1014592669.db2.gz QVLZHTIDRWPWFQ-NVXWUHKLSA-N 2 2 319.493 3.632 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000393545334 1014666530 /nfs/dbraw/zinc/66/65/30/1014666530.db2.gz JQRFRDKOQOYPBU-NRFANRHFSA-N 2 2 324.468 3.859 20 0 DHADLP FC(F)(F)c1ccc([C@H]2CC[C@H]([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000442636325 1014706818 /nfs/dbraw/zinc/70/68/18/1014706818.db2.gz SNIJNMJKJOUXGU-HOCLYGCPSA-N 2 2 323.362 3.828 20 0 DHADLP CSc1ccccc1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000442706810 1014718239 /nfs/dbraw/zinc/71/82/39/1014718239.db2.gz FGVHQCONWJZRHB-AWEZNQCLSA-N 2 2 315.486 3.835 20 0 DHADLP CSc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000442787532 1014735164 /nfs/dbraw/zinc/73/51/64/1014735164.db2.gz WWQJSTGHARULLC-UONOGXRCSA-N 2 2 301.459 3.833 20 0 DHADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000665295397 1014743412 /nfs/dbraw/zinc/74/34/12/1014743412.db2.gz DAFOSHDQEVBKRO-HIFRSBDPSA-N 2 2 315.486 3.693 20 0 DHADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1sccc1Br ZINC000581423327 1014843662 /nfs/dbraw/zinc/84/36/62/1014843662.db2.gz BICWRICKXIMTGD-SNVBAGLBSA-N 2 2 305.285 3.549 20 0 DHADLP C[NH+](C)C1(C)CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000931350523 1032106099 /nfs/dbraw/zinc/10/60/99/1032106099.db2.gz NAMDWZUHZHBGFG-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP CCC(CC)(CC)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000090400312 1015092812 /nfs/dbraw/zinc/09/28/12/1015092812.db2.gz DLNSXZALTJVWSN-UHFFFAOYSA-N 2 2 303.494 3.852 20 0 DHADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000656789926 1015158318 /nfs/dbraw/zinc/15/83/18/1015158318.db2.gz DJHPSCNEORLIRF-MORSLUCNSA-N 2 2 318.461 3.554 20 0 DHADLP c1ccc(NC2CC[NH+](Cc3ccc4cnccc4c3)CC2)[nH+]c1 ZINC000896194888 1015503698 /nfs/dbraw/zinc/50/36/98/1015503698.db2.gz ILRAHQAVTLWMMN-UHFFFAOYSA-N 2 2 318.424 3.706 20 0 DHADLP C[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)c1ccno1 ZINC001168041052 1015551287 /nfs/dbraw/zinc/55/12/87/1015551287.db2.gz QLPFXXBMBLIIFA-OAGGEKHMSA-N 2 2 313.445 3.767 20 0 DHADLP CSCc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000891725744 1015569970 /nfs/dbraw/zinc/56/99/70/1015569970.db2.gz UGFKINRPHKXVBE-INIZCTEOSA-N 2 2 301.459 3.652 20 0 DHADLP CSCc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000891725744 1015569976 /nfs/dbraw/zinc/56/99/76/1015569976.db2.gz UGFKINRPHKXVBE-INIZCTEOSA-N 2 2 301.459 3.652 20 0 DHADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000655688203 1015590228 /nfs/dbraw/zinc/59/02/28/1015590228.db2.gz PUSXYJCBFPYZAV-SFHVURJKSA-N 2 2 309.457 3.656 20 0 DHADLP CCc1cccc(F)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000474793993 1015605836 /nfs/dbraw/zinc/60/58/36/1015605836.db2.gz HFHSBLRUROTOTI-UHFFFAOYSA-N 2 2 304.453 3.885 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000361839928 1032121134 /nfs/dbraw/zinc/12/11/34/1032121134.db2.gz NLDTULSELWRWPB-LJQANCHMSA-N 2 2 306.413 3.846 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000361839928 1032121142 /nfs/dbraw/zinc/12/11/42/1032121142.db2.gz NLDTULSELWRWPB-LJQANCHMSA-N 2 2 306.413 3.846 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCc1cccs1 ZINC000361838942 1032121498 /nfs/dbraw/zinc/12/14/98/1032121498.db2.gz VZEZDRDCPAGCCE-UHFFFAOYSA-N 2 2 311.454 3.917 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCc1cccs1 ZINC000361838942 1032121503 /nfs/dbraw/zinc/12/15/03/1032121503.db2.gz VZEZDRDCPAGCCE-UHFFFAOYSA-N 2 2 311.454 3.917 20 0 DHADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000891841738 1015676707 /nfs/dbraw/zinc/67/67/07/1015676707.db2.gz FHHRLHXMHOEGPN-UHFFFAOYSA-N 2 2 301.434 3.919 20 0 DHADLP C[C@@H]1C[C@@H](n2c[nH+]c3c2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000628371723 1015715866 /nfs/dbraw/zinc/71/58/66/1015715866.db2.gz ZRIRJUCBKKAMPN-AEFFLSMTSA-N 2 2 309.457 3.988 20 0 DHADLP C[C@@H]1C[C@@H](n2c[nH+]c3c2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000628371723 1015715874 /nfs/dbraw/zinc/71/58/74/1015715874.db2.gz ZRIRJUCBKKAMPN-AEFFLSMTSA-N 2 2 309.457 3.988 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCn1cc[nH+]c1 ZINC000280905694 1015807931 /nfs/dbraw/zinc/80/79/31/1015807931.db2.gz FFNQHPJUWHARBD-GOSISDBHSA-N 2 2 308.429 3.730 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1sc(C(C)C)nc1C)C2 ZINC000150967016 1016002266 /nfs/dbraw/zinc/00/22/66/1016002266.db2.gz KBHFSOGBSHLJDS-JSGCOSHPSA-N 2 2 318.490 3.745 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)C2 ZINC000151002068 1016009213 /nfs/dbraw/zinc/00/92/13/1016009213.db2.gz NCGQVXHVWQAWNW-STQMWFEESA-N 2 2 323.362 3.876 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](Cc1ccc(F)cc1)C(C)C)C2 ZINC000151001141 1016010399 /nfs/dbraw/zinc/01/03/99/1016010399.db2.gz IGSLLYVQYKUQNG-MSOLQXFVSA-N 2 2 315.436 3.502 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1ccc(OC(C)C)cc1)C2 ZINC000151019964 1016011308 /nfs/dbraw/zinc/01/13/08/1016011308.db2.gz DGEWJXBQHXBSSY-RDJZCZTQSA-N 2 2 313.445 3.644 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000277392179 1016270578 /nfs/dbraw/zinc/27/05/78/1016270578.db2.gz YWEKZSYMGUFPLR-SFHVURJKSA-N 2 2 316.489 3.731 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000277392179 1016270586 /nfs/dbraw/zinc/27/05/86/1016270586.db2.gz YWEKZSYMGUFPLR-SFHVURJKSA-N 2 2 316.489 3.731 20 0 DHADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000342408408 1016354872 /nfs/dbraw/zinc/35/48/72/1016354872.db2.gz BYVCDJMUJHAHDM-YVEFUNNKSA-N 2 2 311.410 3.546 20 0 DHADLP Cc1occc1C[NH+](C)CC(C)C[N@H+](C)Cc1ccoc1C ZINC000346418046 1016383081 /nfs/dbraw/zinc/38/30/81/1016383081.db2.gz DXFZVQRIUZNURB-UHFFFAOYSA-N 2 2 304.434 3.689 20 0 DHADLP Cc1occc1C[NH+](C)CC(C)C[N@@H+](C)Cc1ccoc1C ZINC000346418046 1016383090 /nfs/dbraw/zinc/38/30/90/1016383090.db2.gz DXFZVQRIUZNURB-UHFFFAOYSA-N 2 2 304.434 3.689 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C[C@H](C)O1 ZINC000387339912 1016420444 /nfs/dbraw/zinc/42/04/44/1016420444.db2.gz FBZQXCHIPSUJTG-IZZQQSIFSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C[C@H](C)O1 ZINC000387339912 1016420457 /nfs/dbraw/zinc/42/04/57/1016420457.db2.gz FBZQXCHIPSUJTG-IZZQQSIFSA-N 2 2 316.489 3.587 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C)c(Cl)c1)CCC2 ZINC000443993483 1016569374 /nfs/dbraw/zinc/56/93/74/1016569374.db2.gz JFOXFLSSKLGUSV-HNNXBMFYSA-N 2 2 303.837 3.821 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443991938 1016573388 /nfs/dbraw/zinc/57/33/88/1016573388.db2.gz XIQOQPIWVISYDT-LLVKDONJSA-N 2 2 321.412 3.516 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443991938 1016573397 /nfs/dbraw/zinc/57/33/97/1016573397.db2.gz XIQOQPIWVISYDT-LLVKDONJSA-N 2 2 321.412 3.516 20 0 DHADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C[C@@H]12 ZINC000346839675 1016599501 /nfs/dbraw/zinc/59/95/01/1016599501.db2.gz ZGFPECJPIZZLHZ-JTNHKYCSSA-N 2 2 318.770 3.528 20 0 DHADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(C(F)(F)F)c3)C[C@@H]12 ZINC000346839675 1016599512 /nfs/dbraw/zinc/59/95/12/1016599512.db2.gz ZGFPECJPIZZLHZ-JTNHKYCSSA-N 2 2 318.770 3.528 20 0 DHADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347015402 1016686266 /nfs/dbraw/zinc/68/62/66/1016686266.db2.gz IYNYQKBNDNVDLI-PBWFPOADSA-N 2 2 316.342 3.559 20 0 DHADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347015402 1016686269 /nfs/dbraw/zinc/68/62/69/1016686269.db2.gz IYNYQKBNDNVDLI-PBWFPOADSA-N 2 2 316.342 3.559 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172577341 1016687410 /nfs/dbraw/zinc/68/74/10/1016687410.db2.gz NYNVLYUZAIWILZ-ZBFHGGJFSA-N 2 2 308.416 3.976 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172577341 1016687420 /nfs/dbraw/zinc/68/74/20/1016687420.db2.gz NYNVLYUZAIWILZ-ZBFHGGJFSA-N 2 2 308.416 3.976 20 0 DHADLP CO[C@@H](c1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1)[C@H](C)[NH3+] ZINC000629741911 1016689944 /nfs/dbraw/zinc/68/99/44/1016689944.db2.gz HLIKSOARJILYBZ-MGPUTAFESA-N 2 2 321.424 3.633 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000174244296 1016812648 /nfs/dbraw/zinc/81/26/48/1016812648.db2.gz IJONTNMMAPPLQZ-UHFFFAOYSA-N 2 2 310.441 3.548 20 0 DHADLP c1csc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281948321 1016828563 /nfs/dbraw/zinc/82/85/63/1016828563.db2.gz FKCVNNPAQPKSNJ-CQSZACIVSA-N 2 2 301.459 3.661 20 0 DHADLP c1csc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281948321 1016828574 /nfs/dbraw/zinc/82/85/74/1016828574.db2.gz FKCVNNPAQPKSNJ-CQSZACIVSA-N 2 2 301.459 3.661 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000158408155 1016840121 /nfs/dbraw/zinc/84/01/21/1016840121.db2.gz LPUNEVGPOQOVJN-FQEVSTJZSA-N 2 2 319.408 3.658 20 0 DHADLP c1c[nH+]c(C2CC[NH+](CCOc3ccc4ccccc4c3)CC2)[nH]1 ZINC000342612872 1016861623 /nfs/dbraw/zinc/86/16/23/1016861623.db2.gz YZWDUDQNHOCZEU-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168053095 1016917194 /nfs/dbraw/zinc/91/71/94/1016917194.db2.gz MSVBCHWZPHQNJB-NBMJBFSESA-N 2 2 304.453 3.862 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053095 1016917209 /nfs/dbraw/zinc/91/72/09/1016917209.db2.gz MSVBCHWZPHQNJB-NBMJBFSESA-N 2 2 304.453 3.862 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053095 1016917220 /nfs/dbraw/zinc/91/72/20/1016917220.db2.gz MSVBCHWZPHQNJB-NBMJBFSESA-N 2 2 304.453 3.862 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053095 1016917229 /nfs/dbraw/zinc/91/72/29/1016917229.db2.gz MSVBCHWZPHQNJB-NBMJBFSESA-N 2 2 304.453 3.862 20 0 DHADLP c1c(CC[NH2+][C@H]2CCSc3ccccc32)[nH+]c2n1CCCC2 ZINC000152755109 1016987834 /nfs/dbraw/zinc/98/78/34/1016987834.db2.gz QIUFYUHYFLYRSD-INIZCTEOSA-N 2 2 313.470 3.589 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)CC1(C)C ZINC000623374676 1017005491 /nfs/dbraw/zinc/00/54/91/1017005491.db2.gz KXUAJXYRSUZBHW-DOMZBBRYSA-N 2 2 308.853 3.626 20 0 DHADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001204782518 1017032094 /nfs/dbraw/zinc/03/20/94/1017032094.db2.gz HHBHMTCLQRAKSZ-SFHVURJKSA-N 2 2 300.833 3.930 20 0 DHADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001204782518 1017032108 /nfs/dbraw/zinc/03/21/08/1017032108.db2.gz HHBHMTCLQRAKSZ-SFHVURJKSA-N 2 2 300.833 3.930 20 0 DHADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(F)ccc1F ZINC000361922371 1032154991 /nfs/dbraw/zinc/15/49/91/1032154991.db2.gz IIUQFCDRTXXMJO-INIZCTEOSA-N 2 2 305.372 3.903 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CCC2 ZINC000361922576 1032155535 /nfs/dbraw/zinc/15/55/35/1032155535.db2.gz AOVBDTQUOHWZHS-SFHVURJKSA-N 2 2 311.429 3.559 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000361942717 1032165540 /nfs/dbraw/zinc/16/55/40/1032165540.db2.gz HWUWOBZOYYRKEO-LBPRGKRZSA-N 2 2 310.228 3.716 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000361942717 1032165545 /nfs/dbraw/zinc/16/55/45/1032165545.db2.gz HWUWOBZOYYRKEO-LBPRGKRZSA-N 2 2 310.228 3.716 20 0 DHADLP CC(C)C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000361970385 1032178296 /nfs/dbraw/zinc/17/82/96/1032178296.db2.gz WUZMETPTRKDXJW-QZTJIDSGSA-N 2 2 306.519 3.801 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CS1 ZINC000655771285 1032183785 /nfs/dbraw/zinc/18/37/85/1032183785.db2.gz GGVOLFCQHXMNKX-CHWSQXEVSA-N 2 2 321.877 3.899 20 0 DHADLP Fc1cc(C[NH2+][C@H]2CCCc3cccnc32)ccc1-n1cc[nH+]c1 ZINC000684955253 1017085766 /nfs/dbraw/zinc/08/57/66/1017085766.db2.gz IOYCYCVVTWFOGG-KRWDZBQOSA-N 2 2 322.387 3.574 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000475215650 1017086990 /nfs/dbraw/zinc/08/69/90/1017086990.db2.gz LZRBTVUCHTXFKU-HIFRSBDPSA-N 2 2 302.453 3.910 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CCC(F)(F)CC1 ZINC000475215650 1017087006 /nfs/dbraw/zinc/08/70/06/1017087006.db2.gz LZRBTVUCHTXFKU-HIFRSBDPSA-N 2 2 302.453 3.910 20 0 DHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093405340 1032535629 /nfs/dbraw/zinc/53/56/29/1032535629.db2.gz VYNGMJGPVHGHOC-LSDHHAIUSA-N 2 2 321.534 3.793 20 0 DHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2nc3c(s2)CCCC3)C1 ZINC000093405340 1032535634 /nfs/dbraw/zinc/53/56/34/1032535634.db2.gz VYNGMJGPVHGHOC-LSDHHAIUSA-N 2 2 321.534 3.793 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000281360930 1012331376 /nfs/dbraw/zinc/33/13/76/1012331376.db2.gz WBUGIAIQZCNIQV-CHWSQXEVSA-N 2 2 311.351 3.511 20 0 DHADLP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Cl)c1Cl ZINC001206771018 1012351623 /nfs/dbraw/zinc/35/16/23/1012351623.db2.gz VSCGRJXXWPXOEA-NEPJUHHUSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Cl)c1Cl ZINC001206771018 1012351641 /nfs/dbraw/zinc/35/16/41/1012351641.db2.gz VSCGRJXXWPXOEA-NEPJUHHUSA-N 2 2 301.261 3.861 20 0 DHADLP COCCC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000123082940 1032635881 /nfs/dbraw/zinc/63/58/81/1032635881.db2.gz YHLNKAJPINTPRO-MRXNPFEDSA-N 2 2 313.445 3.730 20 0 DHADLP CS[C@@H]1CC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000425375254 1012510726 /nfs/dbraw/zinc/51/07/26/1012510726.db2.gz ZBOKPNAPDIRWIA-UKRRQHHQSA-N 2 2 307.850 3.509 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]CCC[NH+]1CCC1 ZINC000515670486 1012695339 /nfs/dbraw/zinc/69/53/39/1012695339.db2.gz NLCQRGRCJNYRPK-UHFFFAOYSA-N 2 2 310.441 3.548 20 0 DHADLP CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000515711945 1012704575 /nfs/dbraw/zinc/70/45/75/1012704575.db2.gz HCKPOJPJDOQZGV-QGZVFWFLSA-N 2 2 312.442 3.912 20 0 DHADLP CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000515711945 1012704588 /nfs/dbraw/zinc/70/45/88/1012704588.db2.gz HCKPOJPJDOQZGV-QGZVFWFLSA-N 2 2 312.442 3.912 20 0 DHADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000476830924 1032656012 /nfs/dbraw/zinc/65/60/12/1032656012.db2.gz ZMCACWSDXAFQSX-HNNXBMFYSA-N 2 2 324.896 3.880 20 0 DHADLP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(F)c1F ZINC001167961476 1012782886 /nfs/dbraw/zinc/78/28/86/1012782886.db2.gz LTLDSAOEXCODHG-GOOCMWNKSA-N 2 2 324.390 3.599 20 0 DHADLP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(F)c1F ZINC001167961476 1012782900 /nfs/dbraw/zinc/78/29/00/1012782900.db2.gz LTLDSAOEXCODHG-GOOCMWNKSA-N 2 2 324.390 3.599 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000123871331 1032663068 /nfs/dbraw/zinc/66/30/68/1032663068.db2.gz JORJSKPOZXQKDA-QAPCUYQASA-N 2 2 316.489 3.729 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000123871331 1032663079 /nfs/dbraw/zinc/66/30/79/1032663079.db2.gz JORJSKPOZXQKDA-QAPCUYQASA-N 2 2 316.489 3.729 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000123871331 1032663083 /nfs/dbraw/zinc/66/30/83/1032663083.db2.gz JORJSKPOZXQKDA-QAPCUYQASA-N 2 2 316.489 3.729 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000123871331 1032663087 /nfs/dbraw/zinc/66/30/87/1032663087.db2.gz JORJSKPOZXQKDA-QAPCUYQASA-N 2 2 316.489 3.729 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2cccc3cc[nH]c32)CC1 ZINC000290480817 1012908658 /nfs/dbraw/zinc/90/86/58/1012908658.db2.gz NZTIEJUMJVYPLV-UHFFFAOYSA-N 2 2 323.440 3.857 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2cccc3cc[nH]c32)CC1 ZINC000290480817 1012908665 /nfs/dbraw/zinc/90/86/65/1012908665.db2.gz NZTIEJUMJVYPLV-UHFFFAOYSA-N 2 2 323.440 3.857 20 0 DHADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000037249347 1012923047 /nfs/dbraw/zinc/92/30/47/1012923047.db2.gz WDKAEMMWRMDJAS-HNNXBMFYSA-N 2 2 322.250 3.777 20 0 DHADLP C[C@H](C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+](C)C ZINC000425945507 1012988223 /nfs/dbraw/zinc/98/82/23/1012988223.db2.gz RDEOQLZSUXHCCB-CQSZACIVSA-N 2 2 318.411 3.842 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000178414592 1017177255 /nfs/dbraw/zinc/17/72/55/1017177255.db2.gz KVLWUPNECRQZMM-OAHLLOKOSA-N 2 2 315.486 3.947 20 0 DHADLP C[N@H+](CCC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000077313580 1017456105 /nfs/dbraw/zinc/45/61/05/1017456105.db2.gz FXBGKBCVKPYAER-UHFFFAOYSA-N 2 2 300.368 3.535 20 0 DHADLP C[N@@H+](CCC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000077313580 1017456111 /nfs/dbraw/zinc/45/61/11/1017456111.db2.gz FXBGKBCVKPYAER-UHFFFAOYSA-N 2 2 300.368 3.535 20 0 DHADLP Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000623860692 1017536040 /nfs/dbraw/zinc/53/60/40/1017536040.db2.gz BPYXQYBJDRKJHS-STQMWFEESA-N 2 2 322.250 3.693 20 0 DHADLP Fc1ccc(S[C@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000623852299 1017542631 /nfs/dbraw/zinc/54/26/31/1017542631.db2.gz SHGAFCAWLXAKMN-IRXDYDNUSA-N 2 2 319.449 3.715 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000020565422 1032707175 /nfs/dbraw/zinc/70/71/75/1032707175.db2.gz HGLXMSBDLSDRPJ-CYBMUJFWSA-N 2 2 318.408 3.872 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000020565422 1032707189 /nfs/dbraw/zinc/70/71/89/1032707189.db2.gz HGLXMSBDLSDRPJ-CYBMUJFWSA-N 2 2 318.408 3.872 20 0 DHADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000193122563 1017554851 /nfs/dbraw/zinc/55/48/51/1017554851.db2.gz WQRBXNBRJBHEDK-FUHWJXTLSA-N 2 2 311.473 3.888 20 0 DHADLP Cc1csc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000623895617 1017561389 /nfs/dbraw/zinc/56/13/89/1017561389.db2.gz WVGQJQCBPSFTJR-GFCCVEGCSA-N 2 2 307.438 3.503 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000020565423 1032708942 /nfs/dbraw/zinc/70/89/42/1032708942.db2.gz HGLXMSBDLSDRPJ-ZDUSSCGKSA-N 2 2 318.408 3.872 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000020565423 1032708956 /nfs/dbraw/zinc/70/89/56/1032708956.db2.gz HGLXMSBDLSDRPJ-ZDUSSCGKSA-N 2 2 318.408 3.872 20 0 DHADLP Cc1ccncc1C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000354599560 1017747756 /nfs/dbraw/zinc/74/77/56/1017747756.db2.gz JVMPCGNOKHZUIT-HXUWFJFHSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1ccncc1C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000354599560 1017747769 /nfs/dbraw/zinc/74/77/69/1017747769.db2.gz JVMPCGNOKHZUIT-HXUWFJFHSA-N 2 2 309.457 3.534 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171458163 1032721566 /nfs/dbraw/zinc/72/15/66/1032721566.db2.gz JCXWDGBUWCFXMM-RHSMWYFYSA-N 2 2 322.443 3.532 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C12CCCC2 ZINC000181672842 1017786429 /nfs/dbraw/zinc/78/64/29/1017786429.db2.gz VONXLMAPVYDVNJ-IAGOWNOFSA-N 2 2 317.477 3.601 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001167633950 1017795074 /nfs/dbraw/zinc/79/50/74/1017795074.db2.gz HAGAOYIYFKLIHS-OWSLCNJRSA-N 2 2 320.427 3.594 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001167633950 1017795089 /nfs/dbraw/zinc/79/50/89/1017795089.db2.gz HAGAOYIYFKLIHS-OWSLCNJRSA-N 2 2 320.427 3.594 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001167633950 1017795103 /nfs/dbraw/zinc/79/51/03/1017795103.db2.gz HAGAOYIYFKLIHS-OWSLCNJRSA-N 2 2 320.427 3.594 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001167633950 1017795124 /nfs/dbraw/zinc/79/51/24/1017795124.db2.gz HAGAOYIYFKLIHS-OWSLCNJRSA-N 2 2 320.427 3.594 20 0 DHADLP COc1ccc(-c2ccccc2)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000342949409 1017874846 /nfs/dbraw/zinc/87/48/46/1017874846.db2.gz CMRXBJDBVUEZLZ-UHFFFAOYSA-N 2 2 321.424 3.739 20 0 DHADLP CC[C@@H](c1ccccc1)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624256299 1017946947 /nfs/dbraw/zinc/94/69/47/1017946947.db2.gz LJBQEKIZSKIOQE-IBGZPJMESA-N 2 2 316.489 3.715 20 0 DHADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000624256337 1017947890 /nfs/dbraw/zinc/94/78/90/1017947890.db2.gz NRZDIPYMZAXBLF-GOSISDBHSA-N 2 2 316.489 3.633 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150757326 1018056528 /nfs/dbraw/zinc/05/65/28/1018056528.db2.gz BOSMOKQYRVWYFW-KDOFPFPSSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150757326 1018056542 /nfs/dbraw/zinc/05/65/42/1018056542.db2.gz BOSMOKQYRVWYFW-KDOFPFPSSA-N 2 2 308.416 3.834 20 0 DHADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095307 1018066835 /nfs/dbraw/zinc/06/68/35/1018066835.db2.gz GKHNMIBNNXFJKI-PBHICJAKSA-N 2 2 302.462 3.535 20 0 DHADLP COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095307 1018066850 /nfs/dbraw/zinc/06/68/50/1018066850.db2.gz GKHNMIBNNXFJKI-PBHICJAKSA-N 2 2 302.462 3.535 20 0 DHADLP c1csc([C@@H](Cc2ccccc2)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000184983696 1018102114 /nfs/dbraw/zinc/10/21/14/1018102114.db2.gz XJBCGHVCPBYBKM-QGZVFWFLSA-N 2 2 311.454 3.908 20 0 DHADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccns1 ZINC000925180628 1018128563 /nfs/dbraw/zinc/12/85/63/1018128563.db2.gz RBLKPKFYVTVBGB-DZGCQCFKSA-N 2 2 312.442 3.511 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(F)CC1 ZINC000657744603 1018215841 /nfs/dbraw/zinc/21/58/41/1018215841.db2.gz PKUZZBYNTKMUOS-OOHWJJMZSA-N 2 2 301.409 3.879 20 0 DHADLP CO[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000154963806 1018227818 /nfs/dbraw/zinc/22/78/18/1018227818.db2.gz GJPFLSKXYBAYFV-YOEHRIQHSA-N 2 2 301.434 3.584 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(-n2cccn2)cc1 ZINC000447599943 1018433519 /nfs/dbraw/zinc/43/35/19/1018433519.db2.gz KYWJINCNVOFPDO-JXFKEZNVSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(-n2cccn2)cc1 ZINC000447599943 1018433525 /nfs/dbraw/zinc/43/35/25/1018433525.db2.gz KYWJINCNVOFPDO-JXFKEZNVSA-N 2 2 324.472 3.540 20 0 DHADLP CC(C)n1cc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC001137083033 1032766148 /nfs/dbraw/zinc/76/61/48/1032766148.db2.gz YIICTCCLHSNVTK-UHFFFAOYSA-N 2 2 318.509 3.693 20 0 DHADLP CC(C)n1cc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC001137083033 1032766159 /nfs/dbraw/zinc/76/61/59/1032766159.db2.gz YIICTCCLHSNVTK-UHFFFAOYSA-N 2 2 318.509 3.693 20 0 DHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447932144 1018505287 /nfs/dbraw/zinc/50/52/87/1018505287.db2.gz RDLISXDMCRPRTA-CQSZACIVSA-N 2 2 309.523 3.651 20 0 DHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000447932144 1018505296 /nfs/dbraw/zinc/50/52/96/1018505296.db2.gz RDLISXDMCRPRTA-CQSZACIVSA-N 2 2 309.523 3.651 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCc3occc32)c[nH+]1 ZINC000278356183 1018605064 /nfs/dbraw/zinc/60/50/64/1018605064.db2.gz ZZYDZTFFBJETQN-SFHVURJKSA-N 2 2 307.397 3.692 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](CC4CC4)C3)ccc2c1 ZINC000675832995 1018605910 /nfs/dbraw/zinc/60/59/10/1018605910.db2.gz GHKACDPAHJKQQB-MGPUTAFESA-N 2 2 324.468 3.983 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)ccc2c1 ZINC000675832995 1018605913 /nfs/dbraw/zinc/60/59/13/1018605913.db2.gz GHKACDPAHJKQQB-MGPUTAFESA-N 2 2 324.468 3.983 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000675833574 1018606261 /nfs/dbraw/zinc/60/62/61/1018606261.db2.gz MOMFZATZMVRQMB-IERDGZPVSA-N 2 2 321.468 3.884 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000675833574 1018606267 /nfs/dbraw/zinc/60/62/67/1018606267.db2.gz MOMFZATZMVRQMB-IERDGZPVSA-N 2 2 321.468 3.884 20 0 DHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000262348481 1018609551 /nfs/dbraw/zinc/60/95/51/1018609551.db2.gz UZKNQMOWOMCCHE-BPQIPLTHSA-N 2 2 304.478 3.521 20 0 DHADLP Cc1cccc2c1CC[C@@H]([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001171551546 1032772728 /nfs/dbraw/zinc/77/27/28/1032772728.db2.gz QDEUXFUDBCULSO-OAQYLSRUSA-N 2 2 320.480 3.574 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccncc1 ZINC000675928732 1018627722 /nfs/dbraw/zinc/62/77/22/1018627722.db2.gz WDRCLOALJITRJT-HOTGVXAUSA-N 2 2 306.413 3.722 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000858138332 1032777094 /nfs/dbraw/zinc/77/70/94/1032777094.db2.gz XCDLOJLSTFYUNA-OLZOCXBDSA-N 2 2 303.475 3.820 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000858138332 1032777110 /nfs/dbraw/zinc/77/71/10/1032777110.db2.gz XCDLOJLSTFYUNA-OLZOCXBDSA-N 2 2 303.475 3.820 20 0 DHADLP c1coc(-c2ncc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)s2)c1 ZINC000278442668 1018698860 /nfs/dbraw/zinc/69/88/60/1018698860.db2.gz LVDPWGGXNYQOFW-LBPRGKRZSA-N 2 2 314.414 3.506 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccnc(Cl)c1 ZINC000765247589 1018728562 /nfs/dbraw/zinc/72/85/62/1018728562.db2.gz BAFFCOADEBANQQ-GXTWGEPZSA-N 2 2 306.841 3.697 20 0 DHADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000765308184 1018755053 /nfs/dbraw/zinc/75/50/53/1018755053.db2.gz QWLUNLRKKIXMGN-LJQANCHMSA-N 2 2 303.409 3.958 20 0 DHADLP C(=C\c1ccccc1)\C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000338715029 1018787251 /nfs/dbraw/zinc/78/72/51/1018787251.db2.gz XICALOZQJXATJN-TWGQIWQCSA-N 2 2 303.409 3.734 20 0 DHADLP CC[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000316053133 1018862300 /nfs/dbraw/zinc/86/23/00/1018862300.db2.gz OKBMYCOUGBRRSA-SJORKVTESA-N 2 2 301.478 3.999 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000921816504 1018899116 /nfs/dbraw/zinc/89/91/16/1018899116.db2.gz PHDKBCOLDHJOMU-UHFFFAOYSA-N 2 2 307.869 3.540 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C(C)(C)C(F)F ZINC000657830533 1018972713 /nfs/dbraw/zinc/97/27/13/1018972713.db2.gz JYGXQAYYLVQBKC-ZDUSSCGKSA-N 2 2 307.388 3.701 20 0 DHADLP COc1cccc(F)c1C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171621046 1032803001 /nfs/dbraw/zinc/80/30/01/1032803001.db2.gz GZQYQQWMOKLKAR-UHFFFAOYSA-N 2 2 308.441 3.575 20 0 DHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc2ccncc2s1 ZINC000657843925 1019133270 /nfs/dbraw/zinc/13/32/70/1019133270.db2.gz LKZPWLFPFYUYJY-CYBMUJFWSA-N 2 2 300.431 3.624 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996740 1032812464 /nfs/dbraw/zinc/81/24/64/1032812464.db2.gz CQCCBUQDGCOEKD-LBPRGKRZSA-N 2 2 304.821 3.851 20 0 DHADLP CO[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000338567700 1019209019 /nfs/dbraw/zinc/20/90/19/1019209019.db2.gz AIHFCPJLPIVDPK-OXQOHEQNSA-N 2 2 321.424 3.911 20 0 DHADLP FCC1(CF)CC([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000657859371 1019338727 /nfs/dbraw/zinc/33/87/27/1019338727.db2.gz SVSQPLACHAFMMW-SFHVURJKSA-N 2 2 322.443 3.719 20 0 DHADLP FCC1(CF)CC([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000657859371 1019338745 /nfs/dbraw/zinc/33/87/45/1019338745.db2.gz SVSQPLACHAFMMW-SFHVURJKSA-N 2 2 322.443 3.719 20 0 DHADLP COc1ccc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000092071677 1019501582 /nfs/dbraw/zinc/50/15/82/1019501582.db2.gz JMAVWQYLBNOFBS-SFHVURJKSA-N 2 2 321.424 3.951 20 0 DHADLP COc1ccc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2c1 ZINC000092071677 1019501594 /nfs/dbraw/zinc/50/15/94/1019501594.db2.gz JMAVWQYLBNOFBS-SFHVURJKSA-N 2 2 321.424 3.951 20 0 DHADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc12 ZINC000092073862 1019504660 /nfs/dbraw/zinc/50/46/60/1019504660.db2.gz DZSFQBHUJNYMOC-INIZCTEOSA-N 2 2 321.424 3.951 20 0 DHADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc12 ZINC000092073862 1019504665 /nfs/dbraw/zinc/50/46/65/1019504665.db2.gz DZSFQBHUJNYMOC-INIZCTEOSA-N 2 2 321.424 3.951 20 0 DHADLP Fc1ccc2oc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000093865725 1019589334 /nfs/dbraw/zinc/58/93/34/1019589334.db2.gz LHDOCXOBNLZIBU-INIZCTEOSA-N 2 2 312.344 3.620 20 0 DHADLP Fc1ccc2oc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2c1 ZINC000093865725 1019589346 /nfs/dbraw/zinc/58/93/46/1019589346.db2.gz LHDOCXOBNLZIBU-INIZCTEOSA-N 2 2 312.344 3.620 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(C)ccc1OC ZINC000093398348 1019595835 /nfs/dbraw/zinc/59/58/35/1019595835.db2.gz CFIDEHKRLJQCGW-RCCFBDPRSA-N 2 2 302.462 3.671 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(C)ccc1OC ZINC000093398348 1019595850 /nfs/dbraw/zinc/59/58/50/1019595850.db2.gz CFIDEHKRLJQCGW-RCCFBDPRSA-N 2 2 302.462 3.671 20 0 DHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168703762 1019599157 /nfs/dbraw/zinc/59/91/57/1019599157.db2.gz ASMPHXSYCSXOHB-GJZGRUSLSA-N 2 2 306.881 3.517 20 0 DHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168703762 1019599169 /nfs/dbraw/zinc/59/91/69/1019599169.db2.gz ASMPHXSYCSXOHB-GJZGRUSLSA-N 2 2 306.881 3.517 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc2cnccc2o1 ZINC000657867959 1019620731 /nfs/dbraw/zinc/62/07/31/1019620731.db2.gz LDKOXBRFDGGGJN-AWEZNQCLSA-N 2 2 310.401 3.766 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(C)(C)C(F)F ZINC000657882798 1019738168 /nfs/dbraw/zinc/73/81/68/1019738168.db2.gz MSMIDNRWHFGPIF-GDBMZVCRSA-N 2 2 310.432 3.920 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C(C)(C)C(F)F ZINC000657882798 1019738188 /nfs/dbraw/zinc/73/81/88/1019738188.db2.gz MSMIDNRWHFGPIF-GDBMZVCRSA-N 2 2 310.432 3.920 20 0 DHADLP Oc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000685468018 1019853255 /nfs/dbraw/zinc/85/32/55/1019853255.db2.gz AITWZGKXFOZFTB-WOJBJXKFSA-N 2 2 319.408 3.607 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CC(CF)(CF)C1)C1CC1 ZINC000657981866 1020063251 /nfs/dbraw/zinc/06/32/51/1020063251.db2.gz WASZTTZKCQHZIS-GOSISDBHSA-N 2 2 322.443 3.574 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CC(CF)(CF)C1)C1CC1 ZINC000657981866 1020063264 /nfs/dbraw/zinc/06/32/64/1020063264.db2.gz WASZTTZKCQHZIS-GOSISDBHSA-N 2 2 322.443 3.574 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)F)nc1 ZINC000658049913 1020116364 /nfs/dbraw/zinc/11/63/64/1020116364.db2.gz ZMFLBBRBLXQBMU-NOLJZWGESA-N 2 2 309.404 3.687 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)F)nc1 ZINC000658049913 1020116368 /nfs/dbraw/zinc/11/63/68/1020116368.db2.gz ZMFLBBRBLXQBMU-NOLJZWGESA-N 2 2 309.404 3.687 20 0 DHADLP CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658091737 1020135593 /nfs/dbraw/zinc/13/55/93/1020135593.db2.gz VGOIOURBMIUOPN-QAPCUYQASA-N 2 2 313.445 3.728 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]C/C=C\c1ccc(F)cc1)c1cccnc1 ZINC000922627771 1020175231 /nfs/dbraw/zinc/17/52/31/1020175231.db2.gz MTVIKHIRHQRWBI-UABKOXTMSA-N 2 2 313.420 3.517 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]C/C=C/c1cccc(F)c1)c1cccnc1 ZINC000922631195 1020177984 /nfs/dbraw/zinc/17/79/84/1020177984.db2.gz UFBWAKKJQVODNF-QTWIXLPOSA-N 2 2 313.420 3.517 20 0 DHADLP C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658225958 1020235811 /nfs/dbraw/zinc/23/58/11/1020235811.db2.gz XDERWWKWNHJVOU-BBRMVZONSA-N 2 2 305.372 3.958 20 0 DHADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000658287966 1020283860 /nfs/dbraw/zinc/28/38/60/1020283860.db2.gz PRYOQPUDOIJLOR-OXJNMPFZSA-N 2 2 309.457 3.884 20 0 DHADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000658287966 1020283868 /nfs/dbraw/zinc/28/38/68/1020283868.db2.gz PRYOQPUDOIJLOR-OXJNMPFZSA-N 2 2 309.457 3.884 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429006213 1020307785 /nfs/dbraw/zinc/30/77/85/1020307785.db2.gz NCJPNFHLRMZEEW-XJKSGUPXSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429006213 1020307793 /nfs/dbraw/zinc/30/77/93/1020307793.db2.gz NCJPNFHLRMZEEW-XJKSGUPXSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429006213 1020307802 /nfs/dbraw/zinc/30/78/02/1020307802.db2.gz NCJPNFHLRMZEEW-XJKSGUPXSA-N 2 2 323.278 3.538 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429006213 1020307809 /nfs/dbraw/zinc/30/78/09/1020307809.db2.gz NCJPNFHLRMZEEW-XJKSGUPXSA-N 2 2 323.278 3.538 20 0 DHADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C(F)(F)F)c2)CC1 ZINC000628243866 1020399215 /nfs/dbraw/zinc/39/92/15/1020399215.db2.gz JZMJWIFCESOOJP-UHFFFAOYSA-N 2 2 318.408 3.827 20 0 DHADLP C[NH+]1CCC2(CCC[N@H+]2Cc2csc(C(F)(F)F)c2)CC1 ZINC000628243866 1020399220 /nfs/dbraw/zinc/39/92/20/1020399220.db2.gz JZMJWIFCESOOJP-UHFFFAOYSA-N 2 2 318.408 3.827 20 0 DHADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569722900 1020445194 /nfs/dbraw/zinc/44/51/94/1020445194.db2.gz DUYBEAIJHJJKJD-GOSISDBHSA-N 2 2 319.518 3.766 20 0 DHADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569722900 1020445200 /nfs/dbraw/zinc/44/52/00/1020445200.db2.gz DUYBEAIJHJJKJD-GOSISDBHSA-N 2 2 319.518 3.766 20 0 DHADLP CC[N@H+](CC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)C1CC1 ZINC000474607944 1020507779 /nfs/dbraw/zinc/50/77/79/1020507779.db2.gz QEHDZOUPZYCVCC-HSBZDZAISA-N 2 2 306.416 3.818 20 0 DHADLP CC[N@@H+](CC[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)C1CC1 ZINC000474607944 1020507789 /nfs/dbraw/zinc/50/77/89/1020507789.db2.gz QEHDZOUPZYCVCC-HSBZDZAISA-N 2 2 306.416 3.818 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000765858514 1020525399 /nfs/dbraw/zinc/52/53/99/1020525399.db2.gz GZJKUORRRUWOPD-FGTMMUONSA-N 2 2 322.537 3.824 20 0 DHADLP Clc1cccc2c1SCC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353623087 1020525639 /nfs/dbraw/zinc/52/56/39/1020525639.db2.gz NXBOWLMELWHULP-ZWNOBZJWSA-N 2 2 319.861 3.747 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000394495713 1020722192 /nfs/dbraw/zinc/72/21/92/1020722192.db2.gz HCFACHAYKKDSEV-AWEZNQCLSA-N 2 2 301.459 3.771 20 0 DHADLP C[C@H](C[NH2+]Cc1nc(-c2ccccc2)cs1)C[NH+]1CCCC1 ZINC000066241780 1020754077 /nfs/dbraw/zinc/75/40/77/1020754077.db2.gz LVOOEXUVXSPQNM-OAHLLOKOSA-N 2 2 315.486 3.632 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001171959235 1032925734 /nfs/dbraw/zinc/92/57/34/1032925734.db2.gz SUZKJFIIDURQDN-XJKSGUPXSA-N 2 2 314.395 3.709 20 0 DHADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001171959235 1032925750 /nfs/dbraw/zinc/92/57/50/1032925750.db2.gz SUZKJFIIDURQDN-XJKSGUPXSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1C[C@@H]1C ZINC000414113622 1020905713 /nfs/dbraw/zinc/90/57/13/1020905713.db2.gz KXJUAHYWDZVVFN-IMBTUZDBSA-N 2 2 316.489 3.521 20 0 DHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000628371419 1020947018 /nfs/dbraw/zinc/94/70/18/1020947018.db2.gz DYFSBDZPXRTHBL-QAPCUYQASA-N 2 2 301.478 3.978 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000766270343 1021002817 /nfs/dbraw/zinc/00/28/17/1021002817.db2.gz AQZHOEDHGMVJQU-IRXDYDNUSA-N 2 2 309.457 3.884 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000766270343 1021002821 /nfs/dbraw/zinc/00/28/21/1021002821.db2.gz AQZHOEDHGMVJQU-IRXDYDNUSA-N 2 2 309.457 3.884 20 0 DHADLP Cc1cc(F)cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001143619571 1021121536 /nfs/dbraw/zinc/12/15/36/1021121536.db2.gz UXYHUOALESKJHG-UHFFFAOYSA-N 2 2 309.388 3.952 20 0 DHADLP Cc1cc(F)cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001143619571 1021121537 /nfs/dbraw/zinc/12/15/37/1021121537.db2.gz UXYHUOALESKJHG-UHFFFAOYSA-N 2 2 309.388 3.952 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cncnc1 ZINC001171973064 1032957803 /nfs/dbraw/zinc/95/78/03/1032957803.db2.gz VQRFULIODORVFD-LPHOPBHVSA-N 2 2 324.472 3.570 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cncnc1 ZINC001171973064 1032957810 /nfs/dbraw/zinc/95/78/10/1032957810.db2.gz VQRFULIODORVFD-LPHOPBHVSA-N 2 2 324.472 3.570 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](COc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000537967728 1032964121 /nfs/dbraw/zinc/96/41/21/1032964121.db2.gz XPKIYHISFMQDBV-YFVAEKQCSA-N 2 2 324.468 3.879 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](COc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000537967728 1032964139 /nfs/dbraw/zinc/96/41/39/1032964139.db2.gz XPKIYHISFMQDBV-YFVAEKQCSA-N 2 2 324.468 3.879 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](COc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000537967726 1032965114 /nfs/dbraw/zinc/96/51/14/1032965114.db2.gz XPKIYHISFMQDBV-QFUCXCTJSA-N 2 2 324.468 3.879 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](COc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000537967726 1032965120 /nfs/dbraw/zinc/96/51/20/1032965120.db2.gz XPKIYHISFMQDBV-QFUCXCTJSA-N 2 2 324.468 3.879 20 0 DHADLP Cc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000337394859 1032965262 /nfs/dbraw/zinc/96/52/62/1032965262.db2.gz OZVQEDKBVDFOQB-SFHVURJKSA-N 2 2 309.457 3.907 20 0 DHADLP Cc1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000337394859 1032965273 /nfs/dbraw/zinc/96/52/73/1032965273.db2.gz OZVQEDKBVDFOQB-SFHVURJKSA-N 2 2 309.457 3.907 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(-c2ccccc2)no1 ZINC000924591295 1021419247 /nfs/dbraw/zinc/41/92/47/1021419247.db2.gz HHGVFTCGTAGDFB-AWEZNQCLSA-N 2 2 311.429 3.619 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1nc2c(s1)CCCC2 ZINC000093399626 1021578351 /nfs/dbraw/zinc/57/83/51/1021578351.db2.gz HJPSXQSJZYALBM-LSDHHAIUSA-N 2 2 321.534 3.795 20 0 DHADLP COc1ccc2[nH+]ccc(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000892911001 1021677688 /nfs/dbraw/zinc/67/76/88/1021677688.db2.gz HSIXGWUWHWQDJC-AUUYWEPGSA-N 2 2 322.412 3.527 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163733905 1021695609 /nfs/dbraw/zinc/69/56/09/1021695609.db2.gz HLBVLVDLPSACJP-SFHVURJKSA-N 2 2 324.468 3.678 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000556591734 1021787288 /nfs/dbraw/zinc/78/72/88/1021787288.db2.gz MILAPQVQKYKSRY-WOUAJJJCSA-N 2 2 316.489 3.509 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000556591734 1021787301 /nfs/dbraw/zinc/78/73/01/1021787301.db2.gz MILAPQVQKYKSRY-WOUAJJJCSA-N 2 2 316.489 3.509 20 0 DHADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000893017910 1021801614 /nfs/dbraw/zinc/80/16/14/1021801614.db2.gz BBUXVTZQCCATBP-CXAGYDPISA-N 2 2 320.458 3.522 20 0 DHADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000893017910 1021801632 /nfs/dbraw/zinc/80/16/32/1021801632.db2.gz BBUXVTZQCCATBP-CXAGYDPISA-N 2 2 320.458 3.522 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000261996352 1021861525 /nfs/dbraw/zinc/86/15/25/1021861525.db2.gz ULSLECROLMDWHX-INIZCTEOSA-N 2 2 319.836 3.698 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000261996352 1021861539 /nfs/dbraw/zinc/86/15/39/1021861539.db2.gz ULSLECROLMDWHX-INIZCTEOSA-N 2 2 319.836 3.698 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2OC(F)F)c2ccccc21 ZINC000262383807 1021931373 /nfs/dbraw/zinc/93/13/73/1021931373.db2.gz ZBBRDOJKMPFBQB-CABCVRRESA-N 2 2 304.340 3.522 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000387260031 1022058195 /nfs/dbraw/zinc/05/81/95/1022058195.db2.gz UMACWSZWJBLDQD-GBESFXJTSA-N 2 2 304.478 3.617 20 0 DHADLP Cc1[nH+]c2ccc(-n3cnc4ccc(C[NH3+])cc43)cc2n1C(C)C ZINC001168847483 1022161106 /nfs/dbraw/zinc/16/11/06/1022161106.db2.gz HVGKCWBVOURCNV-UHFFFAOYSA-N 2 2 319.412 3.723 20 0 DHADLP CC[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000154001299 1022269876 /nfs/dbraw/zinc/26/98/76/1022269876.db2.gz ZEKPOGHQCOLBLO-QFBILLFUSA-N 2 2 316.489 3.665 20 0 DHADLP CC1(C)C[C@H](Nc2ccc(N3CCCC3)[nH+]c2)C[C@@](C)(C[NH3+])C1 ZINC001169142921 1022273942 /nfs/dbraw/zinc/27/39/42/1022273942.db2.gz HZCCVBIVCWQGGZ-QFBILLFUSA-N 2 2 316.493 3.637 20 0 DHADLP CC1(C)C[C@@H](Nc2ccc(-n3cccc3)c[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001169142700 1022275499 /nfs/dbraw/zinc/27/54/99/1022275499.db2.gz NUQLJKRNJZFNRJ-BEFAXECRSA-N 2 2 312.461 3.828 20 0 DHADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169145615 1022276647 /nfs/dbraw/zinc/27/66/47/1022276647.db2.gz NBPMZVIMMFSPDM-GFEQUFNTSA-N 2 2 308.510 3.875 20 0 DHADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169145615 1022276657 /nfs/dbraw/zinc/27/66/57/1022276657.db2.gz NBPMZVIMMFSPDM-GFEQUFNTSA-N 2 2 308.510 3.875 20 0 DHADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169145615 1022276661 /nfs/dbraw/zinc/27/66/61/1022276661.db2.gz NBPMZVIMMFSPDM-GFEQUFNTSA-N 2 2 308.510 3.875 20 0 DHADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169145615 1022276666 /nfs/dbraw/zinc/27/66/66/1022276666.db2.gz NBPMZVIMMFSPDM-GFEQUFNTSA-N 2 2 308.510 3.875 20 0 DHADLP Cc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c2c([nH+]1)CCCC2 ZINC001169145115 1022277945 /nfs/dbraw/zinc/27/79/45/1022277945.db2.gz SCAWQFGYBWOUTI-KUHUBIRLSA-N 2 2 316.493 3.619 20 0 DHADLP Cc1nc(C)c([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000111361279 1022285120 /nfs/dbraw/zinc/28/51/20/1022285120.db2.gz WYVHZAGSRHFDRH-OCCSQVGLSA-N 2 2 306.479 3.722 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](c2ccncc2)c2ccccc2C)CC1 ZINC001169219715 1022307351 /nfs/dbraw/zinc/30/73/51/1022307351.db2.gz IGZKHHHEOWPUEB-FQEVSTJZSA-N 2 2 309.457 3.553 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000155979960 1022432130 /nfs/dbraw/zinc/43/21/30/1022432130.db2.gz MDKACQDDOZLGHD-FXAWDEMLSA-N 2 2 309.457 3.787 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000155979960 1022432138 /nfs/dbraw/zinc/43/21/38/1022432138.db2.gz MDKACQDDOZLGHD-FXAWDEMLSA-N 2 2 309.457 3.787 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000236842495 1022468984 /nfs/dbraw/zinc/46/89/84/1022468984.db2.gz PUCWDSUBEOTUCM-IBGZPJMESA-N 2 2 324.468 3.936 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000236842495 1022468990 /nfs/dbraw/zinc/46/89/90/1022468990.db2.gz PUCWDSUBEOTUCM-IBGZPJMESA-N 2 2 324.468 3.936 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(N2CCCC2)[nH+]c1 ZINC001169699439 1022510935 /nfs/dbraw/zinc/51/09/35/1022510935.db2.gz YTBYYOWATSDCCL-SFHVURJKSA-N 2 2 322.456 3.922 20 0 DHADLP CC[NH+](CC)c1ccc(C)c(NCC23CC[NH+](CC2)CC3)c1 ZINC001169800176 1022542326 /nfs/dbraw/zinc/54/23/26/1022542326.db2.gz NWUWLZSDXTXXHZ-UHFFFAOYSA-N 2 2 301.478 3.739 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334844 1022691778 /nfs/dbraw/zinc/69/17/78/1022691778.db2.gz RURYCOWXPYXXAN-QSPRXWTASA-N 2 2 304.503 3.847 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417334844 1022691783 /nfs/dbraw/zinc/69/17/83/1022691783.db2.gz RURYCOWXPYXXAN-QSPRXWTASA-N 2 2 304.503 3.847 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)o1 ZINC000767374491 1022699456 /nfs/dbraw/zinc/69/94/56/1022699456.db2.gz IDHLHSADYDMWDE-FOIQADDNSA-N 2 2 312.457 3.897 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)o1 ZINC000767374491 1022699460 /nfs/dbraw/zinc/69/94/60/1022699460.db2.gz IDHLHSADYDMWDE-FOIQADDNSA-N 2 2 312.457 3.897 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)o1 ZINC000767374493 1022702863 /nfs/dbraw/zinc/70/28/63/1022702863.db2.gz IDHLHSADYDMWDE-QRWLVFNGSA-N 2 2 312.457 3.897 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)o1 ZINC000767374494 1022702671 /nfs/dbraw/zinc/70/26/71/1022702671.db2.gz IDHLHSADYDMWDE-YWZLYKJASA-N 2 2 312.457 3.897 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)o1 ZINC000767374494 1022702683 /nfs/dbraw/zinc/70/26/83/1022702683.db2.gz IDHLHSADYDMWDE-YWZLYKJASA-N 2 2 312.457 3.897 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)o1 ZINC000767374493 1022702850 /nfs/dbraw/zinc/70/28/50/1022702850.db2.gz IDHLHSADYDMWDE-QRWLVFNGSA-N 2 2 312.457 3.897 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873355 1022832485 /nfs/dbraw/zinc/83/24/85/1022832485.db2.gz BZCHCQMPUSETMG-HNNXBMFYSA-N 2 2 323.362 3.700 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873355 1022832499 /nfs/dbraw/zinc/83/24/99/1022832499.db2.gz BZCHCQMPUSETMG-HNNXBMFYSA-N 2 2 323.362 3.700 20 0 DHADLP FC(F)(F)[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925641755 1022926426 /nfs/dbraw/zinc/92/64/26/1022926426.db2.gz APSWGDVPMNCDOO-GJZGRUSLSA-N 2 2 312.379 3.597 20 0 DHADLP Cc1ccc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000397894901 1022990417 /nfs/dbraw/zinc/99/04/17/1022990417.db2.gz IEJKFOXWSCSHHR-FQEVSTJZSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1ccc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000397894901 1022990428 /nfs/dbraw/zinc/99/04/28/1022990428.db2.gz IEJKFOXWSCSHHR-FQEVSTJZSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(OC(C)(C)C)c1 ZINC000165894562 1022999054 /nfs/dbraw/zinc/99/90/54/1022999054.db2.gz GQSMJBCVEVQTOL-WBVHZDCISA-N 2 2 304.478 3.745 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(OC(C)(C)C)c1 ZINC000165894562 1022999063 /nfs/dbraw/zinc/99/90/63/1022999063.db2.gz GQSMJBCVEVQTOL-WBVHZDCISA-N 2 2 304.478 3.745 20 0 DHADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000397921776 1023001323 /nfs/dbraw/zinc/00/13/23/1023001323.db2.gz OLHPPFRJJQAWAO-AQNXPRMDSA-N 2 2 316.489 3.588 20 0 DHADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000397921776 1023001335 /nfs/dbraw/zinc/00/13/35/1023001335.db2.gz OLHPPFRJJQAWAO-AQNXPRMDSA-N 2 2 316.489 3.588 20 0 DHADLP CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337622453 1033102528 /nfs/dbraw/zinc/10/25/28/1033102528.db2.gz HDETYSFCXRIXQZ-UHFFFAOYSA-N 2 2 321.424 3.903 20 0 DHADLP CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337622453 1033102541 /nfs/dbraw/zinc/10/25/41/1033102541.db2.gz HDETYSFCXRIXQZ-UHFFFAOYSA-N 2 2 321.424 3.903 20 0 DHADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2nc(C(C)(C)C)cs2)CC1 ZINC000769163051 1023094899 /nfs/dbraw/zinc/09/48/99/1023094899.db2.gz QYGOPOUKOXRJBN-UHFFFAOYSA-N 2 2 307.507 3.501 20 0 DHADLP C[NH+]1CCC2(CCC[N@H+]2Cc2nc(C(C)(C)C)cs2)CC1 ZINC000769163051 1023094911 /nfs/dbraw/zinc/09/49/11/1023094911.db2.gz QYGOPOUKOXRJBN-UHFFFAOYSA-N 2 2 307.507 3.501 20 0 DHADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000387071734 1023118467 /nfs/dbraw/zinc/11/84/67/1023118467.db2.gz UNDBTSKTBMTLNO-HOCLYGCPSA-N 2 2 312.379 3.669 20 0 DHADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000387071734 1023118472 /nfs/dbraw/zinc/11/84/72/1023118472.db2.gz UNDBTSKTBMTLNO-HOCLYGCPSA-N 2 2 312.379 3.669 20 0 DHADLP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000769865434 1023222361 /nfs/dbraw/zinc/22/23/61/1023222361.db2.gz CKZZTERLBUQDFD-CQSZACIVSA-N 2 2 324.428 3.641 20 0 DHADLP CC[C@H](C)OCC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172336681 1033120434 /nfs/dbraw/zinc/12/04/34/1033120434.db2.gz USOHTYQQYYXJCO-XSLAGTTESA-N 2 2 319.493 3.752 20 0 DHADLP c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)co1 ZINC000770353430 1023305101 /nfs/dbraw/zinc/30/51/01/1023305101.db2.gz SHQPNQGFNORSLR-VQTJNVASSA-N 2 2 310.441 3.766 20 0 DHADLP c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)co1 ZINC000770353430 1023305106 /nfs/dbraw/zinc/30/51/06/1023305106.db2.gz SHQPNQGFNORSLR-VQTJNVASSA-N 2 2 310.441 3.766 20 0 DHADLP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)co1 ZINC000770353430 1023305113 /nfs/dbraw/zinc/30/51/13/1023305113.db2.gz SHQPNQGFNORSLR-VQTJNVASSA-N 2 2 310.441 3.766 20 0 DHADLP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)co1 ZINC000770353430 1023305118 /nfs/dbraw/zinc/30/51/18/1023305118.db2.gz SHQPNQGFNORSLR-VQTJNVASSA-N 2 2 310.441 3.766 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ncco1 ZINC000924669120 1033121650 /nfs/dbraw/zinc/12/16/50/1033121650.db2.gz IYCFTAGSPUTKEF-HZPDHXFCSA-N 2 2 313.445 3.900 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ncco1 ZINC000924669120 1033121658 /nfs/dbraw/zinc/12/16/58/1033121658.db2.gz IYCFTAGSPUTKEF-HZPDHXFCSA-N 2 2 313.445 3.900 20 0 DHADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000651670299 1023441748 /nfs/dbraw/zinc/44/17/48/1023441748.db2.gz CVFJNWKROOUTSE-HNNXBMFYSA-N 2 2 308.828 3.683 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651725780 1023499009 /nfs/dbraw/zinc/49/90/09/1023499009.db2.gz OZWYFQRMJOBECU-JTDSTZFVSA-N 2 2 309.457 3.882 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651725780 1023499015 /nfs/dbraw/zinc/49/90/15/1023499015.db2.gz OZWYFQRMJOBECU-JTDSTZFVSA-N 2 2 309.457 3.882 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2F)cc1 ZINC000825916865 1033150411 /nfs/dbraw/zinc/15/04/11/1033150411.db2.gz VOFNWIXYGMKHJM-UHFFFAOYSA-N 2 2 322.374 3.798 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2F)cc1 ZINC000825916865 1033150420 /nfs/dbraw/zinc/15/04/20/1033150420.db2.gz VOFNWIXYGMKHJM-UHFFFAOYSA-N 2 2 322.374 3.798 20 0 DHADLP CC(C)CCC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001170057940 1023694961 /nfs/dbraw/zinc/69/49/61/1023694961.db2.gz QWJREITVYRVCFW-GOSISDBHSA-N 2 2 318.505 3.823 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](c1cccnc1)C1CCCCC1)C2 ZINC000652199746 1023700941 /nfs/dbraw/zinc/70/09/41/1023700941.db2.gz AZGUBGAVGICOOI-QFBILLFUSA-N 2 2 310.445 3.573 20 0 DHADLP CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000746599878 1023720733 /nfs/dbraw/zinc/72/07/33/1023720733.db2.gz DXUUJBKMBRRIHD-UCLAIMLFSA-N 2 2 313.445 3.727 20 0 DHADLP CCOCC[C@@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001172427305 1033163367 /nfs/dbraw/zinc/16/33/67/1033163367.db2.gz NJXJOCNZLNWMIU-MRXNPFEDSA-N 2 2 322.468 3.537 20 0 DHADLP CCOCC[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001172427305 1033163384 /nfs/dbraw/zinc/16/33/84/1033163384.db2.gz NJXJOCNZLNWMIU-MRXNPFEDSA-N 2 2 322.468 3.537 20 0 DHADLP Cc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@@H](C)[C@H](C)C2)[nH+]c1 ZINC001172384620 1033169950 /nfs/dbraw/zinc/16/99/50/1033169950.db2.gz VOFOKSJRDNAHTN-JFIYKMOQSA-N 2 2 301.478 3.773 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000245713350 1023893244 /nfs/dbraw/zinc/89/32/44/1023893244.db2.gz NWASPCTUXJSGRC-UKBAYJJMSA-N 2 2 304.478 3.615 20 0 DHADLP CN(C)c1cc(CSCC[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000788508947 1023898340 /nfs/dbraw/zinc/89/83/40/1023898340.db2.gz KSMGOSMHSUDZQE-UHFFFAOYSA-N 2 2 315.486 3.513 20 0 DHADLP CN(C)c1cc(CSCC[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000788508947 1023898347 /nfs/dbraw/zinc/89/83/47/1023898347.db2.gz KSMGOSMHSUDZQE-UHFFFAOYSA-N 2 2 315.486 3.513 20 0 DHADLP Clc1ccccc1SCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066173 1023922009 /nfs/dbraw/zinc/92/20/09/1023922009.db2.gz LDTPCEXWHXMTEY-DZGCQCFKSA-N 2 2 310.894 3.506 20 0 DHADLP Clc1ccccc1SCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643066173 1023922015 /nfs/dbraw/zinc/92/20/15/1023922015.db2.gz LDTPCEXWHXMTEY-DZGCQCFKSA-N 2 2 310.894 3.506 20 0 DHADLP CC[C@H](CC(C)C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001172397181 1033182251 /nfs/dbraw/zinc/18/22/51/1033182251.db2.gz JTNRVXZMMLSLLE-BBWFWOEESA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001172397181 1033182254 /nfs/dbraw/zinc/18/22/54/1033182254.db2.gz JTNRVXZMMLSLLE-BBWFWOEESA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001172397181 1033182259 /nfs/dbraw/zinc/18/22/59/1033182259.db2.gz JTNRVXZMMLSLLE-BBWFWOEESA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001172397181 1033182265 /nfs/dbraw/zinc/18/22/65/1033182265.db2.gz JTNRVXZMMLSLLE-BBWFWOEESA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@@H](CC(C)C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001172396905 1033182411 /nfs/dbraw/zinc/18/24/11/1033182411.db2.gz HPNPLDSIZUXACD-SJORKVTESA-N 2 2 320.525 3.925 20 0 DHADLP CC[C@@H](CC(C)C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001172396905 1033182420 /nfs/dbraw/zinc/18/24/20/1033182420.db2.gz HPNPLDSIZUXACD-SJORKVTESA-N 2 2 320.525 3.925 20 0 DHADLP CC[C@@H](CC(C)C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001172396905 1033182426 /nfs/dbraw/zinc/18/24/26/1033182426.db2.gz HPNPLDSIZUXACD-SJORKVTESA-N 2 2 320.525 3.925 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000538800251 1033187026 /nfs/dbraw/zinc/18/70/26/1033187026.db2.gz ZCIZCBULKCZNHI-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000538800251 1033187034 /nfs/dbraw/zinc/18/70/34/1033187034.db2.gz ZCIZCBULKCZNHI-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000538800251 1033187041 /nfs/dbraw/zinc/18/70/41/1033187041.db2.gz ZCIZCBULKCZNHI-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000538800251 1033187050 /nfs/dbraw/zinc/18/70/50/1033187050.db2.gz ZCIZCBULKCZNHI-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000268821995 1024172449 /nfs/dbraw/zinc/17/24/49/1024172449.db2.gz ODVLFBZTHOBBRW-RYUDHWBXSA-N 2 2 313.323 3.521 20 0 DHADLP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663344482 1024174070 /nfs/dbraw/zinc/17/40/70/1024174070.db2.gz UMNIYCBSUYUESX-OAHLLOKOSA-N 2 2 321.534 3.652 20 0 DHADLP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663344482 1024174078 /nfs/dbraw/zinc/17/40/78/1024174078.db2.gz UMNIYCBSUYUESX-OAHLLOKOSA-N 2 2 321.534 3.652 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000268845946 1024177505 /nfs/dbraw/zinc/17/75/05/1024177505.db2.gz VGLLDPJJCCXHGB-WFASDCNBSA-N 2 2 309.360 3.614 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000268851755 1024179613 /nfs/dbraw/zinc/17/96/13/1024179613.db2.gz WMRBMEOJNLKJOM-VXGBXAGGSA-N 2 2 313.323 3.521 20 0 DHADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000663355366 1024199917 /nfs/dbraw/zinc/19/99/17/1024199917.db2.gz OCGNPHMDNHYUAZ-UHFFFAOYSA-N 2 2 311.351 3.941 20 0 DHADLP C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268987513 1024212731 /nfs/dbraw/zinc/21/27/31/1024212731.db2.gz LUMWPWKLILUJJO-OXJNMPFZSA-N 2 2 321.424 3.647 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000269003733 1024218992 /nfs/dbraw/zinc/21/89/92/1024218992.db2.gz MCAXGZUAYMUUCW-NSHDSACASA-N 2 2 312.379 3.771 20 0 DHADLP Cc1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)sn1 ZINC000876993633 1033199120 /nfs/dbraw/zinc/19/91/20/1033199120.db2.gz LYXACMZNUXDGFA-UHFFFAOYSA-N 2 2 307.507 3.586 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@H](C2CC2)C2CCCC2)c[nH+]1 ZINC000453068856 1024298703 /nfs/dbraw/zinc/29/87/03/1024298703.db2.gz JVUYCWIWADBEHU-FQEVSTJZSA-N 2 2 309.457 3.990 20 0 DHADLP c1coc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453059516 1024311256 /nfs/dbraw/zinc/31/12/56/1024311256.db2.gz QLGDIEDVHYJMTM-AABGKKOBSA-N 2 2 310.441 3.812 20 0 DHADLP c1coc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453059516 1024311273 /nfs/dbraw/zinc/31/12/73/1024311273.db2.gz QLGDIEDVHYJMTM-AABGKKOBSA-N 2 2 310.441 3.812 20 0 DHADLP C[C@H](Cc1ccsc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387019 1024420705 /nfs/dbraw/zinc/42/07/05/1024420705.db2.gz QOHHQWLPMZEATF-CRAIPNDOSA-N 2 2 311.454 3.907 20 0 DHADLP COc1cccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883387557 1024420760 /nfs/dbraw/zinc/42/07/60/1024420760.db2.gz ZNRIVBNHGBZCLS-OXQOHEQNSA-N 2 2 321.424 3.984 20 0 DHADLP C[C@H](CCc1cccnc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388834 1024422659 /nfs/dbraw/zinc/42/26/59/1024422659.db2.gz DUFOMCWIELTJRV-XLIONFOSSA-N 2 2 320.440 3.630 20 0 DHADLP COc1cc(C)ccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883397840 1024427551 /nfs/dbraw/zinc/42/75/51/1024427551.db2.gz XGJHENQEKWLIMQ-IBGZPJMESA-N 2 2 321.424 3.731 20 0 DHADLP Clc1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)c2ncccc12 ZINC000883458642 1024437549 /nfs/dbraw/zinc/43/75/49/1024437549.db2.gz RLISQSKWJGRUFM-UHFFFAOYSA-N 2 2 315.848 3.606 20 0 DHADLP Clc1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)c2ncccc12 ZINC000883458642 1024437556 /nfs/dbraw/zinc/43/75/56/1024437556.db2.gz RLISQSKWJGRUFM-UHFFFAOYSA-N 2 2 315.848 3.606 20 0 DHADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)CC(F)(F)F ZINC000663479138 1024441408 /nfs/dbraw/zinc/44/14/08/1024441408.db2.gz NSCVBHZEGQSCKF-UHFFFAOYSA-N 2 2 315.383 3.619 20 0 DHADLP CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453411979 1024505500 /nfs/dbraw/zinc/50/55/00/1024505500.db2.gz SDPDAANDULTECP-ATZDWAIDSA-N 2 2 313.445 3.871 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000271497475 1024522869 /nfs/dbraw/zinc/52/28/69/1024522869.db2.gz LLIFCFGDHMPBFS-ACJLOTCBSA-N 2 2 321.428 3.632 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+]CC[N@@H+]3CC[C@@H](C)C3)ccc2c1 ZINC000532239236 1024586471 /nfs/dbraw/zinc/58/64/71/1024586471.db2.gz YRWNDFMWXJAJSI-CVEARBPZSA-N 2 2 312.457 3.841 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+]CC[N@H+]3CC[C@@H](C)C3)ccc2c1 ZINC000532239236 1024586475 /nfs/dbraw/zinc/58/64/75/1024586475.db2.gz YRWNDFMWXJAJSI-CVEARBPZSA-N 2 2 312.457 3.841 20 0 DHADLP CC[N@H+](CCc1ccccn1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000792241314 1024652064 /nfs/dbraw/zinc/65/20/64/1024652064.db2.gz IWTFCQZEOPZFRP-UHFFFAOYSA-N 2 2 320.440 3.640 20 0 DHADLP CC[N@@H+](CCc1ccccn1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000792241314 1024652066 /nfs/dbraw/zinc/65/20/66/1024652066.db2.gz IWTFCQZEOPZFRP-UHFFFAOYSA-N 2 2 320.440 3.640 20 0 DHADLP CCc1cnc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000348970118 1024656555 /nfs/dbraw/zinc/65/65/55/1024656555.db2.gz VBCLHVBUTMQDRI-UHFFFAOYSA-N 2 2 317.502 3.789 20 0 DHADLP CCc1cnc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000348970118 1024656566 /nfs/dbraw/zinc/65/65/66/1024656566.db2.gz VBCLHVBUTMQDRI-UHFFFAOYSA-N 2 2 317.502 3.789 20 0 DHADLP Cc1[nH+]cn([C@H](C)Cc2ccc(Cl)cc2)c1CSCC[NH3+] ZINC001168153020 1024677869 /nfs/dbraw/zinc/67/78/69/1024677869.db2.gz DFGOFTVEIKJLAR-GFCCVEGCSA-N 2 2 323.893 3.841 20 0 DHADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000349148627 1024681255 /nfs/dbraw/zinc/68/12/55/1024681255.db2.gz KDRCZTMFWVMKJE-KRWDZBQOSA-N 2 2 321.424 3.978 20 0 DHADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000349148627 1024681259 /nfs/dbraw/zinc/68/12/59/1024681259.db2.gz KDRCZTMFWVMKJE-KRWDZBQOSA-N 2 2 321.424 3.978 20 0 DHADLP C[NH+]1CCC([N@H+](C/C=C\c2ccncc2)Cc2ccccc2)CC1 ZINC000349235943 1024691273 /nfs/dbraw/zinc/69/12/73/1024691273.db2.gz CWLOHEUAEKLZIL-YVMONPNESA-N 2 2 321.468 3.691 20 0 DHADLP C[NH+]1CCC([N@@H+](C/C=C\c2ccncc2)Cc2ccccc2)CC1 ZINC000349235943 1024691281 /nfs/dbraw/zinc/69/12/81/1024691281.db2.gz CWLOHEUAEKLZIL-YVMONPNESA-N 2 2 321.468 3.691 20 0 DHADLP CC(C)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccnc1 ZINC000349238244 1024692380 /nfs/dbraw/zinc/69/23/80/1024692380.db2.gz GXTKLXRATDAZMF-UHFFFAOYSA-N 2 2 312.442 3.739 20 0 DHADLP CC(C)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccnc1 ZINC000349238244 1024692382 /nfs/dbraw/zinc/69/23/82/1024692382.db2.gz GXTKLXRATDAZMF-UHFFFAOYSA-N 2 2 312.442 3.739 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001168157222 1024711160 /nfs/dbraw/zinc/71/11/60/1024711160.db2.gz YQVMRHCISZHBOC-CVEARBPZSA-N 2 2 308.897 3.981 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000349413856 1024714449 /nfs/dbraw/zinc/71/44/49/1024714449.db2.gz FOUFPQVCUCROQT-UHFFFAOYSA-N 2 2 306.347 3.618 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000349413856 1024714459 /nfs/dbraw/zinc/71/44/59/1024714459.db2.gz FOUFPQVCUCROQT-UHFFFAOYSA-N 2 2 306.347 3.618 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)CC2 ZINC000321261744 1024730793 /nfs/dbraw/zinc/73/07/93/1024730793.db2.gz ZDFZYYAHBUMKJE-MSOLQXFVSA-N 2 2 313.445 3.584 20 0 DHADLP COC1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000666164097 1024740668 /nfs/dbraw/zinc/74/06/68/1024740668.db2.gz GIGZFVYZCMUNNX-JLAWEPINSA-N 2 2 316.489 3.587 20 0 DHADLP COC1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000666164097 1024740678 /nfs/dbraw/zinc/74/06/78/1024740678.db2.gz GIGZFVYZCMUNNX-JLAWEPINSA-N 2 2 316.489 3.587 20 0 DHADLP COC1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000666164098 1024742246 /nfs/dbraw/zinc/74/22/46/1024742246.db2.gz GIGZFVYZCMUNNX-XBMUEBEBSA-N 2 2 316.489 3.587 20 0 DHADLP COC1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000666164098 1024742261 /nfs/dbraw/zinc/74/22/61/1024742261.db2.gz GIGZFVYZCMUNNX-XBMUEBEBSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001168167040 1024745010 /nfs/dbraw/zinc/74/50/10/1024745010.db2.gz KXUNHTCAAPUGNM-KUHUBIRLSA-N 2 2 314.860 3.657 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001168167040 1024745023 /nfs/dbraw/zinc/74/50/23/1024745023.db2.gz KXUNHTCAAPUGNM-KUHUBIRLSA-N 2 2 314.860 3.657 20 0 DHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000349816260 1024755348 /nfs/dbraw/zinc/75/53/48/1024755348.db2.gz KSIXHNOJMOLTEC-UHFFFAOYSA-N 2 2 320.525 3.560 20 0 DHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000349816260 1024755364 /nfs/dbraw/zinc/75/53/64/1024755364.db2.gz KSIXHNOJMOLTEC-UHFFFAOYSA-N 2 2 320.525 3.560 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000350615305 1024830207 /nfs/dbraw/zinc/83/02/07/1024830207.db2.gz DJPAKFMPPUKYMK-FQEVSTJZSA-N 2 2 317.436 3.937 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000350615305 1024830223 /nfs/dbraw/zinc/83/02/23/1024830223.db2.gz DJPAKFMPPUKYMK-FQEVSTJZSA-N 2 2 317.436 3.937 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3c2cccc3C)cn1 ZINC000126322379 1033236927 /nfs/dbraw/zinc/23/69/27/1033236927.db2.gz PBAWTKLFILYQAL-LJQANCHMSA-N 2 2 318.424 3.661 20 0 DHADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cn1 ZINC000352557171 1024922837 /nfs/dbraw/zinc/92/28/37/1024922837.db2.gz KHJHEHVXQZKCEG-INIZCTEOSA-N 2 2 310.376 3.647 20 0 DHADLP CC1(Nc2[nH+]ccc3cccc(C(F)(F)F)c32)CC[NH2+]CC1 ZINC001168183659 1024941938 /nfs/dbraw/zinc/94/19/38/1024941938.db2.gz LMMHPLOVTOCISK-UHFFFAOYSA-N 2 2 309.335 3.808 20 0 DHADLP FCC[C@H]1CCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000353443990 1025069041 /nfs/dbraw/zinc/06/90/41/1025069041.db2.gz FDQITWYTJCUCOE-QZTJIDSGSA-N 2 2 315.436 3.592 20 0 DHADLP Clc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353607004 1025149184 /nfs/dbraw/zinc/14/91/84/1025149184.db2.gz FZFCIVUJWKRYJV-IAQYHMDHSA-N 2 2 301.821 3.588 20 0 DHADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000279692571 1025155610 /nfs/dbraw/zinc/15/56/10/1025155610.db2.gz IHKKFWLPBQTHEE-APWZRJJASA-N 2 2 313.445 3.640 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000353636861 1025164715 /nfs/dbraw/zinc/16/47/15/1025164715.db2.gz PLNSEJZPKBIFHF-INIZCTEOSA-N 2 2 321.424 3.791 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000353636862 1025166288 /nfs/dbraw/zinc/16/62/88/1025166288.db2.gz PLNSEJZPKBIFHF-MRXNPFEDSA-N 2 2 321.424 3.791 20 0 DHADLP Fc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1F ZINC000635011281 1025172288 /nfs/dbraw/zinc/17/22/88/1025172288.db2.gz YRPUHWPVHSWUNC-DOTOQJQBSA-N 2 2 302.368 3.548 20 0 DHADLP c1ccc([C@@H]2CC[C@@H](N(c3cccc[nH+]3)C3CC[NH2+]CC3)C2)cc1 ZINC001172568874 1033265057 /nfs/dbraw/zinc/26/50/57/1033265057.db2.gz OMIXDOGYWBNXKU-UYAOXDASSA-N 2 2 321.468 3.976 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000040622134 1025242044 /nfs/dbraw/zinc/24/20/44/1025242044.db2.gz RDYACRSRJKHXAZ-LBPRGKRZSA-N 2 2 301.261 3.813 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000040622134 1025242050 /nfs/dbraw/zinc/24/20/50/1025242050.db2.gz RDYACRSRJKHXAZ-LBPRGKRZSA-N 2 2 301.261 3.813 20 0 DHADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623424856 1025218799 /nfs/dbraw/zinc/21/87/99/1025218799.db2.gz HXJPVCXQQJXBQU-CABCVRRESA-N 2 2 314.477 3.580 20 0 DHADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623424856 1025218806 /nfs/dbraw/zinc/21/88/06/1025218806.db2.gz HXJPVCXQQJXBQU-CABCVRRESA-N 2 2 314.477 3.580 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(CC(C)C)s2)C[C@@H]1C ZINC000353764835 1025240385 /nfs/dbraw/zinc/24/03/85/1025240385.db2.gz AOWYCLLPMGIWBK-GJZGRUSLSA-N 2 2 309.523 3.646 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(CC(C)C)s2)C[C@@H]1C ZINC000353764835 1025240391 /nfs/dbraw/zinc/24/03/91/1025240391.db2.gz AOWYCLLPMGIWBK-GJZGRUSLSA-N 2 2 309.523 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(CC(C)C)s2)C[C@@H]1C ZINC000353764835 1025240401 /nfs/dbraw/zinc/24/04/01/1025240401.db2.gz AOWYCLLPMGIWBK-GJZGRUSLSA-N 2 2 309.523 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(CC(C)C)s2)C[C@@H]1C ZINC000353764835 1025240408 /nfs/dbraw/zinc/24/04/08/1025240408.db2.gz AOWYCLLPMGIWBK-GJZGRUSLSA-N 2 2 309.523 3.646 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000040622132 1025240585 /nfs/dbraw/zinc/24/05/85/1025240585.db2.gz RDYACRSRJKHXAZ-GFCCVEGCSA-N 2 2 301.261 3.813 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000040622132 1025240596 /nfs/dbraw/zinc/24/05/96/1025240596.db2.gz RDYACRSRJKHXAZ-GFCCVEGCSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(CC(C)C)s2)C[C@@H]1C ZINC000353764837 1025241255 /nfs/dbraw/zinc/24/12/55/1025241255.db2.gz AOWYCLLPMGIWBK-LSDHHAIUSA-N 2 2 309.523 3.646 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(CC(C)C)s2)C[C@@H]1C ZINC000353764837 1025241263 /nfs/dbraw/zinc/24/12/63/1025241263.db2.gz AOWYCLLPMGIWBK-LSDHHAIUSA-N 2 2 309.523 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(CC(C)C)s2)C[C@@H]1C ZINC000353764837 1025241275 /nfs/dbraw/zinc/24/12/75/1025241275.db2.gz AOWYCLLPMGIWBK-LSDHHAIUSA-N 2 2 309.523 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(CC(C)C)s2)C[C@@H]1C ZINC000353764837 1025241282 /nfs/dbraw/zinc/24/12/82/1025241282.db2.gz AOWYCLLPMGIWBK-LSDHHAIUSA-N 2 2 309.523 3.646 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)C2 ZINC000112539979 1025250222 /nfs/dbraw/zinc/25/02/22/1025250222.db2.gz JYRQZMRBAUKXID-WCQYABFASA-N 2 2 307.800 3.650 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000123778943 1025398668 /nfs/dbraw/zinc/39/86/68/1025398668.db2.gz GNOLQLXJMMRUMT-HNNXBMFYSA-N 2 2 303.837 3.528 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000123778943 1025398672 /nfs/dbraw/zinc/39/86/72/1025398672.db2.gz GNOLQLXJMMRUMT-HNNXBMFYSA-N 2 2 303.837 3.528 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccsc2S1 ZINC000222018640 1025598214 /nfs/dbraw/zinc/59/82/14/1025598214.db2.gz QIRXYRXSTDVVFD-MXAVVETBSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c2ccsc2S1 ZINC000222018640 1025598224 /nfs/dbraw/zinc/59/82/24/1025598224.db2.gz QIRXYRXSTDVVFD-MXAVVETBSA-N 2 2 308.516 3.890 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000886709860 1025821729 /nfs/dbraw/zinc/82/17/29/1025821729.db2.gz ZIMKWRNZNOLEHN-UHFFFAOYSA-N 2 2 324.415 3.738 20 0 DHADLP Fc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1C(F)F ZINC000894113412 1025916016 /nfs/dbraw/zinc/91/60/16/1025916016.db2.gz OBBVUHFLIRLDIZ-CQSZACIVSA-N 2 2 322.330 3.812 20 0 DHADLP Fc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1C(F)F ZINC000894113412 1025916030 /nfs/dbraw/zinc/91/60/30/1025916030.db2.gz OBBVUHFLIRLDIZ-CQSZACIVSA-N 2 2 322.330 3.812 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310651 1026020100 /nfs/dbraw/zinc/02/01/00/1026020100.db2.gz VFXOPUANLPGDQL-BXUZGUMPSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310651 1026020118 /nfs/dbraw/zinc/02/01/18/1026020118.db2.gz VFXOPUANLPGDQL-BXUZGUMPSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310651 1026020133 /nfs/dbraw/zinc/02/01/33/1026020133.db2.gz VFXOPUANLPGDQL-BXUZGUMPSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cscc2C(F)(F)F)C1 ZINC000356310651 1026020148 /nfs/dbraw/zinc/02/01/48/1026020148.db2.gz VFXOPUANLPGDQL-BXUZGUMPSA-N 2 2 318.408 3.683 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245542285 1026066837 /nfs/dbraw/zinc/06/68/37/1026066837.db2.gz JYJCAYQPLGADDY-JKSUJKDBSA-N 2 2 313.445 3.839 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245542285 1026066852 /nfs/dbraw/zinc/06/68/52/1026066852.db2.gz JYJCAYQPLGADDY-JKSUJKDBSA-N 2 2 313.445 3.839 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000353747649 1026308178 /nfs/dbraw/zinc/30/81/78/1026308178.db2.gz PTCOYZCFIZQBLH-ZIAGYGMSSA-N 2 2 309.523 3.745 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000353747649 1026308192 /nfs/dbraw/zinc/30/81/92/1026308192.db2.gz PTCOYZCFIZQBLH-ZIAGYGMSSA-N 2 2 309.523 3.745 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000353747649 1026308210 /nfs/dbraw/zinc/30/82/10/1026308210.db2.gz PTCOYZCFIZQBLH-ZIAGYGMSSA-N 2 2 309.523 3.745 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)C[C@H]1C ZINC000353747649 1026308224 /nfs/dbraw/zinc/30/82/24/1026308224.db2.gz PTCOYZCFIZQBLH-ZIAGYGMSSA-N 2 2 309.523 3.745 20 0 DHADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000430146875 1026470547 /nfs/dbraw/zinc/47/05/47/1026470547.db2.gz NBCPSKCPGBYPHJ-QGZVFWFLSA-N 2 2 304.821 3.614 20 0 DHADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000430146875 1026470553 /nfs/dbraw/zinc/47/05/53/1026470553.db2.gz NBCPSKCPGBYPHJ-QGZVFWFLSA-N 2 2 304.821 3.614 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000430146875 1026470561 /nfs/dbraw/zinc/47/05/61/1026470561.db2.gz NBCPSKCPGBYPHJ-QGZVFWFLSA-N 2 2 304.821 3.614 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(Cl)oc4ccccc43)C2)C1 ZINC000430146875 1026470566 /nfs/dbraw/zinc/47/05/66/1026470566.db2.gz NBCPSKCPGBYPHJ-QGZVFWFLSA-N 2 2 304.821 3.614 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420309098 1026801713 /nfs/dbraw/zinc/80/17/13/1026801713.db2.gz OFFLBWDFJSGQEH-VXGBXAGGSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420309098 1026801723 /nfs/dbraw/zinc/80/17/23/1026801723.db2.gz OFFLBWDFJSGQEH-VXGBXAGGSA-N 2 2 321.877 3.633 20 0 DHADLP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cccc(C(F)F)c1 ZINC000420324097 1026803010 /nfs/dbraw/zinc/80/30/10/1026803010.db2.gz YYRRHFQZXRZANW-UHFFFAOYSA-N 2 2 304.384 3.628 20 0 DHADLP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cccc(C(F)F)c1 ZINC000420324097 1026803021 /nfs/dbraw/zinc/80/30/21/1026803021.db2.gz YYRRHFQZXRZANW-UHFFFAOYSA-N 2 2 304.384 3.628 20 0 DHADLP Cc1c(Cl)c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)nc2ccccc12 ZINC000420361314 1026810236 /nfs/dbraw/zinc/81/02/36/1026810236.db2.gz MCFVQAGESCAFHC-MRXNPFEDSA-N 2 2 317.864 3.674 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccncc1Cl ZINC000421828776 1027061423 /nfs/dbraw/zinc/06/14/23/1027061423.db2.gz FFDVTGSBKAMRSD-ZDUSSCGKSA-N 2 2 307.869 3.793 20 0 DHADLP CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000272033018 1027206095 /nfs/dbraw/zinc/20/60/95/1027206095.db2.gz URHTZFMOXDPYBI-HKUYNNGSSA-N 2 2 313.445 3.556 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccn1 ZINC000573060450 1027258074 /nfs/dbraw/zinc/25/80/74/1027258074.db2.gz QULVKBGQKWSABH-HUUCEWRRSA-N 2 2 322.412 3.688 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000362527945 1027265420 /nfs/dbraw/zinc/26/54/20/1027265420.db2.gz HOCSJNYGHSMHOC-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000362527945 1027265434 /nfs/dbraw/zinc/26/54/34/1027265434.db2.gz HOCSJNYGHSMHOC-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1OC1CCCC1)c1c[nH+]ccc1N ZINC000422697938 1027297175 /nfs/dbraw/zinc/29/71/75/1027297175.db2.gz WXXWIHCWMGIIQD-CQSZACIVSA-N 2 2 311.429 3.666 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422759165 1027305667 /nfs/dbraw/zinc/30/56/67/1027305667.db2.gz FONOTAJVUUKOQS-PMACEKPBSA-N 2 2 309.457 3.759 20 0 DHADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422744728 1027310516 /nfs/dbraw/zinc/31/05/16/1027310516.db2.gz UCCUUKGNPLIRAV-UONOGXRCSA-N 2 2 309.523 3.841 20 0 DHADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000422744729 1027311926 /nfs/dbraw/zinc/31/19/26/1027311926.db2.gz UCCUUKGNPLIRAV-ZIAGYGMSSA-N 2 2 309.523 3.841 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC2CC2)c2ccccc21 ZINC000422755836 1027314194 /nfs/dbraw/zinc/31/41/94/1027314194.db2.gz BRLOXOQTEBJYMJ-MOPGFXCFSA-N 2 2 308.425 3.710 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)on1 ZINC000422794187 1027333905 /nfs/dbraw/zinc/33/39/05/1027333905.db2.gz YKGTYLWHJUIGFB-KZNAEPCWSA-N 2 2 319.493 3.979 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1c[nH+]ccc1N ZINC000422869015 1027351028 /nfs/dbraw/zinc/35/10/28/1027351028.db2.gz WPSLBAUKGIWSCY-SECBINFHSA-N 2 2 313.298 3.503 20 0 DHADLP C[C@@H]([NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000422942062 1027370323 /nfs/dbraw/zinc/37/03/23/1027370323.db2.gz JZRAIUBUDKQVOY-BDJLRTHQSA-N 2 2 306.862 3.688 20 0 DHADLP Clc1ccc(C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000422945791 1027375310 /nfs/dbraw/zinc/37/53/10/1027375310.db2.gz NWSWAMPYYNADRJ-MSOLQXFVSA-N 2 2 300.833 3.575 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422948868 1027375825 /nfs/dbraw/zinc/37/58/25/1027375825.db2.gz RZYFPTMIQPKHLT-INMHGKMJSA-N 2 2 320.477 3.665 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCOc3cc(F)ccc32)c2ccccc21 ZINC000423042943 1027399298 /nfs/dbraw/zinc/39/92/98/1027399298.db2.gz MRLHKOZGKATADQ-SQNIBIBYSA-N 2 2 312.388 3.774 20 0 DHADLP COc1ccc([C@@H]([NH2+]CCCCCSC)[C@H]2CCC[NH2+]2)cc1 ZINC000423056939 1027404977 /nfs/dbraw/zinc/40/49/77/1027404977.db2.gz YJOGEWSGYVPQQY-QZTJIDSGSA-N 2 2 322.518 3.611 20 0 DHADLP Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000423137288 1027433842 /nfs/dbraw/zinc/43/38/42/1027433842.db2.gz QOOMBKGNFBLBPG-CSMYWGQOSA-N 2 2 312.379 3.504 20 0 DHADLP COc1ccc([C@H]([NH2+]CCC2CC(F)(F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423163304 1027437766 /nfs/dbraw/zinc/43/77/66/1027437766.db2.gz MNXGOQMVORLGBA-IRXDYDNUSA-N 2 2 324.415 3.513 20 0 DHADLP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1SC ZINC000423233981 1027456707 /nfs/dbraw/zinc/45/67/07/1027456707.db2.gz FFFPHTFYXZSIKC-BBRMVZONSA-N 2 2 316.470 3.768 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(OCc2ccccc2)c1 ZINC000423240396 1027459381 /nfs/dbraw/zinc/45/93/81/1027459381.db2.gz TUUTVLKVFDEUFG-QFBILLFUSA-N 2 2 310.441 3.668 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C[N@@H+]1C1CC1 ZINC000562505368 1027468174 /nfs/dbraw/zinc/46/81/74/1027468174.db2.gz GUIAFBIYNAYAOT-QWHCGFSZSA-N 2 2 310.844 3.627 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C[N@H+]1C1CC1 ZINC000562505368 1027468187 /nfs/dbraw/zinc/46/81/87/1027468187.db2.gz GUIAFBIYNAYAOT-QWHCGFSZSA-N 2 2 310.844 3.627 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCCO2 ZINC000423233591 1027469501 /nfs/dbraw/zinc/46/95/01/1027469501.db2.gz DUPXJTGQLWLSDB-MOPGFXCFSA-N 2 2 310.441 3.807 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(OC(F)F)c1 ZINC000423243762 1027472243 /nfs/dbraw/zinc/47/22/43/1027472243.db2.gz NBUVDJIIOZGMGD-MLGOLLRUSA-N 2 2 306.356 3.639 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(SCC(F)(F)F)cc1 ZINC000423246618 1027473173 /nfs/dbraw/zinc/47/31/73/1027473173.db2.gz ZNLYNIYCONBNHT-AAEUAGOBSA-N 2 2 318.408 3.744 20 0 DHADLP COc1ccc2oc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)c2c1 ZINC000423272953 1027493527 /nfs/dbraw/zinc/49/35/27/1027493527.db2.gz ZRVNWYOKJBIKRH-KGLIPLIRSA-N 2 2 304.434 3.774 20 0 DHADLP [NH3+][C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)C1CC1 ZINC000423313827 1027496058 /nfs/dbraw/zinc/49/60/58/1027496058.db2.gz GCLUNJGUBYHRHF-MSOLQXFVSA-N 2 2 300.833 3.756 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)s1 ZINC000423304010 1027506594 /nfs/dbraw/zinc/50/65/94/1027506594.db2.gz XZJCWPKWSHTSQZ-ZJUUUORDSA-N 2 2 305.285 3.679 20 0 DHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1csc(-c2ccccc2)n1 ZINC000423328989 1027509681 /nfs/dbraw/zinc/50/96/81/1027509681.db2.gz DSNPROOHPOAAAM-RDTXWAMCSA-N 2 2 315.486 3.850 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000423371602 1027523495 /nfs/dbraw/zinc/52/34/95/1027523495.db2.gz HQQRRNRHAYVHDQ-KXUCPTDWSA-N 2 2 305.224 3.924 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000423375763 1027533780 /nfs/dbraw/zinc/53/37/80/1027533780.db2.gz DGWFVMIPDAMGJS-UZLBHIALSA-N 2 2 312.457 3.567 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH2+]1 ZINC000423393597 1027534020 /nfs/dbraw/zinc/53/40/20/1027534020.db2.gz YXAJGBVZZGTDTR-SCLBCKFNSA-N 2 2 316.395 3.784 20 0 DHADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)CCC[NH2+]1 ZINC000423429542 1027546089 /nfs/dbraw/zinc/54/60/89/1027546089.db2.gz OZGXKONXKZIRIR-CRAIPNDOSA-N 2 2 322.518 3.606 20 0 DHADLP Cc1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)n1 ZINC000562657455 1027555501 /nfs/dbraw/zinc/55/55/01/1027555501.db2.gz LMAUDIFYCXBDEB-SFHVURJKSA-N 2 2 323.484 3.575 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000423506285 1027568571 /nfs/dbraw/zinc/56/85/71/1027568571.db2.gz PBPHUXDYEYYZJY-FZKQIMNGSA-N 2 2 316.420 3.747 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000423509496 1027568919 /nfs/dbraw/zinc/56/89/19/1027568919.db2.gz RMLHPMVXXABVTD-HOTGVXAUSA-N 2 2 315.486 3.681 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000423542329 1027584488 /nfs/dbraw/zinc/58/44/88/1027584488.db2.gz ATBNVBRLTGBODV-GXTWGEPZSA-N 2 2 314.445 3.837 20 0 DHADLP c1ccc(N2CCC(Nc3ccc4c[nH+]ccc4c3)CC2)[nH+]c1 ZINC000296457113 1027644118 /nfs/dbraw/zinc/64/41/18/1027644118.db2.gz GKBZSZWANOZPJV-UHFFFAOYSA-N 2 2 304.397 3.711 20 0 DHADLP C[C@H]([NH2+][C@H]1CCCc2c(F)cc(F)cc21)c1c[nH+]ccc1N ZINC000562956715 1027824006 /nfs/dbraw/zinc/82/40/06/1027824006.db2.gz WUEMMNISSGBKHP-BTDLBPIBSA-N 2 2 303.356 3.501 20 0 DHADLP c1cc2c(o1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000365220640 1027903446 /nfs/dbraw/zinc/90/34/46/1027903446.db2.gz IANAQTYYRYWRAV-QGZVFWFLSA-N 2 2 316.470 3.973 20 0 DHADLP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000527846334 1027908390 /nfs/dbraw/zinc/90/83/90/1027908390.db2.gz FSPUAKSAUXWZOA-BRWVUGGUSA-N 2 2 308.828 3.683 20 0 DHADLP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000527846334 1027908410 /nfs/dbraw/zinc/90/84/10/1027908410.db2.gz FSPUAKSAUXWZOA-BRWVUGGUSA-N 2 2 308.828 3.683 20 0 DHADLP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000527846400 1027909010 /nfs/dbraw/zinc/90/90/10/1027909010.db2.gz FSPUAKSAUXWZOA-ZACQAIPSSA-N 2 2 308.828 3.683 20 0 DHADLP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000527846400 1027909024 /nfs/dbraw/zinc/90/90/24/1027909024.db2.gz FSPUAKSAUXWZOA-ZACQAIPSSA-N 2 2 308.828 3.683 20 0 DHADLP Fc1ccccc1C1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528000598 1028024481 /nfs/dbraw/zinc/02/44/81/1028024481.db2.gz JPLQMDQAGINMPQ-VMBOVVBDSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccccc1C1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528000598 1028024494 /nfs/dbraw/zinc/02/44/94/1028024494.db2.gz JPLQMDQAGINMPQ-VMBOVVBDSA-N 2 2 302.437 3.678 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000578099956 1028048483 /nfs/dbraw/zinc/04/84/83/1028048483.db2.gz QXLQYUOQBXLOFM-WIYYLYMNSA-N 2 2 324.468 3.980 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccco2)C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000578099956 1028048511 /nfs/dbraw/zinc/04/85/11/1028048511.db2.gz QXLQYUOQBXLOFM-WIYYLYMNSA-N 2 2 324.468 3.980 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000366183829 1028057254 /nfs/dbraw/zinc/05/72/54/1028057254.db2.gz NTNOQNPUVQSZNK-OAHLLOKOSA-N 2 2 319.399 3.812 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000366183829 1028057271 /nfs/dbraw/zinc/05/72/71/1028057271.db2.gz NTNOQNPUVQSZNK-OAHLLOKOSA-N 2 2 319.399 3.812 20 0 DHADLP COc1c(C)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1C ZINC001138429600 1028060691 /nfs/dbraw/zinc/06/06/91/1028060691.db2.gz HXWXCQZITMZFJA-UHFFFAOYSA-N 2 2 304.478 3.617 20 0 DHADLP COc1c(C)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1C ZINC001138429600 1028060715 /nfs/dbraw/zinc/06/07/15/1028060715.db2.gz HXWXCQZITMZFJA-UHFFFAOYSA-N 2 2 304.478 3.617 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1F ZINC000366213791 1028063505 /nfs/dbraw/zinc/06/35/05/1028063505.db2.gz YZYYWFOXTBDRPG-DZGCQCFKSA-N 2 2 317.408 3.567 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000779059089 1028101200 /nfs/dbraw/zinc/10/12/00/1028101200.db2.gz CLOWYHMAYRPEDQ-BZNIZROVSA-N 2 2 313.272 3.608 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000779059089 1028101205 /nfs/dbraw/zinc/10/12/05/1028101205.db2.gz CLOWYHMAYRPEDQ-BZNIZROVSA-N 2 2 313.272 3.608 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CCCC2CCOCC2)C1 ZINC000366735276 1028105378 /nfs/dbraw/zinc/10/53/78/1028105378.db2.gz MJWSYOUKQYOOKI-GOSISDBHSA-N 2 2 319.493 3.850 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCC2CCOCC2)C1 ZINC000366735276 1028105385 /nfs/dbraw/zinc/10/53/85/1028105385.db2.gz MJWSYOUKQYOOKI-GOSISDBHSA-N 2 2 319.493 3.850 20 0 DHADLP Cc1ccc(C)c(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)[nH+]1 ZINC001170753452 1028122860 /nfs/dbraw/zinc/12/28/60/1028122860.db2.gz HSTLVMJQMTYJSO-IBGZPJMESA-N 2 2 309.457 3.817 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(C2CCCCC2)s1 ZINC000578401722 1028141207 /nfs/dbraw/zinc/14/12/07/1028141207.db2.gz XLFOBYZGXGXPOY-UHFFFAOYSA-N 2 2 318.490 3.909 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(C2CCCCC2)s1 ZINC000578401722 1028141216 /nfs/dbraw/zinc/14/12/16/1028141216.db2.gz XLFOBYZGXGXPOY-UHFFFAOYSA-N 2 2 318.490 3.909 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2COc3c2cccc3Cl)CC1 ZINC000367400616 1028179398 /nfs/dbraw/zinc/17/93/98/1028179398.db2.gz DDWQJQCXDQPJBT-HNNXBMFYSA-N 2 2 308.853 3.626 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](Cc1ccccc1C)C1CC1)CCC2 ZINC000367436256 1028184116 /nfs/dbraw/zinc/18/41/16/1028184116.db2.gz FAYBJQFYDIGJQP-UXHICEINSA-N 2 2 323.484 3.988 20 0 DHADLP FCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000367626460 1028218687 /nfs/dbraw/zinc/21/86/87/1028218687.db2.gz OFJSUFMQGIPMLO-PBHICJAKSA-N 2 2 310.482 3.830 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cc3ccccc3cc2OC)CC1 ZINC000449007221 1028256972 /nfs/dbraw/zinc/25/69/72/1028256972.db2.gz CCKDYDMRRKIYKD-UHFFFAOYSA-N 2 2 312.457 3.765 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3cc2OC)CC1 ZINC000449007221 1028256980 /nfs/dbraw/zinc/25/69/80/1028256980.db2.gz CCKDYDMRRKIYKD-UHFFFAOYSA-N 2 2 312.457 3.765 20 0 DHADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098946 1028297200 /nfs/dbraw/zinc/29/72/00/1028297200.db2.gz DGJMLVLXMXKJNS-ZYHUDNBSSA-N 2 2 304.463 3.506 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000368100881 1028298588 /nfs/dbraw/zinc/29/85/88/1028298588.db2.gz IRYCXCSYNPELPL-MWLCHTKSSA-N 2 2 310.228 3.925 20 0 DHADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098943 1028300506 /nfs/dbraw/zinc/30/05/06/1028300506.db2.gz DGJMLVLXMXKJNS-CMPLNLGQSA-N 2 2 304.463 3.506 20 0 DHADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103648 1028302183 /nfs/dbraw/zinc/30/21/83/1028302183.db2.gz XSGFFMNDCWGVPI-QWHCGFSZSA-N 2 2 309.413 3.926 20 0 DHADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103646 1028303878 /nfs/dbraw/zinc/30/38/78/1028303878.db2.gz XSGFFMNDCWGVPI-CHWSQXEVSA-N 2 2 309.413 3.926 20 0 DHADLP Cc1cccc(CC[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000449073313 1028338078 /nfs/dbraw/zinc/33/80/78/1028338078.db2.gz HZQOCQIQUKBVCF-UHFFFAOYSA-N 2 2 305.425 3.572 20 0 DHADLP COc1cc(C)ccc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000449075052 1028338354 /nfs/dbraw/zinc/33/83/54/1028338354.db2.gz MEVKVBFFSBQSLI-UHFFFAOYSA-N 2 2 321.424 3.538 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]4CCC[C@@H]43)sc2C1 ZINC000368617824 1028384421 /nfs/dbraw/zinc/38/44/21/1028384421.db2.gz SOAYTQJUDIPXPN-HOCLYGCPSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]4CCC[C@@H]43)sc2C1 ZINC000368617824 1028384438 /nfs/dbraw/zinc/38/44/38/1028384438.db2.gz SOAYTQJUDIPXPN-HOCLYGCPSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)sc2C1 ZINC000368617824 1028384474 /nfs/dbraw/zinc/38/44/74/1028384474.db2.gz SOAYTQJUDIPXPN-HOCLYGCPSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000368706008 1028397528 /nfs/dbraw/zinc/39/75/28/1028397528.db2.gz HCIRKNRWBOBYSR-MRXNPFEDSA-N 2 2 317.408 3.516 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000368706008 1028397545 /nfs/dbraw/zinc/39/75/45/1028397545.db2.gz HCIRKNRWBOBYSR-MRXNPFEDSA-N 2 2 317.408 3.516 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000369082274 1028443516 /nfs/dbraw/zinc/44/35/16/1028443516.db2.gz FFOSBTZFKHFOTJ-CYBMUJFWSA-N 2 2 318.490 3.554 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000369082274 1028443525 /nfs/dbraw/zinc/44/35/25/1028443525.db2.gz FFOSBTZFKHFOTJ-CYBMUJFWSA-N 2 2 318.490 3.554 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449216062 1028460465 /nfs/dbraw/zinc/46/04/65/1028460465.db2.gz ZURVWASVKDOTKM-VQIMIIECSA-N 2 2 313.489 3.919 20 0 DHADLP Cc1cccc(CC[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000449266175 1028494693 /nfs/dbraw/zinc/49/46/93/1028494693.db2.gz VEFBPCRRSAUXCG-SFTDATJTSA-N 2 2 323.484 3.557 20 0 DHADLP Cc1cccc(CC[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000449266175 1028494698 /nfs/dbraw/zinc/49/46/98/1028494698.db2.gz VEFBPCRRSAUXCG-SFTDATJTSA-N 2 2 323.484 3.557 20 0 DHADLP Cc1cccc(CC[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000449266175 1028494701 /nfs/dbraw/zinc/49/47/01/1028494701.db2.gz VEFBPCRRSAUXCG-SFTDATJTSA-N 2 2 323.484 3.557 20 0 DHADLP Cc1cccc(CC[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000449266175 1028494707 /nfs/dbraw/zinc/49/47/07/1028494707.db2.gz VEFBPCRRSAUXCG-SFTDATJTSA-N 2 2 323.484 3.557 20 0 DHADLP c1cc2cccc(C[N@@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)c2o1 ZINC000449263276 1028513764 /nfs/dbraw/zinc/51/37/64/1028513764.db2.gz KQQAAKOCICXHRB-KRWDZBQOSA-N 2 2 321.424 3.955 20 0 DHADLP c1cc2cccc(C[N@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)c2o1 ZINC000449263276 1028513775 /nfs/dbraw/zinc/51/37/75/1028513775.db2.gz KQQAAKOCICXHRB-KRWDZBQOSA-N 2 2 321.424 3.955 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H](C)c1ccccc1 ZINC000370175438 1028573771 /nfs/dbraw/zinc/57/37/71/1028573771.db2.gz UDNJPIRVLIBEIN-JYWFKMLOSA-N 2 2 323.484 3.856 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H](C)c1ccccc1 ZINC000370175438 1028573787 /nfs/dbraw/zinc/57/37/87/1028573787.db2.gz UDNJPIRVLIBEIN-JYWFKMLOSA-N 2 2 323.484 3.856 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)o1 ZINC000370631037 1028627145 /nfs/dbraw/zinc/62/71/45/1028627145.db2.gz ZUHJURNZUYVKOU-AEFFLSMTSA-N 2 2 313.445 3.546 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)o1 ZINC000370631037 1028627150 /nfs/dbraw/zinc/62/71/50/1028627150.db2.gz ZUHJURNZUYVKOU-AEFFLSMTSA-N 2 2 313.445 3.546 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)CCC2 ZINC000370681143 1028637611 /nfs/dbraw/zinc/63/76/11/1028637611.db2.gz DJUPFTCOLVYKEF-RYUDHWBXSA-N 2 2 323.362 3.837 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(OC)cc1 ZINC000370681625 1028638132 /nfs/dbraw/zinc/63/81/32/1028638132.db2.gz IOWGFJCLKPMSTA-FUHWJXTLSA-N 2 2 313.445 3.818 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cs1 ZINC000370910052 1028651674 /nfs/dbraw/zinc/65/16/74/1028651674.db2.gz YUFNIFHVLRUZAC-NORZTCDRSA-N 2 2 321.515 3.857 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cs1 ZINC000370910052 1028651681 /nfs/dbraw/zinc/65/16/81/1028651681.db2.gz YUFNIFHVLRUZAC-NORZTCDRSA-N 2 2 321.515 3.857 20 0 DHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1cccc(Cl)c1 ZINC000371133079 1028670178 /nfs/dbraw/zinc/67/01/78/1028670178.db2.gz IQKQMBNVXFSGKB-FUHWJXTLSA-N 2 2 317.864 3.841 20 0 DHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc[nH]c2)[C@H]1c1cccc(Cl)c1 ZINC000371133079 1028670186 /nfs/dbraw/zinc/67/01/86/1028670186.db2.gz IQKQMBNVXFSGKB-FUHWJXTLSA-N 2 2 317.864 3.841 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)Cc1ccc(Cl)cc1)CCC2 ZINC000371426600 1028711054 /nfs/dbraw/zinc/71/10/54/1028711054.db2.gz QNFJPESGCTUPQF-CJNGLKHVSA-N 2 2 317.864 3.943 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCCn1cc[nH+]c1 ZINC000566672517 1028763708 /nfs/dbraw/zinc/76/37/08/1028763708.db2.gz ZTSCPBFAHMGYMF-ZDUSSCGKSA-N 2 2 309.816 3.677 20 0 DHADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000372175407 1028817031 /nfs/dbraw/zinc/81/70/31/1028817031.db2.gz IWUSMEDSDMUXFZ-AUUYWEPGSA-N 2 2 302.437 3.762 20 0 DHADLP C[C@@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000372175407 1028817048 /nfs/dbraw/zinc/81/70/48/1028817048.db2.gz IWUSMEDSDMUXFZ-AUUYWEPGSA-N 2 2 302.437 3.762 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1 ZINC000567750491 1028948458 /nfs/dbraw/zinc/94/84/58/1028948458.db2.gz ZKGXQUKSAFQKBT-XLIONFOSSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1 ZINC000567750491 1028948467 /nfs/dbraw/zinc/94/84/67/1028948467.db2.gz ZKGXQUKSAFQKBT-XLIONFOSSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567796433 1028956205 /nfs/dbraw/zinc/95/62/05/1028956205.db2.gz BLLNUIAFLMZYBW-LJQANCHMSA-N 2 2 318.424 3.565 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567796433 1028956224 /nfs/dbraw/zinc/95/62/24/1028956224.db2.gz BLLNUIAFLMZYBW-LJQANCHMSA-N 2 2 318.424 3.565 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281081 1028985836 /nfs/dbraw/zinc/98/58/36/1028985836.db2.gz ZPJZPQHBZQIPNT-OLZOCXBDSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281081 1028985856 /nfs/dbraw/zinc/98/58/56/1028985856.db2.gz ZPJZPQHBZQIPNT-OLZOCXBDSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281081 1028985864 /nfs/dbraw/zinc/98/58/64/1028985864.db2.gz ZPJZPQHBZQIPNT-OLZOCXBDSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2csc(C(F)(F)F)c2)C1 ZINC000628281081 1028985877 /nfs/dbraw/zinc/98/58/77/1028985877.db2.gz ZPJZPQHBZQIPNT-OLZOCXBDSA-N 2 2 318.408 3.683 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC(n3c[nH+]c4c3CCCC4)CC2)C1 ZINC000628371472 1029018870 /nfs/dbraw/zinc/01/88/70/1029018870.db2.gz IPZCSDUXUIWXMP-NVXWUHKLSA-N 2 2 301.478 3.978 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1F ZINC000373519357 1029071442 /nfs/dbraw/zinc/07/14/42/1029071442.db2.gz IYCHAKVHAKWPRP-IUDNXUCKSA-N 2 2 306.425 3.502 20 0 DHADLP Cc1cccc2c(NCc3ccn4cc[nH+]c4c3)c(C)c[nH+]c12 ZINC000569178282 1029188952 /nfs/dbraw/zinc/18/89/52/1029188952.db2.gz MCMANVAITQHWPL-UHFFFAOYSA-N 2 2 302.381 3.533 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000629540901 1029359979 /nfs/dbraw/zinc/35/99/79/1029359979.db2.gz YHJHEYSLIPQBIG-ZOBUZTSGSA-N 2 2 320.477 3.665 20 0 DHADLP Clc1cccc2c1C[C@@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001170895728 1029362236 /nfs/dbraw/zinc/36/22/36/1029362236.db2.gz UIKQHLBOJYQLNU-INIZCTEOSA-N 2 2 306.881 3.663 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561284 1029366559 /nfs/dbraw/zinc/36/65/59/1029366559.db2.gz ICZZESWEIQKBAY-WZRBSPASSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561284 1029366569 /nfs/dbraw/zinc/36/65/69/1029366569.db2.gz ICZZESWEIQKBAY-WZRBSPASSA-N 2 2 320.786 3.860 20 0 DHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000629564709 1029371159 /nfs/dbraw/zinc/37/11/59/1029371159.db2.gz UCPOZVVXIBNHBP-OLZOCXBDSA-N 2 2 322.321 3.583 20 0 DHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000629564709 1029371180 /nfs/dbraw/zinc/37/11/80/1029371180.db2.gz UCPOZVVXIBNHBP-OLZOCXBDSA-N 2 2 322.321 3.583 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000570515789 1029379291 /nfs/dbraw/zinc/37/92/91/1029379291.db2.gz STFMRZIRBADXBY-QZTJIDSGSA-N 2 2 324.468 3.668 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000570515789 1029379296 /nfs/dbraw/zinc/37/92/96/1029379296.db2.gz STFMRZIRBADXBY-QZTJIDSGSA-N 2 2 324.468 3.668 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3C(F)(F)F)CC[C@@H]21 ZINC000529537997 1029401550 /nfs/dbraw/zinc/40/15/50/1029401550.db2.gz XCPSPZWQXVXVJX-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccsc3C(F)(F)F)CC[C@@H]21 ZINC000529537997 1029401558 /nfs/dbraw/zinc/40/15/58/1029401558.db2.gz XCPSPZWQXVXVJX-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccsc3C(F)(F)F)CC[C@@H]21 ZINC000529537997 1029401563 /nfs/dbraw/zinc/40/15/63/1029401563.db2.gz XCPSPZWQXVXVJX-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccsc3C(F)(F)F)CC[C@@H]21 ZINC000529537997 1029401566 /nfs/dbraw/zinc/40/15/66/1029401566.db2.gz XCPSPZWQXVXVJX-YPMHNXCESA-N 2 2 318.408 3.683 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450379696 1029419146 /nfs/dbraw/zinc/41/91/46/1029419146.db2.gz OQXSKOCHJKYVSH-CABCVRRESA-N 2 2 311.420 3.908 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450379696 1029419157 /nfs/dbraw/zinc/41/91/57/1029419157.db2.gz OQXSKOCHJKYVSH-CABCVRRESA-N 2 2 311.420 3.908 20 0 DHADLP Clc1cccc2c1C[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001170918225 1029454422 /nfs/dbraw/zinc/45/44/22/1029454422.db2.gz URRKWVWXWOYCGY-OAHLLOKOSA-N 2 2 311.816 3.635 20 0 DHADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529639515 1029474186 /nfs/dbraw/zinc/47/41/86/1029474186.db2.gz GNAPXJPKCWVBMY-APWZRJJASA-N 2 2 316.489 3.710 20 0 DHADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529639515 1029474197 /nfs/dbraw/zinc/47/41/97/1029474197.db2.gz GNAPXJPKCWVBMY-APWZRJJASA-N 2 2 316.489 3.710 20 0 DHADLP Fc1cccc2c1C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001170950755 1029747350 /nfs/dbraw/zinc/74/73/50/1029747350.db2.gz SODAVUCWGYSSAR-QGZVFWFLSA-N 2 2 321.399 3.659 20 0 DHADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000530477266 1029859750 /nfs/dbraw/zinc/85/97/50/1029859750.db2.gz WRYNWBAGKSECAX-KLAILNCOSA-N 2 2 302.462 3.671 20 0 DHADLP CC[C@@](C)([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(F)cc1 ZINC000865660503 1029965626 /nfs/dbraw/zinc/96/56/26/1029965626.db2.gz OLIIJVMRWARZTE-QGZVFWFLSA-N 2 2 321.465 3.759 20 0 DHADLP Fc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000865817107 1030039681 /nfs/dbraw/zinc/03/96/81/1030039681.db2.gz AMRGVZUJMZFCQO-QWHCGFSZSA-N 2 2 317.235 3.849 20 0 DHADLP Fc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865817107 1030039663 /nfs/dbraw/zinc/03/96/63/1030039663.db2.gz AMRGVZUJMZFCQO-QWHCGFSZSA-N 2 2 317.235 3.849 20 0 DHADLP C[C@H]1CC[C@H]([NH2+]C2(c3ccc(Br)cc3)CCC2)C[NH2+]1 ZINC001246203736 1030112165 /nfs/dbraw/zinc/11/21/65/1030112165.db2.gz YGOCKVGTWDGHPH-WFASDCNBSA-N 2 2 323.278 3.558 20 0 DHADLP CC(C)c1ccc([C@H]([NH2+]CCC[NH+](C)C)c2cccnc2)cc1 ZINC000924538115 1030117416 /nfs/dbraw/zinc/11/74/16/1030117416.db2.gz FNGGEOQTZDIROE-FQEVSTJZSA-N 2 2 311.473 3.836 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccccc1 ZINC000924530807 1030117514 /nfs/dbraw/zinc/11/75/14/1030117514.db2.gz BPJHQEQCAHOACW-IHJVYAAUSA-N 2 2 316.489 3.617 20 0 DHADLP C[C@H](CCc1cccnc1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000866212179 1030163824 /nfs/dbraw/zinc/16/38/24/1030163824.db2.gz DUNQVZCWWFMRCZ-WIYYLYMNSA-N 2 2 323.484 3.829 20 0 DHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccns2)CC1 ZINC000924696874 1030163970 /nfs/dbraw/zinc/16/39/70/1030163970.db2.gz GVFAVQDICQZDDV-HNNXBMFYSA-N 2 2 315.486 3.767 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)c2ccccn2)c1 ZINC000924712182 1030168341 /nfs/dbraw/zinc/16/83/41/1030168341.db2.gz AHCTVWFVGDLTCN-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)ccc1Cl ZINC000557522791 1030172703 /nfs/dbraw/zinc/17/27/03/1030172703.db2.gz BZZSWYRMEGILNC-NHYWBVRUSA-N 2 2 301.261 3.765 20 0 DHADLP Cc1cccc([C@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)c2ccccn2)c1 ZINC000924712187 1030168739 /nfs/dbraw/zinc/16/87/39/1030168739.db2.gz AHCTVWFVGDLTCN-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)ccc1Cl ZINC000557522791 1030172717 /nfs/dbraw/zinc/17/27/17/1030172717.db2.gz BZZSWYRMEGILNC-NHYWBVRUSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)ccc1Cl ZINC000557522791 1030172728 /nfs/dbraw/zinc/17/27/28/1030172728.db2.gz BZZSWYRMEGILNC-NHYWBVRUSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)ccc1Cl ZINC000557522791 1030172692 /nfs/dbraw/zinc/17/26/92/1030172692.db2.gz BZZSWYRMEGILNC-NHYWBVRUSA-N 2 2 301.261 3.765 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccn1 ZINC000866244166 1030175259 /nfs/dbraw/zinc/17/52/59/1030175259.db2.gz LLEQRKDKSZBTBO-IBGZPJMESA-N 2 2 306.413 3.754 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ncco1 ZINC000924861364 1030209759 /nfs/dbraw/zinc/20/97/59/1030209759.db2.gz NFYJPKHFUIXYPH-INIZCTEOSA-N 2 2 313.445 3.901 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccccc1 ZINC000925057069 1030259981 /nfs/dbraw/zinc/25/99/81/1030259981.db2.gz AWYXLNHCZQNZAH-MQFISKJYSA-N 2 2 316.489 3.663 20 0 DHADLP C[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866404525 1030284059 /nfs/dbraw/zinc/28/40/59/1030284059.db2.gz SJKFAYCPSHOENW-LSDHHAIUSA-N 2 2 301.459 3.666 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000925142580 1030285100 /nfs/dbraw/zinc/28/51/00/1030285100.db2.gz OULSYYGEWCSGHR-QRQLOZEOSA-N 2 2 312.457 3.944 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000925142580 1030285119 /nfs/dbraw/zinc/28/51/19/1030285119.db2.gz OULSYYGEWCSGHR-QRQLOZEOSA-N 2 2 312.457 3.944 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cc(O)cc(F)c1 ZINC000925204782 1030304416 /nfs/dbraw/zinc/30/44/16/1030304416.db2.gz GOYJADZFPOHAJU-CQSZACIVSA-N 2 2 320.452 3.979 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c2cccnc2)cc1 ZINC000925222913 1030312007 /nfs/dbraw/zinc/31/20/07/1030312007.db2.gz UMPREYRZYFNUIA-NJYVYQBISA-N 2 2 323.484 3.942 20 0 DHADLP CC(C)([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Br ZINC001246252217 1030330686 /nfs/dbraw/zinc/33/06/86/1030330686.db2.gz GZVJXOAXCNKXLG-FUNVUKJBSA-N 2 2 323.278 3.557 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866561990 1030370834 /nfs/dbraw/zinc/37/08/34/1030370834.db2.gz NEFXJZGHFOKJJH-MOPGFXCFSA-N 2 2 308.510 3.578 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1CCOCC1 ZINC000866561990 1030370849 /nfs/dbraw/zinc/37/08/49/1030370849.db2.gz NEFXJZGHFOKJJH-MOPGFXCFSA-N 2 2 308.510 3.578 20 0 DHADLP Clc1cccc2c1CC[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001171033221 1030399969 /nfs/dbraw/zinc/39/99/69/1030399969.db2.gz LINAIVNHYQKXIN-KRWDZBQOSA-N 2 2 318.892 3.758 20 0 DHADLP Clc1ccc(OCCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000533526654 1030405740 /nfs/dbraw/zinc/40/57/40/1030405740.db2.gz TYKRWEWQWFJNKO-CQSZACIVSA-N 2 2 319.836 3.712 20 0 DHADLP Clc1ccc(OCCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000533526654 1030405749 /nfs/dbraw/zinc/40/57/49/1030405749.db2.gz TYKRWEWQWFJNKO-CQSZACIVSA-N 2 2 319.836 3.712 20 0 DHADLP [NH3+]CCC[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccccc1 ZINC000925574867 1030409189 /nfs/dbraw/zinc/40/91/89/1030409189.db2.gz CMIJOPYUZTXYTN-IBGZPJMESA-N 2 2 324.472 3.964 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000925591942 1030413710 /nfs/dbraw/zinc/41/37/10/1030413710.db2.gz UNFBZQWMTJSQDI-NOGSDAMLSA-N 2 2 313.489 3.775 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1nc(-c2ccccc2)cs1 ZINC000925591577 1030414868 /nfs/dbraw/zinc/41/48/68/1030414868.db2.gz CAWSUGLIHCATFO-VBNZEHGJSA-N 2 2 313.470 3.731 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708536 1030427672 /nfs/dbraw/zinc/42/76/72/1030427672.db2.gz RCHSFDATQUFPRQ-UGSOOPFHSA-N 2 2 307.482 3.730 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708536 1030427676 /nfs/dbraw/zinc/42/76/76/1030427676.db2.gz RCHSFDATQUFPRQ-UGSOOPFHSA-N 2 2 307.482 3.730 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708534 1030429210 /nfs/dbraw/zinc/42/92/10/1030429210.db2.gz RCHSFDATQUFPRQ-FZKQIMNGSA-N 2 2 307.482 3.730 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708534 1030429215 /nfs/dbraw/zinc/42/92/15/1030429215.db2.gz RCHSFDATQUFPRQ-FZKQIMNGSA-N 2 2 307.482 3.730 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC[N@@H+]1C ZINC000358313257 1030434723 /nfs/dbraw/zinc/43/47/23/1030434723.db2.gz COXBXEMNGHDXIJ-IVMMDQJWSA-N 2 2 306.425 3.500 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC[N@H+]1C ZINC000358313257 1030434733 /nfs/dbraw/zinc/43/47/33/1030434733.db2.gz COXBXEMNGHDXIJ-IVMMDQJWSA-N 2 2 306.425 3.500 20 0 DHADLP FC1(c2cccc(Cl)c2)CC([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925655351 1030444060 /nfs/dbraw/zinc/44/40/60/1030444060.db2.gz JXFDMAYLPMDNNV-PCKAHOCUSA-N 2 2 308.828 3.541 20 0 DHADLP c1ccc(-c2cc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)ccn2)cc1 ZINC000925720240 1030465132 /nfs/dbraw/zinc/46/51/32/1030465132.db2.gz XDDGMCJVRVZGFP-LJQANCHMSA-N 2 2 307.441 3.513 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@@H]2[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749190 1030476273 /nfs/dbraw/zinc/47/62/73/1030476273.db2.gz VEUCBXOAGXOICJ-DOMZBBRYSA-N 2 2 313.470 3.517 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@@H]2[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749190 1030476281 /nfs/dbraw/zinc/47/62/81/1030476281.db2.gz VEUCBXOAGXOICJ-DOMZBBRYSA-N 2 2 313.470 3.517 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1Cl ZINC000925779441 1030495500 /nfs/dbraw/zinc/49/55/00/1030495500.db2.gz NNQQVRNNJNDLGY-NXEZZACHSA-N 2 2 323.214 3.889 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000925791895 1030497208 /nfs/dbraw/zinc/49/72/08/1030497208.db2.gz CWMXQFNAUQVYAO-IRXDYDNUSA-N 2 2 322.880 3.539 20 0 DHADLP CC[C@@H]1CC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000558255161 1030501107 /nfs/dbraw/zinc/50/11/07/1030501107.db2.gz KQISALMAKNQDPE-GALLPEHLSA-N 2 2 304.400 3.570 20 0 DHADLP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000925877691 1030531646 /nfs/dbraw/zinc/53/16/46/1030531646.db2.gz MCSGVHGZUUZSJS-GNBUJSLZSA-N 2 2 308.425 3.721 20 0 DHADLP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+]CC[NH+]1CCCC1)C2 ZINC001171058046 1030570198 /nfs/dbraw/zinc/57/01/98/1030570198.db2.gz IDEFKLGUJSPDFE-AWEZNQCLSA-N 2 2 313.272 3.536 20 0 DHADLP Cc1[nH+]cn([C@H]2CCc3cc(Cl)cc(Cl)c3C2)c1CC[NH3+] ZINC001171062423 1030608907 /nfs/dbraw/zinc/60/89/07/1030608907.db2.gz IAWWPMSPQXLHRR-ZDUSSCGKSA-N 2 2 324.255 3.730 20 0 DHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246541408 1030637207 /nfs/dbraw/zinc/63/72/07/1030637207.db2.gz VYNGMJGPVHGHOC-HUUCEWRRSA-N 2 2 321.534 3.793 20 0 DHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2nc3c(s2)CCCC3)C1 ZINC000246541408 1030637214 /nfs/dbraw/zinc/63/72/14/1030637214.db2.gz VYNGMJGPVHGHOC-HUUCEWRRSA-N 2 2 321.534 3.793 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2ncsc2c1 ZINC000926213708 1030657838 /nfs/dbraw/zinc/65/78/38/1030657838.db2.gz JLYYSOHYWFWBST-LXZKKBNFSA-N 2 2 315.486 3.964 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2ncsc2c1 ZINC000926213708 1030657845 /nfs/dbraw/zinc/65/78/45/1030657845.db2.gz JLYYSOHYWFWBST-LXZKKBNFSA-N 2 2 315.486 3.964 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000926228777 1030666347 /nfs/dbraw/zinc/66/63/47/1030666347.db2.gz IYQFSCZHXBQRCT-MSOLQXFVSA-N 2 2 321.424 3.673 20 0 DHADLP Cc1ccc2c(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)c[nH]c2c1 ZINC001136969705 1030670326 /nfs/dbraw/zinc/67/03/26/1030670326.db2.gz YUOJJHGPYZVBDC-UHFFFAOYSA-N 2 2 321.424 3.915 20 0 DHADLP CC(C)(C)OC1CC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926287148 1030687719 /nfs/dbraw/zinc/68/77/19/1030687719.db2.gz SUYJPEJXWCCEDL-HIEASXQVSA-N 2 2 308.510 3.577 20 0 DHADLP CC(C)(C)OC1CC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926287148 1030687727 /nfs/dbraw/zinc/68/77/27/1030687727.db2.gz SUYJPEJXWCCEDL-HIEASXQVSA-N 2 2 308.510 3.577 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1csc(C(F)(F)F)c1 ZINC000926451436 1030744759 /nfs/dbraw/zinc/74/47/59/1030744759.db2.gz ZZSYMTPOMVOWAB-WPRPVWTQSA-N 2 2 315.364 3.698 20 0 DHADLP CCc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c2cccnc2)cc1 ZINC000926468624 1030753010 /nfs/dbraw/zinc/75/30/10/1030753010.db2.gz BYTDAKZPVZFZNS-UZLBHIALSA-N 2 2 311.473 3.521 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccnc2)cc1 ZINC000926540344 1030789550 /nfs/dbraw/zinc/78/95/50/1030789550.db2.gz IGVKRYADYWLTJV-OTYNDTSQSA-N 2 2 321.468 3.694 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccnc2)cc1 ZINC000926540344 1030789567 /nfs/dbraw/zinc/78/95/67/1030789567.db2.gz IGVKRYADYWLTJV-OTYNDTSQSA-N 2 2 321.468 3.694 20 0 DHADLP [NH3+]C1(C[NH2+]Cc2c(Cl)ccc3cccnc32)CCCCC1 ZINC000666802226 1030996481 /nfs/dbraw/zinc/99/64/81/1030996481.db2.gz IPBCKIXNOFNCOM-UHFFFAOYSA-N 2 2 303.837 3.639 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cs2)cc1 ZINC000261818183 1031067165 /nfs/dbraw/zinc/06/71/65/1031067165.db2.gz PDVVFTIGIVQSLD-SFHVURJKSA-N 2 2 315.486 3.543 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cs2)cc1 ZINC000261818183 1031067180 /nfs/dbraw/zinc/06/71/80/1031067180.db2.gz PDVVFTIGIVQSLD-SFHVURJKSA-N 2 2 315.486 3.543 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cn1 ZINC000359663891 1031086682 /nfs/dbraw/zinc/08/66/82/1031086682.db2.gz WWKAHTHIORTOIK-ZDUSSCGKSA-N 2 2 312.804 3.772 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC=CCC1 ZINC000927122349 1031106395 /nfs/dbraw/zinc/10/63/95/1031106395.db2.gz GNMOEMGYRIYJBB-PXNSSMCTSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC=CCC1 ZINC000927122349 1031106405 /nfs/dbraw/zinc/10/64/05/1031106405.db2.gz GNMOEMGYRIYJBB-PXNSSMCTSA-N 2 2 313.489 3.628 20 0 DHADLP COc1ccc(F)c(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000559232441 1031173117 /nfs/dbraw/zinc/17/31/17/1031173117.db2.gz MAYDFICNSQJVKC-UHFFFAOYSA-N 2 2 308.441 3.579 20 0 DHADLP COc1ccc(F)c(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000559232441 1031173118 /nfs/dbraw/zinc/17/31/18/1031173118.db2.gz MAYDFICNSQJVKC-UHFFFAOYSA-N 2 2 308.441 3.579 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000359958396 1031216596 /nfs/dbraw/zinc/21/65/96/1031216596.db2.gz MKTYHQYOZGVWQN-LBPRGKRZSA-N 2 2 317.339 3.600 20 0 DHADLP Cc1[nH+]cn([C@H]2CCc3cc(Cl)c(Cl)cc3C2)c1CC[NH3+] ZINC001171139040 1031241393 /nfs/dbraw/zinc/24/13/93/1031241393.db2.gz IGASGXTYRVFANL-ZDUSSCGKSA-N 2 2 324.255 3.730 20 0 DHADLP Cc1nc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)sc1C ZINC001144378434 1031502856 /nfs/dbraw/zinc/50/28/56/1031502856.db2.gz MKTQDQSQXQDGKA-HOTGVXAUSA-N 2 2 307.507 3.599 20 0 DHADLP Cc1nc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)sc1C ZINC001144378434 1031502865 /nfs/dbraw/zinc/50/28/65/1031502865.db2.gz MKTQDQSQXQDGKA-HOTGVXAUSA-N 2 2 307.507 3.599 20 0 DHADLP Cc1nc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)sc1C ZINC001144378434 1031502877 /nfs/dbraw/zinc/50/28/77/1031502877.db2.gz MKTQDQSQXQDGKA-HOTGVXAUSA-N 2 2 307.507 3.599 20 0 DHADLP Cc1nc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)sc1C ZINC001144378434 1031502889 /nfs/dbraw/zinc/50/28/89/1031502889.db2.gz MKTQDQSQXQDGKA-HOTGVXAUSA-N 2 2 307.507 3.599 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)cc2)c[nH+]1 ZINC000360700196 1031525166 /nfs/dbraw/zinc/52/51/66/1031525166.db2.gz BABZAUGTDLNNTG-UHFFFAOYSA-N 2 2 315.420 3.920 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3Cc4ccccc4C4(CC4)C3)cc2)c[nH+]1 ZINC000360700196 1031525172 /nfs/dbraw/zinc/52/51/72/1031525172.db2.gz BABZAUGTDLNNTG-UHFFFAOYSA-N 2 2 315.420 3.920 20 0 DHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000360874746 1031597581 /nfs/dbraw/zinc/59/75/81/1031597581.db2.gz VBGVGTHERNEBKD-GOSISDBHSA-N 2 2 322.456 3.954 20 0 DHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000360874746 1031597591 /nfs/dbraw/zinc/59/75/91/1031597591.db2.gz VBGVGTHERNEBKD-GOSISDBHSA-N 2 2 322.456 3.954 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929777503 1031606132 /nfs/dbraw/zinc/60/61/32/1031606132.db2.gz DJXKNGDVTHDVEP-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929777503 1031606141 /nfs/dbraw/zinc/60/61/41/1031606141.db2.gz DJXKNGDVTHDVEP-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929777503 1031606153 /nfs/dbraw/zinc/60/61/53/1031606153.db2.gz DJXKNGDVTHDVEP-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929777503 1031606157 /nfs/dbraw/zinc/60/61/57/1031606157.db2.gz DJXKNGDVTHDVEP-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000930056209 1031687987 /nfs/dbraw/zinc/68/79/87/1031687987.db2.gz WLVGQFBXJFINOH-CRAIPNDOSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000930056209 1031687992 /nfs/dbraw/zinc/68/79/92/1031687992.db2.gz WLVGQFBXJFINOH-CRAIPNDOSA-N 2 2 322.412 3.621 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc3ccsc32)s1 ZINC000845997896 1031818281 /nfs/dbraw/zinc/81/82/81/1031818281.db2.gz SLBOFHMNQCNOHP-UHFFFAOYSA-N 2 2 317.483 3.709 20 0 DHADLP C[C@]1(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@]1(F)Cl ZINC000846034558 1031827451 /nfs/dbraw/zinc/82/74/51/1031827451.db2.gz RUALDWRYPMUAJG-KBPBESRZSA-N 2 2 313.829 3.728 20 0 DHADLP FC1(F)CC[C@@H](CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000898019438 1031919070 /nfs/dbraw/zinc/91/90/70/1031919070.db2.gz MBMNWQLMODEZPD-AWEZNQCLSA-N 2 2 305.372 3.787 20 0 DHADLP Clc1sccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000361542693 1031981190 /nfs/dbraw/zinc/98/11/90/1031981190.db2.gz FZRLIWCDTXHVGD-IUODEOHRSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1sccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000361542693 1031981198 /nfs/dbraw/zinc/98/11/98/1031981198.db2.gz FZRLIWCDTXHVGD-IUODEOHRSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1sccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000361542693 1031981206 /nfs/dbraw/zinc/98/12/06/1031981206.db2.gz FZRLIWCDTXHVGD-IUODEOHRSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1sccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000361542693 1031981215 /nfs/dbraw/zinc/98/12/15/1031981215.db2.gz FZRLIWCDTXHVGD-IUODEOHRSA-N 2 2 310.894 3.850 20 0 DHADLP CCCC[N@H+](Cc1snnc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034224 1032016192 /nfs/dbraw/zinc/01/61/92/1032016192.db2.gz QOZSBWBRRCFIRY-UHFFFAOYSA-N 2 2 324.538 3.758 20 0 DHADLP CCCC[N@@H+](Cc1snnc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034224 1032016202 /nfs/dbraw/zinc/01/62/02/1032016202.db2.gz QOZSBWBRRCFIRY-UHFFFAOYSA-N 2 2 324.538 3.758 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172710711 1033347857 /nfs/dbraw/zinc/34/78/57/1033347857.db2.gz LUADQBWTLKPCAA-KSSFIOAISA-N 2 2 306.881 3.517 20 0 DHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844026 1033414752 /nfs/dbraw/zinc/41/47/52/1033414752.db2.gz AMRLCLGKKULLTF-KBPBESRZSA-N 2 2 312.860 3.730 20 0 DHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172844026 1033414756 /nfs/dbraw/zinc/41/47/56/1033414756.db2.gz AMRLCLGKKULLTF-KBPBESRZSA-N 2 2 312.860 3.730 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000151124705 1033417953 /nfs/dbraw/zinc/41/79/53/1033417953.db2.gz OZNMUMZIMVXJLV-CYBMUJFWSA-N 2 2 307.825 3.676 20 0 DHADLP C[C@H](Cc1c(F)cccc1Cl)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172859083 1033430087 /nfs/dbraw/zinc/43/00/87/1033430087.db2.gz YBCPVZSBKSBVGX-OLZOCXBDSA-N 2 2 321.827 3.946 20 0 DHADLP Cc1csc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000877814388 1033466266 /nfs/dbraw/zinc/46/62/66/1033466266.db2.gz XSLMYOAYUWNQBL-MRXNPFEDSA-N 2 2 324.453 3.627 20 0 DHADLP Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000877814388 1033466277 /nfs/dbraw/zinc/46/62/77/1033466277.db2.gz XSLMYOAYUWNQBL-MRXNPFEDSA-N 2 2 324.453 3.627 20 0 DHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538751 1033491192 /nfs/dbraw/zinc/49/11/92/1033491192.db2.gz UNKIQWFIOWIMOJ-ILXRZTDVSA-N 2 2 317.452 3.514 20 0 DHADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC[C@H]1F ZINC001206189570 1033523541 /nfs/dbraw/zinc/52/35/41/1033523541.db2.gz XLCKYNJBJQQYDB-OLZOCXBDSA-N 2 2 324.749 3.620 20 0 DHADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC[C@H]1F ZINC001206189570 1033523555 /nfs/dbraw/zinc/52/35/55/1033523555.db2.gz XLCKYNJBJQQYDB-OLZOCXBDSA-N 2 2 324.749 3.620 20 0 DHADLP CCCOC1CCC([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001173101100 1033541166 /nfs/dbraw/zinc/54/11/66/1033541166.db2.gz GKEGHHQYTKKWPQ-DAWZGUTISA-N 2 2 318.461 3.581 20 0 DHADLP CCCOC1CCC([N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001173101100 1033541175 /nfs/dbraw/zinc/54/11/75/1033541175.db2.gz GKEGHHQYTKKWPQ-DAWZGUTISA-N 2 2 318.461 3.581 20 0 DHADLP C1C[N@@H+](C2CCOCC2)C[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173115754 1033550656 /nfs/dbraw/zinc/55/06/56/1033550656.db2.gz AVBSEHRNZUIMBF-SFHVURJKSA-N 2 2 320.521 3.722 20 0 DHADLP C1C[N@H+](C2CCOCC2)C[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC001173115754 1033550664 /nfs/dbraw/zinc/55/06/64/1033550664.db2.gz AVBSEHRNZUIMBF-SFHVURJKSA-N 2 2 320.521 3.722 20 0 DHADLP CCc1ccc(C[C@H](C)[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001173244995 1033617345 /nfs/dbraw/zinc/61/73/45/1033617345.db2.gz FWWSJGBNIYIFIN-KRWDZBQOSA-N 2 2 302.506 3.985 20 0 DHADLP CCc1ccc(C[C@H](C)[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001173244995 1033617354 /nfs/dbraw/zinc/61/73/54/1033617354.db2.gz FWWSJGBNIYIFIN-KRWDZBQOSA-N 2 2 302.506 3.985 20 0 DHADLP CCc1ccc(C[C@@H](C)[N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001173247918 1033618764 /nfs/dbraw/zinc/61/87/64/1033618764.db2.gz DDHXKLOXXIQYLB-IIBYNOLFSA-N 2 2 308.469 3.566 20 0 DHADLP CCc1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])cc1 ZINC001173247918 1033618770 /nfs/dbraw/zinc/61/87/70/1033618770.db2.gz DDHXKLOXXIQYLB-IIBYNOLFSA-N 2 2 308.469 3.566 20 0 DHADLP CCc1ccc(C[C@H](C)N(c2cccc[nH+]2)C2CC[NH2+]CC2)cc1 ZINC001173248957 1033621790 /nfs/dbraw/zinc/62/17/90/1033621790.db2.gz WFTCRRCDNXTVPE-KRWDZBQOSA-N 2 2 323.484 3.834 20 0 DHADLP Fc1cccc([C@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667503802 1033796265 /nfs/dbraw/zinc/79/62/65/1033796265.db2.gz XWQDKFZTJXKXJX-LJQANCHMSA-N 2 2 322.387 3.744 20 0 DHADLP Fc1cccc([C@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667503802 1033796281 /nfs/dbraw/zinc/79/62/81/1033796281.db2.gz XWQDKFZTJXKXJX-LJQANCHMSA-N 2 2 322.387 3.744 20 0 DHADLP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206212974 1033836914 /nfs/dbraw/zinc/83/69/14/1033836914.db2.gz UBYBGPSFHOHAOG-ZIAGYGMSSA-N 2 2 305.224 3.563 20 0 DHADLP Cc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206212974 1033836923 /nfs/dbraw/zinc/83/69/23/1033836923.db2.gz UBYBGPSFHOHAOG-ZIAGYGMSSA-N 2 2 305.224 3.563 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@H]21 ZINC001173692179 1033835208 /nfs/dbraw/zinc/83/52/08/1033835208.db2.gz ROHZJENCCZVBLW-FFKUYJCKSA-N 2 2 324.512 3.839 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC4(CCc5ccccc54)CC3)C[C@H]21 ZINC001173692179 1033835217 /nfs/dbraw/zinc/83/52/17/1033835217.db2.gz ROHZJENCCZVBLW-FFKUYJCKSA-N 2 2 324.512 3.839 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC4(CCc5ccccc54)CC3)C[C@H]21 ZINC001173692179 1033835221 /nfs/dbraw/zinc/83/52/21/1033835221.db2.gz ROHZJENCCZVBLW-FFKUYJCKSA-N 2 2 324.512 3.839 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC4(CCc5ccccc54)CC3)C[C@H]21 ZINC001173692179 1033835233 /nfs/dbraw/zinc/83/52/33/1033835233.db2.gz ROHZJENCCZVBLW-FFKUYJCKSA-N 2 2 324.512 3.839 20 0 DHADLP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000119323318 1034021347 /nfs/dbraw/zinc/02/13/47/1034021347.db2.gz QVBGMUUFEGIJMF-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000119323318 1034021359 /nfs/dbraw/zinc/02/13/59/1034021359.db2.gz QVBGMUUFEGIJMF-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP CC[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CC1 ZINC000777301771 1034068029 /nfs/dbraw/zinc/06/80/29/1034068029.db2.gz WMWQSCANLWOGME-LJQANCHMSA-N 2 2 301.478 3.818 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(SC(F)F)cc1 ZINC000863542611 1034123409 /nfs/dbraw/zinc/12/34/09/1034123409.db2.gz QZHDJFVCWOYBMQ-BXUZGUMPSA-N 2 2 312.429 3.937 20 0 DHADLP C[C@H](c1ccccn1)[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022000 1034189014 /nfs/dbraw/zinc/18/90/14/1034189014.db2.gz JYAAIEAXDNMKHP-SLYNCCJLSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1ccccn1)[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022000 1034189031 /nfs/dbraw/zinc/18/90/31/1034189031.db2.gz JYAAIEAXDNMKHP-SLYNCCJLSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1ccccn1)[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022000 1034189035 /nfs/dbraw/zinc/18/90/35/1034189035.db2.gz JYAAIEAXDNMKHP-SLYNCCJLSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1ccccn1)[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022000 1034189041 /nfs/dbraw/zinc/18/90/41/1034189041.db2.gz JYAAIEAXDNMKHP-SLYNCCJLSA-N 2 2 321.468 3.597 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3c(Cl)n2)CC[N@@H+]1C ZINC000794558759 1034189223 /nfs/dbraw/zinc/18/92/23/1034189223.db2.gz BLMQZNSBZJJOQP-CJNGLKHVSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3c(Cl)n2)CC[N@H+]1C ZINC000794558759 1034189231 /nfs/dbraw/zinc/18/92/31/1034189231.db2.gz BLMQZNSBZJJOQP-CJNGLKHVSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3c(Cl)n2)CC[NH+]1C ZINC000794558759 1034189241 /nfs/dbraw/zinc/18/92/41/1034189241.db2.gz BLMQZNSBZJJOQP-CJNGLKHVSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3c(Cl)n2)CC[NH+]1C ZINC000794558759 1034189253 /nfs/dbraw/zinc/18/92/53/1034189253.db2.gz BLMQZNSBZJJOQP-CJNGLKHVSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC[N@@H+]1C ZINC000480352938 1034206160 /nfs/dbraw/zinc/20/61/60/1034206160.db2.gz JVVDECDOCUOSBK-OLZOCXBDSA-N 2 2 320.383 3.797 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC[N@H+]1C ZINC000480352938 1034206177 /nfs/dbraw/zinc/20/61/77/1034206177.db2.gz JVVDECDOCUOSBK-OLZOCXBDSA-N 2 2 320.383 3.797 20 0 DHADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136290 1034219886 /nfs/dbraw/zinc/21/98/86/1034219886.db2.gz JLTRCTSOZFQLRJ-PFSRBDOWSA-N 2 2 304.400 3.524 20 0 DHADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136290 1034219896 /nfs/dbraw/zinc/21/98/96/1034219896.db2.gz JLTRCTSOZFQLRJ-PFSRBDOWSA-N 2 2 304.400 3.524 20 0 DHADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136290 1034219910 /nfs/dbraw/zinc/21/99/10/1034219910.db2.gz JLTRCTSOZFQLRJ-PFSRBDOWSA-N 2 2 304.400 3.524 20 0 DHADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136290 1034219920 /nfs/dbraw/zinc/21/99/20/1034219920.db2.gz JLTRCTSOZFQLRJ-PFSRBDOWSA-N 2 2 304.400 3.524 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880321541 1034298743 /nfs/dbraw/zinc/29/87/43/1034298743.db2.gz WPZWPUKJYIZRSC-INIZCTEOSA-N 2 2 324.453 3.627 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880321541 1034298754 /nfs/dbraw/zinc/29/87/54/1034298754.db2.gz WPZWPUKJYIZRSC-INIZCTEOSA-N 2 2 324.453 3.627 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475413 1034344775 /nfs/dbraw/zinc/34/47/75/1034344775.db2.gz UAIXAUMVWROHQK-UHFFFAOYSA-N 2 2 315.505 3.828 20 0 DHADLP ClC1(Cl)C[C@H]1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569001 1034362604 /nfs/dbraw/zinc/36/26/04/1034362604.db2.gz GJAMCNVCNVTTSA-HUUCEWRRSA-N 2 2 324.255 3.798 20 0 DHADLP CC1(C)CCC[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)O1 ZINC000880569927 1034362839 /nfs/dbraw/zinc/36/28/39/1034362839.db2.gz LRXAHLVGAHKEHW-ROUUACIJSA-N 2 2 313.445 3.562 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889099 1034392714 /nfs/dbraw/zinc/39/27/14/1034392714.db2.gz GCUVXHARBYDTIL-WMLDXEAASA-N 2 2 321.534 3.963 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889099 1034392725 /nfs/dbraw/zinc/39/27/25/1034392725.db2.gz GCUVXHARBYDTIL-WMLDXEAASA-N 2 2 321.534 3.963 20 0 DHADLP c1cc2c([nH]1)[nH+]ccc2Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001174411315 1034399116 /nfs/dbraw/zinc/39/91/16/1034399116.db2.gz UXTNDIPMZYQJAK-UHFFFAOYSA-N 2 2 306.413 3.896 20 0 DHADLP c1cn2c(cccc2NC2=CC[N@H+](Cc3ccccc3)CC2)[nH+]1 ZINC001175505660 1035016927 /nfs/dbraw/zinc/01/69/27/1035016927.db2.gz UYCBMLRETGRIMN-UHFFFAOYSA-N 2 2 304.397 3.536 20 0 DHADLP c1cn2c(cccc2NC2=CC[N@@H+](Cc3ccccc3)CC2)[nH+]1 ZINC001175505660 1035016936 /nfs/dbraw/zinc/01/69/36/1035016936.db2.gz UYCBMLRETGRIMN-UHFFFAOYSA-N 2 2 304.397 3.536 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000481928336 1035037180 /nfs/dbraw/zinc/03/71/80/1035037180.db2.gz RBDMRAUYTUHWKL-WBMJQRKESA-N 2 2 314.395 3.566 20 0 DHADLP Cc1ccc(C)c([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)c1 ZINC000194336281 1035115322 /nfs/dbraw/zinc/11/53/22/1035115322.db2.gz QUAVPYXIAMJFOP-FQEVSTJZSA-N 2 2 305.425 3.879 20 0 DHADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000482486255 1035119060 /nfs/dbraw/zinc/11/90/60/1035119060.db2.gz DGANIUWENFGBIX-JSGCOSHPSA-N 2 2 300.899 3.750 20 0 DHADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000482486258 1035119195 /nfs/dbraw/zinc/11/91/95/1035119195.db2.gz DGANIUWENFGBIX-TZMCWYRMSA-N 2 2 300.899 3.750 20 0 DHADLP CC[NH+]1CCN(c2ccc(Nc3ccc(C)[nH+]c3C)cc2)CC1 ZINC001175779632 1035119842 /nfs/dbraw/zinc/11/98/42/1035119842.db2.gz MQNKHUHWNHCNTN-UHFFFAOYSA-N 2 2 310.445 3.584 20 0 DHADLP CCN(C)c1ccc(Nc2cccc(C[NH+]3CCCC3)c2)c[nH+]1 ZINC001176196136 1035217933 /nfs/dbraw/zinc/21/79/33/1035217933.db2.gz RCGUQNVVTHXZTN-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2c(C)oc3ccccc32)CC1 ZINC000924786512 1035272770 /nfs/dbraw/zinc/27/27/70/1035272770.db2.gz CTUNZBGPGJCWKR-AWEZNQCLSA-N 2 2 316.445 3.503 20 0 DHADLP COCC(C)(C)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903084741 1035279449 /nfs/dbraw/zinc/27/94/49/1035279449.db2.gz IPDJUBLXSKOBBP-HNNXBMFYSA-N 2 2 301.434 3.586 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000191839533 1035287589 /nfs/dbraw/zinc/28/75/89/1035287589.db2.gz KWTDDKLHBTYYJN-WIYYLYMNSA-N 2 2 324.468 3.628 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000191839533 1035287592 /nfs/dbraw/zinc/28/75/92/1035287592.db2.gz KWTDDKLHBTYYJN-WIYYLYMNSA-N 2 2 324.468 3.628 20 0 DHADLP Cc1cc[nH+]c(C(C)C)c1Nc1cnn(CC[NH+]2CCCC2)c1 ZINC001176558339 1035295478 /nfs/dbraw/zinc/29/54/78/1035295478.db2.gz PIZMFLNTYYZRQI-UHFFFAOYSA-N 2 2 313.449 3.549 20 0 DHADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000483827067 1035302467 /nfs/dbraw/zinc/30/24/67/1035302467.db2.gz WXBUDADLJZKJIZ-RCCFBDPRSA-N 2 2 301.478 3.667 20 0 DHADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000483827067 1035302474 /nfs/dbraw/zinc/30/24/74/1035302474.db2.gz WXBUDADLJZKJIZ-RCCFBDPRSA-N 2 2 301.478 3.667 20 0 DHADLP c1[nH+]c2n(c1C[NH+]1CCC3(CCc4ccccc4C3)CC1)CCC2 ZINC000668281417 1035308494 /nfs/dbraw/zinc/30/84/94/1035308494.db2.gz VJWRIQGCZWQVOB-UHFFFAOYSA-N 2 2 321.468 3.600 20 0 DHADLP COc1cc(Cl)c(C[NH2+]CC(C)(C)C[NH+](C)C)cc1Cl ZINC001177093458 1035349551 /nfs/dbraw/zinc/34/95/51/1035349551.db2.gz TWXBVHRYLGRWQV-UHFFFAOYSA-N 2 2 319.276 3.679 20 0 DHADLP Cc1ccc(C[C@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000484275313 1035327655 /nfs/dbraw/zinc/32/76/55/1035327655.db2.gz IBMWDLLKVPGLRS-IBGZPJMESA-N 2 2 309.457 3.803 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176977374 1035342027 /nfs/dbraw/zinc/34/20/27/1035342027.db2.gz KFGSUCJLLLKSDD-ZDUSSCGKSA-N 2 2 316.449 3.646 20 0 DHADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc2ccccc21 ZINC000484476651 1035344303 /nfs/dbraw/zinc/34/43/03/1035344303.db2.gz QDGJCOOTNVXNEE-KXBFYZLASA-N 2 2 314.498 3.928 20 0 DHADLP COc1ccccc1/C=C/C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001177425232 1035369931 /nfs/dbraw/zinc/36/99/31/1035369931.db2.gz QVUYRCGHUJSSQW-KOEDOTQGSA-N 2 2 313.445 3.609 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(F)ccc1F ZINC001204219804 1035433911 /nfs/dbraw/zinc/43/39/11/1035433911.db2.gz BHKCMCDUVWBBSD-IRXDYDNUSA-N 2 2 308.416 3.804 20 0 DHADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(F)ccc1F ZINC001204219804 1035433912 /nfs/dbraw/zinc/43/39/12/1035433912.db2.gz BHKCMCDUVWBBSD-IRXDYDNUSA-N 2 2 308.416 3.804 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F ZINC001204219804 1035433914 /nfs/dbraw/zinc/43/39/14/1035433914.db2.gz BHKCMCDUVWBBSD-IRXDYDNUSA-N 2 2 308.416 3.804 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1F ZINC001204219804 1035433916 /nfs/dbraw/zinc/43/39/16/1035433916.db2.gz BHKCMCDUVWBBSD-IRXDYDNUSA-N 2 2 308.416 3.804 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001178639762 1035440275 /nfs/dbraw/zinc/44/02/75/1035440275.db2.gz FZIBMGGTVNBACC-MOPGFXCFSA-N 2 2 300.490 3.644 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001178639762 1035440278 /nfs/dbraw/zinc/44/02/78/1035440278.db2.gz FZIBMGGTVNBACC-MOPGFXCFSA-N 2 2 300.490 3.644 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC001178639763 1035440640 /nfs/dbraw/zinc/44/06/40/1035440640.db2.gz FZIBMGGTVNBACC-OALUTQOASA-N 2 2 300.490 3.644 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC001178639763 1035440642 /nfs/dbraw/zinc/44/06/42/1035440642.db2.gz FZIBMGGTVNBACC-OALUTQOASA-N 2 2 300.490 3.644 20 0 DHADLP Fc1ccccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203357346 1035444273 /nfs/dbraw/zinc/44/42/73/1035444273.db2.gz LQJYFSHDZRLHIW-UYAOXDASSA-N 2 2 324.443 3.780 20 0 DHADLP Fc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203357346 1035444274 /nfs/dbraw/zinc/44/42/74/1035444274.db2.gz LQJYFSHDZRLHIW-UYAOXDASSA-N 2 2 324.443 3.780 20 0 DHADLP Fc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203357346 1035444279 /nfs/dbraw/zinc/44/42/79/1035444279.db2.gz LQJYFSHDZRLHIW-UYAOXDASSA-N 2 2 324.443 3.780 20 0 DHADLP Fc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203357346 1035444282 /nfs/dbraw/zinc/44/42/82/1035444282.db2.gz LQJYFSHDZRLHIW-UYAOXDASSA-N 2 2 324.443 3.780 20 0 DHADLP Cc1cc2c(cc1-c1ccc(Cn3cc[nH+]c3)cc1)C[NH2+]CC2 ZINC000904808549 1035455711 /nfs/dbraw/zinc/45/57/11/1035455711.db2.gz QIUQENCLSAQSGF-UHFFFAOYSA-N 2 2 303.409 3.553 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001179147929 1035467332 /nfs/dbraw/zinc/46/73/32/1035467332.db2.gz LLUCVNSOTUGADG-ZJRDLVKKSA-N 2 2 322.537 3.824 20 0 DHADLP Cc1cc[nH+]c(NC2CCN(c3cccc[nH+]3)CC2)c1C1CC1 ZINC000668512138 1035731107 /nfs/dbraw/zinc/73/11/07/1035731107.db2.gz KALCZLNVJHJKSI-UHFFFAOYSA-N 2 2 308.429 3.743 20 0 DHADLP Clc1c2ccccc2sc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261676887 1035802299 /nfs/dbraw/zinc/80/22/99/1035802299.db2.gz GJEUJDRTWWRBFJ-VXGBXAGGSA-N 2 2 306.862 3.596 20 0 DHADLP Clc1c2ccccc2sc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261676887 1035802320 /nfs/dbraw/zinc/80/23/20/1035802320.db2.gz GJEUJDRTWWRBFJ-VXGBXAGGSA-N 2 2 306.862 3.596 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000225617665 1035809209 /nfs/dbraw/zinc/80/92/09/1035809209.db2.gz SCJXRPFUJSKZML-UHFFFAOYSA-N 2 2 306.422 3.555 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000225617665 1035809230 /nfs/dbraw/zinc/80/92/30/1035809230.db2.gz SCJXRPFUJSKZML-UHFFFAOYSA-N 2 2 306.422 3.555 20 0 DHADLP CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001194189162 1035867396 /nfs/dbraw/zinc/86/73/96/1035867396.db2.gz CCUSMPGRHNPRTJ-ROUUACIJSA-N 2 2 315.486 3.945 20 0 DHADLP Fc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000485712291 1035896959 /nfs/dbraw/zinc/89/69/59/1035896959.db2.gz MRWBWAIBGRJPAQ-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000485712291 1035896965 /nfs/dbraw/zinc/89/69/65/1035896965.db2.gz MRWBWAIBGRJPAQ-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000485712291 1035896971 /nfs/dbraw/zinc/89/69/71/1035896971.db2.gz MRWBWAIBGRJPAQ-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000485712291 1035897023 /nfs/dbraw/zinc/89/70/23/1035897023.db2.gz MRWBWAIBGRJPAQ-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC001181436389 1035923318 /nfs/dbraw/zinc/92/33/18/1035923318.db2.gz QVASGHNMFVGSJN-ULQDDVLXSA-N 2 2 322.537 3.823 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC001181436389 1035923334 /nfs/dbraw/zinc/92/33/34/1035923334.db2.gz QVASGHNMFVGSJN-ULQDDVLXSA-N 2 2 322.537 3.823 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC001181436388 1035924789 /nfs/dbraw/zinc/92/47/89/1035924789.db2.gz QVASGHNMFVGSJN-IXDOHACOSA-N 2 2 322.537 3.823 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC001181436388 1035924796 /nfs/dbraw/zinc/92/47/96/1035924796.db2.gz QVASGHNMFVGSJN-IXDOHACOSA-N 2 2 322.537 3.823 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001181436599 1035925016 /nfs/dbraw/zinc/92/50/16/1035925016.db2.gz WLQUNNZVOBYWRO-APWZRJJASA-N 2 2 300.490 3.502 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001181436599 1035925022 /nfs/dbraw/zinc/92/50/22/1035925022.db2.gz WLQUNNZVOBYWRO-APWZRJJASA-N 2 2 300.490 3.502 20 0 DHADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc3cccc(Cl)c3nc2Cl)CC1 ZINC001205110319 1035968473 /nfs/dbraw/zinc/96/84/73/1035968473.db2.gz SBJDAXWITSSVQO-CYBMUJFWSA-N 2 2 324.255 3.855 20 0 DHADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3cccc(Cl)c3nc2Cl)CC1 ZINC001205110319 1035968490 /nfs/dbraw/zinc/96/84/90/1035968490.db2.gz SBJDAXWITSSVQO-CYBMUJFWSA-N 2 2 324.255 3.855 20 0 DHADLP CCc1ccc([C@H](C[NH2+]C[C@H]2CCC=CO2)[NH+](CC)CC)cc1 ZINC001182109886 1036095793 /nfs/dbraw/zinc/09/57/93/1036095793.db2.gz UQVWKIOGEOZJSB-UXHICEINSA-N 2 2 316.489 3.914 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001203803713 1036133462 /nfs/dbraw/zinc/13/34/62/1036133462.db2.gz VMZUDLVQXACLOH-MRXNPFEDSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001203803713 1036133473 /nfs/dbraw/zinc/13/34/73/1036133473.db2.gz VMZUDLVQXACLOH-MRXNPFEDSA-N 2 2 302.805 3.697 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C/C=C/c2ccncc2)C1 ZINC000494995237 1036179957 /nfs/dbraw/zinc/17/99/57/1036179957.db2.gz LTCYUJDOTNRWGE-UYLUUYTCSA-N 2 2 313.489 3.681 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C/C=C/c2ccncc2)C1 ZINC000494995237 1036179969 /nfs/dbraw/zinc/17/99/69/1036179969.db2.gz LTCYUJDOTNRWGE-UYLUUYTCSA-N 2 2 313.489 3.681 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C/C=C/c2ccncc2)C1 ZINC000494995237 1036179978 /nfs/dbraw/zinc/17/99/78/1036179978.db2.gz LTCYUJDOTNRWGE-UYLUUYTCSA-N 2 2 313.489 3.681 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C/C=C/c2ccncc2)C1 ZINC000494995237 1036179992 /nfs/dbraw/zinc/17/99/92/1036179992.db2.gz LTCYUJDOTNRWGE-UYLUUYTCSA-N 2 2 313.489 3.681 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000250217639 1036255896 /nfs/dbraw/zinc/25/58/96/1036255896.db2.gz DJIAYPCLYPRGSL-CHWSQXEVSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000250217639 1036255924 /nfs/dbraw/zinc/25/59/24/1036255924.db2.gz DJIAYPCLYPRGSL-CHWSQXEVSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000250217641 1036256815 /nfs/dbraw/zinc/25/68/15/1036256815.db2.gz DJIAYPCLYPRGSL-OLZOCXBDSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000250217641 1036256837 /nfs/dbraw/zinc/25/68/37/1036256837.db2.gz DJIAYPCLYPRGSL-OLZOCXBDSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000250374022 1036271080 /nfs/dbraw/zinc/27/10/80/1036271080.db2.gz WDXSCMXDMFWRDR-IUODEOHRSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000250374022 1036271095 /nfs/dbraw/zinc/27/10/95/1036271095.db2.gz WDXSCMXDMFWRDR-IUODEOHRSA-N 2 2 300.368 3.840 20 0 DHADLP Fc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc2)nc1 ZINC000541546230 1036351584 /nfs/dbraw/zinc/35/15/84/1036351584.db2.gz ANPAYAJNGAGERP-LJQANCHMSA-N 2 2 324.403 3.577 20 0 DHADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001206541333 1036458119 /nfs/dbraw/zinc/45/81/19/1036458119.db2.gz GNUNLNYPYIPDDR-OAHLLOKOSA-N 2 2 301.261 3.944 20 0 DHADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001206541333 1036458123 /nfs/dbraw/zinc/45/81/23/1036458123.db2.gz GNUNLNYPYIPDDR-OAHLLOKOSA-N 2 2 301.261 3.944 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC001182854807 1036467757 /nfs/dbraw/zinc/46/77/57/1036467757.db2.gz LMTRPCBZDXUJQI-JQHSSLGASA-N 2 2 316.489 3.695 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)C1 ZINC001182854807 1036467759 /nfs/dbraw/zinc/46/77/59/1036467759.db2.gz LMTRPCBZDXUJQI-JQHSSLGASA-N 2 2 316.489 3.695 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001182919155 1036474712 /nfs/dbraw/zinc/47/47/12/1036474712.db2.gz VSQIMLZUWIJRPB-MAUKXSAKSA-N 2 2 304.453 3.753 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC001182919155 1036474718 /nfs/dbraw/zinc/47/47/18/1036474718.db2.gz VSQIMLZUWIJRPB-MAUKXSAKSA-N 2 2 304.453 3.753 20 0 DHADLP CCC1(CC)[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C[C@@H]1OC ZINC001182918042 1036484242 /nfs/dbraw/zinc/48/42/42/1036484242.db2.gz IESWMGKPUHMINR-KURKYZTESA-N 2 2 308.510 3.577 20 0 DHADLP CCC1(CC)[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C[C@@H]1OC ZINC001182918042 1036484247 /nfs/dbraw/zinc/48/42/47/1036484247.db2.gz IESWMGKPUHMINR-KURKYZTESA-N 2 2 308.510 3.577 20 0 DHADLP CC[C@@H]1CCCC[C@H]1C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC001183179254 1036535282 /nfs/dbraw/zinc/53/52/82/1036535282.db2.gz CVJRIQXIDGVLCU-MOPGFXCFSA-N 2 2 322.537 3.780 20 0 DHADLP c1cn(C[C@@H]([NH2+]C[C@H]2CCc3ccccc32)c2ccccc2)c[nH+]1 ZINC001183499304 1036609165 /nfs/dbraw/zinc/60/91/65/1036609165.db2.gz LJEFSRMBLQRJRB-TZIWHRDSSA-N 2 2 317.436 3.944 20 0 DHADLP CCCCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000151878896 1036691276 /nfs/dbraw/zinc/69/12/76/1036691276.db2.gz LFOOPMANJQBQLE-UHFFFAOYSA-N 2 2 303.494 3.891 20 0 DHADLP Cc1ccc2cc(C[NH+]3CCC(c4c[nH+]cn4C)CC3)ccc2n1 ZINC001184363918 1036811998 /nfs/dbraw/zinc/81/19/98/1036811998.db2.gz HKTYJEZLQAJOFK-UHFFFAOYSA-N 2 2 320.440 3.656 20 0 DHADLP CC(C)(C)OC[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001197630240 1036837715 /nfs/dbraw/zinc/83/77/15/1036837715.db2.gz NUKWPZNATOSFDT-GOSISDBHSA-N 2 2 313.445 3.652 20 0 DHADLP CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001197630240 1036837732 /nfs/dbraw/zinc/83/77/32/1036837732.db2.gz NUKWPZNATOSFDT-GOSISDBHSA-N 2 2 313.445 3.652 20 0 DHADLP C[C@H]1CC[N@H+](Cc2c(Cl)cccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205303350 1036899192 /nfs/dbraw/zinc/89/91/92/1036899192.db2.gz CTKAZUKYMISXJB-QWRGUYRKSA-N 2 2 320.786 3.776 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205303350 1036899212 /nfs/dbraw/zinc/89/92/12/1036899212.db2.gz CTKAZUKYMISXJB-QWRGUYRKSA-N 2 2 320.786 3.776 20 0 DHADLP CCc1cc(NC[C@H](C(C)C)[NH+]2CCCCCC2)nc(CC)[nH+]1 ZINC001184740298 1036944858 /nfs/dbraw/zinc/94/48/58/1036944858.db2.gz OUPLEVKXLICIBT-QGZVFWFLSA-N 2 2 318.509 3.914 20 0 DHADLP CCc1cc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)nc(CC)[nH+]1 ZINC001185169743 1037051169 /nfs/dbraw/zinc/05/11/69/1037051169.db2.gz CKBALZQSGILOTM-AWEZNQCLSA-N 2 2 304.482 3.524 20 0 DHADLP CCc1cc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)nc(CC)[nH+]1 ZINC001185169743 1037051186 /nfs/dbraw/zinc/05/11/86/1037051186.db2.gz CKBALZQSGILOTM-AWEZNQCLSA-N 2 2 304.482 3.524 20 0 DHADLP Cc1cccc(Cl)c1C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001198821745 1037143482 /nfs/dbraw/zinc/14/34/82/1037143482.db2.gz VUOGJBUUNMTSCP-KDURUIRLSA-N 2 2 318.892 3.956 20 0 DHADLP Cc1cccc(Cl)c1C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001198821745 1037143489 /nfs/dbraw/zinc/14/34/89/1037143489.db2.gz VUOGJBUUNMTSCP-KDURUIRLSA-N 2 2 318.892 3.956 20 0 DHADLP Cc1cccc(Cl)c1C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001198821745 1037143496 /nfs/dbraw/zinc/14/34/96/1037143496.db2.gz VUOGJBUUNMTSCP-KDURUIRLSA-N 2 2 318.892 3.956 20 0 DHADLP Cc1cccc(Cl)c1C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001198821745 1037143500 /nfs/dbraw/zinc/14/35/00/1037143500.db2.gz VUOGJBUUNMTSCP-KDURUIRLSA-N 2 2 318.892 3.956 20 0 DHADLP CCc1cc(NC2CCC([NH+]3CCCCC3)CC2)nc(CC)[nH+]1 ZINC001185612106 1037192755 /nfs/dbraw/zinc/19/27/55/1037192755.db2.gz VUNXKLNZPMWBHL-UHFFFAOYSA-N 2 2 316.493 3.810 20 0 DHADLP C(=C\c1ccccc1)\C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001199179238 1037211293 /nfs/dbraw/zinc/21/12/93/1037211293.db2.gz VFGFZWHKQZKAGY-YHYXMXQVSA-N 2 2 303.409 3.734 20 0 DHADLP Clc1ccnc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000924843738 1037270427 /nfs/dbraw/zinc/27/04/27/1037270427.db2.gz MRJCJCCEJLZFIK-KRWDZBQOSA-N 2 2 319.880 3.719 20 0 DHADLP CCc1cc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)nc(CC)[nH+]1 ZINC001186315819 1037364847 /nfs/dbraw/zinc/36/48/47/1037364847.db2.gz KENCCZLJKQBQCR-AUUYWEPGSA-N 2 2 312.461 3.705 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(Cl)c1Cl ZINC001205913017 1037570815 /nfs/dbraw/zinc/57/08/15/1037570815.db2.gz GBWUODFMFNFKRL-RYUDHWBXSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(Cl)c1Cl ZINC001205913017 1037570829 /nfs/dbraw/zinc/57/08/29/1037570829.db2.gz GBWUODFMFNFKRL-RYUDHWBXSA-N 2 2 301.261 3.861 20 0 DHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001205914157 1037577094 /nfs/dbraw/zinc/57/70/94/1037577094.db2.gz LHFHELSJPQMATD-NXEZZACHSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(C(F)(F)F)c(F)c1F ZINC001205914157 1037577105 /nfs/dbraw/zinc/57/71/05/1037577105.db2.gz LHFHELSJPQMATD-NXEZZACHSA-N 2 2 322.321 3.543 20 0 DHADLP COC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000493944824 1037600915 /nfs/dbraw/zinc/60/09/15/1037600915.db2.gz LHAZCMHCJHDDPF-YJBOKZPZSA-N 2 2 324.896 3.882 20 0 DHADLP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1 ZINC000493944824 1037600924 /nfs/dbraw/zinc/60/09/24/1037600924.db2.gz LHAZCMHCJHDDPF-YJBOKZPZSA-N 2 2 324.896 3.882 20 0 DHADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCCCC4)CC[C@H]32)n1 ZINC001201393773 1037626162 /nfs/dbraw/zinc/62/61/62/1037626162.db2.gz NKKHXJWIKQBQSG-IAGOWNOFSA-N 2 2 319.518 3.620 20 0 DHADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCCCC4)CC[C@H]32)n1 ZINC001201393773 1037626173 /nfs/dbraw/zinc/62/61/73/1037626173.db2.gz NKKHXJWIKQBQSG-IAGOWNOFSA-N 2 2 319.518 3.620 20 0 DHADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCCCC4)CC[C@H]32)n1 ZINC001201393773 1037626179 /nfs/dbraw/zinc/62/61/79/1037626179.db2.gz NKKHXJWIKQBQSG-IAGOWNOFSA-N 2 2 319.518 3.620 20 0 DHADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCCCC4)CC[C@H]32)n1 ZINC001201393773 1037626189 /nfs/dbraw/zinc/62/61/89/1037626189.db2.gz NKKHXJWIKQBQSG-IAGOWNOFSA-N 2 2 319.518 3.620 20 0 DHADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000494173157 1037661194 /nfs/dbraw/zinc/66/11/94/1037661194.db2.gz OWXXCQRMDAOWNI-OAHLLOKOSA-N 2 2 309.523 3.553 20 0 DHADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000494173157 1037661197 /nfs/dbraw/zinc/66/11/97/1037661197.db2.gz OWXXCQRMDAOWNI-OAHLLOKOSA-N 2 2 309.523 3.553 20 0 DHADLP CCCc1csc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000494195807 1037674118 /nfs/dbraw/zinc/67/41/18/1037674118.db2.gz RPYRSEZHJPCIMS-HUUCEWRRSA-N 2 2 321.534 3.838 20 0 DHADLP CCCc1csc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000494195807 1037674124 /nfs/dbraw/zinc/67/41/24/1037674124.db2.gz RPYRSEZHJPCIMS-HUUCEWRRSA-N 2 2 321.534 3.838 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCCc2ccccc2)C1 ZINC000187368132 1037961834 /nfs/dbraw/zinc/96/18/34/1037961834.db2.gz KVYSRRDNXNQNIK-LJQANCHMSA-N 2 2 311.473 3.698 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000187368132 1037961848 /nfs/dbraw/zinc/96/18/48/1037961848.db2.gz KVYSRRDNXNQNIK-LJQANCHMSA-N 2 2 311.473 3.698 20 0 DHADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCCO2 ZINC000126453825 1038067540 /nfs/dbraw/zinc/06/75/40/1038067540.db2.gz VDZRLSGEOAKMTG-INIZCTEOSA-N 2 2 319.836 3.739 20 0 DHADLP C[C@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000127582106 1038198129 /nfs/dbraw/zinc/19/81/29/1038198129.db2.gz QSJZREMXNRCUGU-MRXNPFEDSA-N 2 2 323.415 3.964 20 0 DHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000572195439 1038349592 /nfs/dbraw/zinc/34/95/92/1038349592.db2.gz HPNSUGSXXYKNLA-JTQLQIEISA-N 2 2 305.224 3.564 20 0 DHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000572195439 1038349610 /nfs/dbraw/zinc/34/96/10/1038349610.db2.gz HPNSUGSXXYKNLA-JTQLQIEISA-N 2 2 305.224 3.564 20 0 DHADLP CCC(O)(CC)C(C)(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000572379297 1038368124 /nfs/dbraw/zinc/36/81/24/1038368124.db2.gz BGGBDJCSLFIDMB-UHFFFAOYSA-N 2 2 321.490 3.601 20 0 DHADLP COc1cccc2c(N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000573738728 1039069771 /nfs/dbraw/zinc/06/97/71/1039069771.db2.gz UXXLZLQRGRAIAH-KBPBESRZSA-N 2 2 311.429 3.589 20 0 DHADLP COc1cccc2c(N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000573738728 1039069787 /nfs/dbraw/zinc/06/97/87/1039069787.db2.gz UXXLZLQRGRAIAH-KBPBESRZSA-N 2 2 311.429 3.589 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573921206 1039104145 /nfs/dbraw/zinc/10/41/45/1039104145.db2.gz MSBLGXUCGDFDDA-BBRMVZONSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573921206 1039104156 /nfs/dbraw/zinc/10/41/56/1039104156.db2.gz MSBLGXUCGDFDDA-BBRMVZONSA-N 2 2 323.278 3.586 20 0 DHADLP CC(C)n1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000604884356 1039570098 /nfs/dbraw/zinc/57/00/98/1039570098.db2.gz LARNCOTXHSLZKU-UHFFFAOYSA-N 2 2 318.509 3.552 20 0 DHADLP [NH3+]Cc1cccc(-c2c[nH+]cn2[C@H]2CCc3cc(F)ccc3C2)c1 ZINC001168421121 1039772972 /nfs/dbraw/zinc/77/29/72/1039772972.db2.gz OLBVMDPLOKQQKI-IBGZPJMESA-N 2 2 321.399 3.878 20 0 DHADLP [NH3+]Cc1ccc(-c2c[nH+]cn2[C@@H]2CCc3cc(F)ccc3C2)cc1 ZINC001168421655 1039941562 /nfs/dbraw/zinc/94/15/62/1039941562.db2.gz SJJDXPKZKUDXFU-LJQANCHMSA-N 2 2 321.399 3.878 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000608061182 1040356656 /nfs/dbraw/zinc/35/66/56/1040356656.db2.gz FHOWBBLTWCNALV-UONOGXRCSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[N@H+]1C ZINC000608061182 1040356672 /nfs/dbraw/zinc/35/66/72/1040356672.db2.gz FHOWBBLTWCNALV-UONOGXRCSA-N 2 2 302.393 3.658 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC(F)F)cc2)C1 ZINC000072858516 191238734 /nfs/dbraw/zinc/23/87/34/191238734.db2.gz AEGWGJLPKRWLPB-CQSZACIVSA-N 2 2 314.445 3.775 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC(F)F)cc2)C1 ZINC000072858516 191238737 /nfs/dbraw/zinc/23/87/37/191238737.db2.gz AEGWGJLPKRWLPB-CQSZACIVSA-N 2 2 314.445 3.775 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000072858516 191238740 /nfs/dbraw/zinc/23/87/40/191238740.db2.gz AEGWGJLPKRWLPB-CQSZACIVSA-N 2 2 314.445 3.775 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000072858516 191238742 /nfs/dbraw/zinc/23/87/42/191238742.db2.gz AEGWGJLPKRWLPB-CQSZACIVSA-N 2 2 314.445 3.775 20 0 DHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2nccs2)CC1 ZINC000093399045 193244935 /nfs/dbraw/zinc/24/49/35/193244935.db2.gz GCNNUUNZJJBXQU-OAHLLOKOSA-N 2 2 315.486 3.767 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1C ZINC000093645118 193280428 /nfs/dbraw/zinc/28/04/28/193280428.db2.gz KCWTVKWRKNVBQV-FZMZJTMJSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2C(F)(F)F)CC[N@H+]1C ZINC000093645118 193280429 /nfs/dbraw/zinc/28/04/29/193280429.db2.gz KCWTVKWRKNVBQV-FZMZJTMJSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC[NH+]1C ZINC000093645118 193280430 /nfs/dbraw/zinc/28/04/30/193280430.db2.gz KCWTVKWRKNVBQV-FZMZJTMJSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC[NH+]1C ZINC000093645118 193280431 /nfs/dbraw/zinc/28/04/31/193280431.db2.gz KCWTVKWRKNVBQV-FZMZJTMJSA-N 2 2 318.358 3.759 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000019960185 182171093 /nfs/dbraw/zinc/17/10/93/182171093.db2.gz YOHVYCOFRXFBRB-WFASDCNBSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000019960185 182171094 /nfs/dbraw/zinc/17/10/94/182171094.db2.gz YOHVYCOFRXFBRB-WFASDCNBSA-N 2 2 300.368 3.840 20 0 DHADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000021513178 182276254 /nfs/dbraw/zinc/27/62/54/182276254.db2.gz VDQQPNQDPZJACI-UHFFFAOYSA-N 2 2 301.261 3.956 20 0 DHADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000037157154 182870279 /nfs/dbraw/zinc/87/02/79/182870279.db2.gz LKXZGLRTDHAPGW-IUODEOHRSA-N 2 2 322.250 3.775 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000272299220 130016904 /nfs/dbraw/zinc/01/69/04/130016904.db2.gz QHMOPHQJOIWRKW-SJORKVTESA-N 2 2 324.472 3.721 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000272299220 130016906 /nfs/dbraw/zinc/01/69/06/130016906.db2.gz QHMOPHQJOIWRKW-SJORKVTESA-N 2 2 324.472 3.721 20 0 DHADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000272481194 130034501 /nfs/dbraw/zinc/03/45/01/130034501.db2.gz JJOXWTGZYVAXMM-PBHICJAKSA-N 2 2 321.415 3.684 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC000274848196 130267365 /nfs/dbraw/zinc/26/73/65/130267365.db2.gz QKHJLZUHGABTDR-ORUOVYNKSA-N 2 2 313.272 3.806 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC000274848196 130267366 /nfs/dbraw/zinc/26/73/66/130267366.db2.gz QKHJLZUHGABTDR-ORUOVYNKSA-N 2 2 313.272 3.806 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000275250136 130299992 /nfs/dbraw/zinc/29/99/92/130299992.db2.gz PBXDAMJGPSUYEB-OAQYLSRUSA-N 2 2 324.468 3.768 20 0 DHADLP c1c[nH+]c(C2CC[NH+](CCCCCOc3ccccc3)CC2)[nH]1 ZINC000275796778 130385906 /nfs/dbraw/zinc/38/59/06/130385906.db2.gz ZMZKJNLOJHZBLG-UHFFFAOYSA-N 2 2 313.445 3.838 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000279584370 130752887 /nfs/dbraw/zinc/75/28/87/130752887.db2.gz BVIDYRBSFYXVKS-NRFANRHFSA-N 2 2 323.484 3.943 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccccc3)on2)CC1 ZINC000285208370 131147017 /nfs/dbraw/zinc/14/70/17/131147017.db2.gz WZDACONLGHAZTR-UHFFFAOYSA-N 2 2 313.445 3.648 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccccc3)on2)CC1 ZINC000285208370 131147018 /nfs/dbraw/zinc/14/70/18/131147018.db2.gz WZDACONLGHAZTR-UHFFFAOYSA-N 2 2 313.445 3.648 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(F)(F)CC1 ZINC000287016641 131259904 /nfs/dbraw/zinc/25/99/04/131259904.db2.gz RCAJTGLVVRHQHU-UHFFFAOYSA-N 2 2 305.372 3.882 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(F)(F)CC1 ZINC000287016641 131259905 /nfs/dbraw/zinc/25/99/05/131259905.db2.gz RCAJTGLVVRHQHU-UHFFFAOYSA-N 2 2 305.372 3.882 20 0 DHADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340247375 131265256 /nfs/dbraw/zinc/26/52/56/131265256.db2.gz NQKHGVOJTABOPJ-IAGOWNOFSA-N 2 2 315.486 3.685 20 0 DHADLP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340247375 131265257 /nfs/dbraw/zinc/26/52/57/131265257.db2.gz NQKHGVOJTABOPJ-IAGOWNOFSA-N 2 2 315.486 3.685 20 0 DHADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340247374 131265331 /nfs/dbraw/zinc/26/53/31/131265331.db2.gz NQKHGVOJTABOPJ-DLBZAZTESA-N 2 2 315.486 3.685 20 0 DHADLP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340247374 131265332 /nfs/dbraw/zinc/26/53/32/131265332.db2.gz NQKHGVOJTABOPJ-DLBZAZTESA-N 2 2 315.486 3.685 20 0 DHADLP Clc1cccc2c(N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc[nH+]c12 ZINC000287754338 131298419 /nfs/dbraw/zinc/29/84/19/131298419.db2.gz HEGGTRKPNWHECH-LBPRGKRZSA-N 2 2 312.804 3.995 20 0 DHADLP CC(C)n1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000369555257 131309976 /nfs/dbraw/zinc/30/99/76/131309976.db2.gz ALCFEMWHLSXUMJ-ZWKOTPCHSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000369555257 131309977 /nfs/dbraw/zinc/30/99/77/131309977.db2.gz ALCFEMWHLSXUMJ-ZWKOTPCHSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1nccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000369555257 131309978 /nfs/dbraw/zinc/30/99/78/131309978.db2.gz ALCFEMWHLSXUMJ-ZWKOTPCHSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1nccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000369555257 131309979 /nfs/dbraw/zinc/30/99/79/131309979.db2.gz ALCFEMWHLSXUMJ-ZWKOTPCHSA-N 2 2 318.509 3.550 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccc(Br)o1 ZINC000289145369 131361864 /nfs/dbraw/zinc/36/18/64/131361864.db2.gz PSSLLJBADYKCTJ-UHFFFAOYSA-N 2 2 323.234 3.810 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccc(Br)o1 ZINC000289145369 131361866 /nfs/dbraw/zinc/36/18/66/131361866.db2.gz PSSLLJBADYKCTJ-UHFFFAOYSA-N 2 2 323.234 3.810 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000289227892 131367246 /nfs/dbraw/zinc/36/72/46/131367246.db2.gz JXNVKHWKBOIHQB-UHFFFAOYSA-N 2 2 300.368 3.987 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000289227892 131367247 /nfs/dbraw/zinc/36/72/47/131367247.db2.gz JXNVKHWKBOIHQB-UHFFFAOYSA-N 2 2 300.368 3.987 20 0 DHADLP c1ccc(OC2CC2)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000289250507 131368675 /nfs/dbraw/zinc/36/86/75/131368675.db2.gz BKPJRIMZQOFJQJ-UHFFFAOYSA-N 2 2 314.473 3.678 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000289452075 131386985 /nfs/dbraw/zinc/38/69/85/131386985.db2.gz UWWFYZFGZQOVCT-GJZGRUSLSA-N 2 2 300.368 3.754 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000289452075 131386987 /nfs/dbraw/zinc/38/69/87/131386987.db2.gz UWWFYZFGZQOVCT-GJZGRUSLSA-N 2 2 300.368 3.754 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000289584617 131397815 /nfs/dbraw/zinc/39/78/15/131397815.db2.gz HOZLHEYVDAURQQ-CYBMUJFWSA-N 2 2 303.837 3.842 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000289584617 131397817 /nfs/dbraw/zinc/39/78/17/131397817.db2.gz HOZLHEYVDAURQQ-CYBMUJFWSA-N 2 2 303.837 3.842 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000297885384 132039314 /nfs/dbraw/zinc/03/93/14/132039314.db2.gz QQPYOCFQTSNDGB-UHFFFAOYSA-N 2 2 315.436 3.589 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000297885384 132039316 /nfs/dbraw/zinc/03/93/16/132039316.db2.gz QQPYOCFQTSNDGB-UHFFFAOYSA-N 2 2 315.436 3.589 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000298309651 132055919 /nfs/dbraw/zinc/05/59/19/132055919.db2.gz IIFIXDBYLYOQKV-CYBMUJFWSA-N 2 2 324.419 3.814 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000298427883 132061908 /nfs/dbraw/zinc/06/19/08/132061908.db2.gz UNYCRFICSXACKI-HNAYVOBHSA-N 2 2 321.424 3.938 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000298427880 132061967 /nfs/dbraw/zinc/06/19/67/132061967.db2.gz UNYCRFICSXACKI-DNVCBOLYSA-N 2 2 321.424 3.938 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000298578463 132068758 /nfs/dbraw/zinc/06/87/58/132068758.db2.gz XOLOVOQAUNVZIN-LJQANCHMSA-N 2 2 308.429 3.671 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000298578463 132068760 /nfs/dbraw/zinc/06/87/60/132068760.db2.gz XOLOVOQAUNVZIN-LJQANCHMSA-N 2 2 308.429 3.671 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000121724373 132158609 /nfs/dbraw/zinc/15/86/09/132158609.db2.gz XTZKLHIYYRRNEI-KRWDZBQOSA-N 2 2 312.457 3.946 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H](C)[C@H]3Oc4ccccc4[C@H]3C)c[nH+]c12 ZINC000530974052 331750348 /nfs/dbraw/zinc/75/03/48/331750348.db2.gz FCEGAXYIGUQKDT-CLCXKQKWSA-N 2 2 321.424 3.686 20 0 DHADLP CC[C@@H](COC)[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000153429579 331818190 /nfs/dbraw/zinc/81/81/90/331818190.db2.gz UUQQBKSANPPWED-JKSUJKDBSA-N 2 2 310.507 3.536 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000558105441 331876815 /nfs/dbraw/zinc/87/68/15/331876815.db2.gz ZUJNJAMSXYHALZ-MAUPQMMJSA-N 2 2 323.362 3.984 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cc(Cl)cs1 ZINC000093093398 331921859 /nfs/dbraw/zinc/92/18/59/331921859.db2.gz YJTHRDCKJMFVPV-UHFFFAOYSA-N 2 2 305.834 3.849 20 0 DHADLP CCSCC[C@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132246140 332120442 /nfs/dbraw/zinc/12/04/42/332120442.db2.gz KFZBNDSYVZSHRA-WMZOPIPTSA-N 2 2 306.519 3.772 20 0 DHADLP CCSCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132246140 332120443 /nfs/dbraw/zinc/12/04/43/332120443.db2.gz KFZBNDSYVZSHRA-WMZOPIPTSA-N 2 2 306.519 3.772 20 0 DHADLP C[C@@H]1CCC[C@@H](C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000092560731 332133995 /nfs/dbraw/zinc/13/39/95/332133995.db2.gz HHISGRMQOFWPHG-IEBWSBKVSA-N 2 2 311.473 3.890 20 0 DHADLP C[C@@H](C[NH2+]Cc1c(Cl)oc2ccccc21)C[NH+]1CCCC1 ZINC000133164462 332137909 /nfs/dbraw/zinc/13/79/09/332137909.db2.gz IOVIXAHMXGEELK-ZDUSSCGKSA-N 2 2 306.837 3.908 20 0 DHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000426058102 335094420 /nfs/dbraw/zinc/09/44/20/335094420.db2.gz CWMAHBIBBONHBN-WBVHZDCISA-N 2 2 316.445 3.503 20 0 DHADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000426058102 335094421 /nfs/dbraw/zinc/09/44/21/335094421.db2.gz CWMAHBIBBONHBN-WBVHZDCISA-N 2 2 316.445 3.503 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC1(C)C ZINC000559913220 332292362 /nfs/dbraw/zinc/29/23/62/332292362.db2.gz GYYGECZFOXMNSE-ZIFCJYIRSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC1(C)C ZINC000559913220 332292364 /nfs/dbraw/zinc/29/23/64/332292364.db2.gz GYYGECZFOXMNSE-ZIFCJYIRSA-N 2 2 315.505 3.708 20 0 DHADLP c1cn(CCCC[NH2+]C2CCC(OC3CCCC3)CC2)c[nH+]1 ZINC000560126866 332313189 /nfs/dbraw/zinc/31/31/89/332313189.db2.gz OFRYSHMYNTZMIG-UHFFFAOYSA-N 2 2 305.466 3.523 20 0 DHADLP CCc1ccc([C@H](C[NH2+]Cc2cccc(F)c2)[NH+](C)C)cc1 ZINC000518747975 332314539 /nfs/dbraw/zinc/31/45/39/332314539.db2.gz BBQPKFHHMHNQBL-IBGZPJMESA-N 2 2 300.421 3.781 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000560584888 332365424 /nfs/dbraw/zinc/36/54/24/332365424.db2.gz MORNOVJWMGHUFG-UHFFFAOYSA-N 2 2 318.427 3.962 20 0 DHADLP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449554525 332416406 /nfs/dbraw/zinc/41/64/06/332416406.db2.gz BXDIWPXVZABJSP-OLZOCXBDSA-N 2 2 302.384 3.566 20 0 DHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427891686 332556723 /nfs/dbraw/zinc/55/67/23/332556723.db2.gz DZOIZXAPCRQMFT-IEBWSBKVSA-N 2 2 309.457 3.989 20 0 DHADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427894513 332557170 /nfs/dbraw/zinc/55/71/70/332557170.db2.gz LFDZBSNPLRUFCS-GXTWGEPZSA-N 2 2 322.239 3.782 20 0 DHADLP C[C@@H](CC[NH2+]Cc1cnc(C(F)(F)F)s1)[NH+]1CCCCC1 ZINC000444000223 332648299 /nfs/dbraw/zinc/64/82/99/332648299.db2.gz GHAZVMNXWWKVQQ-NSHDSACASA-N 2 2 321.412 3.516 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312772426 333005359 /nfs/dbraw/zinc/00/53/59/333005359.db2.gz SWWHPCDWENDDFZ-FXPVBKGRSA-N 2 2 307.290 3.873 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312772426 333005360 /nfs/dbraw/zinc/00/53/60/333005360.db2.gz SWWHPCDWENDDFZ-FXPVBKGRSA-N 2 2 307.290 3.873 20 0 DHADLP Fc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000189029136 333061489 /nfs/dbraw/zinc/06/14/89/333061489.db2.gz QKLZAQBMWXNDJI-INIZCTEOSA-N 2 2 310.844 3.929 20 0 DHADLP Fc1ccc(Cl)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000189029136 333061490 /nfs/dbraw/zinc/06/14/90/333061490.db2.gz QKLZAQBMWXNDJI-INIZCTEOSA-N 2 2 310.844 3.929 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC([NH+]4CCCC4)CC3)[nH+]c2c1 ZINC000460965624 333112832 /nfs/dbraw/zinc/11/28/32/333112832.db2.gz SROARYNUZRKEBK-UHFFFAOYSA-N 2 2 309.457 3.916 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+]CC1(SC)CCC1)c1ccccc1 ZINC000314546706 333142213 /nfs/dbraw/zinc/14/22/13/333142213.db2.gz RPQWOFBBALOZPE-QGZVFWFLSA-N 2 2 306.519 3.945 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000582102481 333224806 /nfs/dbraw/zinc/22/48/06/333224806.db2.gz YEQHWNHKQMGIAC-QGZVFWFLSA-N 2 2 318.505 3.659 20 0 DHADLP CCCOc1cccc2c(N[C@H]3CC[N@H+](C)[C@H](C)C3)cc[nH+]c12 ZINC000497260928 333229201 /nfs/dbraw/zinc/22/92/01/333229201.db2.gz KNOKMXRWIUOTTK-CABCVRRESA-N 2 2 313.445 3.918 20 0 DHADLP CCCOc1cccc2c(N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc[nH+]c12 ZINC000497260928 333229202 /nfs/dbraw/zinc/22/92/02/333229202.db2.gz KNOKMXRWIUOTTK-CABCVRRESA-N 2 2 313.445 3.918 20 0 DHADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc2cccnc21 ZINC000310322675 333236685 /nfs/dbraw/zinc/23/66/85/333236685.db2.gz XPADGCYQCPMWHL-KRWDZBQOSA-N 2 2 319.452 3.845 20 0 DHADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc2cccnc21 ZINC000310322675 333236687 /nfs/dbraw/zinc/23/66/87/333236687.db2.gz XPADGCYQCPMWHL-KRWDZBQOSA-N 2 2 319.452 3.845 20 0 DHADLP C[C@@H]1[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H]1c1ccccc1 ZINC000497393582 333245357 /nfs/dbraw/zinc/24/53/57/333245357.db2.gz UZYOFBRGHNMCFD-PWIZWCRZSA-N 2 2 321.468 3.832 20 0 DHADLP CC(C)COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000120492716 333285398 /nfs/dbraw/zinc/28/53/98/333285398.db2.gz XUACDNCCURGAQM-INIZCTEOSA-N 2 2 301.434 3.659 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000390539204 333293000 /nfs/dbraw/zinc/29/30/00/333293000.db2.gz GYUCBQJLCOMIKR-HIFRSBDPSA-N 2 2 305.372 3.958 20 0 DHADLP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390553527 333298193 /nfs/dbraw/zinc/29/81/93/333298193.db2.gz FJIQLRNAMLLVQZ-FQEVSTJZSA-N 2 2 324.468 3.840 20 0 DHADLP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390553527 333298194 /nfs/dbraw/zinc/29/81/94/333298194.db2.gz FJIQLRNAMLLVQZ-FQEVSTJZSA-N 2 2 324.468 3.840 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000503072587 333313889 /nfs/dbraw/zinc/31/38/89/333313889.db2.gz BZTBACBYGXVSNR-MAUKXSAKSA-N 2 2 308.416 3.976 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000503072587 333313890 /nfs/dbraw/zinc/31/38/90/333313890.db2.gz BZTBACBYGXVSNR-MAUKXSAKSA-N 2 2 308.416 3.976 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000503072587 333313891 /nfs/dbraw/zinc/31/38/91/333313891.db2.gz BZTBACBYGXVSNR-MAUKXSAKSA-N 2 2 308.416 3.976 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000503072587 333313892 /nfs/dbraw/zinc/31/38/92/333313892.db2.gz BZTBACBYGXVSNR-MAUKXSAKSA-N 2 2 308.416 3.976 20 0 DHADLP CC(C)c1nc(NC2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000110111284 333326494 /nfs/dbraw/zinc/32/64/94/333326494.db2.gz CQLWGDNAMMPZND-UHFFFAOYSA-N 2 2 310.445 3.677 20 0 DHADLP C[C@@H](CCc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121364777 333385873 /nfs/dbraw/zinc/38/58/73/333385873.db2.gz QWXJTCOMLYSJOJ-KRWDZBQOSA-N 2 2 309.457 3.661 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H](C)c3ccc(F)cc3F)c[nH+]c12 ZINC000563283265 333520586 /nfs/dbraw/zinc/52/05/86/333520586.db2.gz XHLDSSDSRUCNIB-LBPRGKRZSA-N 2 2 301.340 3.772 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)[NH+](C)C)cc1 ZINC000531707763 333548552 /nfs/dbraw/zinc/54/85/52/333548552.db2.gz YSWFDBJTMLUDJL-IAGOWNOFSA-N 2 2 304.478 3.533 20 0 DHADLP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3c[nH+]c(C)n3C)oc21 ZINC000563639088 333644114 /nfs/dbraw/zinc/64/41/14/333644114.db2.gz ZDJMBWAULQRFKP-GFCCVEGCSA-N 2 2 313.401 3.724 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2)c1 ZINC000414121654 333906638 /nfs/dbraw/zinc/90/66/38/333906638.db2.gz HNZMFOADYPNNBP-OAQYLSRUSA-N 2 2 319.452 3.926 20 0 DHADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414350106 333946118 /nfs/dbraw/zinc/94/61/18/333946118.db2.gz LCOKSUPQRFMQKF-GOSISDBHSA-N 2 2 314.477 3.672 20 0 DHADLP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(F)(F)F ZINC000414518481 334005269 /nfs/dbraw/zinc/00/52/69/334005269.db2.gz SEZREMPCUCIFPG-JTQLQIEISA-N 2 2 303.353 3.612 20 0 DHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc(Cl)cc21 ZINC000343534280 335175878 /nfs/dbraw/zinc/17/58/78/335175878.db2.gz IOHPDQBQOCZQNM-FUHWJXTLSA-N 2 2 315.848 3.997 20 0 DHADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccc(Cl)cc21 ZINC000343534280 335175879 /nfs/dbraw/zinc/17/58/79/335175879.db2.gz IOHPDQBQOCZQNM-FUHWJXTLSA-N 2 2 315.848 3.997 20 0 DHADLP Clc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000343600308 335176106 /nfs/dbraw/zinc/17/61/06/335176106.db2.gz FSYVXSJMGNLQNB-FUHWJXTLSA-N 2 2 314.816 3.876 20 0 DHADLP Clc1ccc2c(c1)[C@H]([N@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000343600308 335176107 /nfs/dbraw/zinc/17/61/07/335176107.db2.gz FSYVXSJMGNLQNB-FUHWJXTLSA-N 2 2 314.816 3.876 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1Br ZINC000414825596 334109295 /nfs/dbraw/zinc/10/92/95/334109295.db2.gz CPZQJQYJQFIEHS-MRXNPFEDSA-N 2 2 319.246 3.547 20 0 DHADLP CCOc1c(Cl)cccc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414831310 334110191 /nfs/dbraw/zinc/11/01/91/334110191.db2.gz NCJVCQDAOUEXBC-INIZCTEOSA-N 2 2 304.821 3.528 20 0 DHADLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2ccsc2)n1)C1CCCCC1 ZINC000414830675 334110640 /nfs/dbraw/zinc/11/06/40/334110640.db2.gz BIXWNSUBNYYBIP-OAHLLOKOSA-N 2 2 321.515 3.869 20 0 DHADLP COCCCCc1ccc[nH+]c1NCCCc1c[nH+]ccc1C ZINC000291107302 334176430 /nfs/dbraw/zinc/17/64/30/334176430.db2.gz SFPFTRDFXLKESZ-UHFFFAOYSA-N 2 2 313.445 3.799 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000414951230 334207422 /nfs/dbraw/zinc/20/74/22/334207422.db2.gz HINRSAPJFLLRRB-GFCCVEGCSA-N 2 2 308.372 3.529 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CCCc2c(O)cccc21)[N@H+](C)Cc1ccccc1 ZINC000340474682 334211675 /nfs/dbraw/zinc/21/16/75/334211675.db2.gz UEAPUAJCEPUZSW-OXJNMPFZSA-N 2 2 324.468 3.880 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CCCc2c(O)cccc21)[N@@H+](C)Cc1ccccc1 ZINC000340474682 334211677 /nfs/dbraw/zinc/21/16/77/334211677.db2.gz UEAPUAJCEPUZSW-OXJNMPFZSA-N 2 2 324.468 3.880 20 0 DHADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414963178 334213548 /nfs/dbraw/zinc/21/35/48/334213548.db2.gz WRGXJXZKHHAWDW-DOMZBBRYSA-N 2 2 300.368 3.584 20 0 DHADLP c1ccc([C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000294873386 334213964 /nfs/dbraw/zinc/21/39/64/334213964.db2.gz WUTTZVMPSWLVIS-MOPGFXCFSA-N 2 2 314.473 3.515 20 0 DHADLP c1cn(-c2ccc(C[NH2+]Cc3ccc4c(c3)CCCN4)cc2)c[nH+]1 ZINC000414974790 334221979 /nfs/dbraw/zinc/22/19/79/334221979.db2.gz KRNITOHNHRQUSW-UHFFFAOYSA-N 2 2 318.424 3.520 20 0 DHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(-c3ccccc3)no2)CC1 ZINC000299544212 334256345 /nfs/dbraw/zinc/25/63/45/334256345.db2.gz JOAHTKOLPLTAEW-UHFFFAOYSA-N 2 2 313.445 3.646 20 0 DHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccccc3)no2)CC1 ZINC000299544212 334256346 /nfs/dbraw/zinc/25/63/46/334256346.db2.gz JOAHTKOLPLTAEW-UHFFFAOYSA-N 2 2 313.445 3.646 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CCCC(F)(F)F ZINC000415061322 334262044 /nfs/dbraw/zinc/26/20/44/334262044.db2.gz CJIFIIHUSLJNJL-DOMZBBRYSA-N 2 2 302.384 3.960 20 0 DHADLP c1sc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1C1CC1 ZINC000415075919 334267294 /nfs/dbraw/zinc/26/72/94/334267294.db2.gz FZDLEFAYSCQTTQ-CVEARBPZSA-N 2 2 313.470 3.603 20 0 DHADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(F)c1 ZINC000415091335 334280207 /nfs/dbraw/zinc/28/02/07/334280207.db2.gz YXRUBTOSNSHCAI-SJLPKXTDSA-N 2 2 302.368 3.548 20 0 DHADLP c1ccc2c(c1)CC[C@H]2[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000531939358 334298705 /nfs/dbraw/zinc/29/87/05/334298705.db2.gz IQFOUWZOPRQJCU-GOSISDBHSA-N 2 2 316.514 3.625 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000531974930 334340723 /nfs/dbraw/zinc/34/07/23/334340723.db2.gz BTYOQTDVZKKLHY-DLBZAZTESA-N 2 2 318.505 3.658 20 0 DHADLP Cc1[nH+]ccn1CC[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000534951441 334352257 /nfs/dbraw/zinc/35/22/57/334352257.db2.gz CYPVVXWVIWQPRC-UHFFFAOYSA-N 2 2 311.473 3.845 20 0 DHADLP COC1CCC([NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000443193250 338446722 /nfs/dbraw/zinc/44/67/22/338446722.db2.gz LLUAJPMOMXPLJS-BOMAWHNGSA-N 2 2 304.478 3.533 20 0 DHADLP CC(C)COc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000342940020 334591010 /nfs/dbraw/zinc/59/10/10/334591010.db2.gz RSYTYKNDUWCKPK-UHFFFAOYSA-N 2 2 313.445 3.824 20 0 DHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417354770 334707225 /nfs/dbraw/zinc/70/72/25/334707225.db2.gz MNZHFBOPQCXPID-CYBMUJFWSA-N 2 2 314.395 3.710 20 0 DHADLP CC1(C)CCC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000443800355 338460716 /nfs/dbraw/zinc/46/07/16/338460716.db2.gz LAQCDYKTSKORMY-MRXNPFEDSA-N 2 2 301.478 3.856 20 0 DHADLP C[C@H]([NH2+][C@H]1COCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000417409285 334863939 /nfs/dbraw/zinc/86/39/39/334863939.db2.gz VFZNNPMLPNUQMO-YWZLYKJASA-N 2 2 319.408 3.794 20 0 DHADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c[nH+]1 ZINC000343643275 335184275 /nfs/dbraw/zinc/18/42/75/335184275.db2.gz USUXNBKUEZMZIE-QLIIJSOBSA-N 2 2 316.489 3.584 20 0 DHADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c[nH+]1 ZINC000343643275 335184277 /nfs/dbraw/zinc/18/42/77/335184277.db2.gz USUXNBKUEZMZIE-QLIIJSOBSA-N 2 2 316.489 3.584 20 0 DHADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c[nH+]1 ZINC000343643272 335184523 /nfs/dbraw/zinc/18/45/23/335184523.db2.gz USUXNBKUEZMZIE-NMLACTOBSA-N 2 2 316.489 3.584 20 0 DHADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c[nH+]1 ZINC000343643272 335184524 /nfs/dbraw/zinc/18/45/24/335184524.db2.gz USUXNBKUEZMZIE-NMLACTOBSA-N 2 2 316.489 3.584 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000343787802 335193138 /nfs/dbraw/zinc/19/31/38/335193138.db2.gz GZNCFZORJGUCRC-KDOFPFPSSA-N 2 2 320.440 3.655 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343844214 335196892 /nfs/dbraw/zinc/19/68/92/335196892.db2.gz UQKMSZOPSZIIPG-JTQLQIEISA-N 2 2 309.401 3.543 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343844214 335196894 /nfs/dbraw/zinc/19/68/94/335196894.db2.gz UQKMSZOPSZIIPG-JTQLQIEISA-N 2 2 309.401 3.543 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000343830421 335200225 /nfs/dbraw/zinc/20/02/25/335200225.db2.gz GKGPFULLWUMSAS-SQGPQFPESA-N 2 2 309.457 3.876 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000343830421 335200227 /nfs/dbraw/zinc/20/02/27/335200227.db2.gz GKGPFULLWUMSAS-SQGPQFPESA-N 2 2 309.457 3.876 20 0 DHADLP CCO[C@H]1C[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000344035508 335211032 /nfs/dbraw/zinc/21/10/32/335211032.db2.gz RTKGLNNYJNSQEY-MSOLQXFVSA-N 2 2 315.461 3.528 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2cc[nH+]cc2C)C12CCCCC2 ZINC000344277098 335235647 /nfs/dbraw/zinc/23/56/47/335235647.db2.gz CDAFRTACQKKSDT-QZTJIDSGSA-N 2 2 302.462 3.650 20 0 DHADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000344316421 335240354 /nfs/dbraw/zinc/24/03/54/335240354.db2.gz ZUYUGIZIOLMCHU-YLJYHZDGSA-N 2 2 316.489 3.618 20 0 DHADLP CS[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000344368554 335245116 /nfs/dbraw/zinc/24/51/16/335245116.db2.gz VYZCNJJJRABIHY-CQSZACIVSA-N 2 2 309.504 3.801 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000344510179 335257538 /nfs/dbraw/zinc/25/75/38/335257538.db2.gz CRGGXKQLAKVSSW-CVEARBPZSA-N 2 2 310.526 3.680 20 0 DHADLP CCCOc1cccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000344512032 335257826 /nfs/dbraw/zinc/25/78/26/335257826.db2.gz JUKORPMIHQQORH-QGZVFWFLSA-N 2 2 313.445 3.648 20 0 DHADLP CC(C)c1nc(N(C)C2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000113247862 335278430 /nfs/dbraw/zinc/27/84/30/335278430.db2.gz VMHYCNVAHXPPGT-UHFFFAOYSA-N 2 2 324.472 3.701 20 0 DHADLP CCC(CC)[C@@H](CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OC ZINC000344824908 335281409 /nfs/dbraw/zinc/28/14/09/335281409.db2.gz KUYMMJGYNAWMIO-LJQANCHMSA-N 2 2 315.461 3.803 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)C3CCC(C)CC3)sc2C1 ZINC000346127202 335377022 /nfs/dbraw/zinc/37/70/22/335377022.db2.gz AQKCQDHKXPQKLT-UHFFFAOYSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)C3CCC(C)CC3)sc2C1 ZINC000346127202 335377024 /nfs/dbraw/zinc/37/70/24/335377024.db2.gz AQKCQDHKXPQKLT-UHFFFAOYSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)C3CCC(C)CC3)sc2C1 ZINC000346127202 335377026 /nfs/dbraw/zinc/37/70/26/335377026.db2.gz AQKCQDHKXPQKLT-UHFFFAOYSA-N 2 2 321.534 3.920 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)C3CCC(C)CC3)sc2C1 ZINC000346127202 335377027 /nfs/dbraw/zinc/37/70/27/335377027.db2.gz AQKCQDHKXPQKLT-UHFFFAOYSA-N 2 2 321.534 3.920 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)c2)c[nH+]1 ZINC000346180540 335378486 /nfs/dbraw/zinc/37/84/86/335378486.db2.gz TZNXYEWLVAGVOD-HZPDHXFCSA-N 2 2 319.499 3.794 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)c2)c[nH+]1 ZINC000346180540 335378488 /nfs/dbraw/zinc/37/84/88/335378488.db2.gz TZNXYEWLVAGVOD-HZPDHXFCSA-N 2 2 319.499 3.794 20 0 DHADLP FC(F)(F)[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346131597 335379673 /nfs/dbraw/zinc/37/96/73/335379673.db2.gz KNUICYKUOURMSW-NSHDSACASA-N 2 2 315.364 3.708 20 0 DHADLP FC(F)(F)[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346131597 335379675 /nfs/dbraw/zinc/37/96/75/335379675.db2.gz KNUICYKUOURMSW-NSHDSACASA-N 2 2 315.364 3.708 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H](C)CC3)sc2C1 ZINC000346145080 335381193 /nfs/dbraw/zinc/38/11/93/335381193.db2.gz GCRQLHIYWOYVHU-AWEZNQCLSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H](C)CC3)sc2C1 ZINC000346145080 335381195 /nfs/dbraw/zinc/38/11/95/335381195.db2.gz GCRQLHIYWOYVHU-AWEZNQCLSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H](C)CC3)sc2C1 ZINC000346145080 335381196 /nfs/dbraw/zinc/38/11/96/335381196.db2.gz GCRQLHIYWOYVHU-AWEZNQCLSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H](C)CC3)sc2C1 ZINC000346145080 335381198 /nfs/dbraw/zinc/38/11/98/335381198.db2.gz GCRQLHIYWOYVHU-AWEZNQCLSA-N 2 2 307.507 3.532 20 0 DHADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc2cccnc12 ZINC000346227887 335386221 /nfs/dbraw/zinc/38/62/21/335386221.db2.gz YLTWWTBLGJHCJA-UHFFFAOYSA-N 2 2 306.413 3.646 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000346191916 335388693 /nfs/dbraw/zinc/38/86/93/335388693.db2.gz WPPYTMNBVDHEFM-HNNXBMFYSA-N 2 2 324.403 3.908 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000346191916 335388694 /nfs/dbraw/zinc/38/86/94/335388694.db2.gz WPPYTMNBVDHEFM-HNNXBMFYSA-N 2 2 324.403 3.908 20 0 DHADLP C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346199097 335389216 /nfs/dbraw/zinc/38/92/16/335389216.db2.gz KYTGPGDEGXIUSA-ZDUSSCGKSA-N 2 2 313.426 3.832 20 0 DHADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346199097 335389218 /nfs/dbraw/zinc/38/92/18/335389218.db2.gz KYTGPGDEGXIUSA-ZDUSSCGKSA-N 2 2 313.426 3.832 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000346282532 335392182 /nfs/dbraw/zinc/39/21/82/335392182.db2.gz WGLOOMANNDIRFO-UHFFFAOYSA-N 2 2 310.228 3.557 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000346282532 335392183 /nfs/dbraw/zinc/39/21/83/335392183.db2.gz WGLOOMANNDIRFO-UHFFFAOYSA-N 2 2 310.228 3.557 20 0 DHADLP CCC[N@H+](CCn1cc[nH+]c1C)Cc1c(F)cccc1Cl ZINC000346270221 335396568 /nfs/dbraw/zinc/39/65/68/335396568.db2.gz CQQYFXCKYGLPPC-UHFFFAOYSA-N 2 2 309.816 3.896 20 0 DHADLP CCC[N@@H+](CCn1cc[nH+]c1C)Cc1c(F)cccc1Cl ZINC000346270221 335396569 /nfs/dbraw/zinc/39/65/69/335396569.db2.gz CQQYFXCKYGLPPC-UHFFFAOYSA-N 2 2 309.816 3.896 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000348227477 335563745 /nfs/dbraw/zinc/56/37/45/335563745.db2.gz DRXXSDXASGNRTL-UHFFFAOYSA-N 2 2 320.440 3.797 20 0 DHADLP C[C@H](CCc1ccccc1F)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348851210 335613761 /nfs/dbraw/zinc/61/37/61/335613761.db2.gz YBMYKEWRBNWMRM-OAHLLOKOSA-N 2 2 324.403 3.899 20 0 DHADLP Cc1ccsc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349356694 335666021 /nfs/dbraw/zinc/66/60/21/335666021.db2.gz WCTLGCVFFAZDRM-UHFFFAOYSA-N 2 2 303.475 3.945 20 0 DHADLP CCc1ncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000349412287 335670266 /nfs/dbraw/zinc/67/02/66/335670266.db2.gz YVAWEFJWJBOFEM-UHFFFAOYSA-N 2 2 318.490 3.594 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000192035556 336016692 /nfs/dbraw/zinc/01/66/92/336016692.db2.gz IHGFPLSCLQUCSY-VQIMIIECSA-N 2 2 310.441 3.707 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000192035556 336016694 /nfs/dbraw/zinc/01/66/94/336016694.db2.gz IHGFPLSCLQUCSY-VQIMIIECSA-N 2 2 310.441 3.707 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1cccc(O)c1 ZINC000192035407 336016705 /nfs/dbraw/zinc/01/67/05/336016705.db2.gz GMIOOQBJMYGBQG-JTDSTZFVSA-N 2 2 310.441 3.878 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cccc(O)c1 ZINC000192035407 336016707 /nfs/dbraw/zinc/01/67/07/336016707.db2.gz GMIOOQBJMYGBQG-JTDSTZFVSA-N 2 2 310.441 3.878 20 0 DHADLP COc1ccccc1[C@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000351271134 336025252 /nfs/dbraw/zinc/02/52/52/336025252.db2.gz QPHWMLBXPJTFKT-SFHVURJKSA-N 2 2 310.441 3.821 20 0 DHADLP COc1ccccc1[C@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000351271134 336025254 /nfs/dbraw/zinc/02/52/54/336025254.db2.gz QPHWMLBXPJTFKT-SFHVURJKSA-N 2 2 310.441 3.821 20 0 DHADLP Fc1cc(Cl)ccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351543079 336041961 /nfs/dbraw/zinc/04/19/61/336041961.db2.gz DQJIWRJNHRYNNM-UHFFFAOYSA-N 2 2 316.767 3.731 20 0 DHADLP Fc1cccc2[nH]c(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)cc21 ZINC000351562888 336043940 /nfs/dbraw/zinc/04/39/40/336043940.db2.gz CTNRBCGDFXVJFU-UHFFFAOYSA-N 2 2 321.359 3.559 20 0 DHADLP C[C@H](C[NH2+]C[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000526113779 336173779 /nfs/dbraw/zinc/17/37/79/336173779.db2.gz IEMAJNVJYODVQW-BEFAXECRSA-N 2 2 300.421 3.822 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000351995304 336186865 /nfs/dbraw/zinc/18/68/65/336186865.db2.gz MLYAYMXFPAUQMS-CQSZACIVSA-N 2 2 305.372 3.658 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000351995304 336186867 /nfs/dbraw/zinc/18/68/67/336186867.db2.gz MLYAYMXFPAUQMS-CQSZACIVSA-N 2 2 305.372 3.658 20 0 DHADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(Cl)c1 ZINC000352245323 336206412 /nfs/dbraw/zinc/20/64/12/336206412.db2.gz GVEPAWRDKWXXQN-LLVKDONJSA-N 2 2 309.866 3.709 20 0 DHADLP c1cn(CCC[N@H+]2[C@@H]3CC[C@H]2CC(Cc2ccccc2)C3)c[nH+]1 ZINC000352683825 336230260 /nfs/dbraw/zinc/23/02/60/336230260.db2.gz VSMJWJQQJGFGFR-IHWFROFDSA-N 2 2 309.457 3.759 20 0 DHADLP c1cn(CCC[N@@H+]2[C@@H]3CC[C@H]2CC(Cc2ccccc2)C3)c[nH+]1 ZINC000352683825 336230261 /nfs/dbraw/zinc/23/02/61/336230261.db2.gz VSMJWJQQJGFGFR-IHWFROFDSA-N 2 2 309.457 3.759 20 0 DHADLP CCc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000352754833 336235161 /nfs/dbraw/zinc/23/51/61/336235161.db2.gz KDQZXPRBRXDMKR-HNNXBMFYSA-N 2 2 306.413 3.681 20 0 DHADLP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352756744 336235234 /nfs/dbraw/zinc/23/52/34/336235234.db2.gz CTSYILLZFVQETE-CQSZACIVSA-N 2 2 303.475 3.672 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)ccc1F ZINC000352779623 336236077 /nfs/dbraw/zinc/23/60/77/336236077.db2.gz XLHAXHIJOVZPHF-GFCCVEGCSA-N 2 2 307.438 3.503 20 0 DHADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC000352789737 336236807 /nfs/dbraw/zinc/23/68/07/336236807.db2.gz PCYLXIUNSSSDIL-QGZVFWFLSA-N 2 2 310.376 3.647 20 0 DHADLP CSc1ccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)s1 ZINC000352799571 336238567 /nfs/dbraw/zinc/23/85/67/336238567.db2.gz OQMXLTQKODFMOL-UHFFFAOYSA-N 2 2 317.483 3.918 20 0 DHADLP CCC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1F ZINC000352806847 336242640 /nfs/dbraw/zinc/24/26/40/336242640.db2.gz AHNUWSBKQPGZEO-OCBCSQNSSA-N 2 2 308.416 3.878 20 0 DHADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)cc1F ZINC000352806847 336242641 /nfs/dbraw/zinc/24/26/41/336242641.db2.gz AHNUWSBKQPGZEO-OCBCSQNSSA-N 2 2 308.416 3.878 20 0 DHADLP CCC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1F ZINC000352806849 336242697 /nfs/dbraw/zinc/24/26/97/336242697.db2.gz AHNUWSBKQPGZEO-UYHISHBKSA-N 2 2 308.416 3.878 20 0 DHADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1F ZINC000352806849 336242698 /nfs/dbraw/zinc/24/26/98/336242698.db2.gz AHNUWSBKQPGZEO-UYHISHBKSA-N 2 2 308.416 3.878 20 0 DHADLP CC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000532442047 336247562 /nfs/dbraw/zinc/24/75/62/336247562.db2.gz HCYJVMADVWCJTE-PMACEKPBSA-N 2 2 316.489 3.618 20 0 DHADLP CCc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)on1 ZINC000532522002 336252002 /nfs/dbraw/zinc/25/20/02/336252002.db2.gz KQJUYERGHIXAAB-ZDUSSCGKSA-N 2 2 310.401 3.582 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532530521 336253832 /nfs/dbraw/zinc/25/38/32/336253832.db2.gz XOLLUQWOYULYFO-KBPBESRZSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532530521 336253833 /nfs/dbraw/zinc/25/38/33/336253833.db2.gz XOLLUQWOYULYFO-KBPBESRZSA-N 2 2 314.395 3.568 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000352820511 336255446 /nfs/dbraw/zinc/25/54/46/336255446.db2.gz DCJZZZYEKFLAJI-RNQWEJQRSA-N 2 2 321.371 3.566 20 0 DHADLP CSc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000352844349 336276085 /nfs/dbraw/zinc/27/60/85/336276085.db2.gz XQHRQAJVDVMZHO-UHFFFAOYSA-N 2 2 315.467 3.946 20 0 DHADLP Cc1ccc(CCC[NH2+]C2(c3ccccc3)CCOCC2)c[nH+]1 ZINC000526978704 336277704 /nfs/dbraw/zinc/27/77/04/336277704.db2.gz JQSJLQGBPRDMJB-UHFFFAOYSA-N 2 2 310.441 3.618 20 0 DHADLP CC(C)COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000352854262 336280496 /nfs/dbraw/zinc/28/04/96/336280496.db2.gz RVTCFVRPXHULBO-UHFFFAOYSA-N 2 2 313.445 3.824 20 0 DHADLP CC(C)c1nc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc[nH+]1 ZINC000301224636 336295595 /nfs/dbraw/zinc/29/55/95/336295595.db2.gz CRBAHMIDUDHRKX-QGZVFWFLSA-N 2 2 316.493 3.548 20 0 DHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000301286844 336298916 /nfs/dbraw/zinc/29/89/16/336298916.db2.gz ZPBWMYOOEOSYIG-HUUCEWRRSA-N 2 2 302.466 3.524 20 0 DHADLP CC[NH+](CC)[C@@H]1CCN(c2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000301650404 336320830 /nfs/dbraw/zinc/32/08/30/336320830.db2.gz GBUVAFQVJFKHFB-CQSZACIVSA-N 2 2 301.409 3.603 20 0 DHADLP Cc1nc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301698994 336324337 /nfs/dbraw/zinc/32/43/37/336324337.db2.gz RKFIITTURXYWMA-HNNXBMFYSA-N 2 2 324.472 3.503 20 0 DHADLP Cc1nc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301698994 336324338 /nfs/dbraw/zinc/32/43/38/336324338.db2.gz RKFIITTURXYWMA-HNNXBMFYSA-N 2 2 324.472 3.503 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cc(C)[nH+]c(C)n2)cc1 ZINC000301748225 336327376 /nfs/dbraw/zinc/32/73/76/336327376.db2.gz RTMVQVAIPDVOGI-ZDUSSCGKSA-N 2 2 307.401 3.761 20 0 DHADLP CC(C)c1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000301852298 336334135 /nfs/dbraw/zinc/33/41/35/336334135.db2.gz GJXDSZDHWSHVSC-KBPBESRZSA-N 2 2 302.466 3.761 20 0 DHADLP CC(C)c1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000301852298 336334136 /nfs/dbraw/zinc/33/41/36/336334136.db2.gz GJXDSZDHWSHVSC-KBPBESRZSA-N 2 2 302.466 3.761 20 0 DHADLP c1ccc([C@@H](C[NH+]2CCCC2)Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000301865995 336335028 /nfs/dbraw/zinc/33/50/28/336335028.db2.gz HBZWJLBUMMYJAL-GOSISDBHSA-N 2 2 306.413 3.812 20 0 DHADLP C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301882025 336335929 /nfs/dbraw/zinc/33/59/29/336335929.db2.gz MLIDQRRIVUKKIK-SUMWQHHRSA-N 2 2 319.811 3.979 20 0 DHADLP C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301882025 336335930 /nfs/dbraw/zinc/33/59/30/336335930.db2.gz MLIDQRRIVUKKIK-SUMWQHHRSA-N 2 2 319.811 3.979 20 0 DHADLP CC(C)c1nc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc[nH+]1 ZINC000302050084 336345499 /nfs/dbraw/zinc/34/54/99/336345499.db2.gz NJZRRUOUMMSBPW-HUUCEWRRSA-N 2 2 302.466 3.665 20 0 DHADLP CC(C)c1nc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc[nH+]1 ZINC000302050084 336345500 /nfs/dbraw/zinc/34/55/00/336345500.db2.gz NJZRRUOUMMSBPW-HUUCEWRRSA-N 2 2 302.466 3.665 20 0 DHADLP FC(F)(F)c1ccc2c(NCCn3cc[nH+]c3)cc[nH+]c2c1 ZINC000302117134 336349302 /nfs/dbraw/zinc/34/93/02/336349302.db2.gz DFZDXHRWSWGAOE-UHFFFAOYSA-N 2 2 306.291 3.562 20 0 DHADLP Cc1cccc(NCC2([NH+]3CCSCC3)CCCCC2)[nH+]1 ZINC000302240290 336355865 /nfs/dbraw/zinc/35/58/65/336355865.db2.gz MXELYKKETYNWGI-UHFFFAOYSA-N 2 2 305.491 3.554 20 0 DHADLP CC(C)(CC[NH+]1CCCCCC1)Nc1cc[nH+]c(C2CC2)n1 ZINC000302407635 336358389 /nfs/dbraw/zinc/35/83/89/336358389.db2.gz MBMMSIMKSPEADL-UHFFFAOYSA-N 2 2 302.466 3.811 20 0 DHADLP Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2cccc(F)c2[nH+]1 ZINC000302731981 336366959 /nfs/dbraw/zinc/36/69/59/336366959.db2.gz MTRKCTBBBQDHHN-RHSMWYFYSA-N 2 2 313.420 3.603 20 0 DHADLP Cc1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2cccc(F)c2[nH+]1 ZINC000302731981 336366960 /nfs/dbraw/zinc/36/69/60/336366960.db2.gz MTRKCTBBBQDHHN-RHSMWYFYSA-N 2 2 313.420 3.603 20 0 DHADLP CC(C)c1nc(N(C)C[C@H]2CCC[N@@H+](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302905542 336374011 /nfs/dbraw/zinc/37/40/11/336374011.db2.gz SMNWFUKUDUGTNT-HNNXBMFYSA-N 2 2 318.509 3.676 20 0 DHADLP c1ccc(C[NH+]2CCCCC2)c(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000110123895 336395777 /nfs/dbraw/zinc/39/57/77/336395777.db2.gz UQMOLLYERMKDQC-UHFFFAOYSA-N 2 2 322.456 3.952 20 0 DHADLP CC1(C2CC2)CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000356282698 336544136 /nfs/dbraw/zinc/54/41/36/336544136.db2.gz NKPFXUBOAMLNHY-UHFFFAOYSA-N 2 2 301.459 3.946 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000367319280 336639756 /nfs/dbraw/zinc/63/97/56/336639756.db2.gz URQBBIQEJLBEMO-UHFFFAOYSA-N 2 2 309.457 3.672 20 0 DHADLP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000359145684 336660017 /nfs/dbraw/zinc/66/00/17/336660017.db2.gz QNRRNOPUUKOIEB-IRXDYDNUSA-N 2 2 319.474 3.617 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCCC(F)(F)F)CCC2 ZINC000359639882 336681373 /nfs/dbraw/zinc/68/13/73/336681373.db2.gz TYGAPPJWZATQMH-YPMHNXCESA-N 2 2 303.372 3.780 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000360055059 336699557 /nfs/dbraw/zinc/69/95/57/336699557.db2.gz OJVBYNWDEUVPEO-YGRLFVJLSA-N 2 2 310.228 3.856 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000361232202 336745619 /nfs/dbraw/zinc/74/56/19/336745619.db2.gz XQTJCGCQVAZNBA-SFHVURJKSA-N 2 2 304.478 3.617 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Cl)cc1C)CCC2 ZINC000361744675 336771059 /nfs/dbraw/zinc/77/10/59/336771059.db2.gz NBCGZYRBJYMNOA-HNNXBMFYSA-N 2 2 303.837 3.821 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1c(F)cncc1F ZINC000367609914 336826522 /nfs/dbraw/zinc/82/65/22/336826522.db2.gz YMZXKLCPTQGQRP-ZDUSSCGKSA-N 2 2 323.431 3.808 20 0 DHADLP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccs3)CC2)CS1 ZINC000368460220 336845258 /nfs/dbraw/zinc/84/52/58/336845258.db2.gz AKOBCOKJWXMWSW-NVXWUHKLSA-N 2 2 324.559 3.832 20 0 DHADLP Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)c2cccc(F)c2[nH+]1 ZINC000369312662 336862295 /nfs/dbraw/zinc/86/22/95/336862295.db2.gz QZLKHNNQZVFHOV-AWEZNQCLSA-N 2 2 301.409 3.603 20 0 DHADLP FC(F)(F)c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374214801 336983859 /nfs/dbraw/zinc/98/38/59/336983859.db2.gz ZTIXMVRFGBQVOO-UHFFFAOYSA-N 2 2 309.335 3.808 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@@H](c3ncccc3C)C1)C2 ZINC000374225795 336984287 /nfs/dbraw/zinc/98/42/87/336984287.db2.gz SIIKMWRFUNAWEW-KURKYZTESA-N 2 2 324.472 3.526 20 0 DHADLP C[C@H]([NH2+][C@H]1COc2cccc(F)c21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000374713302 336995661 /nfs/dbraw/zinc/99/56/61/336995661.db2.gz FOQNINCPYGMTNH-GUYCJALGSA-N 2 2 323.371 3.796 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)no1 ZINC000375071546 337002617 /nfs/dbraw/zinc/00/26/17/337002617.db2.gz PEVSZRKIOKQMJA-APWZRJJASA-N 2 2 313.445 3.546 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000375071546 337002618 /nfs/dbraw/zinc/00/26/18/337002618.db2.gz PEVSZRKIOKQMJA-APWZRJJASA-N 2 2 313.445 3.546 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)no1 ZINC000375081286 337002867 /nfs/dbraw/zinc/00/28/67/337002867.db2.gz PTBNIDLWOSYWHP-HZPDHXFCSA-N 2 2 313.445 3.859 20 0 DHADLP Fc1cccc(C[NH+]2CCC([NH2+]C3Cc4ccccc4C3)CC2)c1 ZINC000375153256 337004614 /nfs/dbraw/zinc/00/46/14/337004614.db2.gz ONYZNQDXLGJMDX-UHFFFAOYSA-N 2 2 324.443 3.547 20 0 DHADLP CC/C=C/CC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375485660 337012008 /nfs/dbraw/zinc/01/20/08/337012008.db2.gz HITAEIZEWQKSQD-HVMMPBATSA-N 2 2 307.507 3.608 20 0 DHADLP CC/C=C/CC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375485660 337012009 /nfs/dbraw/zinc/01/20/09/337012009.db2.gz HITAEIZEWQKSQD-HVMMPBATSA-N 2 2 307.507 3.608 20 0 DHADLP c1coc(-c2ncc(C[NH2+]C3CC([NH+]4CCCCC4)C3)s2)c1 ZINC000376020712 337025392 /nfs/dbraw/zinc/02/53/92/337025392.db2.gz XCVRFACWAXLWQH-UHFFFAOYSA-N 2 2 317.458 3.510 20 0 DHADLP CCSCCC[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000376596198 337037574 /nfs/dbraw/zinc/03/75/74/337037574.db2.gz UAVBIYASLUOIFQ-UHFFFAOYSA-N 2 2 310.482 3.523 20 0 DHADLP COc1ccc2ccccc2c1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376728008 337039998 /nfs/dbraw/zinc/03/99/98/337039998.db2.gz HYAMPWRFBGTTQE-UHFFFAOYSA-N 2 2 321.424 3.671 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCS2 ZINC000377798884 337061321 /nfs/dbraw/zinc/06/13/21/337061321.db2.gz NYTOWDOYUJMNKB-DZGCQCFKSA-N 2 2 313.470 3.711 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCS2 ZINC000377798884 337061322 /nfs/dbraw/zinc/06/13/22/337061322.db2.gz NYTOWDOYUJMNKB-DZGCQCFKSA-N 2 2 313.470 3.711 20 0 DHADLP C[N@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000377904434 337063746 /nfs/dbraw/zinc/06/37/46/337063746.db2.gz FQZBPQZLUHSHSX-GOSISDBHSA-N 2 2 301.478 3.557 20 0 DHADLP C[N@@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000377904434 337063747 /nfs/dbraw/zinc/06/37/47/337063747.db2.gz FQZBPQZLUHSHSX-GOSISDBHSA-N 2 2 301.478 3.557 20 0 DHADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000377926669 337064148 /nfs/dbraw/zinc/06/41/48/337064148.db2.gz XRIZBWRKFSOPFV-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000377926669 337064149 /nfs/dbraw/zinc/06/41/49/337064149.db2.gz XRIZBWRKFSOPFV-UHFFFAOYSA-N 2 2 323.484 3.529 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCc1ccccc1F)CCC2 ZINC000378185975 337067939 /nfs/dbraw/zinc/06/79/39/337067939.db2.gz VEIQZCXAZXNOKV-YOEHRIQHSA-N 2 2 315.436 3.819 20 0 DHADLP CSC1(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CCC1 ZINC000193646626 337078904 /nfs/dbraw/zinc/07/89/04/337078904.db2.gz ZSLYCDJWBLEUAQ-UHFFFAOYSA-N 2 2 301.459 3.556 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3nc(C)sc31)CCC2 ZINC000360080606 337085099 /nfs/dbraw/zinc/08/50/99/337085099.db2.gz ZSOASVCLNFHHIA-ZIAGYGMSSA-N 2 2 316.474 3.501 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3cc(Cl)ccc31)CCC2 ZINC000360078701 337085136 /nfs/dbraw/zinc/08/51/36/337085136.db2.gz KBGUENGNIYEYJL-YOEHRIQHSA-N 2 2 315.848 3.999 20 0 DHADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CCC2 ZINC000582606314 337112902 /nfs/dbraw/zinc/11/29/02/337112902.db2.gz NUXVVJHCYXBBTG-GUYCJALGSA-N 2 2 301.459 3.661 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000173315065 337134595 /nfs/dbraw/zinc/13/45/95/337134595.db2.gz OODRDGGNQGPIFT-CQSZACIVSA-N 2 2 324.453 3.840 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000178756301 337164974 /nfs/dbraw/zinc/16/49/74/337164974.db2.gz XCNKTDNZYCKOAN-TXPKVOOTSA-N 2 2 310.441 3.706 20 0 DHADLP Cc1nsc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000582793630 337170520 /nfs/dbraw/zinc/17/05/20/337170520.db2.gz JRRWMTRIDDTMCJ-KRWDZBQOSA-N 2 2 321.534 3.704 20 0 DHADLP Cc1nsc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000582793630 337170521 /nfs/dbraw/zinc/17/05/21/337170521.db2.gz JRRWMTRIDDTMCJ-KRWDZBQOSA-N 2 2 321.534 3.704 20 0 DHADLP c1ccc2[nH+]c(NCC3CCN(c4cc[nH+]cc4)CC3)ccc2c1 ZINC000180046558 337173356 /nfs/dbraw/zinc/17/33/56/337173356.db2.gz RLAVCMZCJVVEAQ-UHFFFAOYSA-N 2 2 318.424 3.958 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+]CCC[NH+]1CCCC1 ZINC000180777039 337177936 /nfs/dbraw/zinc/17/79/36/337177936.db2.gz GEPPGXXVMUEQNB-UHFFFAOYSA-N 2 2 300.402 3.647 20 0 DHADLP CSC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000429285879 337185159 /nfs/dbraw/zinc/18/51/59/337185159.db2.gz PKKGBIORLHSQRR-MRXNPFEDSA-N 2 2 315.486 3.756 20 0 DHADLP CSC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000429285879 337185160 /nfs/dbraw/zinc/18/51/60/337185160.db2.gz PKKGBIORLHSQRR-MRXNPFEDSA-N 2 2 315.486 3.756 20 0 DHADLP Cc1nc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)oc1C ZINC000183143075 337190130 /nfs/dbraw/zinc/19/01/30/337190130.db2.gz QFTKWOLQGFQAQC-CYBMUJFWSA-N 2 2 310.401 3.636 20 0 DHADLP C[C@H](CCc1cccc(F)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000183214538 337192292 /nfs/dbraw/zinc/19/22/92/337192292.db2.gz RHCSSCPBFBNLJX-OAHLLOKOSA-N 2 2 301.409 3.680 20 0 DHADLP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000184419586 337197225 /nfs/dbraw/zinc/19/72/25/337197225.db2.gz RMHRUDULQXZLRV-SJORKVTESA-N 2 2 324.472 3.661 20 0 DHADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000583152239 337246810 /nfs/dbraw/zinc/24/68/10/337246810.db2.gz UESYJYZUQLPGMO-VXGBXAGGSA-N 2 2 321.877 3.775 20 0 DHADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000583152239 337246811 /nfs/dbraw/zinc/24/68/11/337246811.db2.gz UESYJYZUQLPGMO-VXGBXAGGSA-N 2 2 321.877 3.775 20 0 DHADLP CSc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)s1 ZINC000583175667 337254580 /nfs/dbraw/zinc/25/45/80/337254580.db2.gz XFLRITNXQQTGAK-AWEZNQCLSA-N 2 2 310.532 3.634 20 0 DHADLP CSc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)s1 ZINC000583175667 337254581 /nfs/dbraw/zinc/25/45/81/337254581.db2.gz XFLRITNXQQTGAK-AWEZNQCLSA-N 2 2 310.532 3.634 20 0 DHADLP CSc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000583175667 337254582 /nfs/dbraw/zinc/25/45/82/337254582.db2.gz XFLRITNXQQTGAK-AWEZNQCLSA-N 2 2 310.532 3.634 20 0 DHADLP CSc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000583175667 337254583 /nfs/dbraw/zinc/25/45/83/337254583.db2.gz XFLRITNXQQTGAK-AWEZNQCLSA-N 2 2 310.532 3.634 20 0 DHADLP COC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000186514245 337257313 /nfs/dbraw/zinc/25/73/13/337257313.db2.gz MDAPDIYIVVMFCJ-INIZCTEOSA-N 2 2 313.445 3.872 20 0 DHADLP CC(C)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000188707420 337274503 /nfs/dbraw/zinc/27/45/03/337274503.db2.gz ZNHDYFJLMCVXNF-WMZOPIPTSA-N 2 2 303.494 3.564 20 0 DHADLP CC(C)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000188707420 337274504 /nfs/dbraw/zinc/27/45/04/337274504.db2.gz ZNHDYFJLMCVXNF-WMZOPIPTSA-N 2 2 303.494 3.564 20 0 DHADLP Cc1ncc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000191949801 337301445 /nfs/dbraw/zinc/30/14/45/337301445.db2.gz ASSKWIQZRQPKEF-UHFFFAOYSA-N 2 2 312.442 3.578 20 0 DHADLP Cc1ncc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)s1 ZINC000191949801 337301446 /nfs/dbraw/zinc/30/14/46/337301446.db2.gz ASSKWIQZRQPKEF-UHFFFAOYSA-N 2 2 312.442 3.578 20 0 DHADLP Cc1cnccc1C[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000398058558 337305035 /nfs/dbraw/zinc/30/50/35/337305035.db2.gz ARVBQNQXPSRSEO-FQEVSTJZSA-N 2 2 311.473 3.636 20 0 DHADLP Cc1cnccc1C[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000398058558 337305036 /nfs/dbraw/zinc/30/50/36/337305036.db2.gz ARVBQNQXPSRSEO-FQEVSTJZSA-N 2 2 311.473 3.636 20 0 DHADLP [NH3+][C@@H]1CCC[C@H](CNc2[nH+]cccc2OCc2ccccc2)C1 ZINC000420272958 337498245 /nfs/dbraw/zinc/49/82/45/337498245.db2.gz DSUVFMOTJXVUIX-DLBZAZTESA-N 2 2 311.429 3.590 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCCc2c[nH+]ccc2C)cc1F ZINC000572286742 337604991 /nfs/dbraw/zinc/60/49/91/337604991.db2.gz XVIHTNBVEIDAQQ-AWEZNQCLSA-N 2 2 302.393 3.821 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)cc1F ZINC000572286743 337605038 /nfs/dbraw/zinc/60/50/38/337605038.db2.gz XVIHTNBVEIDAQQ-CQSZACIVSA-N 2 2 302.393 3.821 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCCO2)c2ccccc21 ZINC000422778078 337686133 /nfs/dbraw/zinc/68/61/33/337686133.db2.gz HEOSDEZYUUXHOD-IYWMVGAKSA-N 2 2 308.425 3.641 20 0 DHADLP COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)s2)cc1 ZINC000422825567 337688291 /nfs/dbraw/zinc/68/82/91/337688291.db2.gz PZXSSHNLZIKLRG-CXAGYDPISA-N 2 2 316.470 3.654 20 0 DHADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422896929 337690555 /nfs/dbraw/zinc/69/05/55/337690555.db2.gz AZZFBQBWPGECKT-VXGBXAGGSA-N 2 2 309.866 3.699 20 0 DHADLP Cc1sc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])nc1-c1ccc(Cl)cc1 ZINC000422937880 337692539 /nfs/dbraw/zinc/69/25/39/337692539.db2.gz DBSSYGHGBREDBV-KBPBESRZSA-N 2 2 321.877 3.741 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(-c2csc(C)n2)o1)[C@@H]1CCCC[NH2+]1 ZINC000422950258 337694349 /nfs/dbraw/zinc/69/43/49/337694349.db2.gz VOIFDALHACAVLO-CABCVRRESA-N 2 2 319.474 3.722 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(-c2csc(C)n2)o1)[C@@H]1CCCC[NH2+]1 ZINC000422950259 337694353 /nfs/dbraw/zinc/69/43/53/337694353.db2.gz VOIFDALHACAVLO-GJZGRUSLSA-N 2 2 319.474 3.722 20 0 DHADLP Cc1cc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)ccc1-c1ccccc1 ZINC000423063336 337697834 /nfs/dbraw/zinc/69/78/34/337697834.db2.gz OUEWFOOSVCBTRE-PXNSSMCTSA-N 2 2 324.468 3.519 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c2ccccc21 ZINC000423165383 337702058 /nfs/dbraw/zinc/70/20/58/337702058.db2.gz UMUNOKHTVJPPHS-KFWWJZLASA-N 2 2 318.342 3.826 20 0 DHADLP C[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000423224170 337705634 /nfs/dbraw/zinc/70/56/34/337705634.db2.gz IKXVEMZFHQNEKC-JTQLQIEISA-N 2 2 309.866 3.642 20 0 DHADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000423287198 337709636 /nfs/dbraw/zinc/70/96/36/337709636.db2.gz KURNJBUJXOPVDE-CYBMUJFWSA-N 2 2 303.475 3.978 20 0 DHADLP Cc1cc([C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2Cl)ccc1F ZINC000423300123 337711223 /nfs/dbraw/zinc/71/12/23/337711223.db2.gz DLVQMFAWDYPIDE-SFHVURJKSA-N 2 2 318.823 3.686 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1csc(-c2ccccc2F)n1 ZINC000423387057 337718001 /nfs/dbraw/zinc/71/80/01/337718001.db2.gz HJJIIUPTEVIOGM-SLEUVZQESA-N 2 2 319.449 3.598 20 0 DHADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1csc(-c2ccccc2)n1 ZINC000423509593 337723781 /nfs/dbraw/zinc/72/37/81/337723781.db2.gz RQMKTLBKWVRMRU-CJNGLKHVSA-N 2 2 315.486 3.978 20 0 DHADLP c1ccc(N2CCC(Nc3[nH+]ccc4ccccc43)CC2)[nH+]c1 ZINC000527852544 337769150 /nfs/dbraw/zinc/76/91/50/337769150.db2.gz SXTIFICXDTWPSP-UHFFFAOYSA-N 2 2 304.397 3.711 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ncccc1F ZINC000528036314 337782573 /nfs/dbraw/zinc/78/25/73/337782573.db2.gz PIJNVCJWVMQRGV-RLFYNMQTSA-N 2 2 319.468 3.914 20 0 DHADLP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000533052931 337806719 /nfs/dbraw/zinc/80/67/19/337806719.db2.gz ZNOZARQUUWDGMK-CYBMUJFWSA-N 2 2 312.404 3.811 20 0 DHADLP CCc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000428252365 338044615 /nfs/dbraw/zinc/04/46/15/338044615.db2.gz HIFYTTXXVITKKK-KRWDZBQOSA-N 2 2 319.493 3.633 20 0 DHADLP CCc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000428252365 338044616 /nfs/dbraw/zinc/04/46/16/338044616.db2.gz HIFYTTXXVITKKK-KRWDZBQOSA-N 2 2 319.493 3.633 20 0 DHADLP Fc1ccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000428463379 338053382 /nfs/dbraw/zinc/05/33/82/338053382.db2.gz PQNRQEMWDDTEPW-CYBMUJFWSA-N 2 2 307.800 3.624 20 0 DHADLP Fc1ccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000428463379 338053383 /nfs/dbraw/zinc/05/33/83/338053383.db2.gz PQNRQEMWDDTEPW-CYBMUJFWSA-N 2 2 307.800 3.624 20 0 DHADLP Cc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)c2ccccc2[nH+]1 ZINC000428678609 338058412 /nfs/dbraw/zinc/05/84/12/338058412.db2.gz IIDQJJIOSNLPKA-UHFFFAOYSA-N 2 2 306.413 3.712 20 0 DHADLP Cc1ccc(CC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000429717231 338088239 /nfs/dbraw/zinc/08/82/39/338088239.db2.gz HQRKWJHWDHPUAV-UHFFFAOYSA-N 2 2 310.441 3.784 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000430559724 338108634 /nfs/dbraw/zinc/10/86/34/338108634.db2.gz XPXYJNQCOBUVGS-CHWSQXEVSA-N 2 2 319.449 3.508 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000430559724 338108635 /nfs/dbraw/zinc/10/86/35/338108635.db2.gz XPXYJNQCOBUVGS-CHWSQXEVSA-N 2 2 319.449 3.508 20 0 DHADLP CC(C)c1ccc(-c2ncc(C[N@@H+]3CCC[NH2+]CC3)s2)cc1 ZINC000430655547 338110467 /nfs/dbraw/zinc/11/04/67/338110467.db2.gz RSGKSAPMDQXCJF-UHFFFAOYSA-N 2 2 315.486 3.729 20 0 DHADLP CC(C)c1ccc(-c2ncc(C[N@H+]3CCC[NH2+]CC3)s2)cc1 ZINC000430655547 338110468 /nfs/dbraw/zinc/11/04/68/338110468.db2.gz RSGKSAPMDQXCJF-UHFFFAOYSA-N 2 2 315.486 3.729 20 0 DHADLP Fc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1Cl ZINC000432232949 338149246 /nfs/dbraw/zinc/14/92/46/338149246.db2.gz OWTUXJYAINNHLD-JTQLQIEISA-N 2 2 317.235 3.706 20 0 DHADLP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1Cl ZINC000432232949 338149247 /nfs/dbraw/zinc/14/92/47/338149247.db2.gz OWTUXJYAINNHLD-JTQLQIEISA-N 2 2 317.235 3.706 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3s2)C[C@H]1C ZINC000432753626 338166535 /nfs/dbraw/zinc/16/65/35/338166535.db2.gz VXSNZQFDNYWXCZ-TZMCWYRMSA-N 2 2 321.465 3.740 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(F)cc3s2)C[C@H]1C ZINC000432753626 338166536 /nfs/dbraw/zinc/16/65/36/338166536.db2.gz VXSNZQFDNYWXCZ-TZMCWYRMSA-N 2 2 321.465 3.740 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(F)cc3s2)C[C@H]1C ZINC000432753626 338166537 /nfs/dbraw/zinc/16/65/37/338166537.db2.gz VXSNZQFDNYWXCZ-TZMCWYRMSA-N 2 2 321.465 3.740 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(F)cc3s2)C[C@H]1C ZINC000432753626 338166538 /nfs/dbraw/zinc/16/65/38/338166538.db2.gz VXSNZQFDNYWXCZ-TZMCWYRMSA-N 2 2 321.465 3.740 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000432754721 338166706 /nfs/dbraw/zinc/16/67/06/338166706.db2.gz NHJGZXWKBFXKAV-WDEREUQCSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)CC[N@H+]1C ZINC000432754721 338166707 /nfs/dbraw/zinc/16/67/07/338166707.db2.gz NHJGZXWKBFXKAV-WDEREUQCSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)CC[NH+]1C ZINC000432754721 338166708 /nfs/dbraw/zinc/16/67/08/338166708.db2.gz NHJGZXWKBFXKAV-WDEREUQCSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)CC[NH+]1C ZINC000432754721 338166709 /nfs/dbraw/zinc/16/67/09/338166709.db2.gz NHJGZXWKBFXKAV-WDEREUQCSA-N 2 2 306.397 3.681 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000432816111 338168761 /nfs/dbraw/zinc/16/87/61/338168761.db2.gz NBSMGVDMXHEKBH-AWEZNQCLSA-N 2 2 321.515 3.788 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000432816111 338168762 /nfs/dbraw/zinc/16/87/62/338168762.db2.gz NBSMGVDMXHEKBH-AWEZNQCLSA-N 2 2 321.515 3.788 20 0 DHADLP COC1CCC([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000152950879 338214441 /nfs/dbraw/zinc/21/44/41/338214441.db2.gz ICPAZIPDLIZYBV-SOAGJPPSSA-N 2 2 316.489 3.588 20 0 DHADLP COC1CCC([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000152950879 338214442 /nfs/dbraw/zinc/21/44/42/338214442.db2.gz ICPAZIPDLIZYBV-SOAGJPPSSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435050182 338231025 /nfs/dbraw/zinc/23/10/25/338231025.db2.gz KGAPOXPBKPTYRM-HNAYVOBHSA-N 2 2 314.404 3.695 20 0 DHADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435050182 338231026 /nfs/dbraw/zinc/23/10/26/338231026.db2.gz KGAPOXPBKPTYRM-HNAYVOBHSA-N 2 2 314.404 3.695 20 0 DHADLP CC[N@H+](Cc1nc(-c2ccccc2)oc1C)[C@H]1CCC[NH2+]CC1 ZINC000435625734 338243843 /nfs/dbraw/zinc/24/38/43/338243843.db2.gz IZPRSWQRIWJEEL-KRWDZBQOSA-N 2 2 313.445 3.614 20 0 DHADLP CC[N@@H+](Cc1nc(-c2ccccc2)oc1C)[C@H]1CCC[NH2+]CC1 ZINC000435625734 338243844 /nfs/dbraw/zinc/24/38/44/338243844.db2.gz IZPRSWQRIWJEEL-KRWDZBQOSA-N 2 2 313.445 3.614 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H]3C[C@H](c4cccc(F)c4)C3)c[nH+]c12 ZINC000435738440 338247028 /nfs/dbraw/zinc/24/70/28/338247028.db2.gz ASUAKDHUTCXGBZ-JCNLHEQBSA-N 2 2 309.388 3.818 20 0 DHADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000436249025 338263556 /nfs/dbraw/zinc/26/35/56/338263556.db2.gz CKRDYVQOHWFIJT-UHFFFAOYSA-N 2 2 306.759 3.544 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)c2ccccc12 ZINC000437100473 338300944 /nfs/dbraw/zinc/30/09/44/338300944.db2.gz UGSXXTNDHRCGNL-OAHLLOKOSA-N 2 2 312.457 3.983 20 0 DHADLP C[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000438101387 338331611 /nfs/dbraw/zinc/33/16/11/338331611.db2.gz AWNMGMUIZNTSSS-RKVPGOIHSA-N 2 2 301.409 3.709 20 0 DHADLP C[C@H](C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(F)cc1 ZINC000438101387 338331612 /nfs/dbraw/zinc/33/16/12/338331612.db2.gz AWNMGMUIZNTSSS-RKVPGOIHSA-N 2 2 301.409 3.709 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccccc3N(C)C(C)C)n2c1 ZINC000438321786 338339596 /nfs/dbraw/zinc/33/95/96/338339596.db2.gz BRKGVYIQZRSMLK-UHFFFAOYSA-N 2 2 322.456 3.777 20 0 DHADLP c1cn2c(cccc2C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)[nH+]1 ZINC000438376912 338342068 /nfs/dbraw/zinc/34/20/68/338342068.db2.gz PYQAUFZXEPKVBJ-MSOLQXFVSA-N 2 2 305.425 3.835 20 0 DHADLP CC(C)(C)c1cnc(C[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000447938195 338572069 /nfs/dbraw/zinc/57/20/69/338572069.db2.gz ZIDZLEJRXRSDQY-UHFFFAOYSA-N 2 2 307.507 3.547 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000162224830 338582871 /nfs/dbraw/zinc/58/28/71/338582871.db2.gz VKQNMXLFUYWYKW-QGZVFWFLSA-N 2 2 309.388 3.761 20 0 DHADLP Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000449059109 338589209 /nfs/dbraw/zinc/58/92/09/338589209.db2.gz AFTLPECODKDPRN-WBVHZDCISA-N 2 2 303.837 3.538 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CSC[C@@H]2C)c(C)c1 ZINC000449193938 338601281 /nfs/dbraw/zinc/60/12/81/338601281.db2.gz RWICOGICZJXISK-RYQLBKOJSA-N 2 2 315.486 3.582 20 0 DHADLP CCCc1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)o1 ZINC000449613720 338641253 /nfs/dbraw/zinc/64/12/53/338641253.db2.gz SSEHPCPKNNLODX-CRAIPNDOSA-N 2 2 319.493 3.760 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H]2CCO[C@H](c3cccs3)C2)c[nH+]1 ZINC000449630003 338642993 /nfs/dbraw/zinc/64/29/93/338642993.db2.gz UUCXWHLEFJJCFN-SJORKVTESA-N 2 2 316.470 3.894 20 0 DHADLP CCc1ccc([C@@H](C[NH2+][C@H](CC)c2ccncc2)[NH+](C)C)cc1 ZINC000453061910 338789104 /nfs/dbraw/zinc/78/91/04/338789104.db2.gz SWGUBNHGWFHIKH-WOJBJXKFSA-N 2 2 311.473 3.988 20 0 DHADLP Cc1ccccc1C[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459323485 339021748 /nfs/dbraw/zinc/02/17/48/339021748.db2.gz JFBTZRZRJPBWIO-UHFFFAOYSA-N 2 2 319.452 3.973 20 0 DHADLP Cc1ccccc1C[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000459323485 339021749 /nfs/dbraw/zinc/02/17/49/339021749.db2.gz JFBTZRZRJPBWIO-UHFFFAOYSA-N 2 2 319.452 3.973 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000459340179 339022888 /nfs/dbraw/zinc/02/28/88/339022888.db2.gz DYTUTEVPUMSGJF-NRFANRHFSA-N 2 2 317.436 3.610 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000459340179 339022889 /nfs/dbraw/zinc/02/28/89/339022889.db2.gz DYTUTEVPUMSGJF-NRFANRHFSA-N 2 2 317.436 3.610 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)no1 ZINC000459394071 339026732 /nfs/dbraw/zinc/02/67/32/339026732.db2.gz WYSDSZLCHSRXOR-UHFFFAOYSA-N 2 2 313.445 3.649 20 0 DHADLP CCN(CCC[NH2+]Cc1c[nH+]c2c(C)cccn12)c1ccccc1 ZINC000462689801 339084173 /nfs/dbraw/zinc/08/41/73/339084173.db2.gz YTIFHSXBWWNKFX-UHFFFAOYSA-N 2 2 322.456 3.649 20 0 DHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000462898629 339096746 /nfs/dbraw/zinc/09/67/46/339096746.db2.gz WFAQDMGKGBJHHN-HZPDHXFCSA-N 2 2 313.489 3.908 20 0 DHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000462898629 339096747 /nfs/dbraw/zinc/09/67/47/339096747.db2.gz WFAQDMGKGBJHHN-HZPDHXFCSA-N 2 2 313.489 3.908 20 0 DHADLP CC/C=C\CC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000466800007 339217229 /nfs/dbraw/zinc/21/72/29/339217229.db2.gz BASXBHFGZBYFDS-WAYWQWQTSA-N 2 2 301.478 3.976 20 0 DHADLP CC/C=C\CC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000466800007 339217230 /nfs/dbraw/zinc/21/72/30/339217230.db2.gz BASXBHFGZBYFDS-WAYWQWQTSA-N 2 2 301.478 3.976 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)[NH+](C)C ZINC000467305487 339230719 /nfs/dbraw/zinc/23/07/19/339230719.db2.gz LLKQJDFALDSEMK-GFCCVEGCSA-N 2 2 302.384 3.566 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000467311776 339231278 /nfs/dbraw/zinc/23/12/78/339231278.db2.gz WADNGVMHLLJHHA-MOPGFXCFSA-N 2 2 315.505 3.882 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000467355963 339233648 /nfs/dbraw/zinc/23/36/48/339233648.db2.gz QQKFPNWPJFUNEL-QWHCGFSZSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)[N@@H+](C)C1CC1 ZINC000467355963 339233649 /nfs/dbraw/zinc/23/36/49/339233649.db2.gz QQKFPNWPJFUNEL-QWHCGFSZSA-N 2 2 314.395 3.709 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000467356526 339233828 /nfs/dbraw/zinc/23/38/28/339233828.db2.gz WUERKKUWQXSQAG-BHIYHBOVSA-N 2 2 315.505 3.738 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000467356526 339233829 /nfs/dbraw/zinc/23/38/29/339233829.db2.gz WUERKKUWQXSQAG-BHIYHBOVSA-N 2 2 315.505 3.738 20 0 DHADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000468523398 339265440 /nfs/dbraw/zinc/26/54/40/339265440.db2.gz QCDHRJPYEIVQID-SGUAIBKKSA-N 2 2 304.478 3.502 20 0 DHADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000469874963 339303546 /nfs/dbraw/zinc/30/35/46/339303546.db2.gz YGJLOMOSRHPPQU-UWVGGRQHSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000469874963 339303547 /nfs/dbraw/zinc/30/35/47/339303547.db2.gz YGJLOMOSRHPPQU-UWVGGRQHSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000470353877 339317955 /nfs/dbraw/zinc/31/79/55/339317955.db2.gz KFOMLGQZGDSLOK-AITUJVMLSA-N 2 2 309.457 3.760 20 0 DHADLP Cc1cc(N2CCC(C[NH+]3CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000471054811 339335966 /nfs/dbraw/zinc/33/59/66/339335966.db2.gz CDHSFTRUZMNJTG-UHFFFAOYSA-N 2 2 316.493 3.611 20 0 DHADLP C[C@H]([NH2+]Cc1cccc2cc[nH]c21)[C@H](c1ccccc1)[NH+](C)C ZINC000472036694 339359998 /nfs/dbraw/zinc/35/99/98/339359998.db2.gz FFBFXCSPBZSJGD-MGPUTAFESA-N 2 2 307.441 3.949 20 0 DHADLP CCn1nc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c2ccccc21 ZINC000472069121 339362267 /nfs/dbraw/zinc/36/22/67/339362267.db2.gz SHGATEUSLNCKJX-SFHVURJKSA-N 2 2 316.493 3.512 20 0 DHADLP CCOc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000472068640 339362276 /nfs/dbraw/zinc/36/22/76/339362276.db2.gz FVVNHHXVDMHUNT-JXFKEZNVSA-N 2 2 312.457 3.866 20 0 DHADLP COc1c2ccccc2oc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000474059654 339399971 /nfs/dbraw/zinc/39/99/71/339399971.db2.gz PWIZLJBFYBWWKQ-UHFFFAOYSA-N 2 2 316.445 3.794 20 0 DHADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000474480568 339416977 /nfs/dbraw/zinc/41/69/77/339416977.db2.gz DUKUYXVUKGHUCG-BBWFWOEESA-N 2 2 322.518 3.680 20 0 DHADLP Fc1cccc([C@@H]2CC[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2)c1 ZINC000475560446 339455240 /nfs/dbraw/zinc/45/52/40/339455240.db2.gz UKFOUWOXNBABCD-WBVHZDCISA-N 2 2 309.388 3.899 20 0 DHADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@@H]1C ZINC000481995853 339619018 /nfs/dbraw/zinc/61/90/18/339619018.db2.gz XUHDEDCKUSUAKW-KURKYZTESA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@H]1C ZINC000481995855 339619062 /nfs/dbraw/zinc/61/90/62/339619062.db2.gz XUHDEDCKUSUAKW-SQNIBIBYSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)Cc1ccccc1 ZINC000482224112 339626541 /nfs/dbraw/zinc/62/65/41/339626541.db2.gz PBQXMSASWSMCLA-QGZVFWFLSA-N 2 2 305.425 3.841 20 0 DHADLP COC[C@H](CC(C)C)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000482949945 339648044 /nfs/dbraw/zinc/64/80/44/339648044.db2.gz USAHGKIRMMYBSV-AEFFLSMTSA-N 2 2 306.494 3.767 20 0 DHADLP Cc1cc(C)c([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1C ZINC000484498040 339688097 /nfs/dbraw/zinc/68/80/97/339688097.db2.gz GQPVICPIBBQHCT-FUHWJXTLSA-N 2 2 306.519 3.700 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CS1 ZINC000488326355 339777205 /nfs/dbraw/zinc/77/72/05/339777205.db2.gz LOHHEDDHELEFNO-RDJZCZTQSA-N 2 2 315.486 3.882 20 0 DHADLP CC(C)c1cc(N(C)[C@@H](C)C2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000498895559 340025289 /nfs/dbraw/zinc/02/52/89/340025289.db2.gz YJXKYCNAWCZHJJ-HNNXBMFYSA-N 2 2 318.509 3.890 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[N@@H+]1Cc1ccccc1 ZINC000499694834 340042941 /nfs/dbraw/zinc/04/29/41/340042941.db2.gz CFZRWWKIVFXDLA-OIISXLGYSA-N 2 2 308.416 3.817 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000499694834 340042942 /nfs/dbraw/zinc/04/29/42/340042942.db2.gz CFZRWWKIVFXDLA-OIISXLGYSA-N 2 2 308.416 3.817 20 0 DHADLP C[C@H](C[NH2+]C1(C[NH+](C)C)CCC1)c1ccc(C(F)(F)F)cc1 ZINC000501898746 340090390 /nfs/dbraw/zinc/09/03/90/340090390.db2.gz IVKCQDUBGVCJQJ-CYBMUJFWSA-N 2 2 314.395 3.883 20 0 DHADLP C([NH2+][C@@H]1CCC12CCC2)C1([NH+]2CCSCC2)CCCCC1 ZINC000502711738 340111863 /nfs/dbraw/zinc/11/18/63/340111863.db2.gz JURYVHOKWIBYTR-MRXNPFEDSA-N 2 2 308.535 3.660 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+]C[C@@H](c2ccccc2)[NH+](CC)CC)CCO1 ZINC000503576344 340131383 /nfs/dbraw/zinc/13/13/83/340131383.db2.gz OKFKVBHVUWHKTR-RLLQIKCJSA-N 2 2 318.505 3.864 20 0 DHADLP CCc1cc(OC)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000503957721 340138771 /nfs/dbraw/zinc/13/87/71/340138771.db2.gz LRAJMJLZGLEDEL-UHFFFAOYSA-N 2 2 316.489 3.708 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)ccc2OC(F)F)CC1 ZINC000506676787 340199268 /nfs/dbraw/zinc/19/92/68/340199268.db2.gz WCRDKMADKDLXOV-UHFFFAOYSA-N 2 2 312.404 3.513 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2OC(F)F)CC1 ZINC000506676787 340199269 /nfs/dbraw/zinc/19/92/69/340199269.db2.gz WCRDKMADKDLXOV-UHFFFAOYSA-N 2 2 312.404 3.513 20 0 DHADLP Cc1cccn2cc(COc3ccc(C[N@@H+](C)C4CC4)cc3)[nH+]c12 ZINC000507136605 340209344 /nfs/dbraw/zinc/20/93/44/340209344.db2.gz ZXYWNSTXSZJQFD-UHFFFAOYSA-N 2 2 321.424 3.816 20 0 DHADLP Cc1cccn2cc(COc3ccc(C[N@H+](C)C4CC4)cc3)[nH+]c12 ZINC000507136605 340209345 /nfs/dbraw/zinc/20/93/45/340209345.db2.gz ZXYWNSTXSZJQFD-UHFFFAOYSA-N 2 2 321.424 3.816 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000507467120 340221067 /nfs/dbraw/zinc/22/10/67/340221067.db2.gz DXBKTCPFNMILJR-KRWDZBQOSA-N 2 2 323.484 3.959 20 0 DHADLP C[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507475179 340221595 /nfs/dbraw/zinc/22/15/95/340221595.db2.gz ZOKFLVAFBOXQNP-UONOGXRCSA-N 2 2 306.416 3.819 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)[NH+]2CCCC2)cc1 ZINC000507508885 340223300 /nfs/dbraw/zinc/22/33/00/340223300.db2.gz KDEUZQLKMFQACZ-SXLOBPIMSA-N 2 2 316.489 3.537 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCCOC2)[NH+]2CCCC2)cc1 ZINC000507508881 340223336 /nfs/dbraw/zinc/22/33/36/340223336.db2.gz KDEUZQLKMFQACZ-RLLQIKCJSA-N 2 2 316.489 3.537 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000507515794 340223776 /nfs/dbraw/zinc/22/37/76/340223776.db2.gz VEJALHZNGGJHEQ-GFCCVEGCSA-N 2 2 314.342 3.571 20 0 DHADLP Cc1ccc([C@@H](C[NH2+]Cc2ccc(F)cc2C)[NH+](C)C)cc1 ZINC000507954226 340236482 /nfs/dbraw/zinc/23/64/82/340236482.db2.gz JIYBSSCGUMNPQY-LJQANCHMSA-N 2 2 300.421 3.835 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000301136153 340246537 /nfs/dbraw/zinc/24/65/37/340246537.db2.gz ZHLPACSUEQDQHR-FQEVSTJZSA-N 2 2 324.468 3.763 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000301136153 340246538 /nfs/dbraw/zinc/24/65/38/340246538.db2.gz ZHLPACSUEQDQHR-FQEVSTJZSA-N 2 2 324.468 3.763 20 0 DHADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)CC(F)(F)F ZINC000402799258 340265542 /nfs/dbraw/zinc/26/55/42/340265542.db2.gz WWIVKBLXZAGNEC-SQWLQELKSA-N 2 2 314.395 3.685 20 0 DHADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)CC(F)(F)F ZINC000402799258 340265543 /nfs/dbraw/zinc/26/55/43/340265543.db2.gz WWIVKBLXZAGNEC-SQWLQELKSA-N 2 2 314.395 3.685 20 0 DHADLP Cc1cc(F)ccc1C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000509604621 340274596 /nfs/dbraw/zinc/27/45/96/340274596.db2.gz VZUALELKLXKZMO-UHFFFAOYSA-N 2 2 322.493 3.585 20 0 DHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000510650534 340304972 /nfs/dbraw/zinc/30/49/72/340304972.db2.gz KGAKGUXQKQAKFU-ZDUSSCGKSA-N 2 2 316.411 3.956 20 0 DHADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)cc1 ZINC000510675549 340306094 /nfs/dbraw/zinc/30/60/94/340306094.db2.gz OUWJVBUQUKNJOJ-UXHICEINSA-N 2 2 316.464 3.958 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510728410 340308325 /nfs/dbraw/zinc/30/83/25/340308325.db2.gz AAUZUFXXDLXKNC-AWEZNQCLSA-N 2 2 304.384 3.822 20 0 DHADLP Fc1ccc2c(cc[nH+]c2N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000572515153 340325513 /nfs/dbraw/zinc/32/55/13/340325513.db2.gz OEFHBYNSNOMNIS-QGZVFWFLSA-N 2 2 313.420 3.829 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000511648785 340333690 /nfs/dbraw/zinc/33/36/90/340333690.db2.gz NROABCXPNIRKKZ-PNDQRGPWSA-N 2 2 304.865 3.658 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000511648785 340333691 /nfs/dbraw/zinc/33/36/91/340333691.db2.gz NROABCXPNIRKKZ-PNDQRGPWSA-N 2 2 304.865 3.658 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC000512211410 340352584 /nfs/dbraw/zinc/35/25/84/340352584.db2.gz JQBJFKWCBGEVOL-IAGOWNOFSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2F)C1 ZINC000512211410 340352585 /nfs/dbraw/zinc/35/25/85/340352585.db2.gz JQBJFKWCBGEVOL-IAGOWNOFSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000512211410 340352586 /nfs/dbraw/zinc/35/25/86/340352586.db2.gz JQBJFKWCBGEVOL-IAGOWNOFSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000512211410 340352587 /nfs/dbraw/zinc/35/25/87/340352587.db2.gz JQBJFKWCBGEVOL-IAGOWNOFSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000512622355 340369584 /nfs/dbraw/zinc/36/95/84/340369584.db2.gz LUMIWDYNCQBHAP-GQIGUUNPSA-N 2 2 312.457 3.604 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512869393 340381713 /nfs/dbraw/zinc/38/17/13/340381713.db2.gz RHGLXEJSLOEFFU-DZGCQCFKSA-N 2 2 312.379 3.754 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512869393 340381714 /nfs/dbraw/zinc/38/17/14/340381714.db2.gz RHGLXEJSLOEFFU-DZGCQCFKSA-N 2 2 312.379 3.754 20 0 DHADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000513032540 340389613 /nfs/dbraw/zinc/38/96/13/340389613.db2.gz RZRKTPGUQNVVQA-HNRFISLBSA-N 2 2 303.837 3.866 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)C2CCSCC2)[NH+](C)C)cc1 ZINC000187110005 340517821 /nfs/dbraw/zinc/51/78/21/340517821.db2.gz MYXHYHUXPHQOJA-MAUKXSAKSA-N 2 2 306.519 3.719 20 0 DHADLP C[C@@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C1CC(F)(F)C1 ZINC000529538633 340760720 /nfs/dbraw/zinc/76/07/20/340760720.db2.gz HTTGXRRNOAUQIO-GFCCVEGCSA-N 2 2 307.388 3.529 20 0 DHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530219605 340782928 /nfs/dbraw/zinc/78/29/28/340782928.db2.gz LYFJMHAQNDMPCG-DOMZBBRYSA-N 2 2 310.388 3.532 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1OC(F)(F)F ZINC000530219799 340782934 /nfs/dbraw/zinc/78/29/34/340782934.db2.gz MXCDLLRSNVRYCN-RISCZKNCSA-N 2 2 314.351 3.520 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000541737112 340981554 /nfs/dbraw/zinc/98/15/54/340981554.db2.gz RDOOJEUCNNAXKU-KRWDZBQOSA-N 2 2 303.837 3.984 20 0 DHADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@H]1CCCO1 ZINC000542477048 341009153 /nfs/dbraw/zinc/00/91/53/341009153.db2.gz BTPCWUYQDSHUSA-DFQSSKMNSA-N 2 2 316.489 3.617 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000130608659 341032223 /nfs/dbraw/zinc/03/22/23/341032223.db2.gz MTHWKNWSLPBZNZ-LLVKDONJSA-N 2 2 319.330 3.645 20 0 DHADLP C[N@H+](CCCc1ccccc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543393422 341041633 /nfs/dbraw/zinc/04/16/33/341041633.db2.gz CRHNHEJWFYBLRD-UHFFFAOYSA-N 2 2 311.454 3.998 20 0 DHADLP C[N@@H+](CCCc1ccccc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543393422 341041634 /nfs/dbraw/zinc/04/16/34/341041634.db2.gz CRHNHEJWFYBLRD-UHFFFAOYSA-N 2 2 311.454 3.998 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C2CCCCCC2)CC1 ZINC000543405653 341042476 /nfs/dbraw/zinc/04/24/76/341042476.db2.gz UKNJBABYFYFXDP-INIZCTEOSA-N 2 2 310.526 3.824 20 0 DHADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000543633672 341052378 /nfs/dbraw/zinc/05/23/78/341052378.db2.gz RGSIVQWUUHKSJL-BEFAXECRSA-N 2 2 302.437 3.693 20 0 DHADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000543633672 341052379 /nfs/dbraw/zinc/05/23/79/341052379.db2.gz RGSIVQWUUHKSJL-BEFAXECRSA-N 2 2 302.437 3.693 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCCCCC1 ZINC000544365708 341078245 /nfs/dbraw/zinc/07/82/45/341078245.db2.gz RRIWVFFGYVLIQT-KRWDZBQOSA-N 2 2 315.505 3.995 20 0 DHADLP CC[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000544831137 341095368 /nfs/dbraw/zinc/09/53/68/341095368.db2.gz VXUXUHCICPIMRF-HOTGVXAUSA-N 2 2 314.395 3.624 20 0 DHADLP CC[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000544831137 341095369 /nfs/dbraw/zinc/09/53/69/341095369.db2.gz VXUXUHCICPIMRF-HOTGVXAUSA-N 2 2 314.395 3.624 20 0 DHADLP Fc1cccc(CC[N@H+](CCn2cc[nH+]c2)C2CCCC2)c1 ZINC000131684364 341108179 /nfs/dbraw/zinc/10/81/79/341108179.db2.gz DBWDAMXYTPBQJJ-UHFFFAOYSA-N 2 2 301.409 3.510 20 0 DHADLP Fc1cccc(CC[N@@H+](CCn2cc[nH+]c2)C2CCCC2)c1 ZINC000131684364 341108180 /nfs/dbraw/zinc/10/81/80/341108180.db2.gz DBWDAMXYTPBQJJ-UHFFFAOYSA-N 2 2 301.409 3.510 20 0 DHADLP CC[N@H+](CCc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867791 341109761 /nfs/dbraw/zinc/10/97/61/341109761.db2.gz CAEYZKOVLGUSLY-UHFFFAOYSA-N 2 2 323.484 3.863 20 0 DHADLP CC[N@@H+](CCc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867791 341109762 /nfs/dbraw/zinc/10/97/62/341109762.db2.gz CAEYZKOVLGUSLY-UHFFFAOYSA-N 2 2 323.484 3.863 20 0 DHADLP COc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)c2ccccc12 ZINC000545151217 341110396 /nfs/dbraw/zinc/11/03/96/341110396.db2.gz FXCSUFZOFRDAIO-UHFFFAOYSA-N 2 2 310.441 3.590 20 0 DHADLP COc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c2ccccc12 ZINC000545151217 341110397 /nfs/dbraw/zinc/11/03/97/341110397.db2.gz FXCSUFZOFRDAIO-UHFFFAOYSA-N 2 2 310.441 3.590 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000546690002 341179022 /nfs/dbraw/zinc/17/90/22/341179022.db2.gz HQDAULDHSURTJK-KBPBESRZSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000546690002 341179023 /nfs/dbraw/zinc/17/90/23/341179023.db2.gz HQDAULDHSURTJK-KBPBESRZSA-N 2 2 314.395 3.568 20 0 DHADLP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000547280437 341203335 /nfs/dbraw/zinc/20/33/35/341203335.db2.gz DSXWVBVPTBMAEN-CQSZACIVSA-N 2 2 310.388 3.591 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000547280437 341203336 /nfs/dbraw/zinc/20/33/36/341203336.db2.gz DSXWVBVPTBMAEN-CQSZACIVSA-N 2 2 310.388 3.591 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000547356011 341208439 /nfs/dbraw/zinc/20/84/39/341208439.db2.gz BLEKFKODCWYJFQ-DNVCBOLYSA-N 2 2 312.457 3.667 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000547356011 341208440 /nfs/dbraw/zinc/20/84/40/341208440.db2.gz BLEKFKODCWYJFQ-DNVCBOLYSA-N 2 2 312.457 3.667 20 0 DHADLP Cc1cc(F)ccc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000076901016 341215505 /nfs/dbraw/zinc/21/55/05/341215505.db2.gz GKRGUHQXNRAQRB-UHFFFAOYSA-N 2 2 311.404 3.743 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000547842856 341237021 /nfs/dbraw/zinc/23/70/21/341237021.db2.gz LRWUVNTWEJRBRN-CQSZACIVSA-N 2 2 316.474 3.524 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000547842856 341237022 /nfs/dbraw/zinc/23/70/22/341237022.db2.gz LRWUVNTWEJRBRN-CQSZACIVSA-N 2 2 316.474 3.524 20 0 DHADLP c1ccc(SCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000078739104 341247311 /nfs/dbraw/zinc/24/73/11/341247311.db2.gz DEAVCZXVVVXHQW-UHFFFAOYSA-N 2 2 304.503 3.729 20 0 DHADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245567355 341302382 /nfs/dbraw/zinc/30/23/82/341302382.db2.gz FLKWVNZHOZYZHO-VQIMIIECSA-N 2 2 313.445 3.753 20 0 DHADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245567355 341302383 /nfs/dbraw/zinc/30/23/83/341302383.db2.gz FLKWVNZHOZYZHO-VQIMIIECSA-N 2 2 313.445 3.753 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550237852 341313094 /nfs/dbraw/zinc/31/30/94/341313094.db2.gz AODHWWPVSOUEAA-MSOLQXFVSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550237852 341313095 /nfs/dbraw/zinc/31/30/95/341313095.db2.gz AODHWWPVSOUEAA-MSOLQXFVSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550237852 341313096 /nfs/dbraw/zinc/31/30/96/341313096.db2.gz AODHWWPVSOUEAA-MSOLQXFVSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550237852 341313097 /nfs/dbraw/zinc/31/30/97/341313097.db2.gz AODHWWPVSOUEAA-MSOLQXFVSA-N 2 2 308.416 3.834 20 0 DHADLP c1c(CC[NH2+][C@H]2CCCCC23CCCC3)[nH+]c2n1CCCC2 ZINC000550622361 341319698 /nfs/dbraw/zinc/31/96/98/341319698.db2.gz LUYUAPJSHCTCPQ-KRWDZBQOSA-N 2 2 301.478 3.855 20 0 DHADLP c1ccc(N2CC[NH+](CCC[NH2+]C3CCCCCC3)CC2)cc1 ZINC000550843603 341324172 /nfs/dbraw/zinc/32/41/72/341324172.db2.gz XHSPPQCNRADQSS-UHFFFAOYSA-N 2 2 315.505 3.511 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000550921711 341326847 /nfs/dbraw/zinc/32/68/47/341326847.db2.gz YNKSUEYBAZTNOE-QFBILLFUSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000550921711 341326848 /nfs/dbraw/zinc/32/68/48/341326848.db2.gz YNKSUEYBAZTNOE-QFBILLFUSA-N 2 2 315.505 3.708 20 0 DHADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000551039435 341330022 /nfs/dbraw/zinc/33/00/22/341330022.db2.gz HXWAHJMLPMPOPC-HXUWFJFHSA-N 2 2 324.468 3.527 20 0 DHADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000551039435 341330023 /nfs/dbraw/zinc/33/00/23/341330023.db2.gz HXWAHJMLPMPOPC-HXUWFJFHSA-N 2 2 324.468 3.527 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCOC2(C)C)CCCC1)c1ccccc1 ZINC000551051438 341330169 /nfs/dbraw/zinc/33/01/69/341330169.db2.gz OLPLLOSYPBLUGR-WMZOPIPTSA-N 2 2 316.489 3.807 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000551517142 341343518 /nfs/dbraw/zinc/34/35/18/341343518.db2.gz GOYOFMLKGVDNOC-DOTOQJQBSA-N 2 2 313.445 3.728 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000551792030 341351854 /nfs/dbraw/zinc/35/18/54/341351854.db2.gz YXQGPQJAWDLQEX-WOUAJJJCSA-N 2 2 316.489 3.651 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000551792030 341351855 /nfs/dbraw/zinc/35/18/55/341351855.db2.gz YXQGPQJAWDLQEX-WOUAJJJCSA-N 2 2 316.489 3.651 20 0 DHADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000246954936 341359074 /nfs/dbraw/zinc/35/90/74/341359074.db2.gz IGNPGQQTNBVXTH-YRWFTTLQSA-N 2 2 311.473 3.888 20 0 DHADLP COc1c(C)cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1C ZINC000552059379 341365939 /nfs/dbraw/zinc/36/59/39/341365939.db2.gz HESKMIAGPRDWJF-UHFFFAOYSA-N 2 2 322.412 3.564 20 0 DHADLP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000248457588 341378377 /nfs/dbraw/zinc/37/83/77/341378377.db2.gz MLZUOPRWDKSJIH-ROUUACIJSA-N 2 2 316.489 3.525 20 0 DHADLP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000248457588 341378378 /nfs/dbraw/zinc/37/83/78/341378378.db2.gz MLZUOPRWDKSJIH-ROUUACIJSA-N 2 2 316.489 3.525 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CCOC[C@H]2C)c2cccs2)CC1 ZINC000248835003 341388141 /nfs/dbraw/zinc/38/81/41/341388141.db2.gz GNJUHXKUZQRVNX-BRWVUGGUSA-N 2 2 322.518 3.536 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC000249089660 341393657 /nfs/dbraw/zinc/39/36/57/341393657.db2.gz CUTOHSLTNFOAKI-RBSFLKMASA-N 2 2 306.416 3.818 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC000249089658 341393661 /nfs/dbraw/zinc/39/36/61/341393661.db2.gz CUTOHSLTNFOAKI-KFWWJZLASA-N 2 2 306.416 3.818 20 0 DHADLP FC(F)[C@H]1C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000554089551 341443723 /nfs/dbraw/zinc/44/37/23/341443723.db2.gz FWZRGXWFKLILFT-GJZGRUSLSA-N 2 2 314.807 3.548 20 0 DHADLP Cc1[nH+]cc(CNc2[nH+]cccc2O[C@H](C)c2ccccc2)n1C ZINC000565233723 341520917 /nfs/dbraw/zinc/52/09/17/341520917.db2.gz PCRCEZBQXJKDFF-CQSZACIVSA-N 2 2 322.412 3.876 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCc1[nH]c3ccccc3[nH+]1)CC2 ZINC000156158971 341617552 /nfs/dbraw/zinc/61/75/52/341617552.db2.gz GBIOOTNVWZHBFN-KRWDZBQOSA-N 2 2 321.424 3.781 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1ccc(Cl)cc1 ZINC000568681709 341678450 /nfs/dbraw/zinc/67/84/50/341678450.db2.gz ULLRHFVGRSZXKW-UHFFFAOYSA-N 2 2 304.821 3.645 20 0 DHADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000574624562 341763980 /nfs/dbraw/zinc/76/39/80/341763980.db2.gz KTQFGVVGZQSPKA-YLJYHZDGSA-N 2 2 309.457 3.819 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H]2CCCOCC2)[NH+](CC)CC)cc1 ZINC000577128995 341888681 /nfs/dbraw/zinc/88/86/81/341888681.db2.gz QVIMLJQXTMHUQD-PMACEKPBSA-N 2 2 318.505 3.791 20 0 DHADLP CO[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000178458591 341955024 /nfs/dbraw/zinc/95/50/24/341955024.db2.gz NIJAVLSPZRYYIJ-OXJNMPFZSA-N 2 2 321.424 3.911 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000338367234 520623819 /nfs/dbraw/zinc/62/38/19/520623819.db2.gz YUOYPRNPVGSLOO-JTQLQIEISA-N 2 2 309.401 3.544 20 0 DHADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000449087580 517611321 /nfs/dbraw/zinc/61/13/21/517611321.db2.gz GJSXTHLMPSJMRM-FQEVSTJZSA-N 2 2 315.505 3.995 20 0 DHADLP CC(C)(C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1)[NH+]1CCCCC1 ZINC000337331609 519271847 /nfs/dbraw/zinc/27/18/47/519271847.db2.gz HMKKCVWRKIOSTD-HKUYNNGSSA-N 2 2 315.505 3.962 20 0 DHADLP Cc1ccsc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328638599 534468911 /nfs/dbraw/zinc/46/89/11/534468911.db2.gz PGEMHESUNAATTI-WMZOPIPTSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1ccsc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328638599 534468915 /nfs/dbraw/zinc/46/89/15/534468915.db2.gz PGEMHESUNAATTI-WMZOPIPTSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1ccsc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328638599 534468917 /nfs/dbraw/zinc/46/89/17/534468917.db2.gz PGEMHESUNAATTI-WMZOPIPTSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1ccsc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328638599 534468922 /nfs/dbraw/zinc/46/89/22/534468922.db2.gz PGEMHESUNAATTI-WMZOPIPTSA-N 2 2 315.486 3.576 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337284163 520329047 /nfs/dbraw/zinc/32/90/47/520329047.db2.gz JJHDPBCVJXRVPN-IEBWSBKVSA-N 2 2 315.505 3.819 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337284163 520329051 /nfs/dbraw/zinc/32/90/51/520329051.db2.gz JJHDPBCVJXRVPN-IEBWSBKVSA-N 2 2 315.505 3.819 20 0 DHADLP CCC[C@H](C)[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162260343 521063207 /nfs/dbraw/zinc/06/32/07/521063207.db2.gz VVYHLZKZXKJUTJ-QFBILLFUSA-N 2 2 303.494 3.850 20 0 DHADLP COCCC1(C[N@@H+]2CCC[C@H]2[C@H]2CCC[NH+]2C)CCCCC1 ZINC000372678454 523024578 /nfs/dbraw/zinc/02/45/78/523024578.db2.gz BOMWRZNCHKVNNM-MSOLQXFVSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[N@H+]2CCC[C@H]2[C@H]2CCC[NH+]2C)CCCCC1 ZINC000372678454 523024585 /nfs/dbraw/zinc/02/45/85/523024585.db2.gz BOMWRZNCHKVNNM-MSOLQXFVSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[NH+]2CCC[C@H]2[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000372678454 523024591 /nfs/dbraw/zinc/02/45/91/523024591.db2.gz BOMWRZNCHKVNNM-MSOLQXFVSA-N 2 2 308.510 3.532 20 0 DHADLP COCCC1(C[NH+]2CCC[C@H]2[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000372678454 523024595 /nfs/dbraw/zinc/02/45/95/523024595.db2.gz BOMWRZNCHKVNNM-MSOLQXFVSA-N 2 2 308.510 3.532 20 0 DHADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000337357381 523834940 /nfs/dbraw/zinc/83/49/40/523834940.db2.gz BCRNLRINGONGGZ-DNVCBOLYSA-N 2 2 313.445 3.537 20 0 DHADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000337357381 523834949 /nfs/dbraw/zinc/83/49/49/523834949.db2.gz BCRNLRINGONGGZ-DNVCBOLYSA-N 2 2 313.445 3.537 20 0 DHADLP CO[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000154964112 523953676 /nfs/dbraw/zinc/95/36/76/523953676.db2.gz GJPFLSKXYBAYFV-RHSMWYFYSA-N 2 2 301.434 3.584 20 0 DHADLP C[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCSC2)[C@@H]1c1cccc(Cl)c1 ZINC000364853926 523981388 /nfs/dbraw/zinc/98/13/88/523981388.db2.gz SXSMNEODXPCXTM-UNEWFSDZSA-N 2 2 324.921 3.676 20 0 DHADLP C[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCSC2)[C@@H]1c1cccc(Cl)c1 ZINC000364853926 523981391 /nfs/dbraw/zinc/98/13/91/523981391.db2.gz SXSMNEODXPCXTM-UNEWFSDZSA-N 2 2 324.921 3.676 20 0 DHADLP C[C@H](CC[NH2+][C@@H](C)c1cncs1)[N@H+](C)Cc1ccccc1 ZINC000156205813 524197340 /nfs/dbraw/zinc/19/73/40/524197340.db2.gz FSNLRYSMRPRYNG-CABCVRRESA-N 2 2 303.475 3.704 20 0 DHADLP C[C@H](CC[NH2+][C@@H](C)c1cncs1)[N@@H+](C)Cc1ccccc1 ZINC000156205813 524197349 /nfs/dbraw/zinc/19/73/49/524197349.db2.gz FSNLRYSMRPRYNG-CABCVRRESA-N 2 2 303.475 3.704 20 0 DHADLP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000188026670 524208808 /nfs/dbraw/zinc/20/88/08/524208808.db2.gz OXIPPADVGOEHHB-IRXDYDNUSA-N 2 2 301.478 3.604 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156560969 524294527 /nfs/dbraw/zinc/29/45/27/524294527.db2.gz MMKCVIRUPSHXGY-LRDDRELGSA-N 2 2 307.800 3.759 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156560969 524294537 /nfs/dbraw/zinc/29/45/37/524294537.db2.gz MMKCVIRUPSHXGY-LRDDRELGSA-N 2 2 307.800 3.759 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337342292 524364469 /nfs/dbraw/zinc/36/44/69/524364469.db2.gz RCXHIHOQKNGNHT-HLNWXESRSA-N 2 2 315.505 3.960 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337342292 524364475 /nfs/dbraw/zinc/36/44/75/524364475.db2.gz RCXHIHOQKNGNHT-HLNWXESRSA-N 2 2 315.505 3.960 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000337381412 524454017 /nfs/dbraw/zinc/45/40/17/524454017.db2.gz JLKURCPJWCWHMT-HNNXBMFYSA-N 2 2 315.486 3.969 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000337381412 524454021 /nfs/dbraw/zinc/45/40/21/524454021.db2.gz JLKURCPJWCWHMT-HNNXBMFYSA-N 2 2 315.486 3.969 20 0 DHADLP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000163755694 524829438 /nfs/dbraw/zinc/82/94/38/524829438.db2.gz ABURWLQEJDJRNC-GOSISDBHSA-N 2 2 324.468 3.678 20 0 DHADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000130639869 525169993 /nfs/dbraw/zinc/16/99/93/525169993.db2.gz GHARVHFPAYUFPV-HOTGVXAUSA-N 2 2 323.440 3.667 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c(F)c1 ZINC000131162768 525316702 /nfs/dbraw/zinc/31/67/02/525316702.db2.gz GGEYBUGVDWFKCK-AWEZNQCLSA-N 2 2 308.441 3.605 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000367617053 525386363 /nfs/dbraw/zinc/38/63/63/525386363.db2.gz PPLNNMQLDOXGNR-RHSMWYFYSA-N 2 2 312.461 3.506 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1nccs1 ZINC000106249762 525461339 /nfs/dbraw/zinc/46/13/39/525461339.db2.gz SCBKSFRXIZDRGI-HNNXBMFYSA-N 2 2 315.486 3.980 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c(C)s1 ZINC000366217198 525517822 /nfs/dbraw/zinc/51/78/22/525517822.db2.gz DXWAMYRLAGHBMI-QILLFSRXSA-N 2 2 322.518 3.516 20 0 DHADLP C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155145469 525603094 /nfs/dbraw/zinc/60/30/94/525603094.db2.gz UBJYOBBMHZFUNT-YOEHRIQHSA-N 2 2 313.445 3.869 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)COC(C)C)c(C)c1 ZINC000337257176 525765184 /nfs/dbraw/zinc/76/51/84/525765184.db2.gz NUATZRYDGNFNHN-IEBWSBKVSA-N 2 2 315.461 3.644 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000267403829 526088789 /nfs/dbraw/zinc/08/87/89/526088789.db2.gz RJYXAHISUXQAIY-INIZCTEOSA-N 2 2 318.424 3.993 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000267403829 526088794 /nfs/dbraw/zinc/08/87/94/526088794.db2.gz RJYXAHISUXQAIY-INIZCTEOSA-N 2 2 318.424 3.993 20 0 DHADLP Cc1cnc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000162486395 526157223 /nfs/dbraw/zinc/15/72/23/526157223.db2.gz BIYNRQXFPPYTCL-AWEZNQCLSA-N 2 2 307.507 3.899 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000181121585 526172615 /nfs/dbraw/zinc/17/26/15/526172615.db2.gz BVWIPMHBDNGYMX-GJZGRUSLSA-N 2 2 301.434 3.695 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000181121585 526172618 /nfs/dbraw/zinc/17/26/18/526172618.db2.gz BVWIPMHBDNGYMX-GJZGRUSLSA-N 2 2 301.434 3.695 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000181121585 526172629 /nfs/dbraw/zinc/17/26/29/526172629.db2.gz BVWIPMHBDNGYMX-GJZGRUSLSA-N 2 2 301.434 3.695 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000181121585 526172636 /nfs/dbraw/zinc/17/26/36/526172636.db2.gz BVWIPMHBDNGYMX-GJZGRUSLSA-N 2 2 301.434 3.695 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267425561 526180926 /nfs/dbraw/zinc/18/09/26/526180926.db2.gz LKIVJMLQXNFXIW-STQMWFEESA-N 2 2 302.422 3.636 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267425561 526180935 /nfs/dbraw/zinc/18/09/35/526180935.db2.gz LKIVJMLQXNFXIW-STQMWFEESA-N 2 2 302.422 3.636 20 0 DHADLP Cc1cncc([C@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000364164987 526215320 /nfs/dbraw/zinc/21/53/20/526215320.db2.gz BMQNEQXJEVPOJA-HNNXBMFYSA-N 2 2 315.486 3.767 20 0 DHADLP Cc1ccc2cc(C[NH+]3CCC([N@H+]4CCC[C@@H]4C)CC3)ccc2n1 ZINC000364847364 526229506 /nfs/dbraw/zinc/22/95/06/526229506.db2.gz MWQNVFGZNGPBRQ-KRWDZBQOSA-N 2 2 323.484 3.992 20 0 DHADLP Cc1ccc2cc(C[NH+]3CCC([N@@H+]4CCC[C@@H]4C)CC3)ccc2n1 ZINC000364847364 526229509 /nfs/dbraw/zinc/22/95/09/526229509.db2.gz MWQNVFGZNGPBRQ-KRWDZBQOSA-N 2 2 323.484 3.992 20 0 DHADLP Cc1ccc2[nH]c([C@H]3CCCN(c4cc[nH+]cc4C)C3)[nH+]c2c1 ZINC000354476000 526256313 /nfs/dbraw/zinc/25/63/13/526256313.db2.gz YLXIPNNWMRFKGA-HNNXBMFYSA-N 2 2 306.413 3.959 20 0 DHADLP FC1(F)CCC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000337262468 526276492 /nfs/dbraw/zinc/27/64/92/526276492.db2.gz QYDXODSQHBAVBZ-GFCCVEGCSA-N 2 2 311.401 3.849 20 0 DHADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000338000631 526283928 /nfs/dbraw/zinc/28/39/28/526283928.db2.gz ZIOOEGDMKSIYKM-RDJZCZTQSA-N 2 2 301.409 3.880 20 0 DHADLP FCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000367601584 526286603 /nfs/dbraw/zinc/28/66/03/526286603.db2.gz ONEZPNGLLUDSMS-WBVHZDCISA-N 2 2 310.482 3.830 20 0 DHADLP Fc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000182874985 526369667 /nfs/dbraw/zinc/36/96/67/526369667.db2.gz RWYLLJYVTSJXBU-UHFFFAOYSA-N 2 2 324.403 3.683 20 0 DHADLP Fc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000182874985 526369674 /nfs/dbraw/zinc/36/96/74/526369674.db2.gz RWYLLJYVTSJXBU-UHFFFAOYSA-N 2 2 324.403 3.683 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCS2 ZINC000130333050 526374986 /nfs/dbraw/zinc/37/49/86/526374986.db2.gz YGOGTQNBUQGKOT-OWCLPIDISA-N 2 2 306.450 3.579 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCS2 ZINC000130333050 526374990 /nfs/dbraw/zinc/37/49/90/526374990.db2.gz YGOGTQNBUQGKOT-OWCLPIDISA-N 2 2 306.450 3.579 20 0 DHADLP c1c(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)[nH+]c2ccccn12 ZINC000130417764 526398340 /nfs/dbraw/zinc/39/83/40/526398340.db2.gz OROWECLOCZLUID-QZTJIDSGSA-N 2 2 305.425 3.803 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)[nH+]1 ZINC000337993584 526534303 /nfs/dbraw/zinc/53/43/03/526534303.db2.gz JXNRATYETHAGOS-RBUKOAKNSA-N 2 2 309.457 3.642 20 0 DHADLP c1cncc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCC34CCCC4)C2)c1 ZINC000365064437 526545540 /nfs/dbraw/zinc/54/55/40/526545540.db2.gz CPMRFJLEBWNRSW-MOPGFXCFSA-N 2 2 313.489 3.606 20 0 DHADLP c1cncc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCC34CCCC4)C2)c1 ZINC000365064437 526545548 /nfs/dbraw/zinc/54/55/48/526545548.db2.gz CPMRFJLEBWNRSW-MOPGFXCFSA-N 2 2 313.489 3.606 20 0 DHADLP c1[nH]cc(C2CC[NH+](CCCCCOc3ccccc3)CC2)[nH+]1 ZINC000364857670 526611776 /nfs/dbraw/zinc/61/17/76/526611776.db2.gz XXTSJYJMKAUKGP-UHFFFAOYSA-N 2 2 313.445 3.838 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000365670611 527456831 /nfs/dbraw/zinc/45/68/31/527456831.db2.gz UMVQNAKGELRAAI-CYBMUJFWSA-N 2 2 307.800 3.592 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000365670611 527456837 /nfs/dbraw/zinc/45/68/37/527456837.db2.gz UMVQNAKGELRAAI-CYBMUJFWSA-N 2 2 307.800 3.592 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000365670612 527467735 /nfs/dbraw/zinc/46/77/35/527467735.db2.gz UMVQNAKGELRAAI-ZDUSSCGKSA-N 2 2 307.800 3.592 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000365670612 527467738 /nfs/dbraw/zinc/46/77/38/527467738.db2.gz UMVQNAKGELRAAI-ZDUSSCGKSA-N 2 2 307.800 3.592 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccncc1 ZINC000272605220 535895267 /nfs/dbraw/zinc/89/52/67/535895267.db2.gz VBJHODGXZWYIII-HNNXBMFYSA-N 2 2 315.383 3.539 20 0 DHADLP COCCc1cc[nH+]c(N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000287314138 536831798 /nfs/dbraw/zinc/83/17/98/536831798.db2.gz FEDBOFSJOXXAJM-OAHLLOKOSA-N 2 2 322.412 3.629 20 0 DHADLP COc1ccc([C@H]2CCCCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000289468851 536937327 /nfs/dbraw/zinc/93/73/27/536937327.db2.gz YWEGCQQPPUXEIZ-LJQANCHMSA-N 2 2 313.445 3.589 20 0 DHADLP COc1ccc([C@H]2CCCCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000289468851 536937331 /nfs/dbraw/zinc/93/73/31/536937331.db2.gz YWEGCQQPPUXEIZ-LJQANCHMSA-N 2 2 313.445 3.589 20 0 DHADLP Cc1c[nH+]c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1C ZINC001164629302 719101992 /nfs/dbraw/zinc/10/19/92/719101992.db2.gz RTCMDSMAOQOODG-PMACEKPBSA-N 2 2 321.468 3.799 20 0 DHADLP Cc1c[nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C ZINC001164629302 719101995 /nfs/dbraw/zinc/10/19/95/719101995.db2.gz RTCMDSMAOQOODG-PMACEKPBSA-N 2 2 321.468 3.799 20 0 DHADLP Cc1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)cc(C(C)C)[nH+]1 ZINC001165047514 721965973 /nfs/dbraw/zinc/96/59/73/721965973.db2.gz USBBJOKQPBCFJD-KRWDZBQOSA-N 2 2 316.493 3.753 20 0 DHADLP FC1(F)CCCC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000293231518 1013086435 /nfs/dbraw/zinc/08/64/35/1013086435.db2.gz AWFHKFWJUOZPOL-HNNXBMFYSA-N 2 2 323.431 3.856 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C1Cc2ccccc2C1 ZINC000361698020 1032060925 /nfs/dbraw/zinc/06/09/25/1032060925.db2.gz ABYUBUHSWQWONS-UHFFFAOYSA-N 2 2 317.436 3.780 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C1Cc2ccccc2C1 ZINC000361698020 1032060936 /nfs/dbraw/zinc/06/09/36/1032060936.db2.gz ABYUBUHSWQWONS-UHFFFAOYSA-N 2 2 317.436 3.780 20 0 DHADLP C[NH+](C)Cc1ccc(-c2cccc(OCCn3cc[nH+]c3)c2)cc1 ZINC000846778955 1032063789 /nfs/dbraw/zinc/06/37/89/1032063789.db2.gz HSBASTZGYPOADB-UHFFFAOYSA-N 2 2 321.424 3.691 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180816408 1013145976 /nfs/dbraw/zinc/14/59/76/1013145976.db2.gz HINXZWLAPZLLIV-INIZCTEOSA-N 2 2 314.429 3.893 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180816408 1013145985 /nfs/dbraw/zinc/14/59/85/1013145985.db2.gz HINXZWLAPZLLIV-INIZCTEOSA-N 2 2 314.429 3.893 20 0 DHADLP CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155363857 1013385003 /nfs/dbraw/zinc/38/50/03/1013385003.db2.gz AUNZDOLIHYMOID-INIZCTEOSA-N 2 2 315.461 3.712 20 0 DHADLP CC(C)CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C ZINC000655715543 1013659597 /nfs/dbraw/zinc/65/95/97/1013659597.db2.gz LOQBNKMEVMZSSE-ROUUACIJSA-N 2 2 310.526 3.680 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CS1 ZINC000655717743 1013663036 /nfs/dbraw/zinc/66/30/36/1013663036.db2.gz IKLDJCLAAYLLPE-OIISXLGYSA-N 2 2 315.486 3.578 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)cc1 ZINC000655847889 1013774238 /nfs/dbraw/zinc/77/42/38/1013774238.db2.gz FDNDJPDXDYNDDU-DBVUQKKJSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)cc1 ZINC000655847889 1013774244 /nfs/dbraw/zinc/77/42/44/1013774244.db2.gz FDNDJPDXDYNDDU-DBVUQKKJSA-N 2 2 324.472 3.540 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000655848464 1013774434 /nfs/dbraw/zinc/77/44/34/1013774434.db2.gz FNOAMQLWYCGMER-MDNKFWRPSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000655848464 1013774439 /nfs/dbraw/zinc/77/44/39/1013774439.db2.gz FNOAMQLWYCGMER-MDNKFWRPSA-N 2 2 313.489 3.714 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCCO1 ZINC000655850632 1013779043 /nfs/dbraw/zinc/77/90/43/1013779043.db2.gz XZUNPJRIDDTKST-ZYSHUDEJSA-N 2 2 313.445 3.871 20 0 DHADLP Cc1ncsc1C[N@@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001206991317 1013780267 /nfs/dbraw/zinc/78/02/67/1013780267.db2.gz IHQZEANIOMJIHU-UHFFFAOYSA-N 2 2 307.507 3.680 20 0 DHADLP Cc1ncsc1C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001206991317 1013780271 /nfs/dbraw/zinc/78/02/71/1013780271.db2.gz IHQZEANIOMJIHU-UHFFFAOYSA-N 2 2 307.507 3.680 20 0 DHADLP Cc1nc2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2s1 ZINC000655856737 1013787656 /nfs/dbraw/zinc/78/76/56/1013787656.db2.gz OYYSQNQCNXNQPH-NVXWUHKLSA-N 2 2 315.486 3.711 20 0 DHADLP Cc1nc2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2s1 ZINC000655856737 1013787664 /nfs/dbraw/zinc/78/76/64/1013787664.db2.gz OYYSQNQCNXNQPH-NVXWUHKLSA-N 2 2 315.486 3.711 20 0 DHADLP Cc1cc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)ccc1Oc1ccccc1 ZINC001210517979 1013904456 /nfs/dbraw/zinc/90/44/56/1013904456.db2.gz CITWGZXVWGSWKD-KRWDZBQOSA-N 2 2 310.441 3.971 20 0 DHADLP Cc1cc(C[N@H+]2CC[NH2+][C@@H](C)CC2)ccc1Oc1ccccc1 ZINC001210517979 1013904461 /nfs/dbraw/zinc/90/44/61/1013904461.db2.gz CITWGZXVWGSWKD-KRWDZBQOSA-N 2 2 310.441 3.971 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251040457 1013910006 /nfs/dbraw/zinc/91/00/06/1013910006.db2.gz CIKGSJGJVUJADH-TUKIKUTGSA-N 2 2 311.267 3.569 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251040457 1013910011 /nfs/dbraw/zinc/91/00/11/1013910011.db2.gz CIKGSJGJVUJADH-TUKIKUTGSA-N 2 2 311.267 3.569 20 0 DHADLP CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000013734453 1014132996 /nfs/dbraw/zinc/13/29/96/1014132996.db2.gz JKAQUEASIWWBQV-UHFFFAOYSA-N 2 2 319.276 3.824 20 0 DHADLP Clc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441467884 1014180171 /nfs/dbraw/zinc/18/01/71/1014180171.db2.gz VYZMCIWOYCVDKA-INIZCTEOSA-N 2 2 322.880 3.527 20 0 DHADLP Clc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441467884 1014180177 /nfs/dbraw/zinc/18/01/77/1014180177.db2.gz VYZMCIWOYCVDKA-INIZCTEOSA-N 2 2 322.880 3.527 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CC3CCC2CC3)CC1 ZINC000580647397 1014263715 /nfs/dbraw/zinc/26/37/15/1014263715.db2.gz WYSDQDIESLHPRP-NRXISQOPSA-N 2 2 318.427 3.819 20 0 DHADLP COCCC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CCCCC1 ZINC000623728714 1014268293 /nfs/dbraw/zinc/26/82/93/1014268293.db2.gz YAWSCRQYOIMDGG-SFHVURJKSA-N 2 2 308.510 3.580 20 0 DHADLP COCCC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC000623728714 1014268304 /nfs/dbraw/zinc/26/83/04/1014268304.db2.gz YAWSCRQYOIMDGG-SFHVURJKSA-N 2 2 308.510 3.580 20 0 DHADLP COc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000579487380 1014337451 /nfs/dbraw/zinc/33/74/51/1014337451.db2.gz HGODDMPQYCVQEM-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP COc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000579487380 1014337459 /nfs/dbraw/zinc/33/74/59/1014337459.db2.gz HGODDMPQYCVQEM-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP Clc1c2ccccc2sc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261710586 1014395804 /nfs/dbraw/zinc/39/58/04/1014395804.db2.gz JMGAJZRDRLAUOU-INIZCTEOSA-N 2 2 306.862 3.740 20 0 DHADLP Clc1c2ccccc2sc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261710586 1014395814 /nfs/dbraw/zinc/39/58/14/1014395814.db2.gz JMGAJZRDRLAUOU-INIZCTEOSA-N 2 2 306.862 3.740 20 0 DHADLP Cc1nocc1C[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007000 1014426138 /nfs/dbraw/zinc/42/61/38/1014426138.db2.gz QEEGFFKRVHINBQ-GJZGRUSLSA-N 2 2 313.445 3.514 20 0 DHADLP CO[C@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895116835 1014449619 /nfs/dbraw/zinc/44/96/19/1014449619.db2.gz URQVPRQSFQJMCJ-XSLAGTTESA-N 2 2 317.477 3.506 20 0 DHADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000581019343 1014518289 /nfs/dbraw/zinc/51/82/89/1014518289.db2.gz CBIUBAGXEJLSQQ-KRWDZBQOSA-N 2 2 324.896 3.616 20 0 DHADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)F)cc1 ZINC000427841740 1014537023 /nfs/dbraw/zinc/53/70/23/1014537023.db2.gz IULYMFOMIPAOMK-ZFWWWQNUSA-N 2 2 321.371 3.540 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCC[C@H]1CCc1ccccc1)CC2 ZINC000427853125 1014540161 /nfs/dbraw/zinc/54/01/61/1014540161.db2.gz HEVZSNSDATUOFP-OTWHNJEPSA-N 2 2 309.457 3.589 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccccc2)o1 ZINC000427888184 1014546814 /nfs/dbraw/zinc/54/68/14/1014546814.db2.gz VZDPKTHXRTWNQC-GDBMZVCRSA-N 2 2 307.397 3.809 20 0 DHADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253903 1014567616 /nfs/dbraw/zinc/56/76/16/1014567616.db2.gz CGYNEILMQCYGFQ-KCPJHIHWSA-N 2 2 318.358 3.592 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)C(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168011345 1014579160 /nfs/dbraw/zinc/57/91/60/1014579160.db2.gz NRLLBRPVMGPOHV-ALXJQNPVSA-N 2 2 316.489 3.633 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011345 1014579168 /nfs/dbraw/zinc/57/91/68/1014579168.db2.gz NRLLBRPVMGPOHV-ALXJQNPVSA-N 2 2 316.489 3.633 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)[nH+]c2c1 ZINC000428156761 1014586187 /nfs/dbraw/zinc/58/61/87/1014586187.db2.gz NUOMOMOFIYDOJP-LPHOPBHVSA-N 2 2 309.457 3.772 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)[nH+]c2c1 ZINC000428156761 1014586198 /nfs/dbraw/zinc/58/61/98/1014586198.db2.gz NUOMOMOFIYDOJP-LPHOPBHVSA-N 2 2 309.457 3.772 20 0 DHADLP C[N@H+](Cc1cnc(C2CCCCC2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000520811760 1014592421 /nfs/dbraw/zinc/59/24/21/1014592421.db2.gz SXOWJMAMGXASLB-XYPWUTKMSA-N 2 2 319.518 3.906 20 0 DHADLP C[N@@H+](Cc1cnc(C2CCCCC2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000520811760 1014592432 /nfs/dbraw/zinc/59/24/32/1014592432.db2.gz SXOWJMAMGXASLB-XYPWUTKMSA-N 2 2 319.518 3.906 20 0 DHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1Cl ZINC000665279846 1014661736 /nfs/dbraw/zinc/66/17/36/1014661736.db2.gz NMNAIEDCVCRIAM-SFYCDEOASA-N 2 2 308.853 3.530 20 0 DHADLP FC(F)(F)c1ccc([C@@H]2CC[C@@H]([NH2+]CCn3cc[nH+]c3)C2)cc1 ZINC000442636323 1014707687 /nfs/dbraw/zinc/70/76/87/1014707687.db2.gz SNIJNMJKJOUXGU-GDBMZVCRSA-N 2 2 323.362 3.828 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514470 1014718348 /nfs/dbraw/zinc/71/83/48/1014718348.db2.gz ZWMDGZMTAHYXFW-QAPCUYQASA-N 2 2 314.429 3.844 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514470 1014718355 /nfs/dbraw/zinc/71/83/55/1014718355.db2.gz ZWMDGZMTAHYXFW-QAPCUYQASA-N 2 2 314.429 3.844 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514470 1014718359 /nfs/dbraw/zinc/71/83/59/1014718359.db2.gz ZWMDGZMTAHYXFW-QAPCUYQASA-N 2 2 314.429 3.844 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514470 1014718364 /nfs/dbraw/zinc/71/83/64/1014718364.db2.gz ZWMDGZMTAHYXFW-QAPCUYQASA-N 2 2 314.429 3.844 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)CCCS2 ZINC000581349871 1014726967 /nfs/dbraw/zinc/72/69/67/1014726967.db2.gz YCMKTYJYXMPFFI-RHSMWYFYSA-N 2 2 320.502 3.554 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)CCCS2 ZINC000581349871 1014726974 /nfs/dbraw/zinc/72/69/74/1014726974.db2.gz YCMKTYJYXMPFFI-RHSMWYFYSA-N 2 2 320.502 3.554 20 0 DHADLP C[C@H](CC[NH2+][C@@H]1CCc2c1nccc2Cl)[NH+]1CCCCC1 ZINC000926144424 1014781380 /nfs/dbraw/zinc/78/13/80/1014781380.db2.gz PULILXSJOOCDBH-CZUORRHYSA-N 2 2 307.869 3.576 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccccc2)s1 ZINC000341114995 1014917447 /nfs/dbraw/zinc/91/74/47/1014917447.db2.gz CWEZNPUEHJXNOO-UHFFFAOYSA-N 2 2 312.442 3.529 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2ccccc2)s1 ZINC000341114995 1014917453 /nfs/dbraw/zinc/91/74/53/1014917453.db2.gz CWEZNPUEHJXNOO-UHFFFAOYSA-N 2 2 312.442 3.529 20 0 DHADLP C[NH+](C)C1(C)CC[NH+](Cc2ccc3ccc(Cl)cc3n2)CC1 ZINC000931355502 1032106453 /nfs/dbraw/zinc/10/64/53/1032106453.db2.gz SPMYZOUFPMIAEE-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP COc1ccc(C(C)C)cc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931356432 1032107455 /nfs/dbraw/zinc/10/74/55/1032107455.db2.gz XANAJZUEAIDWSP-UHFFFAOYSA-N 2 2 304.478 3.735 20 0 DHADLP CC1(C)C[C@H]([NH2+]CCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000090187997 1015023931 /nfs/dbraw/zinc/02/39/31/1015023931.db2.gz JQIKGCUTIVIYPR-AWEZNQCLSA-N 2 2 300.368 3.582 20 0 DHADLP CC1(C)C[C@H]([NH2+]CCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000090187997 1015023937 /nfs/dbraw/zinc/02/39/37/1015023937.db2.gz JQIKGCUTIVIYPR-AWEZNQCLSA-N 2 2 300.368 3.582 20 0 DHADLP C[C@H]1CCC[C@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000114851170 1015297644 /nfs/dbraw/zinc/29/76/44/1015297644.db2.gz IMGMQCRLENMSJC-DLBZAZTESA-N 2 2 301.478 3.856 20 0 DHADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000424369923 1032115395 /nfs/dbraw/zinc/11/53/95/1032115395.db2.gz RYVNVBWZPIZUBS-HNNXBMFYSA-N 2 2 321.534 3.575 20 0 DHADLP Cc1cc(NCC(C)(C)[NH2+][C@H](C)c2ccccc2)nc(C2CC2)[nH+]1 ZINC000341501596 1015426671 /nfs/dbraw/zinc/42/66/71/1015426671.db2.gz ORGOCWWLNQVIES-OAHLLOKOSA-N 2 2 324.472 4.204 20 0 DHADLP Cc1ccc2cc[nH+]c(N3CCC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC000581881557 1015428515 /nfs/dbraw/zinc/42/85/15/1015428515.db2.gz VLZXMONTFRICJM-SFHVURJKSA-N 2 2 309.457 3.998 20 0 DHADLP c1cc2cccc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)c2[nH]1 ZINC000896197316 1015496894 /nfs/dbraw/zinc/49/68/94/1015496894.db2.gz AHPILEOIUVYJTN-UHFFFAOYSA-N 2 2 306.413 3.639 20 0 DHADLP c1cc2c(cccc2C[NH+]2CCC(Nc3cccc[nH+]3)CC2)[nH]1 ZINC000896197779 1015497149 /nfs/dbraw/zinc/49/71/49/1015497149.db2.gz HIXXAAFNGXNTMI-UHFFFAOYSA-N 2 2 306.413 3.639 20 0 DHADLP C[C@@H]([NH2+]Cc1nc(C[NH+](C)C)cs1)[C@@H]1CC2CCC1CC2 ZINC000896312060 1015546730 /nfs/dbraw/zinc/54/67/30/1015546730.db2.gz ZMEXBMHPDFATJB-WOICTCIZSA-N 2 2 307.507 3.509 20 0 DHADLP COc1c(C)c[nH+]c(CN(C)c2cc[nH+]c3c(O)cccc23)c1C ZINC000684572319 1015768429 /nfs/dbraw/zinc/76/84/29/1015768429.db2.gz WCXWJOVPKHQOIY-UHFFFAOYSA-N 2 2 323.396 3.597 20 0 DHADLP c1ccc(NCCCC[NH2+][C@@H](c2cccnc2)C2CCC2)[nH+]c1 ZINC000280885920 1015804906 /nfs/dbraw/zinc/80/49/06/1015804906.db2.gz OQEFIRRYAWOVDI-LJQANCHMSA-N 2 2 310.445 3.800 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000361852777 1032129025 /nfs/dbraw/zinc/12/90/25/1032129025.db2.gz XSEUUCGPTBGJGR-UHFFFAOYSA-N 2 2 313.445 3.570 20 0 DHADLP CC[C@@H](CSC)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361860317 1032132302 /nfs/dbraw/zinc/13/23/02/1032132302.db2.gz LKQLXWGMGSREHF-INIZCTEOSA-N 2 2 303.475 3.754 20 0 DHADLP CC[C@@H](CSC)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361860317 1032132305 /nfs/dbraw/zinc/13/23/05/1032132305.db2.gz LKQLXWGMGSREHF-INIZCTEOSA-N 2 2 303.475 3.754 20 0 DHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(C4CCCCC4)n3)C[C@@H]21 ZINC000342092729 1015951526 /nfs/dbraw/zinc/95/15/26/1015951526.db2.gz VWODUAWKRPXMLG-HYVNUMGLSA-N 2 2 319.518 3.750 20 0 DHADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(C4CCCCC4)n3)C[C@@H]21 ZINC000342092729 1015951540 /nfs/dbraw/zinc/95/15/40/1015951540.db2.gz VWODUAWKRPXMLG-HYVNUMGLSA-N 2 2 319.518 3.750 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1oc3ccccc3c1C)C2 ZINC000150974777 1016002194 /nfs/dbraw/zinc/00/21/94/1016002194.db2.gz JHJLPMFJWWKTTH-LSDHHAIUSA-N 2 2 309.413 3.912 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151160407 1016026058 /nfs/dbraw/zinc/02/60/58/1016026058.db2.gz ZINNWEXCPBONLZ-CQSZACIVSA-N 2 2 310.228 3.857 20 0 DHADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151326576 1016035795 /nfs/dbraw/zinc/03/57/95/1016035795.db2.gz NHWQSTFQBGKBHA-HRAATJIYSA-N 2 2 317.436 3.955 20 0 DHADLP CCC[NH+]1CCC([NH2+]C[C@H](c2ccsc2)N(CC)CC)CC1 ZINC000154005329 1016099643 /nfs/dbraw/zinc/09/96/43/1016099643.db2.gz GUAVGGTZNKACRO-GOSISDBHSA-N 2 2 323.550 3.595 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000533151945 1032139977 /nfs/dbraw/zinc/13/99/77/1032139977.db2.gz XPTPEGNPPKDBHO-INIZCTEOSA-N 2 2 318.509 3.892 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000533151945 1032139988 /nfs/dbraw/zinc/13/99/88/1032139988.db2.gz XPTPEGNPPKDBHO-INIZCTEOSA-N 2 2 318.509 3.892 20 0 DHADLP CO[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C1CCCC1 ZINC000660246241 1016465389 /nfs/dbraw/zinc/46/53/89/1016465389.db2.gz ZBSRFKJVASLGII-LJQANCHMSA-N 2 2 319.493 3.581 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443991939 1016571742 /nfs/dbraw/zinc/57/17/42/1016571742.db2.gz XIQOQPIWVISYDT-NSHDSACASA-N 2 2 321.412 3.516 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443991939 1016571756 /nfs/dbraw/zinc/57/17/56/1016571756.db2.gz XIQOQPIWVISYDT-NSHDSACASA-N 2 2 321.412 3.516 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000444013355 1016578828 /nfs/dbraw/zinc/57/88/28/1016578828.db2.gz FELXEFCKKCTUMZ-KBPBESRZSA-N 2 2 306.416 3.819 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000444013355 1016578840 /nfs/dbraw/zinc/57/88/40/1016578840.db2.gz FELXEFCKKCTUMZ-KBPBESRZSA-N 2 2 306.416 3.819 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657414062 1016683726 /nfs/dbraw/zinc/68/37/26/1016683726.db2.gz UEYUQMSXBJJCSY-CYBMUJFWSA-N 2 2 314.395 3.562 20 0 DHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657414062 1016683734 /nfs/dbraw/zinc/68/37/34/1016683734.db2.gz UEYUQMSXBJJCSY-CYBMUJFWSA-N 2 2 314.395 3.562 20 0 DHADLP CO[C@@H](c1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1)[C@@H](C)[NH3+] ZINC000629741910 1016688332 /nfs/dbraw/zinc/68/83/32/1016688332.db2.gz HLIKSOARJILYBZ-FOIQADDNSA-N 2 2 321.424 3.633 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc2cccnc21 ZINC000342537126 1016710274 /nfs/dbraw/zinc/71/02/74/1016710274.db2.gz ZAZICWBMKSKSQG-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc2cccnc21 ZINC000342537126 1016710286 /nfs/dbraw/zinc/71/02/86/1016710286.db2.gz ZAZICWBMKSKSQG-UHFFFAOYSA-N 2 2 314.820 3.607 20 0 DHADLP c1csc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281948316 1016827907 /nfs/dbraw/zinc/82/79/07/1016827907.db2.gz FKCVNNPAQPKSNJ-AWEZNQCLSA-N 2 2 301.459 3.661 20 0 DHADLP c1csc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281948316 1016827922 /nfs/dbraw/zinc/82/79/22/1016827922.db2.gz FKCVNNPAQPKSNJ-AWEZNQCLSA-N 2 2 301.459 3.661 20 0 DHADLP Cc1cccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000342609292 1016845129 /nfs/dbraw/zinc/84/51/29/1016845129.db2.gz UZUDUDPEFUJUPG-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000342609292 1016845139 /nfs/dbraw/zinc/84/51/39/1016845139.db2.gz UZUDUDPEFUJUPG-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000342609292 1016845149 /nfs/dbraw/zinc/84/51/49/1016845149.db2.gz UZUDUDPEFUJUPG-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000342609292 1016845163 /nfs/dbraw/zinc/84/51/63/1016845163.db2.gz UZUDUDPEFUJUPG-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2C)o1 ZINC000342605436 1016847945 /nfs/dbraw/zinc/84/79/45/1016847945.db2.gz HDCBOLVYEGPWCJ-KRWDZBQOSA-N 2 2 301.434 3.964 20 0 DHADLP CCc1ccc([C@@H]2CCCCC[N@H+]2CCn2cc[nH+]c2C)o1 ZINC000342605436 1016847966 /nfs/dbraw/zinc/84/79/66/1016847966.db2.gz HDCBOLVYEGPWCJ-KRWDZBQOSA-N 2 2 301.434 3.964 20 0 DHADLP Fc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281981732 1016852314 /nfs/dbraw/zinc/85/23/14/1016852314.db2.gz HRBYNOKPXSSFAU-INIZCTEOSA-N 2 2 313.420 3.738 20 0 DHADLP Fc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281981732 1016852331 /nfs/dbraw/zinc/85/23/31/1016852331.db2.gz HRBYNOKPXSSFAU-INIZCTEOSA-N 2 2 313.420 3.738 20 0 DHADLP C[C@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(C)(C)C ZINC000670268381 1017001085 /nfs/dbraw/zinc/00/10/85/1017001085.db2.gz ZTOQKACTJQJZJS-CVEARBPZSA-N 2 2 303.494 3.879 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC1(C)C ZINC000623378958 1017003475 /nfs/dbraw/zinc/00/34/75/1017003475.db2.gz ZRWQMPWIZVCNEG-RTBURBONSA-N 2 2 309.457 3.633 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccncc2)CC1(C)C ZINC000623378958 1017003481 /nfs/dbraw/zinc/00/34/81/1017003481.db2.gz ZRWQMPWIZVCNEG-RTBURBONSA-N 2 2 309.457 3.633 20 0 DHADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000262436793 1017006835 /nfs/dbraw/zinc/00/68/35/1017006835.db2.gz GKVDRYDGUVSVSC-IAOVAPTHSA-N 2 2 322.880 3.749 20 0 DHADLP CCOc1ccccc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152812622 1017023362 /nfs/dbraw/zinc/02/33/62/1017023362.db2.gz SYJRILGVXCZBOR-OAHLLOKOSA-N 2 2 313.445 3.511 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000361946655 1032168327 /nfs/dbraw/zinc/16/83/27/1032168327.db2.gz UXBKLJSGSDPQFC-GFCCVEGCSA-N 2 2 310.228 3.716 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000361946655 1032168340 /nfs/dbraw/zinc/16/83/40/1032168340.db2.gz UXBKLJSGSDPQFC-GFCCVEGCSA-N 2 2 310.228 3.716 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([N@@H+]2Cc3cccc(Br)c3C2)CC[NH2+]1 ZINC001246794359 1032204666 /nfs/dbraw/zinc/20/46/66/1032204666.db2.gz DXGMVVAXSNRSDQ-BBRMVZONSA-N 2 2 323.278 3.541 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([N@H+]2Cc3cccc(Br)c3C2)CC[NH2+]1 ZINC001246794359 1032204685 /nfs/dbraw/zinc/20/46/85/1032204685.db2.gz DXGMVVAXSNRSDQ-BBRMVZONSA-N 2 2 323.278 3.541 20 0 DHADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192838529 1017073018 /nfs/dbraw/zinc/07/30/18/1017073018.db2.gz CVNGLGACVSQUDK-UHFFFAOYSA-N 2 2 304.437 3.973 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(Cl)ccc1O ZINC000185659495 1017078183 /nfs/dbraw/zinc/07/81/83/1017078183.db2.gz VEALBIMSMRLPKQ-GFCCVEGCSA-N 2 2 305.809 3.593 20 0 DHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CC=CCC1 ZINC000537618538 1032290751 /nfs/dbraw/zinc/29/07/51/1032290751.db2.gz BMYJREXBIZBPGK-GOSISDBHSA-N 2 2 313.489 3.976 20 0 DHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CC=CCC1 ZINC000537618538 1032290762 /nfs/dbraw/zinc/29/07/62/1032290762.db2.gz BMYJREXBIZBPGK-GOSISDBHSA-N 2 2 313.489 3.976 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@H+](C)[C@H]1CCCC[NH2+]C1 ZINC001247005185 1032357877 /nfs/dbraw/zinc/35/78/77/1032357877.db2.gz VIVXHGFDPVKZFR-DOMZBBRYSA-N 2 2 311.267 3.584 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@@H+](C)[C@H]1CCCC[NH2+]C1 ZINC001247005185 1032357899 /nfs/dbraw/zinc/35/78/99/1032357899.db2.gz VIVXHGFDPVKZFR-DOMZBBRYSA-N 2 2 311.267 3.584 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@H+](C)[C@@H]1CCCC[NH2+]C1 ZINC001247005215 1032357979 /nfs/dbraw/zinc/35/79/79/1032357979.db2.gz VIVXHGFDPVKZFR-IUODEOHRSA-N 2 2 311.267 3.584 20 0 DHADLP C[C@H](c1cccc(Br)c1)[N@@H+](C)[C@@H]1CCCC[NH2+]C1 ZINC001247005215 1032357992 /nfs/dbraw/zinc/35/79/92/1032357992.db2.gz VIVXHGFDPVKZFR-IUODEOHRSA-N 2 2 311.267 3.584 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000090004179 1032381636 /nfs/dbraw/zinc/38/16/36/1032381636.db2.gz LLXXVSAKYPLGGK-RDTXWAMCSA-N 2 2 313.420 3.501 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000090004179 1032381644 /nfs/dbraw/zinc/38/16/44/1032381644.db2.gz LLXXVSAKYPLGGK-RDTXWAMCSA-N 2 2 313.420 3.501 20 0 DHADLP CCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000090399698 1032396873 /nfs/dbraw/zinc/39/68/73/1032396873.db2.gz DPYHBHGFAVIJHP-PKOBYXMFSA-N 2 2 315.505 3.852 20 0 DHADLP CCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000090399698 1032396884 /nfs/dbraw/zinc/39/68/84/1032396884.db2.gz DPYHBHGFAVIJHP-PKOBYXMFSA-N 2 2 315.505 3.852 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2cccnc2)cc1 ZINC000925144564 1017303832 /nfs/dbraw/zinc/30/38/32/1017303832.db2.gz UUVCQSHHENXWBT-AHRSYUTCSA-N 2 2 309.457 3.552 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cccnc2)cc1 ZINC000925144564 1017303842 /nfs/dbraw/zinc/30/38/42/1017303842.db2.gz UUVCQSHHENXWBT-AHRSYUTCSA-N 2 2 309.457 3.552 20 0 DHADLP Cc1ncccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318563 1032530417 /nfs/dbraw/zinc/53/04/17/1032530417.db2.gz DMDTWDRBCBWJSI-UTKZUKDTSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318563 1032530426 /nfs/dbraw/zinc/53/04/26/1032530426.db2.gz DMDTWDRBCBWJSI-UTKZUKDTSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318563 1032530432 /nfs/dbraw/zinc/53/04/32/1032530432.db2.gz DMDTWDRBCBWJSI-UTKZUKDTSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318563 1032530439 /nfs/dbraw/zinc/53/04/39/1032530439.db2.gz DMDTWDRBCBWJSI-UTKZUKDTSA-N 2 2 323.484 3.875 20 0 DHADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000093564215 1032545852 /nfs/dbraw/zinc/54/58/52/1032545852.db2.gz UEESZWJNOPXGMJ-INIZCTEOSA-N 2 2 321.534 3.792 20 0 DHADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000093564215 1032545856 /nfs/dbraw/zinc/54/58/56/1032545856.db2.gz UEESZWJNOPXGMJ-INIZCTEOSA-N 2 2 321.534 3.792 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(C3CCCC3)s2)CC[N@@H+]1C ZINC000093644000 1032550833 /nfs/dbraw/zinc/55/08/33/1032550833.db2.gz ZHMNTGGYMGMLCT-DZGCQCFKSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(C3CCCC3)s2)CC[N@H+]1C ZINC000093644000 1032550837 /nfs/dbraw/zinc/55/08/37/1032550837.db2.gz ZHMNTGGYMGMLCT-DZGCQCFKSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(C3CCCC3)s2)CC[NH+]1C ZINC000093644000 1032550841 /nfs/dbraw/zinc/55/08/41/1032550841.db2.gz ZHMNTGGYMGMLCT-DZGCQCFKSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(C3CCCC3)s2)CC[NH+]1C ZINC000093644000 1032550846 /nfs/dbraw/zinc/55/08/46/1032550846.db2.gz ZHMNTGGYMGMLCT-DZGCQCFKSA-N 2 2 307.507 3.715 20 0 DHADLP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000425339736 1012459677 /nfs/dbraw/zinc/45/96/77/1012459677.db2.gz CWPKDAUZZRSFAH-OKZBNKHCSA-N 2 2 315.486 3.725 20 0 DHADLP COCCC1(C[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000436276867 1012711543 /nfs/dbraw/zinc/71/15/43/1012711543.db2.gz VRBAWPISJVOJBB-ZWKOTPCHSA-N 2 2 310.526 3.826 20 0 DHADLP COCCC1(C[NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000436276867 1012711561 /nfs/dbraw/zinc/71/15/61/1012711561.db2.gz VRBAWPISJVOJBB-ZWKOTPCHSA-N 2 2 310.526 3.826 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Oc2ccccc2)cn1 ZINC000516921659 1012866434 /nfs/dbraw/zinc/86/64/34/1012866434.db2.gz DFVQOOMBNLJPIW-LSBZLQRGSA-N 2 2 311.429 3.794 20 0 DHADLP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Cl)cc1Cl ZINC001206809514 1012992258 /nfs/dbraw/zinc/99/22/58/1012992258.db2.gz LTFYEZAQFZUUEZ-NWDGAFQWSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Cl)cc1Cl ZINC001206809514 1012992268 /nfs/dbraw/zinc/99/22/68/1012992268.db2.gz LTFYEZAQFZUUEZ-NWDGAFQWSA-N 2 2 301.261 3.861 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000537696317 1032676115 /nfs/dbraw/zinc/67/61/15/1032676115.db2.gz GYSSHABFSGTNKA-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000537696317 1032676122 /nfs/dbraw/zinc/67/61/22/1032676122.db2.gz GYSSHABFSGTNKA-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000537696317 1032676137 /nfs/dbraw/zinc/67/61/37/1032676137.db2.gz GYSSHABFSGTNKA-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000537696317 1032676151 /nfs/dbraw/zinc/67/61/51/1032676151.db2.gz GYSSHABFSGTNKA-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP C[C@@H]1CC([N@@H+]2Cc3ccncc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061670 1017157704 /nfs/dbraw/zinc/15/77/04/1017157704.db2.gz IZVILSRANKMWCH-IAGOWNOFSA-N 2 2 321.468 3.839 20 0 DHADLP C[C@@H]1CC([N@H+]2Cc3ccncc3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061670 1017157712 /nfs/dbraw/zinc/15/77/12/1017157712.db2.gz IZVILSRANKMWCH-IAGOWNOFSA-N 2 2 321.468 3.839 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475355439 1017167278 /nfs/dbraw/zinc/16/72/78/1017167278.db2.gz VAEZRTGAATYROX-WSYDAFBYSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@H](CC[NH2+]Cc1cc(O)cc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000349597816 1017210166 /nfs/dbraw/zinc/21/01/66/1017210166.db2.gz KMZCHYVZUKUFGJ-OAHLLOKOSA-N 2 2 316.420 3.532 20 0 DHADLP C[C@H](CC[NH2+]Cc1cc(O)cc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000349597816 1017210174 /nfs/dbraw/zinc/21/01/74/1017210174.db2.gz KMZCHYVZUKUFGJ-OAHLLOKOSA-N 2 2 316.420 3.532 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857901899 1032709466 /nfs/dbraw/zinc/70/94/66/1032709466.db2.gz NTQQARGFBTVZRP-ZIAGYGMSSA-N 2 2 318.852 3.623 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)C12CCCC2 ZINC000181672819 1017786153 /nfs/dbraw/zinc/78/61/53/1017786153.db2.gz VONXLMAPVYDVNJ-DLBZAZTESA-N 2 2 317.477 3.601 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC4(CCC[N@H+]4C)CC3)[nH+]c2c1 ZINC000445590399 1017918225 /nfs/dbraw/zinc/91/82/25/1017918225.db2.gz BUAYTXHSRZZSQI-UHFFFAOYSA-N 2 2 309.457 3.916 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC4(CCC[N@@H+]4C)CC3)[nH+]c2c1 ZINC000445590399 1017918237 /nfs/dbraw/zinc/91/82/37/1017918237.db2.gz BUAYTXHSRZZSQI-UHFFFAOYSA-N 2 2 309.457 3.916 20 0 DHADLP CC[C@H](c1ccccc1)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624256300 1017947172 /nfs/dbraw/zinc/94/71/72/1017947172.db2.gz LJBQEKIZSKIOQE-LJQANCHMSA-N 2 2 316.489 3.715 20 0 DHADLP CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)OC ZINC000362975560 1017997934 /nfs/dbraw/zinc/99/79/34/1017997934.db2.gz GAHIWXHRACYQMP-HDMKZQKVSA-N 2 2 301.434 3.584 20 0 DHADLP C[C@@H](CC[NH2+][C@@H](C)c1nc2c(s1)CCCC2)[NH+]1CCCCC1 ZINC000184498210 1018083299 /nfs/dbraw/zinc/08/32/99/1018083299.db2.gz UZFVQHHRKJHKRC-GJZGRUSLSA-N 2 2 321.534 3.937 20 0 DHADLP c1csc([C@H](Cc2ccccc2)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000184983679 1018101214 /nfs/dbraw/zinc/10/12/14/1018101214.db2.gz XJBCGHVCPBYBKM-KRWDZBQOSA-N 2 2 311.454 3.908 20 0 DHADLP C[C@@H]([NH2+]Cc1nc2ccccc2o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720095 1018127488 /nfs/dbraw/zinc/12/74/88/1018127488.db2.gz JVQPHCCMBNCXEM-CABCVRRESA-N 2 2 313.445 3.570 20 0 DHADLP C[C@@H]([NH2+]Cc1nc2ccccc2o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720095 1018127493 /nfs/dbraw/zinc/12/74/93/1018127493.db2.gz JVQPHCCMBNCXEM-CABCVRRESA-N 2 2 313.445 3.570 20 0 DHADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000193460495 1018143763 /nfs/dbraw/zinc/14/37/63/1018143763.db2.gz OCNFEAAVTVSHCM-GOSISDBHSA-N 2 2 320.477 3.573 20 0 DHADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000193460495 1018143765 /nfs/dbraw/zinc/14/37/65/1018143765.db2.gz OCNFEAAVTVSHCM-GOSISDBHSA-N 2 2 320.477 3.573 20 0 DHADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000193460507 1018144171 /nfs/dbraw/zinc/14/41/71/1018144171.db2.gz OCNFEAAVTVSHCM-SFHVURJKSA-N 2 2 320.477 3.573 20 0 DHADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000193460507 1018144185 /nfs/dbraw/zinc/14/41/85/1018144185.db2.gz OCNFEAAVTVSHCM-SFHVURJKSA-N 2 2 320.477 3.573 20 0 DHADLP COc1ccnc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000925183884 1018165733 /nfs/dbraw/zinc/16/57/33/1018165733.db2.gz KTGFUHDXHBFRHB-HUUCEWRRSA-N 2 2 322.412 3.688 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000343110291 1018187960 /nfs/dbraw/zinc/18/79/60/1018187960.db2.gz STSNBHKPMNSWTQ-QGZVFWFLSA-N 2 2 315.848 3.692 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)s2)cc1 ZINC000525195459 1018199514 /nfs/dbraw/zinc/19/95/14/1018199514.db2.gz AABYWSLVPSYYBN-HOCLYGCPSA-N 2 2 315.486 3.691 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cc1 ZINC000525195459 1018199517 /nfs/dbraw/zinc/19/95/17/1018199517.db2.gz AABYWSLVPSYYBN-HOCLYGCPSA-N 2 2 315.486 3.691 20 0 DHADLP CC(C)Oc1ccccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263666302 1032749486 /nfs/dbraw/zinc/74/94/86/1032749486.db2.gz FLJBHUMYHAPHIQ-UHFFFAOYSA-N 2 2 304.478 3.778 20 0 DHADLP CC(C)Oc1ccccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263666302 1032749507 /nfs/dbraw/zinc/74/95/07/1032749507.db2.gz FLJBHUMYHAPHIQ-UHFFFAOYSA-N 2 2 304.478 3.778 20 0 DHADLP CC(C)Oc1ccccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000525271983 1018219822 /nfs/dbraw/zinc/21/98/22/1018219822.db2.gz FJYZDRIJCJXGTQ-GOSISDBHSA-N 2 2 304.478 3.780 20 0 DHADLP CC(C)Oc1ccccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000525271983 1018219839 /nfs/dbraw/zinc/21/98/39/1018219839.db2.gz FJYZDRIJCJXGTQ-GOSISDBHSA-N 2 2 304.478 3.780 20 0 DHADLP CC(C)Oc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000525271983 1018219851 /nfs/dbraw/zinc/21/98/51/1018219851.db2.gz FJYZDRIJCJXGTQ-GOSISDBHSA-N 2 2 304.478 3.780 20 0 DHADLP CC(C)Oc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000525271983 1018219857 /nfs/dbraw/zinc/21/98/57/1018219857.db2.gz FJYZDRIJCJXGTQ-GOSISDBHSA-N 2 2 304.478 3.780 20 0 DHADLP C[N@@H+](Cc1ccccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525268943 1018226898 /nfs/dbraw/zinc/22/68/98/1018226898.db2.gz NNYLLKYZWFDLFT-GOSISDBHSA-N 2 2 312.432 3.780 20 0 DHADLP C[N@H+](Cc1ccccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000525268943 1018226913 /nfs/dbraw/zinc/22/69/13/1018226913.db2.gz NNYLLKYZWFDLFT-GOSISDBHSA-N 2 2 312.432 3.780 20 0 DHADLP C[NH+](Cc1ccccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525268943 1018226922 /nfs/dbraw/zinc/22/69/22/1018226922.db2.gz NNYLLKYZWFDLFT-GOSISDBHSA-N 2 2 312.432 3.780 20 0 DHADLP C[NH+](Cc1ccccc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000525268943 1018226930 /nfs/dbraw/zinc/22/69/30/1018226930.db2.gz NNYLLKYZWFDLFT-GOSISDBHSA-N 2 2 312.432 3.780 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]C[C@H]2C[C@H]2c2ccccc2)c[nH+]1 ZINC000343150710 1018275697 /nfs/dbraw/zinc/27/56/97/1018275697.db2.gz FDSOBZCBTDDGKL-RTWAWAEBSA-N 2 2 317.436 3.825 20 0 DHADLP Clc1cccc2c1SCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427844596 1018338227 /nfs/dbraw/zinc/33/82/27/1018338227.db2.gz OGHLUOUIWBDTTC-SMDDNHRTSA-N 2 2 319.861 3.678 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000525708873 1018356646 /nfs/dbraw/zinc/35/66/46/1018356646.db2.gz NFMZEYVXJRMVBR-GOEBONIOSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000525708873 1018356654 /nfs/dbraw/zinc/35/66/54/1018356654.db2.gz NFMZEYVXJRMVBR-GOEBONIOSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000525708551 1018357390 /nfs/dbraw/zinc/35/73/90/1018357390.db2.gz YIHRVDKPINNNEB-DZGCQCFKSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000525708551 1018357408 /nfs/dbraw/zinc/35/74/08/1018357408.db2.gz YIHRVDKPINNNEB-DZGCQCFKSA-N 2 2 316.420 3.966 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447325074 1018373626 /nfs/dbraw/zinc/37/36/26/1018373626.db2.gz OOZJAOWZHSMPQP-MRXNPFEDSA-N 2 2 315.288 3.952 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447325074 1018373636 /nfs/dbraw/zinc/37/36/36/1018373636.db2.gz OOZJAOWZHSMPQP-MRXNPFEDSA-N 2 2 315.288 3.952 20 0 DHADLP CC[C@H](C[NH2+][C@H](CC)c1ccc2c(c1)CCO2)[NH+]1CCCC1 ZINC000764871810 1018411677 /nfs/dbraw/zinc/41/16/77/1018411677.db2.gz ZBYMVQBDSUNLQI-QZTJIDSGSA-N 2 2 302.462 3.537 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000174307113 1018414032 /nfs/dbraw/zinc/41/40/32/1018414032.db2.gz NJJVALUFIOPHLB-SFHVURJKSA-N 2 2 310.441 3.546 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000174307113 1018414042 /nfs/dbraw/zinc/41/40/42/1018414042.db2.gz NJJVALUFIOPHLB-SFHVURJKSA-N 2 2 310.441 3.546 20 0 DHADLP Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1F ZINC000384502370 1018486037 /nfs/dbraw/zinc/48/60/37/1018486037.db2.gz PRHCRBDFLOEADG-UHFFFAOYSA-N 2 2 312.432 3.888 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000675739064 1018568155 /nfs/dbraw/zinc/56/81/55/1018568155.db2.gz BJSXOZZYSOMTAB-PXNSSMCTSA-N 2 2 309.457 3.990 20 0 DHADLP Cc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001171552516 1032774987 /nfs/dbraw/zinc/77/49/87/1032774987.db2.gz XTAJKVXTPOVXAE-LJQANCHMSA-N 2 2 317.436 3.828 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CC[N@H+](CC4CC4)C3)ccc2c1 ZINC000675832993 1018605156 /nfs/dbraw/zinc/60/51/56/1018605156.db2.gz GHKACDPAHJKQQB-FOIQADDNSA-N 2 2 324.468 3.983 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)ccc2c1 ZINC000675832993 1018605164 /nfs/dbraw/zinc/60/51/64/1018605164.db2.gz GHKACDPAHJKQQB-FOIQADDNSA-N 2 2 324.468 3.983 20 0 DHADLP CCC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833744 1018605615 /nfs/dbraw/zinc/60/56/15/1018605615.db2.gz OKVWKMJEZQUWII-PKOBYXMFSA-N 2 2 302.462 3.610 20 0 DHADLP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC)cc1 ZINC000675833744 1018605618 /nfs/dbraw/zinc/60/56/18/1018605618.db2.gz OKVWKMJEZQUWII-PKOBYXMFSA-N 2 2 302.462 3.610 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000675833577 1018605950 /nfs/dbraw/zinc/60/59/50/1018605950.db2.gz MOMFZATZMVRQMB-KKSFZXQISA-N 2 2 321.468 3.884 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000675833577 1018605955 /nfs/dbraw/zinc/60/59/55/1018605955.db2.gz MOMFZATZMVRQMB-KKSFZXQISA-N 2 2 321.468 3.884 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cncs1 ZINC000675923539 1018626495 /nfs/dbraw/zinc/62/64/95/1018626495.db2.gz SRRIXJIIOQDMGR-HIFRSBDPSA-N 2 2 312.442 3.511 20 0 DHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000858139538 1032778247 /nfs/dbraw/zinc/77/82/47/1032778247.db2.gz VDYPFMZMXNYUEW-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncccc1Cl ZINC000926541554 1018785213 /nfs/dbraw/zinc/78/52/13/1018785213.db2.gz MLIDLYFQMMSYMZ-HUORLRHWSA-N 2 2 307.869 3.791 20 0 DHADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncccc1Cl ZINC000926541554 1018785220 /nfs/dbraw/zinc/78/52/20/1018785220.db2.gz MLIDLYFQMMSYMZ-HUORLRHWSA-N 2 2 307.869 3.791 20 0 DHADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+](CC)CC)CCO1 ZINC000315895790 1018860521 /nfs/dbraw/zinc/86/05/21/1018860521.db2.gz BYGKAYVRDPZIPK-QRVBRYPASA-N 2 2 304.478 3.617 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000921809290 1018895191 /nfs/dbraw/zinc/89/51/91/1018895191.db2.gz GSNDEZOLQRFDQT-UHFFFAOYSA-N 2 2 321.896 3.930 20 0 DHADLP CCC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccn1 ZINC000158779725 1018916497 /nfs/dbraw/zinc/91/64/97/1018916497.db2.gz PWOPXVUNPPIXOX-KRWDZBQOSA-N 2 2 306.413 3.898 20 0 DHADLP C[NH+]1C(C)(C)CC([N@@H+]2CCOC[C@@H]2c2ccccc2)CC1(C)C ZINC001171631970 1032795772 /nfs/dbraw/zinc/79/57/72/1032795772.db2.gz RODUFZWQLGSJPH-GOSISDBHSA-N 2 2 316.489 3.711 20 0 DHADLP C[NH+]1C(C)(C)CC([N@H+]2CCOC[C@@H]2c2ccccc2)CC1(C)C ZINC001171631970 1032795787 /nfs/dbraw/zinc/79/57/87/1032795787.db2.gz RODUFZWQLGSJPH-GOSISDBHSA-N 2 2 316.489 3.711 20 0 DHADLP [NH3+]CC[C@@H]1CN(c2ccc(F)c(-n3cc[nH+]c3)c2)c2ccccc21 ZINC001168548643 1018997953 /nfs/dbraw/zinc/99/79/53/1018997953.db2.gz NWNNOMFNVZLMKF-CQSZACIVSA-N 2 2 322.387 3.596 20 0 DHADLP CC(C)[NH2+][C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000672200094 1018998159 /nfs/dbraw/zinc/99/81/59/1018998159.db2.gz CJFBFJWLDXUEFL-CYBMUJFWSA-N 2 2 303.837 3.855 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220669 1019028828 /nfs/dbraw/zinc/02/88/28/1019028828.db2.gz PPYGCOLFFZLQHM-BLLLJJGKSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220669 1019028848 /nfs/dbraw/zinc/02/88/48/1019028848.db2.gz PPYGCOLFFZLQHM-BLLLJJGKSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220669 1019028857 /nfs/dbraw/zinc/02/88/57/1019028857.db2.gz PPYGCOLFFZLQHM-BLLLJJGKSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)ccc2Cl)C1 ZINC000584220669 1019028873 /nfs/dbraw/zinc/02/88/73/1019028873.db2.gz PPYGCOLFFZLQHM-BLLLJJGKSA-N 2 2 313.272 3.910 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2ccncc2s1 ZINC000657838047 1019088403 /nfs/dbraw/zinc/08/84/03/1019088403.db2.gz NEOCFWPWGLYWRU-CFVMTHIKSA-N 2 2 301.459 3.574 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2ccncc2s1 ZINC000657838047 1019088418 /nfs/dbraw/zinc/08/84/18/1019088418.db2.gz NEOCFWPWGLYWRU-CFVMTHIKSA-N 2 2 301.459 3.574 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1)CCC2 ZINC000338770647 1019132351 /nfs/dbraw/zinc/13/23/51/1019132351.db2.gz CRMYCAGRYFNSCJ-QXCFHYIPSA-N 2 2 309.457 3.851 20 0 DHADLP Cc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)sc1C(C)(C)C ZINC000923365067 1019152787 /nfs/dbraw/zinc/15/27/87/1019152787.db2.gz RVWRKLCDBZLHNK-HUUCEWRRSA-N 2 2 321.534 3.713 20 0 DHADLP Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)sc1C(C)(C)C ZINC000923365067 1019152791 /nfs/dbraw/zinc/15/27/91/1019152791.db2.gz RVWRKLCDBZLHNK-HUUCEWRRSA-N 2 2 321.534 3.713 20 0 DHADLP Fc1ccccc1C1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000076766732 1019170949 /nfs/dbraw/zinc/17/09/49/1019170949.db2.gz JWIFJUYLPHEJJK-UHFFFAOYSA-N 2 2 307.372 3.790 20 0 DHADLP C[C@@H]1CC(F)(F)CC[NH+]1CCC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000625980165 1019173783 /nfs/dbraw/zinc/17/37/83/1019173783.db2.gz GYDKIVZKEHFKEV-CHWSQXEVSA-N 2 2 310.379 3.616 20 0 DHADLP C[C@@H]1CC(F)(F)CC[NH+]1CCC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000625980165 1019173794 /nfs/dbraw/zinc/17/37/94/1019173794.db2.gz GYDKIVZKEHFKEV-CHWSQXEVSA-N 2 2 310.379 3.616 20 0 DHADLP c1cc(-c2nc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cs2)cs1 ZINC000666998469 1032814115 /nfs/dbraw/zinc/81/41/15/1032814115.db2.gz VRPBQVGAZVKCGX-CYBMUJFWSA-N 2 2 319.499 3.636 20 0 DHADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000347921532 1019228934 /nfs/dbraw/zinc/22/89/34/1019228934.db2.gz BTBZBFQSCVBBII-WFASDCNBSA-N 2 2 307.507 3.503 20 0 DHADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000347921532 1019228940 /nfs/dbraw/zinc/22/89/40/1019228940.db2.gz BTBZBFQSCVBBII-WFASDCNBSA-N 2 2 307.507 3.503 20 0 DHADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCC3)C2)cc1 ZINC001171665504 1032820288 /nfs/dbraw/zinc/82/02/88/1032820288.db2.gz HFRMFRYIMZXTLJ-XLIONFOSSA-N 2 2 300.490 3.780 20 0 DHADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)cc1 ZINC001171665504 1032820318 /nfs/dbraw/zinc/82/03/18/1032820318.db2.gz HFRMFRYIMZXTLJ-XLIONFOSSA-N 2 2 300.490 3.780 20 0 DHADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCSC2)C[N@@H+]1Cc1ccccc1 ZINC000672620989 1019313199 /nfs/dbraw/zinc/31/31/99/1019313199.db2.gz JUYLHJMCMFEBCK-MSOLQXFVSA-N 2 2 318.530 3.772 20 0 DHADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCSC2)C[N@H+]1Cc1ccccc1 ZINC000672620989 1019313214 /nfs/dbraw/zinc/31/32/14/1019313214.db2.gz JUYLHJMCMFEBCK-MSOLQXFVSA-N 2 2 318.530 3.772 20 0 DHADLP CC1(C)C[C@H]([NH2+]CCC2(F)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000672616939 1019321010 /nfs/dbraw/zinc/32/10/10/1019321010.db2.gz QHAONRIXDMUPQM-KRWDZBQOSA-N 2 2 304.453 3.911 20 0 DHADLP CC1(C)C[C@H]([NH2+]CCC2(F)CCC2)C[N@H+]1Cc1ccccc1 ZINC000672616939 1019321019 /nfs/dbraw/zinc/32/10/19/1019321019.db2.gz QHAONRIXDMUPQM-KRWDZBQOSA-N 2 2 304.453 3.911 20 0 DHADLP Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000090519901 1019407276 /nfs/dbraw/zinc/40/72/76/1019407276.db2.gz MBVWUSARGAEMRO-UZLBHIALSA-N 2 2 321.424 3.565 20 0 DHADLP COc1ccc2oc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000092073923 1019505404 /nfs/dbraw/zinc/50/54/04/1019505404.db2.gz QDDDRDJMXZFFPW-CYBMUJFWSA-N 2 2 311.385 3.544 20 0 DHADLP COc1ccc2oc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000092073923 1019505411 /nfs/dbraw/zinc/50/54/11/1019505411.db2.gz QDDDRDJMXZFFPW-CYBMUJFWSA-N 2 2 311.385 3.544 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)s1 ZINC000858320815 1032847069 /nfs/dbraw/zinc/84/70/69/1032847069.db2.gz JOTYGHJLTTWXQD-OAHLLOKOSA-N 2 2 321.877 3.635 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1nc2ccccc2s1 ZINC000021053458 1032848474 /nfs/dbraw/zinc/84/84/74/1032848474.db2.gz FQCRALJARKVQEF-CQSZACIVSA-N 2 2 303.475 3.823 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000526983865 1019739664 /nfs/dbraw/zinc/73/96/64/1019739664.db2.gz KCWVXJWUKJZYCG-LMRVLLHPSA-N 2 2 306.416 3.675 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000526983865 1019739677 /nfs/dbraw/zinc/73/96/77/1019739677.db2.gz KCWVXJWUKJZYCG-LMRVLLHPSA-N 2 2 306.416 3.675 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000526983866 1019740400 /nfs/dbraw/zinc/74/04/00/1019740400.db2.gz KCWVXJWUKJZYCG-ZUJMUWTESA-N 2 2 306.416 3.675 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CCC(C(F)(F)F)CC1 ZINC000526983866 1019740416 /nfs/dbraw/zinc/74/04/16/1019740416.db2.gz KCWVXJWUKJZYCG-ZUJMUWTESA-N 2 2 306.416 3.675 20 0 DHADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000685411013 1019793373 /nfs/dbraw/zinc/79/33/73/1019793373.db2.gz YVTBCXOUMXHHKA-VXYRWZGASA-N 2 2 303.356 3.581 20 0 DHADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000685411013 1019793388 /nfs/dbraw/zinc/79/33/88/1019793388.db2.gz YVTBCXOUMXHHKA-VXYRWZGASA-N 2 2 303.356 3.581 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000685429678 1019818375 /nfs/dbraw/zinc/81/83/75/1019818375.db2.gz GXIWSMLKUCACBY-IBGZPJMESA-N 2 2 308.425 3.921 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000157831258 1019913318 /nfs/dbraw/zinc/91/33/18/1019913318.db2.gz ABIJDPTYIMVUKS-HRAATJIYSA-N 2 2 321.468 3.884 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000157831258 1019913328 /nfs/dbraw/zinc/91/33/28/1019913328.db2.gz ABIJDPTYIMVUKS-HRAATJIYSA-N 2 2 321.468 3.884 20 0 DHADLP c1cn(-c2ccc(C[NH2+]CC3C[C@H]4CC[C@@H](C3)S4)cc2)c[nH+]1 ZINC000922423665 1020066794 /nfs/dbraw/zinc/06/67/94/1020066794.db2.gz HKNZVBGHOMQADR-ZNXRZULTSA-N 2 2 313.470 3.636 20 0 DHADLP C[C@]1(C[NH2+]C2CC(CF)(CF)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000657982074 1020067048 /nfs/dbraw/zinc/06/70/48/1020067048.db2.gz UCPGSQLTNTWVTQ-GOSISDBHSA-N 2 2 322.443 3.719 20 0 DHADLP C[C@]1(C[NH2+]C2CC(CF)(CF)C2)CCC[N@H+]1Cc1ccccc1 ZINC000657982074 1020067059 /nfs/dbraw/zinc/06/70/59/1020067059.db2.gz UCPGSQLTNTWVTQ-GOSISDBHSA-N 2 2 322.443 3.719 20 0 DHADLP C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000585750640 1020081180 /nfs/dbraw/zinc/08/11/80/1020081180.db2.gz OLWNIBBITGYOHS-INIZCTEOSA-N 2 2 319.408 3.828 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CCCSCC1 ZINC000658022915 1020094195 /nfs/dbraw/zinc/09/41/95/1020094195.db2.gz GFUIRZJSAYCHGP-ZDUSSCGKSA-N 2 2 321.877 3.901 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)F)nc1 ZINC000658049908 1020116256 /nfs/dbraw/zinc/11/62/56/1020116256.db2.gz ZMFLBBRBLXQBMU-BJJXKVORSA-N 2 2 309.404 3.687 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)F)nc1 ZINC000658049908 1020116259 /nfs/dbraw/zinc/11/62/59/1020116259.db2.gz ZMFLBBRBLXQBMU-BJJXKVORSA-N 2 2 309.404 3.687 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000658089862 1020134402 /nfs/dbraw/zinc/13/44/02/1020134402.db2.gz BKSPGLOZOPFFEL-NEWSRXKRSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000658089862 1020134410 /nfs/dbraw/zinc/13/44/10/1020134410.db2.gz BKSPGLOZOPFFEL-NEWSRXKRSA-N 2 2 316.489 3.617 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000765799860 1020238451 /nfs/dbraw/zinc/23/84/51/1020238451.db2.gz IXWQDSWIANLVDW-JKSUJKDBSA-N 2 2 304.478 3.999 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000765799860 1020238455 /nfs/dbraw/zinc/23/84/55/1020238455.db2.gz IXWQDSWIANLVDW-JKSUJKDBSA-N 2 2 304.478 3.999 20 0 DHADLP CCc1ccc([C@@H]2CCCCC[N@@H+]2CCc2c[nH+]cn2C)o1 ZINC000347743350 1020286687 /nfs/dbraw/zinc/28/66/87/1020286687.db2.gz FSYSZDNQHKWRQP-KRWDZBQOSA-N 2 2 301.434 3.735 20 0 DHADLP CCc1ccc([C@@H]2CCCCC[N@H+]2CCc2c[nH+]cn2C)o1 ZINC000347743350 1020286693 /nfs/dbraw/zinc/28/66/93/1020286693.db2.gz FSYSZDNQHKWRQP-KRWDZBQOSA-N 2 2 301.434 3.735 20 0 DHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000096268573 1020360347 /nfs/dbraw/zinc/36/03/47/1020360347.db2.gz YVTFLCQESCQUJD-MRXNPFEDSA-N 2 2 312.379 3.623 20 0 DHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000096268573 1020360360 /nfs/dbraw/zinc/36/03/60/1020360360.db2.gz YVTFLCQESCQUJD-MRXNPFEDSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000096268573 1020360371 /nfs/dbraw/zinc/36/03/71/1020360371.db2.gz YVTFLCQESCQUJD-MRXNPFEDSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000096268573 1020360381 /nfs/dbraw/zinc/36/03/81/1020360381.db2.gz YVTFLCQESCQUJD-MRXNPFEDSA-N 2 2 312.379 3.623 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccccc2)s1 ZINC000347643509 1020428835 /nfs/dbraw/zinc/42/88/35/1020428835.db2.gz AHKGEJVPTSKYPF-MRXNPFEDSA-N 2 2 301.459 3.542 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccccc2)s1 ZINC000347643509 1020428842 /nfs/dbraw/zinc/42/88/42/1020428842.db2.gz AHKGEJVPTSKYPF-MRXNPFEDSA-N 2 2 301.459 3.542 20 0 DHADLP Clc1cccc2c1SCC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353623084 1020525921 /nfs/dbraw/zinc/52/59/21/1020525921.db2.gz NXBOWLMELWHULP-GXFFZTMASA-N 2 2 319.861 3.747 20 0 DHADLP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000858464877 1032908243 /nfs/dbraw/zinc/90/82/43/1032908243.db2.gz SDSCFBKCGKWDSM-HOCLYGCPSA-N 2 2 319.880 3.719 20 0 DHADLP Clc1ccc2c(n1)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000858464877 1032908266 /nfs/dbraw/zinc/90/82/66/1032908266.db2.gz SDSCFBKCGKWDSM-HOCLYGCPSA-N 2 2 319.880 3.719 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479683 1020549003 /nfs/dbraw/zinc/54/90/03/1020549003.db2.gz PPSQRPVWZYVXDP-WMLDXEAASA-N 2 2 322.880 3.703 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479683 1020549010 /nfs/dbraw/zinc/54/90/10/1020549010.db2.gz PPSQRPVWZYVXDP-WMLDXEAASA-N 2 2 322.880 3.703 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccnc(Cl)c1 ZINC000152248519 1020554299 /nfs/dbraw/zinc/55/42/99/1020554299.db2.gz CYNRYVNYDVAZLS-ZDUSSCGKSA-N 2 2 312.804 3.772 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000347840811 1020561063 /nfs/dbraw/zinc/56/10/63/1020561063.db2.gz DVPLWNVXEBSDFT-PKOBYXMFSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000347840811 1020561091 /nfs/dbraw/zinc/56/10/91/1020561091.db2.gz DVPLWNVXEBSDFT-PKOBYXMFSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000347840811 1020561097 /nfs/dbraw/zinc/56/10/97/1020561097.db2.gz DVPLWNVXEBSDFT-PKOBYXMFSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000347840811 1020561107 /nfs/dbraw/zinc/56/11/07/1020561107.db2.gz DVPLWNVXEBSDFT-PKOBYXMFSA-N 2 2 315.505 3.730 20 0 DHADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCC(C(F)(F)F)CC1 ZINC000475090227 1020580867 /nfs/dbraw/zinc/58/08/67/1020580867.db2.gz QTTQJDXOSKYZDH-HSBZDZAISA-N 2 2 306.416 3.818 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CC2 ZINC000177935064 1020605648 /nfs/dbraw/zinc/60/56/48/1020605648.db2.gz RSWSACWSVJDVBM-FQEVSTJZSA-N 2 2 321.399 3.848 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCc2ccc(Cl)cc2)s1 ZINC000347871353 1020620673 /nfs/dbraw/zinc/62/06/73/1020620673.db2.gz RPCQSOIQVLHMIV-UHFFFAOYSA-N 2 2 323.893 3.533 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCc2ccc(Cl)cc2)s1 ZINC000347871353 1020620680 /nfs/dbraw/zinc/62/06/80/1020620680.db2.gz RPCQSOIQVLHMIV-UHFFFAOYSA-N 2 2 323.893 3.533 20 0 DHADLP Cc1[nH+]cn([C@@H](C)Cc2ccc(C(F)(F)F)cc2)c1CC[NH3+] ZINC001171958877 1032925502 /nfs/dbraw/zinc/92/55/02/1032925502.db2.gz KHMKWUIUIJCPKB-NSHDSACASA-N 2 2 311.351 3.515 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000339011803 1032930485 /nfs/dbraw/zinc/93/04/85/1032930485.db2.gz SXPVNWIZFDLYCU-UHFFFAOYSA-N 2 2 303.494 3.684 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000339011803 1032930495 /nfs/dbraw/zinc/93/04/95/1032930495.db2.gz SXPVNWIZFDLYCU-UHFFFAOYSA-N 2 2 303.494 3.684 20 0 DHADLP CC[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647498235 1020773638 /nfs/dbraw/zinc/77/36/38/1020773638.db2.gz CYYBGUPZDJNQAA-AAEUAGOBSA-N 2 2 318.795 3.501 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647498235 1020773640 /nfs/dbraw/zinc/77/36/40/1020773640.db2.gz CYYBGUPZDJNQAA-AAEUAGOBSA-N 2 2 318.795 3.501 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC001171958426 1032927063 /nfs/dbraw/zinc/92/70/63/1032927063.db2.gz YRALEMUGNGOKHY-CYBMUJFWSA-N 2 2 311.351 3.513 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC([NH+](C)C)CC1 ZINC000685834051 1020784191 /nfs/dbraw/zinc/78/41/91/1020784191.db2.gz SVBOGARYSJPGPP-OWBHPGMISA-N 2 2 324.415 3.717 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@H](C)c1nc2ccccc2s1 ZINC000766275707 1021041283 /nfs/dbraw/zinc/04/12/83/1021041283.db2.gz YOWNHAZNVFPLPL-KKUMJFAQSA-N 2 2 317.502 3.862 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@H](C)c1nc2ccccc2s1 ZINC000766275707 1021041286 /nfs/dbraw/zinc/04/12/86/1021041286.db2.gz YOWNHAZNVFPLPL-KKUMJFAQSA-N 2 2 317.502 3.862 20 0 DHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3nccs3)cc2)CC1 ZINC000892614409 1021094383 /nfs/dbraw/zinc/09/43/83/1021094383.db2.gz INZSCJPUWPSHLO-UHFFFAOYSA-N 2 2 316.474 3.665 20 0 DHADLP Cc1nc(C)c(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)s1 ZINC000742391099 1021110779 /nfs/dbraw/zinc/11/07/79/1021110779.db2.gz DCGBECWXYGHCRB-GFCCVEGCSA-N 2 2 312.442 3.796 20 0 DHADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000180559626 1021143970 /nfs/dbraw/zinc/14/39/70/1021143970.db2.gz ZSNRWMGOCWINTP-GDBMZVCRSA-N 2 2 312.461 3.594 20 0 DHADLP CCc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000339012542 1032961296 /nfs/dbraw/zinc/96/12/96/1032961296.db2.gz SDLFWZGSQIUYEB-FQEVSTJZSA-N 2 2 323.484 3.598 20 0 DHADLP CCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000339012542 1032961315 /nfs/dbraw/zinc/96/13/15/1032961315.db2.gz SDLFWZGSQIUYEB-FQEVSTJZSA-N 2 2 323.484 3.598 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000339012542 1032961337 /nfs/dbraw/zinc/96/13/37/1032961337.db2.gz SDLFWZGSQIUYEB-FQEVSTJZSA-N 2 2 323.484 3.598 20 0 DHADLP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000339012542 1032961351 /nfs/dbraw/zinc/96/13/51/1032961351.db2.gz SDLFWZGSQIUYEB-FQEVSTJZSA-N 2 2 323.484 3.598 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](CC(F)(F)F)c2ccccc2)CC[N@@H+]1C ZINC000252185428 1021278084 /nfs/dbraw/zinc/27/80/84/1021278084.db2.gz UFEIYVFZKJXLGM-BPLDGKMQSA-N 2 2 300.368 3.752 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](CC(F)(F)F)c2ccccc2)CC[N@H+]1C ZINC000252185428 1021278093 /nfs/dbraw/zinc/27/80/93/1021278093.db2.gz UFEIYVFZKJXLGM-BPLDGKMQSA-N 2 2 300.368 3.752 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000537991479 1032965049 /nfs/dbraw/zinc/96/50/49/1032965049.db2.gz RDOKCMHIABTLAV-IAQYHMDHSA-N 2 2 313.272 3.608 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000537991479 1032965054 /nfs/dbraw/zinc/96/50/54/1032965054.db2.gz RDOKCMHIABTLAV-IAQYHMDHSA-N 2 2 313.272 3.608 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)oc1C ZINC000337393846 1032965905 /nfs/dbraw/zinc/96/59/05/1032965905.db2.gz MJBYEMCOILEHLK-OAHLLOKOSA-N 2 2 309.413 3.992 20 0 DHADLP CCC[N@@H+](Cc1c(C)cc(Cl)nc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236842276 1021347964 /nfs/dbraw/zinc/34/79/64/1021347964.db2.gz DNRKOTGCGMWKDJ-GFCCVEGCSA-N 2 2 316.276 3.518 20 0 DHADLP CCC[N@H+](Cc1c(C)cc(Cl)nc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236842276 1021347981 /nfs/dbraw/zinc/34/79/81/1021347981.db2.gz DNRKOTGCGMWKDJ-GFCCVEGCSA-N 2 2 316.276 3.518 20 0 DHADLP Cc1[nH+]c2c(n1Cc1c[nH+]c(N(C)C)c3ccccc13)CCCC2 ZINC000917764886 1021357904 /nfs/dbraw/zinc/35/79/04/1021357904.db2.gz CUXDVRGYADHWQU-UHFFFAOYSA-N 2 2 320.440 3.733 20 0 DHADLP Clc1cnc2oc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000648361119 1021466018 /nfs/dbraw/zinc/46/60/18/1021466018.db2.gz SVOOHSWQUDUZKT-NSHDSACASA-N 2 2 316.792 3.584 20 0 DHADLP Clc1cnc2oc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000648361119 1021466025 /nfs/dbraw/zinc/46/60/25/1021466025.db2.gz SVOOHSWQUDUZKT-NSHDSACASA-N 2 2 316.792 3.584 20 0 DHADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccccc1 ZINC000605594055 1021478918 /nfs/dbraw/zinc/47/89/18/1021478918.db2.gz JLYTYYVJEWVKAI-MRXNPFEDSA-N 2 2 304.503 3.699 20 0 DHADLP CC[C@@H](C)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850355378 1021483732 /nfs/dbraw/zinc/48/37/32/1021483732.db2.gz HQCUBLMYQPICFG-MRXNPFEDSA-N 2 2 303.494 3.747 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766325015 1021662252 /nfs/dbraw/zinc/66/22/52/1021662252.db2.gz IVDWQPLRIKJGOD-PBHICJAKSA-N 2 2 313.445 3.869 20 0 DHADLP Cc1cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc(C)c1F ZINC000152832704 1021842338 /nfs/dbraw/zinc/84/23/38/1021842338.db2.gz OHSCWGDUMKHDEU-HNNXBMFYSA-N 2 2 315.436 3.869 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1c(F)cccc1C(F)(F)F)C2 ZINC001169099285 1022245947 /nfs/dbraw/zinc/24/59/47/1022245947.db2.gz OPFWLHMVYNXHJI-ZSBIGDGJSA-N 2 2 316.342 3.559 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1c(F)cccc1C(F)(F)F)C2 ZINC001169099285 1022245956 /nfs/dbraw/zinc/24/59/56/1022245956.db2.gz OPFWLHMVYNXHJI-ZSBIGDGJSA-N 2 2 316.342 3.559 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1Cl)C2 ZINC001169078377 1022250406 /nfs/dbraw/zinc/25/04/06/1022250406.db2.gz DQEKCGKNCYCHNB-ZSBIGDGJSA-N 2 2 317.235 3.847 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1Cl)C2 ZINC001169078377 1022250415 /nfs/dbraw/zinc/25/04/15/1022250415.db2.gz DQEKCGKNCYCHNB-ZSBIGDGJSA-N 2 2 317.235 3.847 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001169083367 1022254072 /nfs/dbraw/zinc/25/40/72/1022254072.db2.gz DJXQLJSBIXBCJN-VAMGGRTRSA-N 2 2 300.490 3.670 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001169083367 1022254077 /nfs/dbraw/zinc/25/40/77/1022254077.db2.gz DJXQLJSBIXBCJN-VAMGGRTRSA-N 2 2 300.490 3.670 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001169083367 1022254106 /nfs/dbraw/zinc/25/41/06/1022254106.db2.gz DJXQLJSBIXBCJN-VAMGGRTRSA-N 2 2 300.490 3.670 20 0 DHADLP CC(C)C[C@H](Cc1ccccc1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001169083367 1022254110 /nfs/dbraw/zinc/25/41/10/1022254110.db2.gz DJXQLJSBIXBCJN-VAMGGRTRSA-N 2 2 300.490 3.670 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000921482424 1022266974 /nfs/dbraw/zinc/26/69/74/1022266974.db2.gz MIDMESWXOZBOSO-OAHLLOKOSA-N 2 2 319.408 3.658 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001169144036 1022274253 /nfs/dbraw/zinc/27/42/53/1022274253.db2.gz HZGBKKXYSOSLRO-MLHJIOFPSA-N 2 2 320.477 3.541 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001169144036 1022274256 /nfs/dbraw/zinc/27/42/56/1022274256.db2.gz HZGBKKXYSOSLRO-MLHJIOFPSA-N 2 2 320.477 3.541 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001169144036 1022274262 /nfs/dbraw/zinc/27/42/62/1022274262.db2.gz HZGBKKXYSOSLRO-MLHJIOFPSA-N 2 2 320.477 3.541 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001169144036 1022274266 /nfs/dbraw/zinc/27/42/66/1022274266.db2.gz HZGBKKXYSOSLRO-MLHJIOFPSA-N 2 2 320.477 3.541 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001169144040 1022275690 /nfs/dbraw/zinc/27/56/90/1022275690.db2.gz HZGBKKXYSOSLRO-VSZNYVQBSA-N 2 2 320.477 3.541 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001169144040 1022275698 /nfs/dbraw/zinc/27/56/98/1022275698.db2.gz HZGBKKXYSOSLRO-VSZNYVQBSA-N 2 2 320.477 3.541 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001169144040 1022275707 /nfs/dbraw/zinc/27/57/07/1022275707.db2.gz HZGBKKXYSOSLRO-VSZNYVQBSA-N 2 2 320.477 3.541 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCSC[C@@H]1c1ccc(F)cc1)C2 ZINC001169144040 1022275714 /nfs/dbraw/zinc/27/57/14/1022275714.db2.gz HZGBKKXYSOSLRO-VSZNYVQBSA-N 2 2 320.477 3.541 20 0 DHADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000267523605 1022314535 /nfs/dbraw/zinc/31/45/35/1022314535.db2.gz OMCFPEPIISEFSW-PBHICJAKSA-N 2 2 315.486 3.594 20 0 DHADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000267523605 1022314549 /nfs/dbraw/zinc/31/45/49/1022314549.db2.gz OMCFPEPIISEFSW-PBHICJAKSA-N 2 2 315.486 3.594 20 0 DHADLP CC[NH+]1CCC([N@H+](Cc2ccccc2)C[Si](C)(C)C)CC1 ZINC001169258544 1022327506 /nfs/dbraw/zinc/32/75/06/1022327506.db2.gz LWMXJAZJDMOHKS-UHFFFAOYSA-N 2 2 304.554 3.850 20 0 DHADLP CC[NH+]1CCC([N@@H+](Cc2ccccc2)C[Si](C)(C)C)CC1 ZINC001169258544 1022327517 /nfs/dbraw/zinc/32/75/17/1022327517.db2.gz LWMXJAZJDMOHKS-UHFFFAOYSA-N 2 2 304.554 3.850 20 0 DHADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(F)c1 ZINC000363849978 1022333469 /nfs/dbraw/zinc/33/34/69/1022333469.db2.gz DJDSTDMCNZGXHW-KRWDZBQOSA-N 2 2 301.409 3.642 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OC(F)(F)F)cc1 ZINC000268796698 1022378824 /nfs/dbraw/zinc/37/88/24/1022378824.db2.gz GFCLSHCZBFJRDH-NWDGAFQWSA-N 2 2 313.323 3.521 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cncs1 ZINC000269066424 1022395111 /nfs/dbraw/zinc/39/51/11/1022395111.db2.gz LOJNFRAAYSSQSR-HLLBOEOZSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cncs1 ZINC000269066424 1022395134 /nfs/dbraw/zinc/39/51/34/1022395134.db2.gz LOJNFRAAYSSQSR-HLLBOEOZSA-N 2 2 315.486 3.704 20 0 DHADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000155727755 1022418229 /nfs/dbraw/zinc/41/82/29/1022418229.db2.gz GJXRSOHZUUJOSU-QGZVFWFLSA-N 2 2 305.853 3.784 20 0 DHADLP CCCOc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000315123166 1022625139 /nfs/dbraw/zinc/62/51/39/1022625139.db2.gz NXGIRGBEIKDBHB-MRXNPFEDSA-N 2 2 301.434 3.803 20 0 DHADLP Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000238072251 1022669986 /nfs/dbraw/zinc/66/99/86/1022669986.db2.gz HRZRLKMHFRCTKE-UHFFFAOYSA-N 2 2 313.788 3.521 20 0 DHADLP C[NH+](C)CCCC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180481813 1022743640 /nfs/dbraw/zinc/74/36/40/1022743640.db2.gz LDCKWWAMWQDURZ-UHFFFAOYSA-N 2 2 310.869 3.599 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cn1ccc(=S)c2ccccc21 ZINC000767755921 1022798288 /nfs/dbraw/zinc/79/82/88/1022798288.db2.gz NHTCFADALMDJEG-UHFFFAOYSA-N 2 2 312.442 3.547 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cn1ccc(=S)c2ccccc21 ZINC000767755921 1022798302 /nfs/dbraw/zinc/79/83/02/1022798302.db2.gz NHTCFADALMDJEG-UHFFFAOYSA-N 2 2 312.442 3.547 20 0 DHADLP Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000390252631 1022824488 /nfs/dbraw/zinc/82/44/88/1022824488.db2.gz MMJBGGNVMBYZNI-OLZOCXBDSA-N 2 2 310.401 3.889 20 0 DHADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCCO2 ZINC000768103684 1022886309 /nfs/dbraw/zinc/88/63/09/1022886309.db2.gz VIGZVEYYZMSWSZ-YJBOKZPZSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc2c(c1)CCCO2 ZINC000768103684 1022886322 /nfs/dbraw/zinc/88/63/22/1022886322.db2.gz VIGZVEYYZMSWSZ-YJBOKZPZSA-N 2 2 302.462 3.537 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OC(F)F)cc1 ZINC000163849467 1022932618 /nfs/dbraw/zinc/93/26/18/1022932618.db2.gz AKSQHBLFIUSSHO-ZDUSSCGKSA-N 2 2 321.371 3.836 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001167754256 1023048578 /nfs/dbraw/zinc/04/85/78/1023048578.db2.gz QATZWLAKDMVBGS-OAHLLOKOSA-N 2 2 316.424 3.688 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001167754256 1023048592 /nfs/dbraw/zinc/04/85/92/1023048592.db2.gz QATZWLAKDMVBGS-OAHLLOKOSA-N 2 2 316.424 3.688 20 0 DHADLP CCCC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000364392386 1023118252 /nfs/dbraw/zinc/11/82/52/1023118252.db2.gz SEPZHDAZXRZKNG-UHFFFAOYSA-N 2 2 304.482 3.609 20 0 DHADLP CCCC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000364392386 1023118261 /nfs/dbraw/zinc/11/82/61/1023118261.db2.gz SEPZHDAZXRZKNG-UHFFFAOYSA-N 2 2 304.482 3.609 20 0 DHADLP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000769871759 1023235991 /nfs/dbraw/zinc/23/59/91/1023235991.db2.gz CLXGAYJZNRYQMG-CYBMUJFWSA-N 2 2 310.401 3.582 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000769872269 1023236324 /nfs/dbraw/zinc/23/63/24/1023236324.db2.gz FKBQFZWFELFDHE-AWEZNQCLSA-N 2 2 319.493 3.993 20 0 DHADLP CC[N@H+](CCc1cccs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337653587 1033120950 /nfs/dbraw/zinc/12/09/50/1033120950.db2.gz GEJKZERLQVCGSS-UHFFFAOYSA-N 2 2 311.454 3.998 20 0 DHADLP CC[N@@H+](CCc1cccs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337653587 1033120956 /nfs/dbraw/zinc/12/09/56/1033120956.db2.gz GEJKZERLQVCGSS-UHFFFAOYSA-N 2 2 311.454 3.998 20 0 DHADLP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662372 1023368736 /nfs/dbraw/zinc/36/87/36/1023368736.db2.gz JBZGWVGBDNDYOF-FQEVSTJZSA-N 2 2 316.489 3.736 20 0 DHADLP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662372 1023368739 /nfs/dbraw/zinc/36/87/39/1023368739.db2.gz JBZGWVGBDNDYOF-FQEVSTJZSA-N 2 2 316.489 3.736 20 0 DHADLP COc1ccc(C(C)C)cc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662372 1023368746 /nfs/dbraw/zinc/36/87/46/1023368746.db2.gz JBZGWVGBDNDYOF-FQEVSTJZSA-N 2 2 316.489 3.736 20 0 DHADLP COc1ccc(C(C)C)cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662372 1023368750 /nfs/dbraw/zinc/36/87/50/1023368750.db2.gz JBZGWVGBDNDYOF-FQEVSTJZSA-N 2 2 316.489 3.736 20 0 DHADLP COCc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660675382 1023376440 /nfs/dbraw/zinc/37/64/40/1023376440.db2.gz JLCWVJARUNJWOY-UHFFFAOYSA-N 2 2 324.468 3.587 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3c1c(F)ccc3F)CCC2 ZINC000337705940 1033145306 /nfs/dbraw/zinc/14/53/06/1033145306.db2.gz JLQKZEBVYOXXJT-WBMJQRKESA-N 2 2 317.383 3.624 20 0 DHADLP CC[C@@H](C)OCC[C@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001172362553 1033141889 /nfs/dbraw/zinc/14/18/89/1033141889.db2.gz UHBAVFQRSMPOND-DLBZAZTESA-N 2 2 319.493 3.542 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cscn1 ZINC000661413234 1023592921 /nfs/dbraw/zinc/59/29/21/1023592921.db2.gz BZERRMSSVXKMFN-OAHLLOKOSA-N 2 2 315.486 3.980 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C[C@H]1C ZINC001172371583 1033152207 /nfs/dbraw/zinc/15/22/07/1033152207.db2.gz VDVQQBXTGYTVGL-MDZRGWNJSA-N 2 2 316.489 3.771 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000651949605 1023673766 /nfs/dbraw/zinc/67/37/66/1023673766.db2.gz PICZJSQCELXKGN-KRWDZBQOSA-N 2 2 320.452 3.892 20 0 DHADLP Cc1[nH+]cc(C[NH+]2CCc3ccccc3CC2)n1-c1ccccc1 ZINC000538732683 1033154014 /nfs/dbraw/zinc/15/40/14/1033154014.db2.gz IKDTXWSTSXSXFB-UHFFFAOYSA-N 2 2 317.436 3.782 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H](c1cccnc1)C1CCCCC1)CC2 ZINC000652190934 1023696750 /nfs/dbraw/zinc/69/67/50/1023696750.db2.gz DEBXEEWTRCSWRF-HKUYNNGSSA-N 2 2 310.445 3.504 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H](c1cccnc1)C1CCCCC1)C2 ZINC000652199744 1023701877 /nfs/dbraw/zinc/70/18/77/1023701877.db2.gz AZGUBGAVGICOOI-APWZRJJASA-N 2 2 310.445 3.573 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccccc1 ZINC000788500213 1023894467 /nfs/dbraw/zinc/89/44/67/1023894467.db2.gz ZJMLTWUCIOWVJS-CRAIPNDOSA-N 2 2 313.445 3.521 20 0 DHADLP C[N@H+](CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21)C1CCCCC1 ZINC000788504153 1023896573 /nfs/dbraw/zinc/89/65/73/1023896573.db2.gz GGCRMPZFZZCUER-MRXNPFEDSA-N 2 2 321.896 3.967 20 0 DHADLP C[N@@H+](CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21)C1CCCCC1 ZINC000788504153 1023896575 /nfs/dbraw/zinc/89/65/75/1023896575.db2.gz GGCRMPZFZZCUER-MRXNPFEDSA-N 2 2 321.896 3.967 20 0 DHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788537597 1023901740 /nfs/dbraw/zinc/90/17/40/1023901740.db2.gz CLTGVTVBKOKTGB-IJEWVQPXSA-N 2 2 321.896 3.680 20 0 DHADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788537597 1023901746 /nfs/dbraw/zinc/90/17/46/1023901746.db2.gz CLTGVTVBKOKTGB-IJEWVQPXSA-N 2 2 321.896 3.680 20 0 DHADLP C[C@@H]1CC[C@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C[C@@H]1C ZINC001172383285 1033171339 /nfs/dbraw/zinc/17/13/39/1033171339.db2.gz OPLBKCKWDFDUIL-YCPHGPKFSA-N 2 2 305.441 3.604 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000249437723 1023919657 /nfs/dbraw/zinc/91/96/57/1023919657.db2.gz IWWQJCUZXDOANM-PIKOESSRSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000249437723 1023919660 /nfs/dbraw/zinc/91/96/60/1023919660.db2.gz IWWQJCUZXDOANM-PIKOESSRSA-N 2 2 316.489 3.587 20 0 DHADLP Clc1ccccc1SCCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066176 1023921024 /nfs/dbraw/zinc/92/10/24/1023921024.db2.gz LDTPCEXWHXMTEY-ZFWWWQNUSA-N 2 2 310.894 3.506 20 0 DHADLP Clc1ccccc1SCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643066176 1023921019 /nfs/dbraw/zinc/92/10/19/1023921019.db2.gz LDTPCEXWHXMTEY-ZFWWWQNUSA-N 2 2 310.894 3.506 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC000531143651 1024034451 /nfs/dbraw/zinc/03/44/51/1024034451.db2.gz LCOFNONPJMBJMM-CJNGLKHVSA-N 2 2 310.869 3.653 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC000531143651 1024034466 /nfs/dbraw/zinc/03/44/66/1024034466.db2.gz LCOFNONPJMBJMM-CJNGLKHVSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC000531143651 1024034481 /nfs/dbraw/zinc/03/44/81/1024034481.db2.gz LCOFNONPJMBJMM-CJNGLKHVSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC000531143651 1024034499 /nfs/dbraw/zinc/03/44/99/1024034499.db2.gz LCOFNONPJMBJMM-CJNGLKHVSA-N 2 2 310.869 3.653 20 0 DHADLP c1ccc2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccnc2c1 ZINC000538798180 1033184835 /nfs/dbraw/zinc/18/48/35/1033184835.db2.gz QZXXDDKZQRGMGA-DYESRHJHSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)ccnc2c1 ZINC000538798180 1033184839 /nfs/dbraw/zinc/18/48/39/1033184839.db2.gz QZXXDDKZQRGMGA-DYESRHJHSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)ccnc2c1 ZINC000538798180 1033184845 /nfs/dbraw/zinc/18/48/45/1033184845.db2.gz QZXXDDKZQRGMGA-DYESRHJHSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccnc2c1 ZINC000538798180 1033184847 /nfs/dbraw/zinc/18/48/47/1033184847.db2.gz QZXXDDKZQRGMGA-DYESRHJHSA-N 2 2 321.468 3.684 20 0 DHADLP [NH3+]CCC[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000662310449 1024096985 /nfs/dbraw/zinc/09/69/85/1024096985.db2.gz KJJRULQDMPPONE-INIZCTEOSA-N 2 2 306.862 3.698 20 0 DHADLP [NH3+]CCC[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000662310449 1024097004 /nfs/dbraw/zinc/09/70/04/1024097004.db2.gz KJJRULQDMPPONE-INIZCTEOSA-N 2 2 306.862 3.698 20 0 DHADLP CC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001172397186 1033182131 /nfs/dbraw/zinc/18/21/31/1033182131.db2.gz JTNRVXZMMLSLLE-GVDBMIGSSA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001172397186 1033182137 /nfs/dbraw/zinc/18/21/37/1033182137.db2.gz JTNRVXZMMLSLLE-GVDBMIGSSA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001172397186 1033182139 /nfs/dbraw/zinc/18/21/39/1033182139.db2.gz JTNRVXZMMLSLLE-GVDBMIGSSA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001172397186 1033182142 /nfs/dbraw/zinc/18/21/42/1033182142.db2.gz JTNRVXZMMLSLLE-GVDBMIGSSA-N 2 2 321.534 3.864 20 0 DHADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC001170113653 1024139249 /nfs/dbraw/zinc/13/92/49/1024139249.db2.gz SVIQEIHHNQNRJU-KUHUBIRLSA-N 2 2 304.453 3.877 20 0 DHADLP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000268783638 1024158724 /nfs/dbraw/zinc/15/87/24/1024158724.db2.gz UZHMNXWXMWINEA-MRXNPFEDSA-N 2 2 323.444 3.560 20 0 DHADLP Cc1cc(C(F)(F)F)cc(NC2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000663347340 1024179064 /nfs/dbraw/zinc/17/90/64/1024179064.db2.gz WAKHCZQQUZJPAE-UHFFFAOYSA-N 2 2 301.356 3.694 20 0 DHADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000268851733 1024179817 /nfs/dbraw/zinc/17/98/17/1024179817.db2.gz WMPUGFLJUHWMGA-TZMCWYRMSA-N 2 2 309.360 3.614 20 0 DHADLP C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268987514 1024212126 /nfs/dbraw/zinc/21/21/26/1024212126.db2.gz LUMWPWKLILUJJO-OXQOHEQNSA-N 2 2 321.424 3.647 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cs1 ZINC000269418411 1024275121 /nfs/dbraw/zinc/27/51/21/1024275121.db2.gz LBIHVYVTNIQCAC-LLVKDONJSA-N 2 2 307.438 3.503 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883207162 1024287210 /nfs/dbraw/zinc/28/72/10/1024287210.db2.gz HHUDRBMIGWCMRD-QFBILLFUSA-N 2 2 313.489 3.919 20 0 DHADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccncc1 ZINC000453070480 1024298351 /nfs/dbraw/zinc/29/83/51/1024298351.db2.gz CJPKBNKZJOYMCN-IBGZPJMESA-N 2 2 320.440 3.610 20 0 DHADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC(F)F ZINC000883251159 1024321258 /nfs/dbraw/zinc/32/12/58/1024321258.db2.gz FKPFYGSWAWUQHS-UHFFFAOYSA-N 2 2 316.358 3.674 20 0 DHADLP CC(C)OCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172454889 1033209074 /nfs/dbraw/zinc/20/90/74/1033209074.db2.gz NSRYKEMIMOGPJC-MRXNPFEDSA-N 2 2 301.434 3.508 20 0 DHADLP CC(C)OCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172454889 1033209090 /nfs/dbraw/zinc/20/90/90/1033209090.db2.gz NSRYKEMIMOGPJC-MRXNPFEDSA-N 2 2 301.434 3.508 20 0 DHADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@@]1(C)CCCO1 ZINC000453233071 1024416239 /nfs/dbraw/zinc/41/62/39/1024416239.db2.gz JKCJQCFGLBIIME-CXAGYDPISA-N 2 2 319.836 3.573 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000453234774 1024418330 /nfs/dbraw/zinc/41/83/30/1024418330.db2.gz YRXDBIGQMMXUPY-FUHWJXTLSA-N 2 2 303.494 3.503 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000453234774 1024418337 /nfs/dbraw/zinc/41/83/37/1024418337.db2.gz YRXDBIGQMMXUPY-FUHWJXTLSA-N 2 2 303.494 3.503 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCC12CCC2 ZINC000453235454 1024418949 /nfs/dbraw/zinc/41/89/49/1024418949.db2.gz LSOBPULJXRNEAT-MRXNPFEDSA-N 2 2 301.821 3.948 20 0 DHADLP c1cn(C[C@H]([NH2+][C@@H]2CCCc3occc32)c2ccccc2)c[nH+]1 ZINC000883387638 1024419484 /nfs/dbraw/zinc/41/94/84/1024419484.db2.gz AWIMZRYAPPJKSM-MSOLQXFVSA-N 2 2 307.397 3.885 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000883387361 1024419685 /nfs/dbraw/zinc/41/96/85/1024419685.db2.gz WXVDRZMCKGXDEA-UZLBHIALSA-N 2 2 321.424 3.984 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1Cl ZINC000925778781 1024433911 /nfs/dbraw/zinc/43/39/11/1024433911.db2.gz KYWUEIBAKBNTKX-NXEZZACHSA-N 2 2 323.214 3.889 20 0 DHADLP c1c[nH+]c(C2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)[nH]1 ZINC000271168258 1024464473 /nfs/dbraw/zinc/46/44/73/1024464473.db2.gz CNSFGZWPRDIWDG-UHFFFAOYSA-N 2 2 318.424 3.851 20 0 DHADLP c1c[nH+]c(C2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)[nH]1 ZINC000271201126 1024470724 /nfs/dbraw/zinc/47/07/24/1024470724.db2.gz QMFDRXBEHJREIM-UHFFFAOYSA-N 2 2 324.453 3.913 20 0 DHADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)nc1 ZINC000453426836 1024520144 /nfs/dbraw/zinc/52/01/44/1024520144.db2.gz OFYFJQGACNYZSU-GHTZIAJQSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)nc1 ZINC000453426836 1024520151 /nfs/dbraw/zinc/52/01/51/1024520151.db2.gz OFYFJQGACNYZSU-GHTZIAJQSA-N 2 2 323.484 3.575 20 0 DHADLP CC[C@@]1(C(C)C)C[C@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000453614622 1024555282 /nfs/dbraw/zinc/55/52/82/1024555282.db2.gz PYUCTDOCENQJBD-AEFFLSMTSA-N 2 2 321.534 3.824 20 0 DHADLP CC[C@@]1(C(C)C)C[C@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000453614622 1024555288 /nfs/dbraw/zinc/55/52/88/1024555288.db2.gz PYUCTDOCENQJBD-AEFFLSMTSA-N 2 2 321.534 3.824 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+]CC[N@@H+]3CC[C@@H](C)C3)ccc2c1 ZINC000532239239 1024587084 /nfs/dbraw/zinc/58/70/84/1024587084.db2.gz YRWNDFMWXJAJSI-HZPDHXFCSA-N 2 2 312.457 3.841 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+]CC[N@H+]3CC[C@@H](C)C3)ccc2c1 ZINC000532239239 1024587091 /nfs/dbraw/zinc/58/70/91/1024587091.db2.gz YRWNDFMWXJAJSI-HZPDHXFCSA-N 2 2 312.457 3.841 20 0 DHADLP Cc1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)o1 ZINC000585748527 1024591781 /nfs/dbraw/zinc/59/17/81/1024591781.db2.gz WIZSNEMWXYDWME-UHFFFAOYSA-N 2 2 307.397 3.938 20 0 DHADLP Cc1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)o1 ZINC000585748527 1024591793 /nfs/dbraw/zinc/59/17/93/1024591793.db2.gz WIZSNEMWXYDWME-UHFFFAOYSA-N 2 2 307.397 3.938 20 0 DHADLP C[C@@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001170161551 1024610816 /nfs/dbraw/zinc/61/08/16/1024610816.db2.gz OYVVXWJZGMBTDP-BEFAXECRSA-N 2 2 304.453 3.911 20 0 DHADLP C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001170161551 1024610821 /nfs/dbraw/zinc/61/08/21/1024610821.db2.gz OYVVXWJZGMBTDP-BEFAXECRSA-N 2 2 304.453 3.911 20 0 DHADLP CO[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000283225551 1024613185 /nfs/dbraw/zinc/61/31/85/1024613185.db2.gz SZNONRWKGMUZRL-GDBMZVCRSA-N 2 2 319.836 3.630 20 0 DHADLP CO[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000283225551 1024613194 /nfs/dbraw/zinc/61/31/94/1024613194.db2.gz SZNONRWKGMUZRL-GDBMZVCRSA-N 2 2 319.836 3.630 20 0 DHADLP CCCO[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000108392134 1024639111 /nfs/dbraw/zinc/63/91/11/1024639111.db2.gz UNIJJECPLFBUHG-IBGZPJMESA-N 2 2 313.445 3.653 20 0 DHADLP CCCO[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000108392134 1024639116 /nfs/dbraw/zinc/63/91/16/1024639116.db2.gz UNIJJECPLFBUHG-IBGZPJMESA-N 2 2 313.445 3.653 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000108370547 1024639677 /nfs/dbraw/zinc/63/96/77/1024639677.db2.gz KMZBAANAYSLUOH-UHFFFAOYSA-N 2 2 312.457 3.681 20 0 DHADLP Clc1c[nH+]ccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278969546 1024652063 /nfs/dbraw/zinc/65/20/63/1024652063.db2.gz ZCHYUIPNSQNHOK-UHFFFAOYSA-N 2 2 316.836 3.652 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(OC2CCCC2)c1 ZINC000349381601 1024711112 /nfs/dbraw/zinc/71/11/12/1024711112.db2.gz HIOUHZIUHWZWGQ-UHFFFAOYSA-N 2 2 313.445 3.727 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(OC2CCCC2)c1 ZINC000349381601 1024711124 /nfs/dbraw/zinc/71/11/24/1024711124.db2.gz HIOUHZIUHWZWGQ-UHFFFAOYSA-N 2 2 313.445 3.727 20 0 DHADLP CCCCOc1ccccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349422281 1024715875 /nfs/dbraw/zinc/71/58/75/1024715875.db2.gz UQINUVSYNWPXMS-UHFFFAOYSA-N 2 2 301.434 3.584 20 0 DHADLP CCCCOc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349422281 1024715890 /nfs/dbraw/zinc/71/58/90/1024715890.db2.gz UQINUVSYNWPXMS-UHFFFAOYSA-N 2 2 301.434 3.584 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000340353628 1024718097 /nfs/dbraw/zinc/71/80/97/1024718097.db2.gz ZTZQIUBTIYOYEB-JVPBZIDWSA-N 2 2 313.420 3.707 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cncc(F)c1 ZINC000340353628 1024718111 /nfs/dbraw/zinc/71/81/11/1024718111.db2.gz ZTZQIUBTIYOYEB-JVPBZIDWSA-N 2 2 313.420 3.707 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+]CC1(OC)CCCC1)c1ccccc1 ZINC000319802627 1024745943 /nfs/dbraw/zinc/74/59/43/1024745943.db2.gz GOBMNMKMLTYCFE-SFHVURJKSA-N 2 2 304.478 3.618 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000349964689 1024774510 /nfs/dbraw/zinc/77/45/10/1024774510.db2.gz KKJYGBJPAVXZOK-AEFFLSMTSA-N 2 2 319.493 3.535 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000349964689 1024774518 /nfs/dbraw/zinc/77/45/18/1024774518.db2.gz KKJYGBJPAVXZOK-AEFFLSMTSA-N 2 2 319.493 3.535 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)CC[N@@H+]1C ZINC000168533315 1024782903 /nfs/dbraw/zinc/78/29/03/1024782903.db2.gz KVRLSCUFMDDLNQ-BEVDRBHNSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(F)c2)CC[N@H+]1C ZINC000168533315 1024782917 /nfs/dbraw/zinc/78/29/17/1024782917.db2.gz KVRLSCUFMDDLNQ-BEVDRBHNSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+]CC2(C)CCC2)CCOCC1)c1ccccc1 ZINC000434756411 1024943066 /nfs/dbraw/zinc/94/30/66/1024943066.db2.gz MWTSXTBPOVSTBO-KRWDZBQOSA-N 2 2 316.489 3.666 20 0 DHADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC000353321380 1025027386 /nfs/dbraw/zinc/02/73/86/1025027386.db2.gz PRWVOKBLLYSKMQ-IBGZPJMESA-N 2 2 313.445 3.653 20 0 DHADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1CCCCO1 ZINC000353321380 1025027393 /nfs/dbraw/zinc/02/73/93/1025027393.db2.gz PRWVOKBLLYSKMQ-IBGZPJMESA-N 2 2 313.445 3.653 20 0 DHADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sccc2Br)C1 ZINC000037644640 1025055682 /nfs/dbraw/zinc/05/56/82/1025055682.db2.gz CMMNYTXBTCBONU-QWRGUYRKSA-N 2 2 317.296 3.503 20 0 DHADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sccc2Br)C1 ZINC000037644640 1025055695 /nfs/dbraw/zinc/05/56/95/1025055695.db2.gz CMMNYTXBTCBONU-QWRGUYRKSA-N 2 2 317.296 3.503 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000353559052 1025129317 /nfs/dbraw/zinc/12/93/17/1025129317.db2.gz KNDLCPGHNDKTIQ-BEFAXECRSA-N 2 2 322.456 3.677 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000353559052 1025129322 /nfs/dbraw/zinc/12/93/22/1025129322.db2.gz KNDLCPGHNDKTIQ-BEFAXECRSA-N 2 2 322.456 3.677 20 0 DHADLP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000436439139 1025138543 /nfs/dbraw/zinc/13/85/43/1025138543.db2.gz LRPQKVIPOFMOQA-DOTOQJQBSA-N 2 2 316.836 3.604 20 0 DHADLP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000436439139 1025138552 /nfs/dbraw/zinc/13/85/52/1025138552.db2.gz LRPQKVIPOFMOQA-DOTOQJQBSA-N 2 2 316.836 3.604 20 0 DHADLP FC(F)c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000279673760 1025138906 /nfs/dbraw/zinc/13/89/06/1025138906.db2.gz FVJSAVHPSMNLPW-MRXNPFEDSA-N 2 2 308.416 3.932 20 0 DHADLP FC(F)c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000279673760 1025138921 /nfs/dbraw/zinc/13/89/21/1025138921.db2.gz FVJSAVHPSMNLPW-MRXNPFEDSA-N 2 2 308.416 3.932 20 0 DHADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172568432 1033261565 /nfs/dbraw/zinc/26/15/65/1033261565.db2.gz QRFSEFKXYLVTRP-AAEUAGOBSA-N 2 2 316.823 3.623 20 0 DHADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172568432 1033261573 /nfs/dbraw/zinc/26/15/73/1033261573.db2.gz QRFSEFKXYLVTRP-AAEUAGOBSA-N 2 2 316.823 3.623 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353598406 1025146027 /nfs/dbraw/zinc/14/60/27/1025146027.db2.gz UEGIHQGAIGDFGR-CQSZACIVSA-N 2 2 317.396 3.599 20 0 DHADLP C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353668213 1025185482 /nfs/dbraw/zinc/18/54/82/1025185482.db2.gz WTVZYIFSLGAFOO-INIZCTEOSA-N 2 2 303.409 3.819 20 0 DHADLP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353668213 1025185490 /nfs/dbraw/zinc/18/54/90/1025185490.db2.gz WTVZYIFSLGAFOO-INIZCTEOSA-N 2 2 303.409 3.819 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319232924 1025196184 /nfs/dbraw/zinc/19/61/84/1025196184.db2.gz OXFKPPSPJZFZKI-YOEHRIQHSA-N 2 2 303.425 3.658 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(F)F)C[C@@H]1C ZINC000353753699 1025238251 /nfs/dbraw/zinc/23/82/51/1025238251.db2.gz XTBKAAZRBTZJAG-DZGCQCFKSA-N 2 2 312.404 3.593 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(F)F)C[C@@H]1C ZINC000353753699 1025238253 /nfs/dbraw/zinc/23/82/53/1025238253.db2.gz XTBKAAZRBTZJAG-DZGCQCFKSA-N 2 2 312.404 3.593 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OC(F)F)C[C@@H]1C ZINC000353753699 1025238265 /nfs/dbraw/zinc/23/82/65/1025238265.db2.gz XTBKAAZRBTZJAG-DZGCQCFKSA-N 2 2 312.404 3.593 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(F)F)C[C@@H]1C ZINC000353753699 1025238273 /nfs/dbraw/zinc/23/82/73/1025238273.db2.gz XTBKAAZRBTZJAG-DZGCQCFKSA-N 2 2 312.404 3.593 20 0 DHADLP COc1ccccc1C[NH+]1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC001168196775 1025242138 /nfs/dbraw/zinc/24/21/38/1025242138.db2.gz QXRNSBQJILJHGC-UHFFFAOYSA-N 2 2 316.489 3.828 20 0 DHADLP Clc1ccc2c(NCCCCn3cc[nH+]c3)cc[nH+]c2c1 ZINC000045108316 1025259092 /nfs/dbraw/zinc/25/90/92/1025259092.db2.gz FUSUCNQDDOHNNN-UHFFFAOYSA-N 2 2 300.793 3.977 20 0 DHADLP CC1CCC([N@@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001168214978 1025329249 /nfs/dbraw/zinc/32/92/49/1025329249.db2.gz JVZKKOFFDVNCRK-MYBQVCMBSA-N 2 2 319.518 3.618 20 0 DHADLP CC1CCC([N@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001168214978 1025329254 /nfs/dbraw/zinc/32/92/54/1025329254.db2.gz JVZKKOFFDVNCRK-MYBQVCMBSA-N 2 2 319.518 3.618 20 0 DHADLP CC1CCC([NH+]2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001168214978 1025329263 /nfs/dbraw/zinc/32/92/63/1025329263.db2.gz JVZKKOFFDVNCRK-MYBQVCMBSA-N 2 2 319.518 3.618 20 0 DHADLP CC1CCC([NH+]2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001168214978 1025329275 /nfs/dbraw/zinc/32/92/75/1025329275.db2.gz JVZKKOFFDVNCRK-MYBQVCMBSA-N 2 2 319.518 3.618 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ccc(F)cn1)C(C)C)CCC2 ZINC000354089711 1025347860 /nfs/dbraw/zinc/34/78/60/1025347860.db2.gz FPLHQKWJWUWQHB-WMLDXEAASA-N 2 2 316.424 3.590 20 0 DHADLP CC[N@H+](Cc1ccc2cccc(Cl)c2n1)C1CC[NH+](C)CC1 ZINC001137225201 1025467041 /nfs/dbraw/zinc/46/70/41/1025467041.db2.gz ZONLPMKESRRVIB-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP CC[N@@H+](Cc1ccc2cccc(Cl)c2n1)C1CC[NH+](C)CC1 ZINC001137225201 1025467059 /nfs/dbraw/zinc/46/70/59/1025467059.db2.gz ZONLPMKESRRVIB-UHFFFAOYSA-N 2 2 317.864 3.804 20 0 DHADLP C[NH+](C)CCOc1cccc(Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001212807041 1025489497 /nfs/dbraw/zinc/48/94/97/1025489497.db2.gz HMWRXFWOOZFLLB-UHFFFAOYSA-N 2 2 322.412 3.556 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000130944023 1025676121 /nfs/dbraw/zinc/67/61/21/1025676121.db2.gz JXGOBQBPMJHZKC-PXNSSMCTSA-N 2 2 313.489 3.772 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000130944023 1025676126 /nfs/dbraw/zinc/67/61/26/1025676126.db2.gz JXGOBQBPMJHZKC-PXNSSMCTSA-N 2 2 313.489 3.772 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000886528249 1025679734 /nfs/dbraw/zinc/67/97/34/1025679734.db2.gz JDWPBZHBJLTGKP-OXQOHEQNSA-N 2 2 321.468 3.884 20 0 DHADLP Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000886612130 1025736133 /nfs/dbraw/zinc/73/61/33/1025736133.db2.gz CTIJQUBPYKWALV-PXAZEXFGSA-N 2 2 324.403 3.555 20 0 DHADLP Clc1ccc2c(n1)CC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000806134462 1025777593 /nfs/dbraw/zinc/77/75/93/1025777593.db2.gz YRYCEJQHHLQZES-HNNXBMFYSA-N 2 2 324.815 3.698 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)c2ccccc21 ZINC000262332468 1025798999 /nfs/dbraw/zinc/79/89/99/1025798999.db2.gz SOHHUVQNZMPULP-HOTGVXAUSA-N 2 2 306.331 3.940 20 0 DHADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000411378403 1025975602 /nfs/dbraw/zinc/97/56/02/1025975602.db2.gz AIDPJQAVDVSEPL-INIZCTEOSA-N 2 2 306.413 3.646 20 0 DHADLP Cc1ccc2ncc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2c1 ZINC000411378403 1025975617 /nfs/dbraw/zinc/97/56/17/1025975617.db2.gz AIDPJQAVDVSEPL-INIZCTEOSA-N 2 2 306.413 3.646 20 0 DHADLP Fc1cc(C[NH2+]Cc2cccc3[nH]ccc32)ccc1-n1cc[nH+]c1 ZINC000237851887 1026020564 /nfs/dbraw/zinc/02/05/64/1026020564.db2.gz XHAJWXBAQHJJBV-UHFFFAOYSA-N 2 2 320.371 3.783 20 0 DHADLP c1ccc(COCCCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000924875123 1026049015 /nfs/dbraw/zinc/04/90/15/1026049015.db2.gz AEZOCWCWVZOYSU-VQTJNVASSA-N 2 2 316.489 3.590 20 0 DHADLP c1ccc(COCCCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000924875123 1026049031 /nfs/dbraw/zinc/04/90/31/1026049031.db2.gz AEZOCWCWVZOYSU-VQTJNVASSA-N 2 2 316.489 3.590 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000513506256 1026526098 /nfs/dbraw/zinc/52/60/98/1026526098.db2.gz PHIPLNWGYZJVTL-KRWDZBQOSA-N 2 2 308.416 3.662 20 0 DHADLP CC[N@H+](Cc1coc(C2CC2)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739255 1026611294 /nfs/dbraw/zinc/61/12/94/1026611294.db2.gz DDCMWZRSQGALAH-UHFFFAOYSA-N 2 2 313.445 3.636 20 0 DHADLP CC[N@@H+](Cc1coc(C2CC2)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739255 1026611296 /nfs/dbraw/zinc/61/12/96/1026611296.db2.gz DDCMWZRSQGALAH-UHFFFAOYSA-N 2 2 313.445 3.636 20 0 DHADLP C[N@H+](Cc1nc(-c2ccccc2Cl)cs1)CC(C)(C)C[NH3+] ZINC000420297368 1026796473 /nfs/dbraw/zinc/79/64/73/1026796473.db2.gz YSJSDGVWEQSXDW-UHFFFAOYSA-N 2 2 323.893 3.880 20 0 DHADLP C[N@@H+](Cc1nc(-c2ccccc2Cl)cs1)CC(C)(C)C[NH3+] ZINC000420297368 1026796483 /nfs/dbraw/zinc/79/64/83/1026796483.db2.gz YSJSDGVWEQSXDW-UHFFFAOYSA-N 2 2 323.893 3.880 20 0 DHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nc(C4CCCCC4)cs3)C[C@@H]2C1 ZINC000931439275 1027122826 /nfs/dbraw/zinc/12/28/26/1027122826.db2.gz SRMBKXIOKUVUOQ-CVEARBPZSA-N 2 2 319.518 3.574 20 0 DHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nc(C4CCCCC4)cs3)C[C@@H]2C1 ZINC000931439275 1027122833 /nfs/dbraw/zinc/12/28/33/1027122833.db2.gz SRMBKXIOKUVUOQ-CVEARBPZSA-N 2 2 319.518 3.574 20 0 DHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nc(C4CCCCC4)cs3)C[C@@H]2C1 ZINC000931439275 1027122838 /nfs/dbraw/zinc/12/28/38/1027122838.db2.gz SRMBKXIOKUVUOQ-CVEARBPZSA-N 2 2 319.518 3.574 20 0 DHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nc(C4CCCCC4)cs3)C[C@@H]2C1 ZINC000931439275 1027122847 /nfs/dbraw/zinc/12/28/47/1027122847.db2.gz SRMBKXIOKUVUOQ-CVEARBPZSA-N 2 2 319.518 3.574 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000295266326 1027166723 /nfs/dbraw/zinc/16/67/23/1027166723.db2.gz VGOPICNCUJOQHI-AEFFLSMTSA-N 2 2 316.489 3.807 20 0 DHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000272053505 1027209154 /nfs/dbraw/zinc/20/91/54/1027209154.db2.gz ZZLMZEGBHQLFJV-ZDUSSCGKSA-N 2 2 311.351 3.985 20 0 DHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000272053505 1027209167 /nfs/dbraw/zinc/20/91/67/1027209167.db2.gz ZZLMZEGBHQLFJV-ZDUSSCGKSA-N 2 2 311.351 3.985 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647924965 1027238550 /nfs/dbraw/zinc/23/85/50/1027238550.db2.gz YUYSVRIKCIGSGU-CQSZACIVSA-N 2 2 311.267 3.713 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000362527946 1027266259 /nfs/dbraw/zinc/26/62/59/1027266259.db2.gz HOCSJNYGHSMHOC-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000362527946 1027266269 /nfs/dbraw/zinc/26/62/69/1027266269.db2.gz HOCSJNYGHSMHOC-ZDUSSCGKSA-N 2 2 321.827 3.667 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(C3CCCC3)n2)C[C@@H]1C[NH3+] ZINC000422634454 1027291530 /nfs/dbraw/zinc/29/15/30/1027291530.db2.gz JRHTYCXJBHXNQC-NFAWXSAZSA-N 2 2 307.507 3.606 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(C3CCCC3)n2)C[C@@H]1C[NH3+] ZINC000422634454 1027291543 /nfs/dbraw/zinc/29/15/43/1027291543.db2.gz JRHTYCXJBHXNQC-NFAWXSAZSA-N 2 2 307.507 3.606 20 0 DHADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000573513757 1027301779 /nfs/dbraw/zinc/30/17/79/1027301779.db2.gz CUPNHHGINSNFTL-GOEBONIOSA-N 2 2 301.409 3.926 20 0 DHADLP CC(C)Sc1ccc([C@@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422717042 1027302444 /nfs/dbraw/zinc/30/24/44/1027302444.db2.gz OBQUIHZMAFTEHD-INMHGKMJSA-N 2 2 322.518 3.605 20 0 DHADLP Fc1cc(F)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422809518 1027330295 /nfs/dbraw/zinc/33/02/95/1027330295.db2.gz RXRLSXJDMSIKEQ-QZTJIDSGSA-N 2 2 302.368 3.548 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1c[nH+]ccc1N ZINC000422853551 1027341587 /nfs/dbraw/zinc/34/15/87/1027341587.db2.gz ZCMUAWHKYLPWND-BMIGLBTASA-N 2 2 303.406 3.521 20 0 DHADLP COc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422888373 1027349022 /nfs/dbraw/zinc/34/90/22/1027349022.db2.gz MYYFVKKHMOZLMX-JKSUJKDBSA-N 2 2 302.805 3.583 20 0 DHADLP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422886957 1027350416 /nfs/dbraw/zinc/35/04/16/1027350416.db2.gz AFJHFAIXNCKFFW-RRFJBIMHSA-N 2 2 307.507 3.667 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(OC(F)F)c2)c2ccccc21 ZINC000422944649 1027374796 /nfs/dbraw/zinc/37/47/96/1027374796.db2.gz LTLBMPZFAUTBBK-CVEARBPZSA-N 2 2 304.340 3.522 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423005096 1027389042 /nfs/dbraw/zinc/38/90/42/1027389042.db2.gz QRCMMLGLKRCTGG-IAGOWNOFSA-N 2 2 316.832 3.973 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3cc(F)ccc32)c2ccccc21 ZINC000423042941 1027401464 /nfs/dbraw/zinc/40/14/64/1027401464.db2.gz MRLHKOZGKATADQ-KURKYZTESA-N 2 2 312.388 3.774 20 0 DHADLP COc1ccc([C@@H]([NH2+]CCCCCSC)[C@@H]2CCC[NH2+]2)cc1 ZINC000423056941 1027403151 /nfs/dbraw/zinc/40/31/51/1027403151.db2.gz YJOGEWSGYVPQQY-ZWKOTPCHSA-N 2 2 322.518 3.611 20 0 DHADLP [NH3+]CC[NH2+][C@H](CCSc1ccc(F)cc1)c1ccc(F)cc1 ZINC000423189256 1027448556 /nfs/dbraw/zinc/44/85/56/1027448556.db2.gz QTVKIROXGMRQEG-QGZVFWFLSA-N 2 2 322.424 3.737 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423212055 1027449153 /nfs/dbraw/zinc/44/91/53/1027449153.db2.gz LNBRSYFTFWNPGW-OLZOCXBDSA-N 2 2 319.449 3.599 20 0 DHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423193003 1027453010 /nfs/dbraw/zinc/45/30/10/1027453010.db2.gz QMFRPJKGGKAIKR-ABAIWWIYSA-N 2 2 319.449 3.660 20 0 DHADLP C[NH2+]CCC[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423200532 1027453033 /nfs/dbraw/zinc/45/30/33/1027453033.db2.gz MJBUFKMOAWUUEN-FQEVSTJZSA-N 2 2 323.415 3.662 20 0 DHADLP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1SC ZINC000423233983 1027455553 /nfs/dbraw/zinc/45/55/53/1027455553.db2.gz FFFPHTFYXZSIKC-CZUORRHYSA-N 2 2 316.470 3.768 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(OCc2ccccc2)c1 ZINC000423240397 1027460232 /nfs/dbraw/zinc/46/02/32/1027460232.db2.gz TUUTVLKVFDEUFG-VQIMIIECSA-N 2 2 310.441 3.668 20 0 DHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCCO2 ZINC000423232946 1027469565 /nfs/dbraw/zinc/46/95/65/1027469565.db2.gz CVAAKEGKJZMBEE-OALUTQOASA-N 2 2 310.441 3.807 20 0 DHADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3)c1ccccc1 ZINC000423248732 1027475201 /nfs/dbraw/zinc/47/52/01/1027475201.db2.gz SDZKXMHMXNMUTP-VQTJNVASSA-N 2 2 322.452 3.679 20 0 DHADLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000423293565 1027485392 /nfs/dbraw/zinc/48/53/92/1027485392.db2.gz RSZSYZWIEQIACV-HZPDHXFCSA-N 3 2 320.440 3.743 20 0 DHADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423321426 1027499540 /nfs/dbraw/zinc/49/95/40/1027499540.db2.gz HKNYYLBDDDIAKU-NXEZZACHSA-N 2 2 309.866 3.770 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc2cc(Br)ccc2o1 ZINC000423335896 1027513011 /nfs/dbraw/zinc/51/30/11/1027513011.db2.gz UIMJCZPBBRHGEY-SNVBAGLBSA-N 2 2 323.234 3.727 20 0 DHADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000423481517 1027563362 /nfs/dbraw/zinc/56/33/62/1027563362.db2.gz WTUQASNZPZSSME-JOYOIKCWSA-N 2 2 311.223 3.583 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000423498226 1027564248 /nfs/dbraw/zinc/56/42/48/1027564248.db2.gz HVBLGOZSHOXXPD-JLTOFOAXSA-N 2 2 310.441 3.630 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000423494584 1027573941 /nfs/dbraw/zinc/57/39/41/1027573941.db2.gz AYLHCPGLPKHXGP-YSGRDPCXSA-N 2 2 312.457 3.615 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000319728288 1027588387 /nfs/dbraw/zinc/58/83/87/1027588387.db2.gz BRCIZPMETWDNOV-DYVFJYSZSA-N 2 2 319.424 3.796 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363543657 1027669970 /nfs/dbraw/zinc/66/99/70/1027669970.db2.gz FVDZTABFATUSOD-NWANDNLSSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363543657 1027669975 /nfs/dbraw/zinc/66/99/75/1027669975.db2.gz FVDZTABFATUSOD-NWANDNLSSA-N 2 2 308.853 3.626 20 0 DHADLP CCCCOc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000577147030 1027713410 /nfs/dbraw/zinc/71/34/10/1027713410.db2.gz XBHCJISZSFODSB-DFNIBXOVSA-N 2 2 316.489 3.923 20 0 DHADLP CCCCOc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000577147030 1027713429 /nfs/dbraw/zinc/71/34/29/1027713429.db2.gz XBHCJISZSFODSB-DFNIBXOVSA-N 2 2 316.489 3.923 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000577147030 1027713446 /nfs/dbraw/zinc/71/34/46/1027713446.db2.gz XBHCJISZSFODSB-DFNIBXOVSA-N 2 2 316.489 3.923 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000577147030 1027713461 /nfs/dbraw/zinc/71/34/61/1027713461.db2.gz XBHCJISZSFODSB-DFNIBXOVSA-N 2 2 316.489 3.923 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527636266 1027795354 /nfs/dbraw/zinc/79/53/54/1027795354.db2.gz SCSLRBVZWBKWCB-UHFFFAOYSA-N 2 2 320.424 3.977 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@@H](c3ccccn3)C3CCC3)cc2)c[nH+]1 ZINC000527774406 1027889617 /nfs/dbraw/zinc/88/96/17/1027889617.db2.gz UREYOJMEGCSNTR-HXUWFJFHSA-N 2 2 318.424 3.898 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1F ZINC000527813602 1027899425 /nfs/dbraw/zinc/89/94/25/1027899425.db2.gz YRLAWKHQDJLWSJ-CWDCEQMOSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1F ZINC000527813602 1027899444 /nfs/dbraw/zinc/89/94/44/1027899444.db2.gz YRLAWKHQDJLWSJ-CWDCEQMOSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000527846390 1027910543 /nfs/dbraw/zinc/91/05/43/1027910543.db2.gz FSPUAKSAUXWZOA-IKGGRYGDSA-N 2 2 308.828 3.683 20 0 DHADLP Fc1cc2c(cc1Cl)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000527846390 1027910556 /nfs/dbraw/zinc/91/05/56/1027910556.db2.gz FSPUAKSAUXWZOA-IKGGRYGDSA-N 2 2 308.828 3.683 20 0 DHADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cccnc1 ZINC000527944337 1027978104 /nfs/dbraw/zinc/97/81/04/1027978104.db2.gz CQNDLPDQEBATMQ-RTBURBONSA-N 2 2 301.478 3.775 20 0 DHADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cccnc1 ZINC000527944337 1027978115 /nfs/dbraw/zinc/97/81/15/1027978115.db2.gz CQNDLPDQEBATMQ-RTBURBONSA-N 2 2 301.478 3.775 20 0 DHADLP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527945242 1027980488 /nfs/dbraw/zinc/98/04/88/1027980488.db2.gz FBXILJWGJCWPJA-RDJZCZTQSA-N 2 2 323.484 3.632 20 0 DHADLP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527945242 1027980501 /nfs/dbraw/zinc/98/05/01/1027980501.db2.gz FBXILJWGJCWPJA-RDJZCZTQSA-N 2 2 323.484 3.632 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000365613364 1027983103 /nfs/dbraw/zinc/98/31/03/1027983103.db2.gz PAWGKNSWRBDWKT-SMDDNHRTSA-N 2 2 323.362 3.679 20 0 DHADLP c1ccc2c(c1)cc[nH+]c2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000527930904 1027992676 /nfs/dbraw/zinc/99/26/76/1027992676.db2.gz JVWQCFUAORADBW-VQIMIIECSA-N 2 2 307.441 3.688 20 0 DHADLP c1ccc2c(c1)cc[nH+]c2N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000527930904 1027992691 /nfs/dbraw/zinc/99/26/91/1027992691.db2.gz JVWQCFUAORADBW-VQIMIIECSA-N 2 2 307.441 3.688 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527981512 1028002148 /nfs/dbraw/zinc/00/21/48/1028002148.db2.gz KFBNTHWMJFQFIW-WSTZPKSXSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527981512 1028002168 /nfs/dbraw/zinc/00/21/68/1028002168.db2.gz KFBNTHWMJFQFIW-WSTZPKSXSA-N 2 2 313.489 3.628 20 0 DHADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1F ZINC000528014962 1028041651 /nfs/dbraw/zinc/04/16/51/1028041651.db2.gz WDYZQRLORCVQCR-CZUORRHYSA-N 2 2 306.425 3.502 20 0 DHADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1F ZINC000528014962 1028041666 /nfs/dbraw/zinc/04/16/66/1028041666.db2.gz WDYZQRLORCVQCR-CZUORRHYSA-N 2 2 306.425 3.502 20 0 DHADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1F ZINC000528014960 1028043761 /nfs/dbraw/zinc/04/37/61/1028043761.db2.gz WDYZQRLORCVQCR-CJNGLKHVSA-N 2 2 306.425 3.502 20 0 DHADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1F ZINC000528014960 1028043771 /nfs/dbraw/zinc/04/37/71/1028043771.db2.gz WDYZQRLORCVQCR-CJNGLKHVSA-N 2 2 306.425 3.502 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCOc3ccccc31)CCC2 ZINC000366207921 1028060512 /nfs/dbraw/zinc/06/05/12/1028060512.db2.gz FQVUTKXJTAUECZ-DOTOQJQBSA-N 2 2 311.429 3.572 20 0 DHADLP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1SC ZINC000366278483 1028073738 /nfs/dbraw/zinc/07/37/38/1028073738.db2.gz FAPRDFKRBBEKNF-UHFFFAOYSA-N 2 2 320.502 3.524 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000367063912 1028129935 /nfs/dbraw/zinc/12/99/35/1028129935.db2.gz APFQPSOMZRLKGQ-HFTRVMKXSA-N 2 2 324.896 3.736 20 0 DHADLP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000367063912 1028129938 /nfs/dbraw/zinc/12/99/38/1028129938.db2.gz APFQPSOMZRLKGQ-HFTRVMKXSA-N 2 2 324.896 3.736 20 0 DHADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000563644443 1028144462 /nfs/dbraw/zinc/14/44/62/1028144462.db2.gz OFHMTPKPPDIZFF-MRXNPFEDSA-N 2 2 314.429 3.892 20 0 DHADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000563644443 1028144470 /nfs/dbraw/zinc/14/44/70/1028144470.db2.gz OFHMTPKPPDIZFF-MRXNPFEDSA-N 2 2 314.429 3.892 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc12 ZINC000367999522 1028273378 /nfs/dbraw/zinc/27/33/78/1028273378.db2.gz WKSMULYWFNVALG-KGLIPLIRSA-N 2 2 321.424 3.780 20 0 DHADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@H]1CCCOCC1)c1ccccc1 ZINC001170770551 1028287027 /nfs/dbraw/zinc/28/70/27/1028287027.db2.gz GJAMWFSMGXLGOR-XUVXKRRUSA-N 2 2 310.441 3.586 20 0 DHADLP COc1cccc2c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cccc12 ZINC000449021657 1028292538 /nfs/dbraw/zinc/29/25/38/1028292538.db2.gz UYHAVEFAHPQDTK-UHFFFAOYSA-N 2 2 321.424 3.951 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368102127 1028296744 /nfs/dbraw/zinc/29/67/44/1028296744.db2.gz MMVOJDXQCSZEHJ-FZKQIMNGSA-N 2 2 320.440 3.724 20 0 DHADLP CCCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000368098647 1028298870 /nfs/dbraw/zinc/29/88/70/1028298870.db2.gz CGYYUIREJWNXTA-HZPDHXFCSA-N 2 2 301.409 3.927 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000368100879 1028299170 /nfs/dbraw/zinc/29/91/70/1028299170.db2.gz IRYCXCSYNPELPL-GXSJLCMTSA-N 2 2 310.228 3.925 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1Cl ZINC000368103799 1028301994 /nfs/dbraw/zinc/30/19/94/1028301994.db2.gz YTQZFTHEKDYLQU-NXEZZACHSA-N 2 2 310.228 3.925 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103808 1028302541 /nfs/dbraw/zinc/30/25/41/1028302541.db2.gz YVIGJEWKJWRBBI-SMDDNHRTSA-N 2 2 323.362 3.507 20 0 DHADLP FC(F)(F)c1cccc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000368349352 1028338178 /nfs/dbraw/zinc/33/81/78/1028338178.db2.gz RKKDIYOJNUYHHM-OAHLLOKOSA-N 2 2 323.362 3.782 20 0 DHADLP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000368349352 1028338197 /nfs/dbraw/zinc/33/81/97/1028338197.db2.gz RKKDIYOJNUYHHM-OAHLLOKOSA-N 2 2 323.362 3.782 20 0 DHADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449081074 1028343700 /nfs/dbraw/zinc/34/37/00/1028343700.db2.gz BOLPUGORYPOYIL-LRYGQEGESA-N 2 2 308.510 3.578 20 0 DHADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449081074 1028343712 /nfs/dbraw/zinc/34/37/12/1028343712.db2.gz BOLPUGORYPOYIL-LRYGQEGESA-N 2 2 308.510 3.578 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cs1 ZINC000449118857 1028372000 /nfs/dbraw/zinc/37/20/00/1028372000.db2.gz ZNIDPZSYNOXSIT-AWEZNQCLSA-N 2 2 303.475 3.655 20 0 DHADLP CC(C)COc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000579300726 1028375660 /nfs/dbraw/zinc/37/56/60/1028375660.db2.gz XAAHBZAVJVQNAK-SJLPKXTDSA-N 2 2 304.478 3.636 20 0 DHADLP CC(C)COc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000579300726 1028375676 /nfs/dbraw/zinc/37/56/76/1028375676.db2.gz XAAHBZAVJVQNAK-SJLPKXTDSA-N 2 2 304.478 3.636 20 0 DHADLP CC(C)COc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000579300726 1028375695 /nfs/dbraw/zinc/37/56/95/1028375695.db2.gz XAAHBZAVJVQNAK-SJLPKXTDSA-N 2 2 304.478 3.636 20 0 DHADLP CC(C)COc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000579300726 1028375711 /nfs/dbraw/zinc/37/57/11/1028375711.db2.gz XAAHBZAVJVQNAK-SJLPKXTDSA-N 2 2 304.478 3.636 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(OC(C)C)cc1)CCC2 ZINC000368695983 1028394915 /nfs/dbraw/zinc/39/49/15/1028394915.db2.gz VYEXLSCCPJMFSR-QGZVFWFLSA-N 2 2 313.445 3.646 20 0 DHADLP C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000449143854 1028400075 /nfs/dbraw/zinc/40/00/75/1028400075.db2.gz XWRFTUBYTAYCFW-CVEARBPZSA-N 2 2 300.446 3.930 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCC1 ZINC000449215948 1028459949 /nfs/dbraw/zinc/45/99/49/1028459949.db2.gz ZLGGQDKHVDMRES-DNVCBOLYSA-N 2 2 301.478 3.775 20 0 DHADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564728457 1028493305 /nfs/dbraw/zinc/49/33/05/1028493305.db2.gz IWNYIIKGASVCAM-QGZVFWFLSA-N 2 2 304.821 3.662 20 0 DHADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564728457 1028493314 /nfs/dbraw/zinc/49/33/14/1028493314.db2.gz IWNYIIKGASVCAM-QGZVFWFLSA-N 2 2 304.821 3.662 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)c2ccccc21 ZINC000564825903 1028506332 /nfs/dbraw/zinc/50/63/32/1028506332.db2.gz QAEBJRNBPBJCDT-MOPGFXCFSA-N 2 2 323.440 3.637 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000370115770 1028566608 /nfs/dbraw/zinc/56/66/08/1028566608.db2.gz YRXYNIKBYGQVLD-MJGOQNOKSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000370115770 1028566623 /nfs/dbraw/zinc/56/66/23/1028566623.db2.gz YRXYNIKBYGQVLD-MJGOQNOKSA-N 2 2 315.505 3.852 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000528601722 1028582264 /nfs/dbraw/zinc/58/22/64/1028582264.db2.gz HAUQINJBHCFEIO-CYBMUJFWSA-N 2 2 303.475 3.605 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000528601722 1028582269 /nfs/dbraw/zinc/58/22/69/1028582269.db2.gz HAUQINJBHCFEIO-CYBMUJFWSA-N 2 2 303.475 3.605 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000370629914 1028626999 /nfs/dbraw/zinc/62/69/99/1028626999.db2.gz RMVCNGXMQLKDLI-ICSRJNTNSA-N 2 2 323.484 3.953 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000370629914 1028627005 /nfs/dbraw/zinc/62/70/05/1028627005.db2.gz RMVCNGXMQLKDLI-ICSRJNTNSA-N 2 2 323.484 3.953 20 0 DHADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000370682569 1028637960 /nfs/dbraw/zinc/63/79/60/1028637960.db2.gz PWDCAJSMYUVELG-HZPDHXFCSA-N 2 2 313.445 3.737 20 0 DHADLP CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000528746206 1028756713 /nfs/dbraw/zinc/75/67/13/1028756713.db2.gz UMGOFUNFVVIUIS-KRWDZBQOSA-N 2 2 301.409 3.680 20 0 DHADLP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000528746206 1028756725 /nfs/dbraw/zinc/75/67/25/1028756725.db2.gz UMGOFUNFVVIUIS-KRWDZBQOSA-N 2 2 301.409 3.680 20 0 DHADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000371795956 1028758867 /nfs/dbraw/zinc/75/88/67/1028758867.db2.gz KBUDPNSBOXYCID-AZUAARDMSA-N 2 2 323.484 3.953 20 0 DHADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000371795956 1028758879 /nfs/dbraw/zinc/75/88/79/1028758879.db2.gz KBUDPNSBOXYCID-AZUAARDMSA-N 2 2 323.484 3.953 20 0 DHADLP CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449565360 1028808685 /nfs/dbraw/zinc/80/86/85/1028808685.db2.gz IKRFAOXIZRMKPB-LSDHHAIUSA-N 2 2 323.444 3.809 20 0 DHADLP COc1cccc([C@@H](C)[NH+]2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1 ZINC000372179733 1028817647 /nfs/dbraw/zinc/81/76/47/1028817647.db2.gz FEYIFKCXQIFZCC-JKSUJKDBSA-N 2 2 302.462 3.705 20 0 DHADLP COc1cccc([C@@H](C)[NH+]2CCC([N@H+]3CCC[C@@H]3C)CC2)c1 ZINC000372179733 1028817665 /nfs/dbraw/zinc/81/76/65/1028817665.db2.gz FEYIFKCXQIFZCC-JKSUJKDBSA-N 2 2 302.462 3.705 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000567391930 1028886661 /nfs/dbraw/zinc/88/66/61/1028886661.db2.gz YBDVTQHEZYJXPT-KXBFYZLASA-N 2 2 311.473 3.785 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000567391930 1028886676 /nfs/dbraw/zinc/88/66/76/1028886676.db2.gz YBDVTQHEZYJXPT-KXBFYZLASA-N 2 2 311.473 3.785 20 0 DHADLP COc1cc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1F ZINC000373518281 1029066529 /nfs/dbraw/zinc/06/65/29/1029066529.db2.gz CEWPCSWMOUPOFJ-JEYLPNPQSA-N 2 2 306.425 3.502 20 0 DHADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000569003555 1029159403 /nfs/dbraw/zinc/15/94/03/1029159403.db2.gz NQGXVBOQIMDTCE-AWEZNQCLSA-N 2 2 307.507 3.622 20 0 DHADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000569003555 1029159410 /nfs/dbraw/zinc/15/94/10/1029159410.db2.gz NQGXVBOQIMDTCE-AWEZNQCLSA-N 2 2 307.507 3.622 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccncc1Cl ZINC000817575249 1029203657 /nfs/dbraw/zinc/20/36/57/1029203657.db2.gz GOORSYJDJACLHF-WFASDCNBSA-N 2 2 306.841 3.697 20 0 DHADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1SC(C)(C)C ZINC000817981589 1029319725 /nfs/dbraw/zinc/31/97/25/1029319725.db2.gz LRGUAJAUMMCYQF-LSDHHAIUSA-N 2 2 322.518 3.606 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1OCC ZINC000629540849 1029360207 /nfs/dbraw/zinc/36/02/07/1029360207.db2.gz SZYHLBKNQJITPM-XIRDDKMYSA-N 2 2 320.477 3.665 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1OCC ZINC000629540847 1029361351 /nfs/dbraw/zinc/36/13/51/1029361351.db2.gz SZYHLBKNQJITPM-PVAVHDDUSA-N 2 2 320.477 3.665 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629541829 1029365395 /nfs/dbraw/zinc/36/53/95/1029365395.db2.gz WWSVGMKQXYYUIJ-WWGRRREGSA-N 2 2 315.486 3.910 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561278 1029368582 /nfs/dbraw/zinc/36/85/82/1029368582.db2.gz ICZZESWEIQKBAY-MDZLAQPJSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561278 1029368596 /nfs/dbraw/zinc/36/85/96/1029368596.db2.gz ICZZESWEIQKBAY-MDZLAQPJSA-N 2 2 320.786 3.860 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1ccc(C)cc1)C1CC1)CCC2 ZINC000374575454 1029391105 /nfs/dbraw/zinc/39/11/05/1029391105.db2.gz LYMFEYGBCCWAQV-VQTJNVASSA-N 2 2 323.484 3.988 20 0 DHADLP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001170910241 1029413029 /nfs/dbraw/zinc/41/30/29/1029413029.db2.gz BDMIKUTYNYYBON-JKSUJKDBSA-N 2 2 318.892 3.804 20 0 DHADLP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001170910241 1029413033 /nfs/dbraw/zinc/41/30/33/1029413033.db2.gz BDMIKUTYNYYBON-JKSUJKDBSA-N 2 2 318.892 3.804 20 0 DHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)CC(C)C)[C@@H]1c1cnn(C)c1 ZINC000450795178 1029657021 /nfs/dbraw/zinc/65/70/21/1029657021.db2.gz TUAFNDGITNHGSK-JENIJYKNSA-N 2 2 320.525 3.560 20 0 DHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)CC(C)C)[C@@H]1c1cnn(C)c1 ZINC000450795178 1029657045 /nfs/dbraw/zinc/65/70/45/1029657045.db2.gz TUAFNDGITNHGSK-JENIJYKNSA-N 2 2 320.525 3.560 20 0 DHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)CC(C)C)[C@@H]1c1cnn(C)c1 ZINC000450795178 1029657050 /nfs/dbraw/zinc/65/70/50/1029657050.db2.gz TUAFNDGITNHGSK-JENIJYKNSA-N 2 2 320.525 3.560 20 0 DHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)CC(C)C)[C@@H]1c1cnn(C)c1 ZINC000450795178 1029657052 /nfs/dbraw/zinc/65/70/52/1029657052.db2.gz TUAFNDGITNHGSK-JENIJYKNSA-N 2 2 320.525 3.560 20 0 DHADLP CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222119 1029781951 /nfs/dbraw/zinc/78/19/51/1029781951.db2.gz QHMBVMKFAVCRHW-YJBOKZPZSA-N 2 2 302.462 3.657 20 0 DHADLP CCOc1ccccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000303661978 1029802760 /nfs/dbraw/zinc/80/27/60/1029802760.db2.gz WQGMCFVIMQBEFM-UHFFFAOYSA-N 2 2 321.424 3.903 20 0 DHADLP CCOc1ccccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000303661978 1029802767 /nfs/dbraw/zinc/80/27/67/1029802767.db2.gz WQGMCFVIMQBEFM-UHFFFAOYSA-N 2 2 321.424 3.903 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290296426 1029983775 /nfs/dbraw/zinc/98/37/75/1029983775.db2.gz AUCOKDINAJYZQN-NHYWBVRUSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290296426 1029983798 /nfs/dbraw/zinc/98/37/98/1029983798.db2.gz AUCOKDINAJYZQN-NHYWBVRUSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290296426 1029983815 /nfs/dbraw/zinc/98/38/15/1029983815.db2.gz AUCOKDINAJYZQN-NHYWBVRUSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290296426 1029983834 /nfs/dbraw/zinc/98/38/34/1029983834.db2.gz AUCOKDINAJYZQN-NHYWBVRUSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416097 1030041068 /nfs/dbraw/zinc/04/10/68/1030041068.db2.gz KIGWRBYRLVZDTF-NHYWBVRUSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416097 1030041083 /nfs/dbraw/zinc/04/10/83/1030041083.db2.gz KIGWRBYRLVZDTF-NHYWBVRUSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416097 1030041089 /nfs/dbraw/zinc/04/10/89/1030041089.db2.gz KIGWRBYRLVZDTF-NHYWBVRUSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416097 1030041099 /nfs/dbraw/zinc/04/10/99/1030041099.db2.gz KIGWRBYRLVZDTF-NHYWBVRUSA-N 2 2 318.358 3.617 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cccnc2)cc1 ZINC000924590590 1030131656 /nfs/dbraw/zinc/13/16/56/1030131656.db2.gz ANQRMSVQZPNGMO-OAQYLSRUSA-N 2 2 321.468 3.696 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ncco1 ZINC000924668478 1030155486 /nfs/dbraw/zinc/15/54/86/1030155486.db2.gz QKZGDWIFOMSUNF-HZPDHXFCSA-N 2 2 313.445 3.757 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ncco1 ZINC000924668478 1030155491 /nfs/dbraw/zinc/15/54/91/1030155491.db2.gz QKZGDWIFOMSUNF-HZPDHXFCSA-N 2 2 313.445 3.757 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(-c2ccccc2)no1 ZINC000924696421 1030162491 /nfs/dbraw/zinc/16/24/91/1030162491.db2.gz GDPSUFSNLKWTAU-UAGQMJEPSA-N 2 2 311.429 3.619 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(-c2ccccc2)no1 ZINC000924696421 1030162500 /nfs/dbraw/zinc/16/25/00/1030162500.db2.gz GDPSUFSNLKWTAU-UAGQMJEPSA-N 2 2 311.429 3.619 20 0 DHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccns2)CC1 ZINC000924696878 1030163199 /nfs/dbraw/zinc/16/31/99/1030163199.db2.gz GVFAVQDICQZDDV-OAHLLOKOSA-N 2 2 315.486 3.767 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@H](C)C[NH+]2CCCC2)c2cccnc2)cc1 ZINC000924718533 1030171411 /nfs/dbraw/zinc/17/14/11/1030171411.db2.gz ZKAAZSMCMJKLEQ-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000866239965 1030173799 /nfs/dbraw/zinc/17/37/99/1030173799.db2.gz YBWKPFHAFCELFX-ROUUACIJSA-N 2 2 313.445 3.584 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccnn1C1CCC1 ZINC000924771551 1030184606 /nfs/dbraw/zinc/18/46/06/1030184606.db2.gz YNPHGKFHIBKWFV-OAHLLOKOSA-N 2 2 321.428 3.645 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccnn1C1CCC1 ZINC000924928740 1030227382 /nfs/dbraw/zinc/22/73/82/1030227382.db2.gz ZCURJXKPDNWANO-HNNXBMFYSA-N 2 2 313.449 3.546 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCc3cccc4cccc1c43)CC2 ZINC000866343323 1030243457 /nfs/dbraw/zinc/24/34/57/1030243457.db2.gz LZEKACCINPKSPE-FUHWJXTLSA-N 2 2 303.409 3.628 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2cccnc2)c1 ZINC000925011764 1030246347 /nfs/dbraw/zinc/24/63/47/1030246347.db2.gz RGSLMLLEHRSIBH-GHTZIAJQSA-N 2 2 323.484 3.719 20 0 DHADLP Cc1cc(C)cc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2cccnc2)c1 ZINC000925011764 1030246361 /nfs/dbraw/zinc/24/63/61/1030246361.db2.gz RGSLMLLEHRSIBH-GHTZIAJQSA-N 2 2 323.484 3.719 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccns1 ZINC000925132681 1030281532 /nfs/dbraw/zinc/28/15/32/1030281532.db2.gz AVPATSHKFJEVIH-HEHGZKQESA-N 2 2 321.515 3.938 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccns1 ZINC000925132681 1030281534 /nfs/dbraw/zinc/28/15/34/1030281534.db2.gz AVPATSHKFJEVIH-HEHGZKQESA-N 2 2 321.515 3.938 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c2ccccn2)cc1 ZINC000925222011 1030307618 /nfs/dbraw/zinc/30/76/18/1030307618.db2.gz PZSCUNRSNKOHOW-DYXWJJEUSA-N 2 2 323.484 3.942 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccns1 ZINC000925221383 1030308619 /nfs/dbraw/zinc/30/86/19/1030308619.db2.gz MOCUCKCZRWAPDZ-HLLBOEOZSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccns1 ZINC000925221383 1030308631 /nfs/dbraw/zinc/30/86/31/1030308631.db2.gz MOCUCKCZRWAPDZ-HLLBOEOZSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866478963 1030316124 /nfs/dbraw/zinc/31/61/24/1030316124.db2.gz NIJSDLBTGPBSRR-YOEHRIQHSA-N 2 2 301.459 3.809 20 0 DHADLP Cc1cc(CNc2cc[nH+]cc2Cl)cc(N2CCCC2)[nH+]1 ZINC000291065298 1030320416 /nfs/dbraw/zinc/32/04/16/1030320416.db2.gz GIAPSKWIOSMUQS-UHFFFAOYSA-N 2 2 302.809 3.651 20 0 DHADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1C ZINC000291165596 1030375551 /nfs/dbraw/zinc/37/55/51/1030375551.db2.gz DAJCVLSJHDODPZ-HKUYNNGSSA-N 2 2 310.445 3.528 20 0 DHADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c1C ZINC000291165596 1030375571 /nfs/dbraw/zinc/37/55/71/1030375571.db2.gz DAJCVLSJHDODPZ-HKUYNNGSSA-N 2 2 310.445 3.528 20 0 DHADLP COc1cc2cc[nH+]c(NC[C@@H]3CC[N@@H+](C(C)C)C3)c2cc1F ZINC000558009862 1030376184 /nfs/dbraw/zinc/37/61/84/1030376184.db2.gz CJCPZUYEEKWHIM-ZDUSSCGKSA-N 2 2 317.408 3.525 20 0 DHADLP COc1cc2cc[nH+]c(NC[C@@H]3CC[N@H+](C(C)C)C3)c2cc1F ZINC000558009862 1030376203 /nfs/dbraw/zinc/37/62/03/1030376203.db2.gz CJCPZUYEEKWHIM-ZDUSSCGKSA-N 2 2 317.408 3.525 20 0 DHADLP c1cncc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2)c1 ZINC000925529333 1030388564 /nfs/dbraw/zinc/38/85/64/1030388564.db2.gz ZRDMJADBWNRPDU-LJQANCHMSA-N 2 2 307.441 3.513 20 0 DHADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000925625594 1030423937 /nfs/dbraw/zinc/42/39/37/1030423937.db2.gz GTUFSBUJDQSAOO-CZUORRHYSA-N 2 2 317.502 3.661 20 0 DHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000866702328 1030428098 /nfs/dbraw/zinc/42/80/98/1030428098.db2.gz AOAVQNRXHYHHMA-KRWDZBQOSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000866702328 1030428110 /nfs/dbraw/zinc/42/81/10/1030428110.db2.gz AOAVQNRXHYHHMA-KRWDZBQOSA-N 2 2 319.474 3.600 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccnc2)c(C)c1 ZINC000358348723 1030451384 /nfs/dbraw/zinc/45/13/84/1030451384.db2.gz WDCFSKXXTGPBKI-YLJYHZDGSA-N 2 2 320.440 3.987 20 0 DHADLP c1ccc(-c2cc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)ccn2)cc1 ZINC000925720239 1030465598 /nfs/dbraw/zinc/46/55/98/1030465598.db2.gz XDDGMCJVRVZGFP-IBGZPJMESA-N 2 2 307.441 3.513 20 0 DHADLP COc1ccc(C2CC2)cc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925738155 1030472534 /nfs/dbraw/zinc/47/25/34/1030472534.db2.gz WAXTZPNNWYZJCY-OALUTQOASA-N 2 2 308.425 3.807 20 0 DHADLP CC(C)C[C@H](c1cccs1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749230 1030477643 /nfs/dbraw/zinc/47/76/43/1030477643.db2.gz VXNSGNWMQLMFLX-CYBMUJFWSA-N 2 2 321.515 3.809 20 0 DHADLP CC(C)C[C@H](c1cccs1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749230 1030477649 /nfs/dbraw/zinc/47/76/49/1030477649.db2.gz VXNSGNWMQLMFLX-CYBMUJFWSA-N 2 2 321.515 3.809 20 0 DHADLP CCC1([NH3+])CC[NH+]([C@@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000925756285 1030483501 /nfs/dbraw/zinc/48/35/01/1030483501.db2.gz KGCGRXWWLFQNHW-JTQLQIEISA-N 2 2 316.276 3.840 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(Cl)n1 ZINC000925767485 1030487217 /nfs/dbraw/zinc/48/72/17/1030487217.db2.gz VGMUCUKZVRVDFZ-IRXDYDNUSA-N 2 2 315.848 3.626 20 0 DHADLP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925795796 1030500525 /nfs/dbraw/zinc/50/05/25/1030500525.db2.gz QFUIWXXFBIWWRE-QFBILLFUSA-N 2 2 316.489 3.619 20 0 DHADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccccc1 ZINC000925840347 1030517693 /nfs/dbraw/zinc/51/76/93/1030517693.db2.gz VEZKYXLWTDBVRF-LIRZEXBASA-N 2 2 316.395 3.713 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000358590418 1030550824 /nfs/dbraw/zinc/55/08/24/1030550824.db2.gz WMBMYBFEESZPPM-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000358590418 1030550831 /nfs/dbraw/zinc/55/08/31/1030550831.db2.gz WMBMYBFEESZPPM-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000358590418 1030550839 /nfs/dbraw/zinc/55/08/39/1030550839.db2.gz WMBMYBFEESZPPM-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000358590418 1030550843 /nfs/dbraw/zinc/55/08/43/1030550843.db2.gz WMBMYBFEESZPPM-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP C[C@@H](C[NH2+]C[C@@H](C)[N@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000558405611 1030562611 /nfs/dbraw/zinc/56/26/11/1030562611.db2.gz WHELONJDDQHTLE-QWHCGFSZSA-N 2 2 314.395 3.881 20 0 DHADLP C[C@@H](C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000558405611 1030562617 /nfs/dbraw/zinc/56/26/17/1030562617.db2.gz WHELONJDDQHTLE-QWHCGFSZSA-N 2 2 314.395 3.881 20 0 DHADLP COCC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1ccc(C)o1 ZINC000926108613 1030616427 /nfs/dbraw/zinc/61/64/27/1030616427.db2.gz BJNBBLBFDXVNLU-GOSISDBHSA-N 2 2 322.493 3.766 20 0 DHADLP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000926109759 1030618957 /nfs/dbraw/zinc/61/89/57/1030618957.db2.gz LYRAWKIECAEKPJ-XWSJACJDSA-N 2 2 308.510 3.577 20 0 DHADLP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CCO1 ZINC000926109759 1030618968 /nfs/dbraw/zinc/61/89/68/1030618968.db2.gz LYRAWKIECAEKPJ-XWSJACJDSA-N 2 2 308.510 3.577 20 0 DHADLP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246662435 1030643619 /nfs/dbraw/zinc/64/36/19/1030643619.db2.gz DLEZFPQCOFWBIW-CABCVRRESA-N 2 2 301.409 3.575 20 0 DHADLP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246662435 1030643626 /nfs/dbraw/zinc/64/36/26/1030643626.db2.gz DLEZFPQCOFWBIW-CABCVRRESA-N 2 2 301.409 3.575 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2ncsc2c1 ZINC000926213709 1030656974 /nfs/dbraw/zinc/65/69/74/1030656974.db2.gz JLYYSOHYWFWBST-QRTARXTBSA-N 2 2 315.486 3.964 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2ncsc2c1 ZINC000926213709 1030656981 /nfs/dbraw/zinc/65/69/81/1030656981.db2.gz JLYYSOHYWFWBST-QRTARXTBSA-N 2 2 315.486 3.964 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc2ccccc21 ZINC000926230804 1030666268 /nfs/dbraw/zinc/66/62/68/1030666268.db2.gz XYRVPTVFRWWIDQ-WMLDXEAASA-N 2 2 321.424 3.711 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246923844 1030676728 /nfs/dbraw/zinc/67/67/28/1030676728.db2.gz GVZPVLASDHJMBH-LVCYWYKZSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246923844 1030676732 /nfs/dbraw/zinc/67/67/32/1030676732.db2.gz GVZPVLASDHJMBH-LVCYWYKZSA-N 2 2 323.484 3.951 20 0 DHADLP Clc1ccc2[nH+]ccc(N3CC[NH+](C4CCC4)CC3)c2c1 ZINC000358920881 1030678117 /nfs/dbraw/zinc/67/81/17/1030678117.db2.gz NTFFZIORCWFITK-UHFFFAOYSA-N 2 2 301.821 3.563 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1(Cl)CC1 ZINC000926330464 1030700321 /nfs/dbraw/zinc/70/03/21/1030700321.db2.gz MQZGAIFVASBHQC-QFWMXSHPSA-N 2 2 324.818 3.541 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136987118 1030720760 /nfs/dbraw/zinc/72/07/60/1030720760.db2.gz JKDDGOHTHWLHDJ-UHFFFAOYSA-N 2 2 315.436 3.757 20 0 DHADLP CC(C)[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cn1 ZINC000359080774 1030767372 /nfs/dbraw/zinc/76/73/72/1030767372.db2.gz JQQLHBNZGGETFJ-HTWSVDAQSA-N 2 2 305.441 3.524 20 0 DHADLP C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359085313 1030770588 /nfs/dbraw/zinc/77/05/88/1030770588.db2.gz SHCGMIYKGLQSPJ-NVXWUHKLSA-N 2 2 315.461 3.710 20 0 DHADLP CC1CC[NH+](CC[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171089875 1030819116 /nfs/dbraw/zinc/81/91/16/1030819116.db2.gz DVEBQSCZFBZFFB-GOSISDBHSA-N 2 2 306.881 3.519 20 0 DHADLP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926643396 1030834430 /nfs/dbraw/zinc/83/44/30/1030834430.db2.gz RVOGVTTWFNHKFC-QPSCCSFWSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926643396 1030834448 /nfs/dbraw/zinc/83/44/48/1030834448.db2.gz RVOGVTTWFNHKFC-QPSCCSFWSA-N 2 2 304.400 3.714 20 0 DHADLP CC(C)O[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000292380464 1030971492 /nfs/dbraw/zinc/97/14/92/1030971492.db2.gz HLYDLPRPUWLPGR-SFHVURJKSA-N 2 2 313.445 3.755 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001171111519 1031003747 /nfs/dbraw/zinc/00/37/47/1031003747.db2.gz SJWLRVWYDLNSMC-OALUTQOASA-N 2 2 318.892 3.661 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001171111519 1031003772 /nfs/dbraw/zinc/00/37/72/1031003772.db2.gz SJWLRVWYDLNSMC-OALUTQOASA-N 2 2 318.892 3.661 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Cl)cc2c1OCC2 ZINC000927139832 1031115192 /nfs/dbraw/zinc/11/51/92/1031115192.db2.gz LRSZNASTSKPBTG-LBPRGKRZSA-N 2 2 320.864 3.552 20 0 DHADLP C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927160692 1031124995 /nfs/dbraw/zinc/12/49/95/1031124995.db2.gz UMPQRMSVYPPFGE-CRAIPNDOSA-N 2 2 311.429 3.625 20 0 DHADLP Clc1ccc2c(c1)CC[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001171134908 1031222744 /nfs/dbraw/zinc/22/27/44/1031222744.db2.gz HPCTYTDWCNMILB-RDJZCZTQSA-N 2 2 315.848 3.734 20 0 DHADLP COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)Cn3cc[nH+]c3)c(C)c2c1 ZINC000360046181 1031253758 /nfs/dbraw/zinc/25/37/58/1031253758.db2.gz OVOJLBLZSRDSKX-GXTWGEPZSA-N 2 2 313.401 3.686 20 0 DHADLP CC[C@@H](C[NH2+][C@H]1CCCc2ccc(OC)cc21)[NH+]1CCCC1 ZINC000360065029 1031262358 /nfs/dbraw/zinc/26/23/58/1031262358.db2.gz YAMNFFAFBXTTDQ-LPHOPBHVSA-N 2 2 302.462 3.537 20 0 DHADLP CCc1cc(C[NH+]2CCC([NH+](CC)CC)CC2)cc(CC)c1O ZINC001144147957 1031286719 /nfs/dbraw/zinc/28/67/19/1031286719.db2.gz IZKJMFKDCDJHGS-UHFFFAOYSA-N 2 2 318.505 3.823 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCOC1 ZINC000872017596 1031398319 /nfs/dbraw/zinc/39/83/19/1031398319.db2.gz CRIFOKCJEQJMCM-IEZWGBDMSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@H](CC[NH2+]Cc1ccc(Cl)o1)[N@H+](C)Cc1ccccc1 ZINC000379634361 1031419085 /nfs/dbraw/zinc/41/90/85/1031419085.db2.gz VBHOITZJKSNTOG-CQSZACIVSA-N 2 2 306.837 3.933 20 0 DHADLP C[C@H](CC[NH2+]Cc1ccc(Cl)o1)[N@@H+](C)Cc1ccccc1 ZINC000379634361 1031419103 /nfs/dbraw/zinc/41/91/03/1031419103.db2.gz VBHOITZJKSNTOG-CQSZACIVSA-N 2 2 306.837 3.933 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(O)ccc1F ZINC000872036549 1031419997 /nfs/dbraw/zinc/41/99/97/1031419997.db2.gz WHILUXVPAFIFJU-LBPRGKRZSA-N 2 2 320.383 3.583 20 0 DHADLP Cc1cc([C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C2CC2)ccc1F ZINC000537015656 1031487854 /nfs/dbraw/zinc/48/78/54/1031487854.db2.gz HJMLGEKWEFPWBR-ROUUACIJSA-N 2 2 322.493 3.612 20 0 DHADLP Cc1cc2[nH]c(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2c(C)c1 ZINC000360888132 1031604317 /nfs/dbraw/zinc/60/43/17/1031604317.db2.gz YIVVNYMEDSCDAH-UHFFFAOYSA-N 2 2 308.429 3.818 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929777502 1031605074 /nfs/dbraw/zinc/60/50/74/1031605074.db2.gz DJXKNGDVTHDVEP-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929777502 1031605081 /nfs/dbraw/zinc/60/50/81/1031605081.db2.gz DJXKNGDVTHDVEP-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929777502 1031605087 /nfs/dbraw/zinc/60/50/87/1031605087.db2.gz DJXKNGDVTHDVEP-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929777502 1031605092 /nfs/dbraw/zinc/60/50/92/1031605092.db2.gz DJXKNGDVTHDVEP-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)C[C@H]1C ZINC000929782986 1031609631 /nfs/dbraw/zinc/60/96/31/1031609631.db2.gz XXUQYVZMYMQJSF-NVXWUHKLSA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)C[C@H]1C ZINC000929782986 1031609636 /nfs/dbraw/zinc/60/96/36/1031609636.db2.gz XXUQYVZMYMQJSF-NVXWUHKLSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)o2)C[C@H]1C ZINC000929782986 1031609645 /nfs/dbraw/zinc/60/96/45/1031609645.db2.gz XXUQYVZMYMQJSF-NVXWUHKLSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)o2)C[C@H]1C ZINC000929782986 1031609650 /nfs/dbraw/zinc/60/96/50/1031609650.db2.gz XXUQYVZMYMQJSF-NVXWUHKLSA-N 2 2 313.445 3.646 20 0 DHADLP CC(C)([NH3+])CNc1ccc2[nH+]c(-c3ccc(Cl)cc3)cn2c1 ZINC001171193498 1031640379 /nfs/dbraw/zinc/64/03/79/1031640379.db2.gz ZENIYCYNNYLLJD-UHFFFAOYSA-N 2 2 314.820 3.804 20 0 DHADLP Clc1ccccc1C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000293837951 1031649538 /nfs/dbraw/zinc/64/95/38/1031649538.db2.gz STIBGWCXEQLGBE-QGZVFWFLSA-N 2 2 303.837 3.538 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC001144721706 1031907412 /nfs/dbraw/zinc/90/74/12/1031907412.db2.gz ZJIJROMRBHEQBX-QGZVFWFLSA-N 2 2 307.397 3.525 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC001144721706 1031907426 /nfs/dbraw/zinc/90/74/26/1031907426.db2.gz ZJIJROMRBHEQBX-QGZVFWFLSA-N 2 2 307.397 3.525 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361493218 1031953118 /nfs/dbraw/zinc/95/31/18/1031953118.db2.gz QPSBJXOPNDGECK-OAHLLOKOSA-N 2 2 307.397 3.732 20 0 DHADLP Fc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361493280 1031954585 /nfs/dbraw/zinc/95/45/85/1031954585.db2.gz RCTFESCTNFYPSV-IBGZPJMESA-N 2 2 307.372 3.789 20 0 DHADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[C@H](C)C1 ZINC000361638440 1032027187 /nfs/dbraw/zinc/02/71/87/1032027187.db2.gz LXSKPYMHCVXOIF-LPHOPBHVSA-N 2 2 313.445 3.509 20 0 DHADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[C@H](C)C1 ZINC000361638440 1032027203 /nfs/dbraw/zinc/02/72/03/1032027203.db2.gz LXSKPYMHCVXOIF-LPHOPBHVSA-N 2 2 313.445 3.509 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1sccc1Br ZINC000044532979 1032056662 /nfs/dbraw/zinc/05/66/62/1032056662.db2.gz DXZGJOMIRHMRHO-GHMZBOCLSA-N 2 2 317.296 3.503 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1sccc1Br ZINC000044532979 1032056664 /nfs/dbraw/zinc/05/66/64/1032056664.db2.gz DXZGJOMIRHMRHO-GHMZBOCLSA-N 2 2 317.296 3.503 20 0 DHADLP Clc1ccc2c(c1)C[C@H]([NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC001172716897 1033323712 /nfs/dbraw/zinc/32/37/12/1033323712.db2.gz SQAURHZDUHGCPC-LJQANCHMSA-N 2 2 318.892 3.758 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H](Oc3cc[nH+]cc3C)C1)CC2 ZINC001172837148 1033397978 /nfs/dbraw/zinc/39/79/78/1033397978.db2.gz FJMVPVPFEOJOLA-UXHICEINSA-N 2 2 322.452 3.709 20 0 DHADLP Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@H](Oc3cc[nH+]cc3C)C1)CC2 ZINC001172837148 1033397990 /nfs/dbraw/zinc/39/79/90/1033397990.db2.gz FJMVPVPFEOJOLA-UXHICEINSA-N 2 2 322.452 3.709 20 0 DHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001172848031 1033418960 /nfs/dbraw/zinc/41/89/60/1033418960.db2.gz OZXFLUGUZCXGKH-STQMWFEESA-N 2 2 310.844 3.627 20 0 DHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001172848031 1033418969 /nfs/dbraw/zinc/41/89/69/1033418969.db2.gz OZXFLUGUZCXGKH-STQMWFEESA-N 2 2 310.844 3.627 20 0 DHADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CCCOc3ccccc32)c[nH+]1 ZINC000152250437 1033512111 /nfs/dbraw/zinc/51/21/11/1033512111.db2.gz ZUVCTSTUMHBKIO-GOSISDBHSA-N 2 2 319.408 3.876 20 0 DHADLP c1ccc(OC2CCC([NH2+]CC[NH+]3CCCCCC3)CC2)cc1 ZINC001173194991 1033586494 /nfs/dbraw/zinc/58/64/94/1033586494.db2.gz HTLTXRABFBEXMX-UHFFFAOYSA-N 2 2 316.489 3.842 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3ccc(Cl)cc3n2)CC[N@@H+]1C ZINC000878163819 1033603563 /nfs/dbraw/zinc/60/35/63/1033603563.db2.gz XAXNQAYVWRJZNT-DYVFJYSZSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3ccc(Cl)cc3n2)CC[N@H+]1C ZINC000878163819 1033603573 /nfs/dbraw/zinc/60/35/73/1033603573.db2.gz XAXNQAYVWRJZNT-DYVFJYSZSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3ccc(Cl)cc3n2)CC[NH+]1C ZINC000878163819 1033603578 /nfs/dbraw/zinc/60/35/78/1033603578.db2.gz XAXNQAYVWRJZNT-DYVFJYSZSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3ccc(Cl)cc3n2)CC[NH+]1C ZINC000878163819 1033603582 /nfs/dbraw/zinc/60/35/82/1033603582.db2.gz XAXNQAYVWRJZNT-DYVFJYSZSA-N 2 2 317.864 3.803 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(F)(F)F)co2)C[C@@H]1C ZINC000878163304 1033604164 /nfs/dbraw/zinc/60/41/64/1033604164.db2.gz PSDXEZFXRGJDRF-AAEUAGOBSA-N 2 2 304.356 3.603 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(F)(F)F)co2)C[C@@H]1C ZINC000878163304 1033604165 /nfs/dbraw/zinc/60/41/65/1033604165.db2.gz PSDXEZFXRGJDRF-AAEUAGOBSA-N 2 2 304.356 3.603 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(F)(F)F)co2)C[C@@H]1C ZINC000878163304 1033604170 /nfs/dbraw/zinc/60/41/70/1033604170.db2.gz PSDXEZFXRGJDRF-AAEUAGOBSA-N 2 2 304.356 3.603 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(F)(F)F)co2)C[C@@H]1C ZINC000878163304 1033604174 /nfs/dbraw/zinc/60/41/74/1033604174.db2.gz PSDXEZFXRGJDRF-AAEUAGOBSA-N 2 2 304.356 3.603 20 0 DHADLP CC1(C)C[C@@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C(C)(C)O1 ZINC000878320574 1033658996 /nfs/dbraw/zinc/65/89/96/1033658996.db2.gz HHFGBBPSYPOEGC-HNNXBMFYSA-N 2 2 317.477 3.552 20 0 DHADLP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001173276880 1033668261 /nfs/dbraw/zinc/66/82/61/1033668261.db2.gz WGLTTYQWUHYZKR-CRAIPNDOSA-N 2 2 302.462 3.525 20 0 DHADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)n1cc[nH+]c1CC[NH3+] ZINC001173544554 1033763286 /nfs/dbraw/zinc/76/32/86/1033763286.db2.gz SOJXIRGJBLGUEN-LLVKDONJSA-N 2 2 312.244 3.885 20 0 DHADLP C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000553760987 1033820631 /nfs/dbraw/zinc/82/06/31/1033820631.db2.gz KGOFDJGVSWFYPP-QZTJIDSGSA-N 2 2 315.505 3.508 20 0 DHADLP C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000553760987 1033820644 /nfs/dbraw/zinc/82/06/44/1033820644.db2.gz KGOFDJGVSWFYPP-QZTJIDSGSA-N 2 2 315.505 3.508 20 0 DHADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC2(CCc3ccccc32)CC1 ZINC001173687335 1033829580 /nfs/dbraw/zinc/82/95/80/1033829580.db2.gz KUFJTGGXHIWMOD-OCDPCBSRSA-N 2 2 312.501 3.887 20 0 DHADLP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000554088449 1033960946 /nfs/dbraw/zinc/96/09/46/1033960946.db2.gz KZVGOUUJGLDEDX-BFUOFWGJSA-N 2 2 318.436 3.644 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000480094600 1034060437 /nfs/dbraw/zinc/06/04/37/1034060437.db2.gz QEOIRTNKHVDFTG-ZIAGYGMSSA-N 2 2 312.404 3.731 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000480094600 1034060452 /nfs/dbraw/zinc/06/04/52/1034060452.db2.gz QEOIRTNKHVDFTG-ZIAGYGMSSA-N 2 2 312.404 3.731 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2ccccc2n1 ZINC000178343889 1034227938 /nfs/dbraw/zinc/22/79/38/1034227938.db2.gz SOUFMAGJLLGVPC-OAHLLOKOSA-N 2 2 306.413 3.783 20 0 DHADLP Cc1nc(C)c([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000178551964 1034247519 /nfs/dbraw/zinc/24/75/19/1034247519.db2.gz BNCSZSGVUZBVKH-GFCCVEGCSA-N 2 2 304.463 3.698 20 0 DHADLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1ccccc1Br ZINC000179676398 1034325329 /nfs/dbraw/zinc/32/53/29/1034325329.db2.gz XDHRQFRGJJQLIR-UHFFFAOYSA-N 2 2 322.250 3.561 20 0 DHADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473873 1034343028 /nfs/dbraw/zinc/34/30/28/1034343028.db2.gz CEFJUCSDHLZZME-UHFFFAOYSA-N 2 2 301.478 3.574 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472410 1034344603 /nfs/dbraw/zinc/34/46/03/1034344603.db2.gz NCTGKUHBXVUXOT-CQSZACIVSA-N 2 2 324.415 3.909 20 0 DHADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480643082 1034363224 /nfs/dbraw/zinc/36/32/24/1034363224.db2.gz LCSNYHQNUSWSJX-UHFFFAOYSA-N 2 2 322.399 3.902 20 0 DHADLP ClC1(Cl)C[C@H]1CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568999 1034364241 /nfs/dbraw/zinc/36/42/41/1034364241.db2.gz GJAMCNVCNVTTSA-CABCVRRESA-N 2 2 324.255 3.798 20 0 DHADLP CCc1ccc(C)[nH+]c1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174443787 1034385751 /nfs/dbraw/zinc/38/57/51/1034385751.db2.gz DFKFJYBDVLTOHD-UHFFFAOYSA-N 2 2 311.429 3.528 20 0 DHADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000480757343 1034436341 /nfs/dbraw/zinc/43/63/41/1034436341.db2.gz BJBKBLUCWJAJFB-GFCCVEGCSA-N 2 2 319.276 3.612 20 0 DHADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000480757343 1034436351 /nfs/dbraw/zinc/43/63/51/1034436351.db2.gz BJBKBLUCWJAJFB-GFCCVEGCSA-N 2 2 319.276 3.612 20 0 DHADLP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000184276418 1034460374 /nfs/dbraw/zinc/46/03/74/1034460374.db2.gz HKLZZMGZKFLPFD-GOSISDBHSA-N 2 2 323.484 3.748 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924751747 1034486050 /nfs/dbraw/zinc/48/60/50/1034486050.db2.gz LBRXANLVTHHGOH-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924751747 1034486058 /nfs/dbraw/zinc/48/60/58/1034486058.db2.gz LBRXANLVTHHGOH-RXVVDRJESA-N 2 2 323.484 3.801 20 0 DHADLP CCCc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000481077351 1034574306 /nfs/dbraw/zinc/57/43/06/1034574306.db2.gz PTHLTKRZECNIDW-IBGZPJMESA-N 2 2 311.473 3.827 20 0 DHADLP CCCc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000481077351 1034574317 /nfs/dbraw/zinc/57/43/17/1034574317.db2.gz PTHLTKRZECNIDW-IBGZPJMESA-N 2 2 311.473 3.827 20 0 DHADLP CC(C)c1nc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cs1 ZINC000186376306 1034626500 /nfs/dbraw/zinc/62/65/00/1034626500.db2.gz VHNKFHYNSJRIMQ-ZDUSSCGKSA-N 2 2 304.463 3.814 20 0 DHADLP CC(C)(C)c1csc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000865425336 1034641362 /nfs/dbraw/zinc/64/13/62/1034641362.db2.gz KILWIZYXXDPNJK-ZDUSSCGKSA-N 2 2 320.506 3.842 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(Cl)nc1 ZINC001137168696 1034693572 /nfs/dbraw/zinc/69/35/72/1034693572.db2.gz NALYFRZFTQOFGV-HOTGVXAUSA-N 2 2 307.869 3.574 20 0 DHADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(Cl)nc1 ZINC001137168696 1034693575 /nfs/dbraw/zinc/69/35/75/1034693575.db2.gz NALYFRZFTQOFGV-HOTGVXAUSA-N 2 2 307.869 3.574 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001137168696 1034693580 /nfs/dbraw/zinc/69/35/80/1034693580.db2.gz NALYFRZFTQOFGV-HOTGVXAUSA-N 2 2 307.869 3.574 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001137168696 1034693582 /nfs/dbraw/zinc/69/35/82/1034693582.db2.gz NALYFRZFTQOFGV-HOTGVXAUSA-N 2 2 307.869 3.574 20 0 DHADLP CC1(C)CCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481323727 1034750534 /nfs/dbraw/zinc/75/05/34/1034750534.db2.gz PWKWPVNUXHSODL-LJQANCHMSA-N 2 2 316.489 3.577 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCc2cc3ccccc3s2)C[N@@H+]1C1CC1 ZINC000555614681 1034834736 /nfs/dbraw/zinc/83/47/36/1034834736.db2.gz NZFZDOIJPNSTOR-ZFWWWQNUSA-N 2 2 300.471 3.659 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCc2cc3ccccc3s2)C[N@H+]1C1CC1 ZINC000555614681 1034834749 /nfs/dbraw/zinc/83/47/49/1034834749.db2.gz NZFZDOIJPNSTOR-ZFWWWQNUSA-N 2 2 300.471 3.659 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000481928618 1035037259 /nfs/dbraw/zinc/03/72/59/1035037259.db2.gz AJZGARROUAOBGX-ZDUSSCGKSA-N 2 2 302.384 3.568 20 0 DHADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851389 1035043809 /nfs/dbraw/zinc/04/38/09/1035043809.db2.gz DXZGULVHLZCKPX-LJQANCHMSA-N 2 2 321.468 3.677 20 0 DHADLP Cc1cccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851389 1035043817 /nfs/dbraw/zinc/04/38/17/1035043817.db2.gz DXZGULVHLZCKPX-LJQANCHMSA-N 2 2 321.468 3.677 20 0 DHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000482242855 1035071615 /nfs/dbraw/zinc/07/16/15/1035071615.db2.gz KPTPYCCOPVDBTC-WMZOPIPTSA-N 2 2 312.457 3.601 20 0 DHADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000482242855 1035071626 /nfs/dbraw/zinc/07/16/26/1035071626.db2.gz KPTPYCCOPVDBTC-WMZOPIPTSA-N 2 2 312.457 3.601 20 0 DHADLP c1cc(C[NH+]2CCC(c3ccsc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000668008316 1035085644 /nfs/dbraw/zinc/08/56/44/1035085644.db2.gz TXKJICQFIUKIAO-UHFFFAOYSA-N 2 2 324.453 3.708 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C(C)(C)c1ccccc1 ZINC000482633799 1035150794 /nfs/dbraw/zinc/15/07/94/1035150794.db2.gz RJGQKESTRZBGKE-SJLPKXTDSA-N 2 2 300.490 3.959 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C(C)(C)c1ccccc1 ZINC000482633799 1035150796 /nfs/dbraw/zinc/15/07/96/1035150796.db2.gz RJGQKESTRZBGKE-SJLPKXTDSA-N 2 2 300.490 3.959 20 0 DHADLP Cc1[nH+]c2ccc(N)cc2n1-c1cccc(C[NH+]2CCCC2)c1 ZINC001176195752 1035217748 /nfs/dbraw/zinc/21/77/48/1035217748.db2.gz KWHXRZMOXKKREV-UHFFFAOYSA-N 2 2 306.413 3.512 20 0 DHADLP CCCCCCOc1ccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206269517 1035237195 /nfs/dbraw/zinc/23/71/95/1035237195.db2.gz PKPFFHCXAOXCGO-QGZVFWFLSA-N 2 2 304.478 3.687 20 0 DHADLP CCCCCCOc1ccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC001206269517 1035237199 /nfs/dbraw/zinc/23/71/99/1035237199.db2.gz PKPFFHCXAOXCGO-QGZVFWFLSA-N 2 2 304.478 3.687 20 0 DHADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000484467753 1035336429 /nfs/dbraw/zinc/33/64/29/1035336429.db2.gz ARUSXDQZAVNTDZ-QAPCUYQASA-N 2 2 306.519 3.898 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001176991153 1035341386 /nfs/dbraw/zinc/34/13/86/1035341386.db2.gz QAHGCIMLKVVBJK-QGZVFWFLSA-N 2 2 312.461 3.721 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cn1 ZINC001176991153 1035341391 /nfs/dbraw/zinc/34/13/91/1035341391.db2.gz QAHGCIMLKVVBJK-QGZVFWFLSA-N 2 2 312.461 3.721 20 0 DHADLP CC(C)OCCC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176985705 1035342148 /nfs/dbraw/zinc/34/21/48/1035342148.db2.gz YFRLOPRNYVQVIR-MRXNPFEDSA-N 2 2 307.482 3.633 20 0 DHADLP CC(C)OCCC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176985705 1035342151 /nfs/dbraw/zinc/34/21/51/1035342151.db2.gz YFRLOPRNYVQVIR-MRXNPFEDSA-N 2 2 307.482 3.633 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC001177713130 1035389103 /nfs/dbraw/zinc/38/91/03/1035389103.db2.gz USAUAWJPWIFTML-OAHLLOKOSA-N 2 2 309.388 3.905 20 0 DHADLP Cc1[nH+]cc(CNc2ccc(C(C)(C)[NH3+])cc2)n1-c1ccccc1 ZINC000904470066 1035417941 /nfs/dbraw/zinc/41/79/41/1035417941.db2.gz GFIQVQIXEKZBCV-UHFFFAOYSA-N 2 2 320.440 3.987 20 0 DHADLP CNc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001178408700 1035427845 /nfs/dbraw/zinc/42/78/45/1035427845.db2.gz FANGMGOHETZPAJ-OAHLLOKOSA-N 2 2 306.413 3.765 20 0 DHADLP Fc1ccccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203357344 1035443872 /nfs/dbraw/zinc/44/38/72/1035443872.db2.gz LQJYFSHDZRLHIW-ICSRJNTNSA-N 2 2 324.443 3.780 20 0 DHADLP Fc1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203357344 1035443876 /nfs/dbraw/zinc/44/38/76/1035443876.db2.gz LQJYFSHDZRLHIW-ICSRJNTNSA-N 2 2 324.443 3.780 20 0 DHADLP Fc1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203357344 1035443879 /nfs/dbraw/zinc/44/38/79/1035443879.db2.gz LQJYFSHDZRLHIW-ICSRJNTNSA-N 2 2 324.443 3.780 20 0 DHADLP Fc1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203357344 1035443883 /nfs/dbraw/zinc/44/38/83/1035443883.db2.gz LQJYFSHDZRLHIW-ICSRJNTNSA-N 2 2 324.443 3.780 20 0 DHADLP CCc1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC001178859680 1035452941 /nfs/dbraw/zinc/45/29/41/1035452941.db2.gz DWSWBOMBYCZBAS-UHFFFAOYSA-N 2 2 305.425 3.784 20 0 DHADLP C[C@H]1Cc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)ccc2O1 ZINC001179169332 1035468031 /nfs/dbraw/zinc/46/80/31/1035468031.db2.gz XVYMLKSGUKCOQL-KXBFYZLASA-N 2 2 314.473 3.507 20 0 DHADLP C[C@H]1Cc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)ccc2O1 ZINC001179169332 1035468033 /nfs/dbraw/zinc/46/80/33/1035468033.db2.gz XVYMLKSGUKCOQL-KXBFYZLASA-N 2 2 314.473 3.507 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC001179365643 1035475916 /nfs/dbraw/zinc/47/59/16/1035475916.db2.gz LDHOHBHGBIECSC-QZTJIDSGSA-N 2 2 318.530 3.772 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC001179365643 1035475918 /nfs/dbraw/zinc/47/59/18/1035475918.db2.gz LDHOHBHGBIECSC-QZTJIDSGSA-N 2 2 318.530 3.772 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CCCCC2(C)C)C1 ZINC001192930694 1035520949 /nfs/dbraw/zinc/52/09/49/1035520949.db2.gz XWAIVMOYFOCCDC-IAGOWNOFSA-N 2 2 303.494 3.891 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(C)C)C1 ZINC001192930694 1035520958 /nfs/dbraw/zinc/52/09/58/1035520958.db2.gz XWAIVMOYFOCCDC-IAGOWNOFSA-N 2 2 303.494 3.891 20 0 DHADLP CC[C@H](C)[C@@H](C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC001181536117 1035935021 /nfs/dbraw/zinc/93/50/21/1035935021.db2.gz XQPSKLGCLSIJHE-FXAWDEMLSA-N 2 2 318.505 3.644 20 0 DHADLP CC[C@H](C)[C@@H](C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1)OC ZINC001181536117 1035935029 /nfs/dbraw/zinc/93/50/29/1035935029.db2.gz XQPSKLGCLSIJHE-FXAWDEMLSA-N 2 2 318.505 3.644 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194418632 1036010401 /nfs/dbraw/zinc/01/04/01/1036010401.db2.gz IGFGCXYQTQVONS-CQSZACIVSA-N 2 2 319.474 3.567 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194418632 1036010420 /nfs/dbraw/zinc/01/04/20/1036010420.db2.gz IGFGCXYQTQVONS-CQSZACIVSA-N 2 2 319.474 3.567 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194418632 1036010442 /nfs/dbraw/zinc/01/04/42/1036010442.db2.gz IGFGCXYQTQVONS-CQSZACIVSA-N 2 2 319.474 3.567 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194418632 1036010461 /nfs/dbraw/zinc/01/04/61/1036010461.db2.gz IGFGCXYQTQVONS-CQSZACIVSA-N 2 2 319.474 3.567 20 0 DHADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000540598805 1036112270 /nfs/dbraw/zinc/11/22/70/1036112270.db2.gz UNAQNITZHIDXLA-CYBMUJFWSA-N 2 2 324.852 3.705 20 0 DHADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000540598805 1036112275 /nfs/dbraw/zinc/11/22/75/1036112275.db2.gz UNAQNITZHIDXLA-CYBMUJFWSA-N 2 2 324.852 3.705 20 0 DHADLP CC(C)CCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495061357 1036204365 /nfs/dbraw/zinc/20/43/65/1036204365.db2.gz CKYATWGQGDSYRN-QUCCMNQESA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495061357 1036204372 /nfs/dbraw/zinc/20/43/72/1036204372.db2.gz CKYATWGQGDSYRN-QUCCMNQESA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)CCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495061357 1036204391 /nfs/dbraw/zinc/20/43/91/1036204391.db2.gz CKYATWGQGDSYRN-QUCCMNQESA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)CCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000495061357 1036204416 /nfs/dbraw/zinc/20/44/16/1036204416.db2.gz CKYATWGQGDSYRN-QUCCMNQESA-N 2 2 316.489 3.638 20 0 DHADLP C[C@H](CC[NH2+]Cc1cccnc1Cl)[N@H+](C)Cc1ccccc1 ZINC000080206517 1036387148 /nfs/dbraw/zinc/38/71/48/1036387148.db2.gz HFLPJQGVGPWHEP-OAHLLOKOSA-N 2 2 317.864 3.735 20 0 DHADLP C[C@H](CC[NH2+]Cc1cccnc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000080206517 1036387166 /nfs/dbraw/zinc/38/71/66/1036387166.db2.gz HFLPJQGVGPWHEP-OAHLLOKOSA-N 2 2 317.864 3.735 20 0 DHADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccn(C)n1 ZINC000541732495 1036413568 /nfs/dbraw/zinc/41/35/68/1036413568.db2.gz MULVOICCWNIUEE-KDOFPFPSSA-N 2 2 323.444 3.716 20 0 DHADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001206541329 1036457488 /nfs/dbraw/zinc/45/74/88/1036457488.db2.gz GNUNLNYPYIPDDR-HNNXBMFYSA-N 2 2 301.261 3.944 20 0 DHADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC001206541329 1036457497 /nfs/dbraw/zinc/45/74/97/1036457497.db2.gz GNUNLNYPYIPDDR-HNNXBMFYSA-N 2 2 301.261 3.944 20 0 DHADLP CCOc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1F ZINC000486955469 1036484492 /nfs/dbraw/zinc/48/44/92/1036484492.db2.gz LFMFJRLZJKBOSI-UHFFFAOYSA-N 2 2 317.408 3.601 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CS1 ZINC001182960126 1036486011 /nfs/dbraw/zinc/48/60/11/1036486011.db2.gz OMAQZCQILYBNJK-ZOBUZTSGSA-N 2 2 310.551 3.903 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CS1 ZINC001182960126 1036486038 /nfs/dbraw/zinc/48/60/38/1036486038.db2.gz OMAQZCQILYBNJK-ZOBUZTSGSA-N 2 2 310.551 3.903 20 0 DHADLP CC1CC[NH+]([C@@H](C[NH2+]C[C@H]2CCSC2)c2ccccc2)CC1 ZINC000486961999 1036490692 /nfs/dbraw/zinc/49/06/92/1036490692.db2.gz XKJUZOVWTGUNFO-MJGOQNOKSA-N 2 2 318.530 3.802 20 0 DHADLP C[NH+]1C[C@@]2(C)C[NH+](CCSc3cccc(Cl)c3)C[C@]2(C)C1 ZINC001196631705 1036583236 /nfs/dbraw/zinc/58/32/36/1036583236.db2.gz HJYYSLXQGAUUTD-IRXDYDNUSA-N 2 2 324.921 3.706 20 0 DHADLP CCc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001197266118 1036720693 /nfs/dbraw/zinc/72/06/93/1036720693.db2.gz USVOSNICMJUISR-FQEVSTJZSA-N 2 2 305.425 3.977 20 0 DHADLP FCc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001197266337 1036721097 /nfs/dbraw/zinc/72/10/97/1036721097.db2.gz WXYXRFUTCVQPIH-LJQANCHMSA-N 2 2 309.388 3.884 20 0 DHADLP CC(C)CSCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001197263740 1036722170 /nfs/dbraw/zinc/72/21/70/1036722170.db2.gz AJNGHFKPPUXXMY-GOSISDBHSA-N 2 2 317.502 3.993 20 0 DHADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[C@@H]1C ZINC000487957104 1036794492 /nfs/dbraw/zinc/79/44/92/1036794492.db2.gz HMHXGZIUHJYVEC-LPHOPBHVSA-N 2 2 313.445 3.509 20 0 DHADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[C@@H]1C ZINC000487957104 1036794512 /nfs/dbraw/zinc/79/45/12/1036794512.db2.gz HMHXGZIUHJYVEC-LPHOPBHVSA-N 2 2 313.445 3.509 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000171690566 1036932656 /nfs/dbraw/zinc/93/26/56/1036932656.db2.gz FJUYCPDISLMJLX-UHFFFAOYSA-N 2 2 300.368 3.668 20 0 DHADLP Cc1nc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c(C)c(C)[nH+]1 ZINC001184829867 1036958961 /nfs/dbraw/zinc/95/89/61/1036958961.db2.gz FSKNTGHINRVWOA-KRWDZBQOSA-N 2 2 304.482 3.570 20 0 DHADLP Cc1cc(Cl)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001205318476 1036986562 /nfs/dbraw/zinc/98/65/62/1036986562.db2.gz UXKLXYPFQANSSN-NEPJUHHUSA-N 2 2 301.261 3.719 20 0 DHADLP Cc1cc(Cl)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001205318476 1036986573 /nfs/dbraw/zinc/98/65/73/1036986573.db2.gz UXKLXYPFQANSSN-NEPJUHHUSA-N 2 2 301.261 3.719 20 0 DHADLP Cc1cc(Cl)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001205318478 1036986953 /nfs/dbraw/zinc/98/69/53/1036986953.db2.gz UXKLXYPFQANSSN-RYUDHWBXSA-N 2 2 301.261 3.719 20 0 DHADLP Cc1cc(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001205318478 1036986971 /nfs/dbraw/zinc/98/69/71/1036986971.db2.gz UXKLXYPFQANSSN-RYUDHWBXSA-N 2 2 301.261 3.719 20 0 DHADLP CC(C)C1CC([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000488446308 1037028993 /nfs/dbraw/zinc/02/89/93/1037028993.db2.gz GYCSYHKYSVYDDX-LSJNQWAISA-N 2 2 301.478 3.631 20 0 DHADLP CCc1cc(NC[C@H](C)[N@H+](C)Cc2ccccc2)nc(CC)[nH+]1 ZINC001185386681 1037122582 /nfs/dbraw/zinc/12/25/82/1037122582.db2.gz DHEIPUJCUSNGEU-HNNXBMFYSA-N 2 2 312.461 3.534 20 0 DHADLP CCc1cc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)nc(CC)[nH+]1 ZINC001185386681 1037122590 /nfs/dbraw/zinc/12/25/90/1037122590.db2.gz DHEIPUJCUSNGEU-HNNXBMFYSA-N 2 2 312.461 3.534 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C(F)(F)F)C1 ZINC000176283226 1037131460 /nfs/dbraw/zinc/13/14/60/1037131460.db2.gz HYDLPZAPJCYEFN-AWEZNQCLSA-N 2 2 314.395 3.869 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C(F)(F)F)C1 ZINC000176283226 1037131472 /nfs/dbraw/zinc/13/14/72/1037131472.db2.gz HYDLPZAPJCYEFN-AWEZNQCLSA-N 2 2 314.395 3.869 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000176283226 1037131478 /nfs/dbraw/zinc/13/14/78/1037131478.db2.gz HYDLPZAPJCYEFN-AWEZNQCLSA-N 2 2 314.395 3.869 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000176283226 1037131481 /nfs/dbraw/zinc/13/14/81/1037131481.db2.gz HYDLPZAPJCYEFN-AWEZNQCLSA-N 2 2 314.395 3.869 20 0 DHADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)oc21 ZINC000317086876 1037178028 /nfs/dbraw/zinc/17/80/28/1037178028.db2.gz ANQYOXZLKVLWRD-VNHYZAJKSA-N 2 2 302.418 3.575 20 0 DHADLP COc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)oc21 ZINC000317086876 1037178036 /nfs/dbraw/zinc/17/80/36/1037178036.db2.gz ANQYOXZLKVLWRD-VNHYZAJKSA-N 2 2 302.418 3.575 20 0 DHADLP Cc1ccc(F)c(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000309798355 1037182694 /nfs/dbraw/zinc/18/26/94/1037182694.db2.gz POONDLAGYWGTHG-UHFFFAOYSA-N 2 2 300.421 3.746 20 0 DHADLP Cc1ccc(F)c(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000309798355 1037182698 /nfs/dbraw/zinc/18/26/98/1037182698.db2.gz POONDLAGYWGTHG-UHFFFAOYSA-N 2 2 300.421 3.746 20 0 DHADLP CCc1cc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001185746877 1037226215 /nfs/dbraw/zinc/22/62/15/1037226215.db2.gz VZWLZIIYUWWMRN-YJBOKZPZSA-N 2 2 324.472 3.676 20 0 DHADLP CCc1cc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001185746877 1037226229 /nfs/dbraw/zinc/22/62/29/1037226229.db2.gz VZWLZIIYUWWMRN-YJBOKZPZSA-N 2 2 324.472 3.676 20 0 DHADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1 ZINC000775953125 1037241757 /nfs/dbraw/zinc/24/17/57/1037241757.db2.gz BAFWGRPMUZIYQI-UHFFFAOYSA-N 2 2 311.351 3.814 20 0 DHADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1 ZINC000775953125 1037241772 /nfs/dbraw/zinc/24/17/72/1037241772.db2.gz BAFWGRPMUZIYQI-UHFFFAOYSA-N 2 2 311.351 3.814 20 0 DHADLP CCCCOc1cccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC001199367770 1037252649 /nfs/dbraw/zinc/25/26/49/1037252649.db2.gz ZSJYFRPTCLQPDU-UHFFFAOYSA-N 2 2 313.445 3.616 20 0 DHADLP CCC[C@H](C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001199376465 1037253555 /nfs/dbraw/zinc/25/35/55/1037253555.db2.gz JSQIOPHGDKIMJZ-AWEZNQCLSA-N 2 2 321.852 3.894 20 0 DHADLP CCC[C@@H](C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001199376466 1037254276 /nfs/dbraw/zinc/25/42/76/1037254276.db2.gz JSQIOPHGDKIMJZ-CQSZACIVSA-N 2 2 321.852 3.894 20 0 DHADLP FC(F)Sc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC001199649316 1037294591 /nfs/dbraw/zinc/29/45/91/1037294591.db2.gz UUQZLKWCAWFTHN-UHFFFAOYSA-N 2 2 311.401 3.768 20 0 DHADLP c1cc2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc2[nH]1 ZINC001199907470 1037361272 /nfs/dbraw/zinc/36/12/72/1037361272.db2.gz WZRHXMQOKVPPDK-UHFFFAOYSA-N 2 2 302.381 3.643 20 0 DHADLP C[NH+](C)[C@@]1(C[NH2+]Cc2ccc(C(C)(C)C)cc2)CCSC1 ZINC001200871672 1037454215 /nfs/dbraw/zinc/45/42/15/1037454215.db2.gz AIZZTBOGILZNAP-GOSISDBHSA-N 2 2 306.519 3.511 20 0 DHADLP c1ccc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccncc2)cc1 ZINC000156246387 1037917323 /nfs/dbraw/zinc/91/73/23/1037917323.db2.gz OQQVDCSVHHXTHT-NRFANRHFSA-N 2 2 321.468 3.635 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccccc2OC2CCCC2)CC1 ZINC000125205052 1037926081 /nfs/dbraw/zinc/92/60/81/1037926081.db2.gz WJODKASDETUMSN-UHFFFAOYSA-N 2 2 316.489 3.924 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2OC2CCCC2)CC1 ZINC000125205052 1037926091 /nfs/dbraw/zinc/92/60/91/1037926091.db2.gz WJODKASDETUMSN-UHFFFAOYSA-N 2 2 316.489 3.924 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCSCC1 ZINC000187208020 1037953305 /nfs/dbraw/zinc/95/33/05/1037953305.db2.gz GABOUKOPPSJPJX-APWZRJJASA-N 2 2 318.530 3.772 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCSCC1 ZINC000187208020 1037953311 /nfs/dbraw/zinc/95/33/11/1037953311.db2.gz GABOUKOPPSJPJX-APWZRJJASA-N 2 2 318.530 3.772 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC23CCCC3)[nH+]1 ZINC000189058355 1038044685 /nfs/dbraw/zinc/04/46/85/1038044685.db2.gz DAZFSEDDBHSXCB-GOSISDBHSA-N 2 2 309.457 3.786 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1csc(-c2ccccc2)n1 ZINC000571177726 1038083879 /nfs/dbraw/zinc/08/38/79/1038083879.db2.gz OPCKPKXQRBVYLF-JSGCOSHPSA-N 2 2 324.453 3.741 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000494403618 1038085689 /nfs/dbraw/zinc/08/56/89/1038085689.db2.gz IEGXUVMWKOIRTI-QGZVFWFLSA-N 2 2 319.408 3.780 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000494427845 1038097262 /nfs/dbraw/zinc/09/72/62/1038097262.db2.gz UDASXPMIQGVTJY-IBGZPJMESA-N 2 2 303.409 3.655 20 0 DHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccc(F)cc2Cl)C1 ZINC000571412840 1038138439 /nfs/dbraw/zinc/13/84/39/1038138439.db2.gz DKBSPZITGIVMEA-HNNXBMFYSA-N 2 2 324.871 3.685 20 0 DHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccc(F)cc2Cl)C1 ZINC000571412840 1038138444 /nfs/dbraw/zinc/13/84/44/1038138444.db2.gz DKBSPZITGIVMEA-HNNXBMFYSA-N 2 2 324.871 3.685 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC000571412840 1038138449 /nfs/dbraw/zinc/13/84/49/1038138449.db2.gz DKBSPZITGIVMEA-HNNXBMFYSA-N 2 2 324.871 3.685 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000571412840 1038138452 /nfs/dbraw/zinc/13/84/52/1038138452.db2.gz DKBSPZITGIVMEA-HNNXBMFYSA-N 2 2 324.871 3.685 20 0 DHADLP C[C@@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000127581895 1038198299 /nfs/dbraw/zinc/19/82/99/1038198299.db2.gz QSJZREMXNRCUGU-INIZCTEOSA-N 2 2 323.415 3.964 20 0 DHADLP C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694837 1039133624 /nfs/dbraw/zinc/13/36/24/1039133624.db2.gz JUXCCVPGRSXTCU-NVXWUHKLSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@H](c1ccncc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694837 1039133631 /nfs/dbraw/zinc/13/36/31/1039133631.db2.gz JUXCCVPGRSXTCU-NVXWUHKLSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)CSCCF)c1ccccc1 ZINC000595009345 1040020452 /nfs/dbraw/zinc/02/04/52/1040020452.db2.gz REKCSDRIUJXEOJ-LSDHHAIUSA-N 2 2 312.498 3.797 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccccc1 ZINC000608071141 1040363106 /nfs/dbraw/zinc/36/31/06/1040363106.db2.gz IGEBHDBOKTUVSU-GOSISDBHSA-N 2 2 309.388 3.633 20 0 DHADLP Cc1ccc(F)c(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000608069003 1040365331 /nfs/dbraw/zinc/36/53/31/1040365331.db2.gz RKHDXVYFFVRPIO-IBGZPJMESA-N 2 2 323.415 3.941 20 0 DHADLP Clc1ccc(Oc2ccccc2C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000090487821 185298892 /nfs/dbraw/zinc/29/88/92/185298892.db2.gz ZOFMUBRNVSIXOL-MRXNPFEDSA-N 2 2 316.832 3.974 20 0 DHADLP c1cn(C2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)c[nH+]1 ZINC000092648323 185331198 /nfs/dbraw/zinc/33/11/98/185331198.db2.gz FEWGVWPTJWGCFK-UHFFFAOYSA-N 2 2 307.397 3.980 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3o2)[C@@H]1c1cccnc1 ZINC000328652636 529793926 /nfs/dbraw/zinc/79/39/26/529793926.db2.gz WNZYKAJNNPIPTN-PXNSSMCTSA-N 2 2 321.424 3.610 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3o2)[C@@H]1c1cccnc1 ZINC000328652636 529793927 /nfs/dbraw/zinc/79/39/27/529793927.db2.gz WNZYKAJNNPIPTN-PXNSSMCTSA-N 2 2 321.424 3.610 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000081568631 192294138 /nfs/dbraw/zinc/29/41/38/192294138.db2.gz KEZQVZWJRDWJNK-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000081568631 192294140 /nfs/dbraw/zinc/29/41/40/192294140.db2.gz KEZQVZWJRDWJNK-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000081568631 192294142 /nfs/dbraw/zinc/29/41/42/192294142.db2.gz KEZQVZWJRDWJNK-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000081568631 192294144 /nfs/dbraw/zinc/29/41/44/192294144.db2.gz KEZQVZWJRDWJNK-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000019232631 182110398 /nfs/dbraw/zinc/11/03/98/182110398.db2.gz KDTJJOMETYSHTE-SFHVURJKSA-N 2 2 300.471 3.983 20 0 DHADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(F)c(Cl)cc1Cl ZINC000041064055 183160868 /nfs/dbraw/zinc/16/08/68/183160868.db2.gz QLAQBAXWQFEKAI-VIFPVBQESA-N 2 2 302.180 3.680 20 0 DHADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1 ZINC000343312899 335060253 /nfs/dbraw/zinc/06/02/53/335060253.db2.gz DZZDZXCVRMSXDE-UHFFFAOYSA-N 2 2 322.250 3.558 20 0 DHADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1 ZINC000343312899 335060256 /nfs/dbraw/zinc/06/02/56/335060256.db2.gz DZZDZXCVRMSXDE-UHFFFAOYSA-N 2 2 322.250 3.558 20 0 DHADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000272481198 130035414 /nfs/dbraw/zinc/03/54/14/130035414.db2.gz JJOXWTGZYVAXMM-WMLDXEAASA-N 2 2 321.415 3.684 20 0 DHADLP CCSc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000274603358 130248821 /nfs/dbraw/zinc/24/88/21/130248821.db2.gz RPORSZUDNJZKJB-HNNXBMFYSA-N 2 2 301.459 3.901 20 0 DHADLP CCSc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000274603358 130248822 /nfs/dbraw/zinc/24/88/22/130248822.db2.gz RPORSZUDNJZKJB-HNNXBMFYSA-N 2 2 301.459 3.901 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000275250133 130299346 /nfs/dbraw/zinc/29/93/46/130299346.db2.gz PBXDAMJGPSUYEB-NRFANRHFSA-N 2 2 324.468 3.768 20 0 DHADLP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2n1 ZINC000275739024 130375943 /nfs/dbraw/zinc/37/59/43/130375943.db2.gz QOZJPMABIKAHKB-QGZVFWFLSA-N 2 2 306.413 3.646 20 0 DHADLP Cc1ccc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2n1 ZINC000275739024 130375946 /nfs/dbraw/zinc/37/59/46/130375946.db2.gz QOZJPMABIKAHKB-QGZVFWFLSA-N 2 2 306.413 3.646 20 0 DHADLP CCC[NH+](CCC)CCCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000275843473 130397066 /nfs/dbraw/zinc/39/70/66/130397066.db2.gz JOYFLCKNQQHRPR-GOSISDBHSA-N 2 2 314.477 3.601 20 0 DHADLP CCOc1ccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000366627212 131024134 /nfs/dbraw/zinc/02/41/34/131024134.db2.gz LSIMPFCNWUNDPS-UHFFFAOYSA-N 2 2 302.462 3.582 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000284242272 131063246 /nfs/dbraw/zinc/06/32/46/131063246.db2.gz IDQQSSTYMNNDDF-CDHQVMDDSA-N 2 2 310.441 3.723 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000286048319 131217120 /nfs/dbraw/zinc/21/71/20/131217120.db2.gz KVVXYNVHUWIQMT-CMKODMSKSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000286048319 131217121 /nfs/dbraw/zinc/21/71/21/131217121.db2.gz KVVXYNVHUWIQMT-CMKODMSKSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000286181075 131223658 /nfs/dbraw/zinc/22/36/58/131223658.db2.gz QUWODDUCWHMSMN-INIZCTEOSA-N 2 2 301.478 3.838 20 0 DHADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(C2CC2)c1 ZINC000340266595 131309816 /nfs/dbraw/zinc/30/98/16/131309816.db2.gz YLZZQJAUULECDG-RDTXWAMCSA-N 2 2 304.503 3.652 20 0 DHADLP CC[N@H+](C)Cc1cccc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289068900 131355683 /nfs/dbraw/zinc/35/56/83/131355683.db2.gz ADUHYODKUJVQPP-UHFFFAOYSA-N 3 2 311.473 3.564 20 0 DHADLP CC[N@@H+](C)Cc1cccc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289068900 131355684 /nfs/dbraw/zinc/35/56/84/131355684.db2.gz ADUHYODKUJVQPP-UHFFFAOYSA-N 3 2 311.473 3.564 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000289208133 131366303 /nfs/dbraw/zinc/36/63/03/131366303.db2.gz IHGKNRRAIZXORK-ROUUACIJSA-N 2 2 314.429 3.504 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000289208133 131366304 /nfs/dbraw/zinc/36/63/04/131366304.db2.gz IHGKNRRAIZXORK-ROUUACIJSA-N 2 2 314.429 3.504 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000289313380 131373616 /nfs/dbraw/zinc/37/36/16/131373616.db2.gz SGSUMDOQFBHPRM-SFHVURJKSA-N 2 2 316.445 3.919 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000289359453 131377715 /nfs/dbraw/zinc/37/77/15/131377715.db2.gz KDNVPGSSVBNVPR-LSDHHAIUSA-N 2 2 313.272 3.838 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000289359453 131377716 /nfs/dbraw/zinc/37/77/16/131377716.db2.gz KDNVPGSSVBNVPR-LSDHHAIUSA-N 2 2 313.272 3.838 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000298234646 132051762 /nfs/dbraw/zinc/05/17/62/132051762.db2.gz BQONBHMARYNQCD-UHFFFAOYSA-N 2 2 301.409 3.547 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000298234646 132051763 /nfs/dbraw/zinc/05/17/63/132051763.db2.gz BQONBHMARYNQCD-UHFFFAOYSA-N 2 2 301.409 3.547 20 0 DHADLP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000120361444 132141716 /nfs/dbraw/zinc/14/17/16/132141716.db2.gz AIDYZGSYTWNXAO-ZDUSSCGKSA-N 2 2 314.420 3.539 20 0 DHADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OCc2ccccc2)cc1 ZINC000194336011 335067426 /nfs/dbraw/zinc/06/74/26/335067426.db2.gz BUINFGYLMDENAQ-KRWDZBQOSA-N 2 2 321.424 3.813 20 0 DHADLP Cc1c[nH+]c(C)nc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000519181865 435674291 /nfs/dbraw/zinc/67/42/91/435674291.db2.gz TWKDGVHPRCEWSF-UHFFFAOYSA-N 2 2 310.445 3.691 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186332213 332921842 /nfs/dbraw/zinc/92/18/42/332921842.db2.gz PKXOEURMSMAQCM-MDZRGWNJSA-N 2 2 300.446 3.882 20 0 DHADLP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000556599966 331719216 /nfs/dbraw/zinc/71/92/16/331719216.db2.gz CWMKAGKFRSPKTH-ZWKOTPCHSA-N 2 2 302.462 3.610 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C[N@@H+]1C1CC1 ZINC000129753388 332020464 /nfs/dbraw/zinc/02/04/64/332020464.db2.gz JGHQZBKVPDRPKD-AXAPSJFSSA-N 2 2 306.450 3.577 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C[N@H+]1C1CC1 ZINC000129753388 332020465 /nfs/dbraw/zinc/02/04/65/332020465.db2.gz JGHQZBKVPDRPKD-AXAPSJFSSA-N 2 2 306.450 3.577 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2Br)c2ccccc21 ZINC000132048122 332089457 /nfs/dbraw/zinc/08/94/57/332089457.db2.gz QFLMPEVGAWGPFH-HZPDHXFCSA-N 2 2 317.230 3.684 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1-c1cccs1 ZINC000427130099 332168102 /nfs/dbraw/zinc/16/81/02/332168102.db2.gz DVZNSOYPDOALAM-PBHICJAKSA-N 2 2 316.445 3.738 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1-c1cccs1 ZINC000427130099 332168104 /nfs/dbraw/zinc/16/81/04/332168104.db2.gz DVZNSOYPDOALAM-PBHICJAKSA-N 2 2 316.445 3.738 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427111770 332168633 /nfs/dbraw/zinc/16/86/33/332168633.db2.gz VKYCKQVZZDZDBO-QUCCMNQESA-N 2 2 322.452 3.546 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427111770 332168635 /nfs/dbraw/zinc/16/86/35/332168635.db2.gz VKYCKQVZZDZDBO-QUCCMNQESA-N 2 2 322.452 3.546 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C[N@@H+]1C1CC1 ZINC000449432695 332175838 /nfs/dbraw/zinc/17/58/38/332175838.db2.gz IRQDXUYVISNVAT-ABHRYQDASA-N 2 2 304.400 3.712 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C[N@H+]1C1CC1 ZINC000449432695 332175840 /nfs/dbraw/zinc/17/58/40/332175840.db2.gz IRQDXUYVISNVAT-ABHRYQDASA-N 2 2 304.400 3.712 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](CC(C)C)c1ccccn1)CCC2 ZINC000363755817 332240648 /nfs/dbraw/zinc/24/06/48/332240648.db2.gz FXLYGKRMTMOBOY-SJLPKXTDSA-N 2 2 312.461 3.841 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)CCC2 ZINC000363756919 332240701 /nfs/dbraw/zinc/24/07/01/332240701.db2.gz IRNHNWOKZUSTCZ-MOPGFXCFSA-N 2 2 309.457 3.680 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CC1 ZINC000560247611 332323427 /nfs/dbraw/zinc/32/34/27/332323427.db2.gz WULWJFFLPIWGPE-FQEVSTJZSA-N 2 2 319.452 3.796 20 0 DHADLP Cc1cc(OCCC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)ccc1Cl ZINC000562056856 332539508 /nfs/dbraw/zinc/53/95/08/332539508.db2.gz LSMWCXVELQIWFO-CABCVRRESA-N 2 2 312.885 3.736 20 0 DHADLP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427876173 332552592 /nfs/dbraw/zinc/55/25/92/332552592.db2.gz VCMXHFDZNRBBPQ-IAQYHMDHSA-N 2 2 322.239 3.782 20 0 DHADLP c1csc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCCC2)c1 ZINC000427877585 332552943 /nfs/dbraw/zinc/55/29/43/332552943.db2.gz PAOSAZHYYGWFOQ-YOEHRIQHSA-N 2 2 301.459 3.781 20 0 DHADLP CCCCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000314076499 333085899 /nfs/dbraw/zinc/08/58/99/333085899.db2.gz UTHSQWRNXDJBTQ-SFHVURJKSA-N 2 2 304.478 3.830 20 0 DHADLP CCCCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000314076499 333085900 /nfs/dbraw/zinc/08/59/00/333085900.db2.gz UTHSQWRNXDJBTQ-SFHVURJKSA-N 2 2 304.478 3.830 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000177374264 333128138 /nfs/dbraw/zinc/12/81/38/333128138.db2.gz NSOUJGZPKWAIMK-YSSFQJQWSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000177374264 333128140 /nfs/dbraw/zinc/12/81/40/333128140.db2.gz NSOUJGZPKWAIMK-YSSFQJQWSA-N 2 2 312.432 3.987 20 0 DHADLP Cc1cscc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309949131 333209631 /nfs/dbraw/zinc/20/96/31/333209631.db2.gz LZYZEAUHZBTWSZ-CRAIPNDOSA-N 2 2 300.471 3.809 20 0 DHADLP Cc1cscc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309949131 333209632 /nfs/dbraw/zinc/20/96/32/333209632.db2.gz LZYZEAUHZBTWSZ-CRAIPNDOSA-N 2 2 300.471 3.809 20 0 DHADLP C[C@H](CCc1ccsc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000497389664 333244545 /nfs/dbraw/zinc/24/45/45/333244545.db2.gz NJAGRHGASWJKRB-OAHLLOKOSA-N 2 2 315.486 3.723 20 0 DHADLP C[C@H]([NH2+]CC[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000390210989 333248399 /nfs/dbraw/zinc/24/83/99/333248399.db2.gz DQNGIVYNWPUZDV-SFHVURJKSA-N 2 2 308.469 3.892 20 0 DHADLP COc1ccc(F)cc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000319355680 333286654 /nfs/dbraw/zinc/28/66/54/333286654.db2.gz UMCLIOHMEXREOZ-UHFFFAOYSA-N 2 2 308.441 3.579 20 0 DHADLP COc1ccc(F)cc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000319355680 333286655 /nfs/dbraw/zinc/28/66/55/333286655.db2.gz UMCLIOHMEXREOZ-UHFFFAOYSA-N 2 2 308.441 3.579 20 0 DHADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390530537 333292039 /nfs/dbraw/zinc/29/20/39/333292039.db2.gz LTWHIORYDNDYBB-PKOBYXMFSA-N 2 2 310.441 3.911 20 0 DHADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390530537 333292041 /nfs/dbraw/zinc/29/20/41/333292041.db2.gz LTWHIORYDNDYBB-PKOBYXMFSA-N 2 2 310.441 3.911 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497854671 333302214 /nfs/dbraw/zinc/30/22/14/333302214.db2.gz XBZRVTGHSSZGDN-RBUKOAKNSA-N 2 2 302.437 3.836 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497854671 333302215 /nfs/dbraw/zinc/30/22/15/333302215.db2.gz XBZRVTGHSSZGDN-RBUKOAKNSA-N 2 2 302.437 3.836 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000319554375 333315577 /nfs/dbraw/zinc/31/55/77/333315577.db2.gz QXSYORCBJQDJRW-RDTXWAMCSA-N 2 2 315.486 3.535 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000319554375 333315578 /nfs/dbraw/zinc/31/55/78/333315578.db2.gz QXSYORCBJQDJRW-RDTXWAMCSA-N 2 2 315.486 3.535 20 0 DHADLP CC(C)c1nc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc[nH+]1 ZINC000110537945 333327612 /nfs/dbraw/zinc/32/76/12/333327612.db2.gz XKEVNDQOMYNNRN-GOSISDBHSA-N 2 2 324.472 3.577 20 0 DHADLP CC(C)c1nc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc[nH+]1 ZINC000110537945 333327614 /nfs/dbraw/zinc/32/76/14/333327614.db2.gz XKEVNDQOMYNNRN-GOSISDBHSA-N 2 2 324.472 3.577 20 0 DHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000121370805 333386197 /nfs/dbraw/zinc/38/61/97/333386197.db2.gz GYFUXPIEUDJALF-GOSISDBHSA-N 2 2 313.420 3.930 20 0 DHADLP Cc1ccc2ncc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc2c1 ZINC000411310012 333652296 /nfs/dbraw/zinc/65/22/96/333652296.db2.gz NDEQQLPMQSLHAP-UHFFFAOYSA-N 2 2 306.413 3.646 20 0 DHADLP Clc1cccc([C@@H]2CC[C@@H]([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000414146578 333903004 /nfs/dbraw/zinc/90/30/04/333903004.db2.gz VHRHHDUZEPAQGT-DJIMGWMZSA-N 2 2 315.848 3.777 20 0 DHADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1C[C@H]1C ZINC000414113624 333905394 /nfs/dbraw/zinc/90/53/94/333905394.db2.gz KXJUAHYWDZVVFN-SFNKJDCFSA-N 2 2 316.489 3.521 20 0 DHADLP Fc1cncc([C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)c1 ZINC000343462800 335166637 /nfs/dbraw/zinc/16/66/37/335166637.db2.gz AWDICOQJLPFIOA-GOSISDBHSA-N 2 2 314.408 3.549 20 0 DHADLP Cc1cccc([C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C(C)(C)C)c1 ZINC000414358065 333944660 /nfs/dbraw/zinc/94/46/60/333944660.db2.gz BEYKKAZDSXVCSN-KRWDZBQOSA-N 2 2 314.477 3.672 20 0 DHADLP C[N@H+](Cc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000414756956 334086296 /nfs/dbraw/zinc/08/62/96/334086296.db2.gz WGERRCRGWIBGCH-ZDUSSCGKSA-N 2 2 320.786 3.933 20 0 DHADLP C[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000414756956 334086298 /nfs/dbraw/zinc/08/62/98/334086298.db2.gz WGERRCRGWIBGCH-ZDUSSCGKSA-N 2 2 320.786 3.933 20 0 DHADLP CCC([NH3+])(CC)C[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000414798758 334100711 /nfs/dbraw/zinc/10/07/11/334100711.db2.gz FPSUETBMPAIIGA-UHFFFAOYSA-N 2 2 303.475 3.726 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000414817946 334107234 /nfs/dbraw/zinc/10/72/34/334107234.db2.gz UIUOWROCVCYPQJ-CQSZACIVSA-N 2 2 307.438 3.556 20 0 DHADLP Cc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1C(F)(F)F ZINC000414824521 334108780 /nfs/dbraw/zinc/10/87/80/334108780.db2.gz AUIAGWCCUMFYDC-INIZCTEOSA-N 2 2 308.347 3.803 20 0 DHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](C[NH3+])C3CCCCC3)CC2)C1 ZINC000414835774 334111383 /nfs/dbraw/zinc/11/13/83/334111383.db2.gz HTSBOWGGSKOVEK-UXPWSPDFSA-N 3 2 321.553 3.527 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1 ZINC000414841242 334112916 /nfs/dbraw/zinc/11/29/16/334112916.db2.gz HMFWPWGEAFSIFH-QRVBRYPASA-N 2 2 304.478 3.603 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C[C@H](C)CC2CCOCC2)cc1 ZINC000414844205 334113439 /nfs/dbraw/zinc/11/34/39/334113439.db2.gz KOMGYHMEWUOXNA-OXQOHEQNSA-N 2 2 318.505 3.852 20 0 DHADLP CC1=CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CC1 ZINC000285334056 334147078 /nfs/dbraw/zinc/14/70/78/334147078.db2.gz UKOLFPKCXVOKMR-INIZCTEOSA-N 2 2 314.477 3.523 20 0 DHADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000414923504 334183854 /nfs/dbraw/zinc/18/38/54/334183854.db2.gz FKMQTDJYRWOTJV-AWEZNQCLSA-N 2 2 321.515 3.739 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC34CCCC4)CC2)nc1 ZINC000293706725 334201330 /nfs/dbraw/zinc/20/13/30/334201330.db2.gz LPZLQUWBAIEWEL-LJQANCHMSA-N 2 2 313.489 3.749 20 0 DHADLP Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000414940197 334202193 /nfs/dbraw/zinc/20/21/93/334202193.db2.gz XKDFDHNXHCERGH-GOSISDBHSA-N 2 2 324.453 3.683 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000414941358 334202288 /nfs/dbraw/zinc/20/22/88/334202288.db2.gz AKACKPITGHIXGG-FMKPAKJESA-N 2 2 312.379 3.584 20 0 DHADLP Cc1ccc2cc(C[NH2+]C[C@H]3[NH2+]CCc4ccccc43)ccc2n1 ZINC000414953860 334207956 /nfs/dbraw/zinc/20/79/56/334207956.db2.gz KFECACMWEXQACC-OAQYLSRUSA-N 2 2 317.436 3.520 20 0 DHADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415087240 334275726 /nfs/dbraw/zinc/27/57/26/334275726.db2.gz SQGLQMCYCGXRAM-BYCMXARLSA-N 2 2 318.358 3.939 20 0 DHADLP c1sc2ccccc2c1C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415037129 334260512 /nfs/dbraw/zinc/26/05/12/334260512.db2.gz GGYLFUXMQIIDTP-ZWKOTPCHSA-N 2 2 308.450 3.747 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000415061324 334261900 /nfs/dbraw/zinc/26/19/00/334261900.db2.gz CJIFIIHUSLJNJL-SWLSCSKDSA-N 2 2 302.384 3.960 20 0 DHADLP FC(F)(F)c1ccccc1C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415061266 334262067 /nfs/dbraw/zinc/26/20/67/334262067.db2.gz ZWZLLQPNAMDWJS-DOTOQJQBSA-N 2 2 320.358 3.551 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000415063245 334262408 /nfs/dbraw/zinc/26/24/08/334262408.db2.gz HKSGTNCOVAOGHV-NRFANRHFSA-N 2 2 323.484 3.507 20 0 DHADLP CSc1cccc([C@@H]([NH2+]CCC[NH3+])c2cc(F)ccc2F)c1 ZINC000415075389 334267011 /nfs/dbraw/zinc/26/70/11/334267011.db2.gz DZTBOXLNTHMPQD-QGZVFWFLSA-N 2 2 322.424 3.715 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453402596 334269271 /nfs/dbraw/zinc/26/92/71/334269271.db2.gz AHOYOQBJVZFWLP-HNNXBMFYSA-N 2 2 304.400 3.572 20 0 DHADLP CCOc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415108728 334281516 /nfs/dbraw/zinc/28/15/16/334281516.db2.gz OWHSTKOVKQBZDF-UYAOXDASSA-N 2 2 310.441 3.516 20 0 DHADLP CCCC[C@H](CC)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415126925 334283764 /nfs/dbraw/zinc/28/37/64/334283764.db2.gz HIFLRTLHFOKKBM-IBGZPJMESA-N 3 2 317.521 3.538 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@H](C(C)C)[C@H](C)C2)CC1 ZINC000534630285 334305399 /nfs/dbraw/zinc/30/53/99/334305399.db2.gz PJZLLRKVVLUZTR-ZHALLVOQSA-N 2 2 324.553 3.926 20 0 DHADLP CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000531958680 334314488 /nfs/dbraw/zinc/31/44/88/334314488.db2.gz PLGQKAUHKOHFCX-CQSZACIVSA-N 2 2 323.444 3.556 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000534753188 334336666 /nfs/dbraw/zinc/33/66/66/334336666.db2.gz GNVFJQSJCZFBOL-SJORKVTESA-N 2 2 324.921 3.914 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000534753188 334336668 /nfs/dbraw/zinc/33/66/68/334336668.db2.gz GNVFJQSJCZFBOL-SJORKVTESA-N 2 2 324.921 3.914 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000534753188 334336670 /nfs/dbraw/zinc/33/66/70/334336670.db2.gz GNVFJQSJCZFBOL-SJORKVTESA-N 2 2 324.921 3.914 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000534753188 334336671 /nfs/dbraw/zinc/33/66/71/334336671.db2.gz GNVFJQSJCZFBOL-SJORKVTESA-N 2 2 324.921 3.914 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000531974931 334340663 /nfs/dbraw/zinc/34/06/63/334340663.db2.gz BTYOQTDVZKKLHY-IAGOWNOFSA-N 2 2 318.505 3.658 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000531974932 334340739 /nfs/dbraw/zinc/34/07/39/334340739.db2.gz BTYOQTDVZKKLHY-IRXDYDNUSA-N 2 2 318.505 3.658 20 0 DHADLP CC1(C)CCC[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000443090781 338444084 /nfs/dbraw/zinc/44/40/84/338444084.db2.gz WXQAOKHJSOVXCQ-SFHVURJKSA-N 2 2 301.478 3.604 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c2ccccc12 ZINC000531984230 334359190 /nfs/dbraw/zinc/35/91/90/334359190.db2.gz PIPHDVCYUGROGZ-HOTGVXAUSA-N 2 2 312.457 3.841 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c2ccccc12 ZINC000531984230 334359191 /nfs/dbraw/zinc/35/91/91/334359191.db2.gz PIPHDVCYUGROGZ-HOTGVXAUSA-N 2 2 312.457 3.841 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000531988459 334362031 /nfs/dbraw/zinc/36/20/31/334362031.db2.gz FGHVKUQURWWWNA-LRDDRELGSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000531988459 334362032 /nfs/dbraw/zinc/36/20/32/334362032.db2.gz FGHVKUQURWWWNA-LRDDRELGSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000531988459 334362033 /nfs/dbraw/zinc/36/20/33/334362033.db2.gz FGHVKUQURWWWNA-LRDDRELGSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000531988459 334362034 /nfs/dbraw/zinc/36/20/34/334362034.db2.gz FGHVKUQURWWWNA-LRDDRELGSA-N 2 2 313.272 3.910 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1F ZINC000531991956 334366015 /nfs/dbraw/zinc/36/60/15/334366015.db2.gz HJKBDALEONEEFI-BFQNTYOBSA-N 2 2 308.466 3.681 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1F ZINC000531991956 334366016 /nfs/dbraw/zinc/36/60/16/334366016.db2.gz HJKBDALEONEEFI-BFQNTYOBSA-N 2 2 308.466 3.681 20 0 DHADLP c1ccc([C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C2CC2)cc1 ZINC000341424798 334444596 /nfs/dbraw/zinc/44/45/96/334444596.db2.gz NRCLTTTYCPDRNE-OAQYLSRUSA-N 2 2 321.468 3.787 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCCn1cc[nH+]c1 ZINC000342117178 334511286 /nfs/dbraw/zinc/51/12/86/334511286.db2.gz HFJJGUJSGHFNOU-UVTDQMKNSA-N 2 2 323.362 3.985 20 0 DHADLP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000449011525 338582835 /nfs/dbraw/zinc/58/28/35/338582835.db2.gz QUGAIOMGCJXJAL-UHFFFAOYSA-N 2 2 307.290 3.829 20 0 DHADLP CC(C)Cc1ccc([C@H](C[NH2+]C[C@@H]2CCCOC2)[NH+](C)C)cc1 ZINC000342315311 334531680 /nfs/dbraw/zinc/53/16/80/334531680.db2.gz ZLDFYJXAHSKHOU-ICSRJNTNSA-N 2 2 318.505 3.504 20 0 DHADLP [NH3+]C1CC[NH+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000430646040 334739810 /nfs/dbraw/zinc/73/98/10/334739810.db2.gz CYGWXJKPHCADNO-UHFFFAOYSA-N 2 2 318.367 3.680 20 0 DHADLP CC1(C)CCC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000443800354 338460775 /nfs/dbraw/zinc/46/07/75/338460775.db2.gz LAQCDYKTSKORMY-INIZCTEOSA-N 2 2 301.478 3.856 20 0 DHADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000563700443 334884767 /nfs/dbraw/zinc/88/47/67/334884767.db2.gz IMSJOKHDSSLXQY-KGLIPLIRSA-N 2 2 319.474 3.804 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000343271925 334896118 /nfs/dbraw/zinc/89/61/18/334896118.db2.gz SGIWUZROYPMAFK-GFCCVEGCSA-N 2 2 317.339 3.600 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000343924005 335202430 /nfs/dbraw/zinc/20/24/30/335202430.db2.gz JTDDILFFYZWLSN-OWCLPIDISA-N 2 2 322.518 3.558 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000343924005 335202431 /nfs/dbraw/zinc/20/24/31/335202431.db2.gz JTDDILFFYZWLSN-OWCLPIDISA-N 2 2 322.518 3.558 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCCc3ccc(F)cc31)CCC2 ZINC000344112621 335218038 /nfs/dbraw/zinc/21/80/38/335218038.db2.gz VHQUAWPUKBZVKD-CRAIPNDOSA-N 2 2 313.420 3.875 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3ccc(F)cc31)CCC2 ZINC000344112629 335218127 /nfs/dbraw/zinc/21/81/27/335218127.db2.gz VHQUAWPUKBZVKD-YJBOKZPZSA-N 2 2 313.420 3.875 20 0 DHADLP CN(C)c1ccccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000344115512 335218730 /nfs/dbraw/zinc/21/87/30/335218730.db2.gz OCDUFCWBDGXFKX-UHFFFAOYSA-N 2 2 320.440 3.570 20 0 DHADLP CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000344115512 335218732 /nfs/dbraw/zinc/21/87/32/335218732.db2.gz OCDUFCWBDGXFKX-UHFFFAOYSA-N 2 2 320.440 3.570 20 0 DHADLP Cc1cccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000344200340 335224552 /nfs/dbraw/zinc/22/45/52/335224552.db2.gz YWRJROBHAPTYFB-UHFFFAOYSA-N 2 2 309.388 3.652 20 0 DHADLP CCC(CC)[C@H](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OC ZINC000344331427 335241460 /nfs/dbraw/zinc/24/14/60/335241460.db2.gz XJRLPQKYNIJNDF-KRWDZBQOSA-N 2 2 321.490 3.865 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccsc1C(F)(F)F ZINC000529569293 335247134 /nfs/dbraw/zinc/24/71/34/335247134.db2.gz NSPFTQSAXXAXDN-JQWIXIFHSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccsc1C(F)(F)F ZINC000529569293 335247135 /nfs/dbraw/zinc/24/71/35/335247135.db2.gz NSPFTQSAXXAXDN-JQWIXIFHSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccsc1C(F)(F)F ZINC000529569293 335247136 /nfs/dbraw/zinc/24/71/36/335247136.db2.gz NSPFTQSAXXAXDN-JQWIXIFHSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccsc1C(F)(F)F ZINC000529569293 335247137 /nfs/dbraw/zinc/24/71/37/335247137.db2.gz NSPFTQSAXXAXDN-JQWIXIFHSA-N 2 2 306.397 3.539 20 0 DHADLP Cc1ccoc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000344522831 335255134 /nfs/dbraw/zinc/25/51/34/335255134.db2.gz ICQWCTHPCSPSOI-PBHICJAKSA-N 2 2 304.459 3.822 20 0 DHADLP Cc1ccoc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000344522831 335255135 /nfs/dbraw/zinc/25/51/35/335255135.db2.gz ICQWCTHPCSPSOI-PBHICJAKSA-N 2 2 304.459 3.822 20 0 DHADLP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000344739188 335272521 /nfs/dbraw/zinc/27/25/21/335272521.db2.gz FEIIXVZBTUKKKQ-LVCYWYKZSA-N 2 2 323.484 3.513 20 0 DHADLP C[C@@H](Cc1ccncc1)[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000344739188 335272522 /nfs/dbraw/zinc/27/25/22/335272522.db2.gz FEIIXVZBTUKKKQ-LVCYWYKZSA-N 2 2 323.484 3.513 20 0 DHADLP COc1ccc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346129060 335379099 /nfs/dbraw/zinc/37/90/99/335379099.db2.gz FPJCKNQBYSSZMU-UHFFFAOYSA-N 2 2 313.426 3.574 20 0 DHADLP COc1ccc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000346129060 335379101 /nfs/dbraw/zinc/37/91/01/335379101.db2.gz FPJCKNQBYSSZMU-UHFFFAOYSA-N 2 2 313.426 3.574 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000346131497 335379261 /nfs/dbraw/zinc/37/92/61/335379261.db2.gz KDEAKNVVNHIBGX-HNNXBMFYSA-N 2 2 322.412 3.894 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000346131497 335379263 /nfs/dbraw/zinc/37/92/63/335379263.db2.gz KDEAKNVVNHIBGX-HNNXBMFYSA-N 2 2 322.412 3.894 20 0 DHADLP CC(C)[C@H](C)[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CC1 ZINC000346134751 335379831 /nfs/dbraw/zinc/37/98/31/335379831.db2.gz OCWFIXYZKKPDPK-AWEZNQCLSA-N 2 2 321.534 3.919 20 0 DHADLP CC(C)[C@H](C)[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CC1 ZINC000346134751 335379833 /nfs/dbraw/zinc/37/98/33/335379833.db2.gz OCWFIXYZKKPDPK-AWEZNQCLSA-N 2 2 321.534 3.919 20 0 DHADLP CC(C)[C@H](C)[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C1CC1 ZINC000346134751 335379835 /nfs/dbraw/zinc/37/98/35/335379835.db2.gz OCWFIXYZKKPDPK-AWEZNQCLSA-N 2 2 321.534 3.919 20 0 DHADLP Cc1ccc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000346141084 335380477 /nfs/dbraw/zinc/38/04/77/335380477.db2.gz NWTFLRLXHDSRMF-UHFFFAOYSA-N 2 2 303.456 3.936 20 0 DHADLP Cc1ccc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000346141084 335380478 /nfs/dbraw/zinc/38/04/78/335380478.db2.gz NWTFLRLXHDSRMF-UHFFFAOYSA-N 2 2 303.456 3.936 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc2cccnc12 ZINC000346162725 335384020 /nfs/dbraw/zinc/38/40/20/335384020.db2.gz FBDMYYABLYAQMR-BEFAXECRSA-N 2 2 320.440 3.823 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc2cccnc12 ZINC000346162725 335384022 /nfs/dbraw/zinc/38/40/22/335384022.db2.gz FBDMYYABLYAQMR-BEFAXECRSA-N 2 2 320.440 3.823 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H](C)CC[C@H]3C)sc2C1 ZINC000346233040 335386884 /nfs/dbraw/zinc/38/68/84/335386884.db2.gz ZCOPGGCDMSQAKX-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@H](C)CC[C@H]3C)sc2C1 ZINC000346233040 335386886 /nfs/dbraw/zinc/38/68/86/335386886.db2.gz ZCOPGGCDMSQAKX-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@H](C)CC[C@H]3C)sc2C1 ZINC000346233040 335386887 /nfs/dbraw/zinc/38/68/87/335386887.db2.gz ZCOPGGCDMSQAKX-ZIAGYGMSSA-N 2 2 307.507 3.530 20 0 DHADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1F ZINC000366943406 335406892 /nfs/dbraw/zinc/40/68/92/335406892.db2.gz LDAWYORHFOFTAA-MRXNPFEDSA-N 2 2 305.372 3.739 20 0 DHADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1F ZINC000366943405 335406929 /nfs/dbraw/zinc/40/69/29/335406929.db2.gz LDAWYORHFOFTAA-INIZCTEOSA-N 2 2 305.372 3.739 20 0 DHADLP CSC1(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000347867964 335535728 /nfs/dbraw/zinc/53/57/28/335535728.db2.gz CVXIIGHUCFJACU-GOSISDBHSA-N 2 2 318.530 3.945 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](C)Oc1ccc(F)cc1 ZINC000348048651 335548219 /nfs/dbraw/zinc/54/82/19/335548219.db2.gz VWQJJTSBTVXCEG-HNNXBMFYSA-N 2 2 302.393 3.519 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367120613 336031594 /nfs/dbraw/zinc/03/15/94/336031594.db2.gz GNIHFIQBOQGKJZ-VDGAXYAQSA-N 2 2 321.468 3.832 20 0 DHADLP Clc1ccsc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351562864 336044034 /nfs/dbraw/zinc/04/40/34/336044034.db2.gz CJJVTBJHRCACQX-UHFFFAOYSA-N 2 2 304.806 3.653 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)[nH]1 ZINC000352338568 336213182 /nfs/dbraw/zinc/21/31/82/336213182.db2.gz SZKAXFLEFCRHSX-OAHLLOKOSA-N 2 2 324.453 3.913 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3csc(-c4ccccc4)n3)C2)[nH]1 ZINC000352338568 336213183 /nfs/dbraw/zinc/21/31/83/336213183.db2.gz SZKAXFLEFCRHSX-OAHLLOKOSA-N 2 2 324.453 3.913 20 0 DHADLP Clc1cc2c(s1)CC[C@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000352473909 336220992 /nfs/dbraw/zinc/22/09/92/336220992.db2.gz ZKMPUFWKEZNICW-GFCCVEGCSA-N 2 2 303.818 3.826 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000324572934 336229111 /nfs/dbraw/zinc/22/91/11/336229111.db2.gz VNUFBVVZLLZKHX-HNAYVOBHSA-N 2 2 307.441 3.889 20 0 DHADLP CC[C@@H]([NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCOCC1 ZINC000532452086 336250043 /nfs/dbraw/zinc/25/00/43/336250043.db2.gz OYQZYYWSPKZUIN-UXHICEINSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3SCCc4ccccc43)n2c1 ZINC000532496146 336250783 /nfs/dbraw/zinc/25/07/83/336250783.db2.gz BNJXZCDSQZTHLT-SFHVURJKSA-N 2 2 323.465 3.763 20 0 DHADLP CC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000532475889 336251226 /nfs/dbraw/zinc/25/12/26/336251226.db2.gz NFNYBXGNTUJLKO-VQIMIIECSA-N 2 2 304.453 3.958 20 0 DHADLP CC[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CCOCC1 ZINC000532511401 336253020 /nfs/dbraw/zinc/25/30/20/336253020.db2.gz AADWVKNFQCHOSO-QFBILLFUSA-N 2 2 318.505 3.911 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@]1(C)CCCO1 ZINC000580352336 336258869 /nfs/dbraw/zinc/25/88/69/336258869.db2.gz PUKWPZHBROVFNW-FCEWJHQRSA-N 2 2 304.478 3.663 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000352829120 336267161 /nfs/dbraw/zinc/26/71/61/336267161.db2.gz PTPOHVJOYSOJKO-FHLIZLRMSA-N 2 2 312.457 3.505 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000352829120 336267162 /nfs/dbraw/zinc/26/71/62/336267162.db2.gz PTPOHVJOYSOJKO-FHLIZLRMSA-N 2 2 312.457 3.505 20 0 DHADLP COc1ccc2c(c1)CCC[N@@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000526970612 336277392 /nfs/dbraw/zinc/27/73/92/336277392.db2.gz RGNKGKMXWXESHG-UHFFFAOYSA-N 2 2 310.441 3.780 20 0 DHADLP COc1ccc2c(c1)CCC[N@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000526970612 336277393 /nfs/dbraw/zinc/27/73/93/336277393.db2.gz RGNKGKMXWXESHG-UHFFFAOYSA-N 2 2 310.441 3.780 20 0 DHADLP Clc1ccc(/C=C\C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000352852081 336280218 /nfs/dbraw/zinc/28/02/18/336280218.db2.gz DNTQOWXYNMBUCT-UPHRSURJSA-N 2 2 301.821 3.956 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(O)c1 ZINC000192909489 336284162 /nfs/dbraw/zinc/28/41/62/336284162.db2.gz KZGMLGRAJNETQM-UZLBHIALSA-N 2 2 310.441 3.880 20 0 DHADLP Cc1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc(C(C)C)[nH+]1 ZINC000301087557 336289245 /nfs/dbraw/zinc/28/92/45/336289245.db2.gz JVACWOUAIFIOPJ-UHFFFAOYSA-N 2 2 321.428 3.765 20 0 DHADLP CCc1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000301349124 336301866 /nfs/dbraw/zinc/30/18/66/336301866.db2.gz LWANFBHURQTPCG-MRXNPFEDSA-N 2 2 314.433 3.580 20 0 DHADLP Fc1cc(CNc2cc[nH+]cc2Cl)ccc1-n1cc[nH+]c1 ZINC000301495078 336310257 /nfs/dbraw/zinc/31/02/57/336310257.db2.gz BDOCSBORJGHZBR-UHFFFAOYSA-N 2 2 302.740 3.672 20 0 DHADLP CC1CCN(c2ccc(CNc3cc[nH+]cc3Cl)c[nH+]2)CC1 ZINC000301524328 336312314 /nfs/dbraw/zinc/31/23/14/336312314.db2.gz PAQCPSYERRWNKL-UHFFFAOYSA-N 2 2 316.836 3.978 20 0 DHADLP Cc1nc(NC2CC[NH+](CC3CCCCC3)CC2)c(C)c(C)[nH+]1 ZINC000301696634 336324072 /nfs/dbraw/zinc/32/40/72/336324072.db2.gz PXTNAHYEXDKXKZ-UHFFFAOYSA-N 2 2 316.493 3.858 20 0 DHADLP Cc1nc(NC2CC[NH+](C3CCCCC3)CC2)c(C)c(C)[nH+]1 ZINC000301713796 336325142 /nfs/dbraw/zinc/32/51/42/336325142.db2.gz ZEAZDDXDAQCOQV-UHFFFAOYSA-N 2 2 302.466 3.611 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cccc[nH+]4)CC[C@H]32)cc1 ZINC000301729759 336326087 /nfs/dbraw/zinc/32/60/87/336326087.db2.gz WVQACISHRDCWHY-RTBURBONSA-N 2 2 307.441 3.573 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cccc[nH+]4)CC[C@H]32)cc1 ZINC000301729759 336326088 /nfs/dbraw/zinc/32/60/88/336326088.db2.gz WVQACISHRDCWHY-RTBURBONSA-N 2 2 307.441 3.573 20 0 DHADLP C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301882024 336336020 /nfs/dbraw/zinc/33/60/20/336336020.db2.gz MLIDQRRIVUKKIK-GUYCJALGSA-N 2 2 319.811 3.979 20 0 DHADLP C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301882024 336336021 /nfs/dbraw/zinc/33/60/21/336336021.db2.gz MLIDQRRIVUKKIK-GUYCJALGSA-N 2 2 319.811 3.979 20 0 DHADLP CCCC[N@H+](C)CC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301900375 336337112 /nfs/dbraw/zinc/33/71/12/336337112.db2.gz YZUQKGQHOHZENR-UHFFFAOYSA-N 2 2 300.450 3.511 20 0 DHADLP CCCC[N@@H+](C)CC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301900375 336337113 /nfs/dbraw/zinc/33/71/13/336337113.db2.gz YZUQKGQHOHZENR-UHFFFAOYSA-N 2 2 300.450 3.511 20 0 DHADLP Cc1cc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C(C)C)[nH+]1 ZINC000302048867 336345329 /nfs/dbraw/zinc/34/53/29/336345329.db2.gz MLLIXMUBBQNCDP-CVEARBPZSA-N 2 2 316.493 3.973 20 0 DHADLP Cc1cc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C(C)C)[nH+]1 ZINC000302048867 336345330 /nfs/dbraw/zinc/34/53/30/336345330.db2.gz MLLIXMUBBQNCDP-CVEARBPZSA-N 2 2 316.493 3.973 20 0 DHADLP C[C@H](CCNc1cc(C(F)(F)F)cc[nH+]1)[NH+]1CCCCC1 ZINC000302156782 336351352 /nfs/dbraw/zinc/35/13/52/336351352.db2.gz MZROLKLVICZMGT-GFCCVEGCSA-N 2 2 301.356 3.777 20 0 DHADLP Cc1ccc2[nH+]ccc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000302219682 336354654 /nfs/dbraw/zinc/35/46/54/336354654.db2.gz LRYPIKVOAATOCS-MRXNPFEDSA-N 2 2 305.381 3.596 20 0 DHADLP CCC[N@@H+]1CC[C@H](CNc2c(C)c[nH+]c3c(OC)cccc23)C1 ZINC000302592571 336362226 /nfs/dbraw/zinc/36/22/26/336362226.db2.gz AOEARCDXSMGHTP-OAHLLOKOSA-N 2 2 313.445 3.696 20 0 DHADLP CCC[N@H+]1CC[C@H](CNc2c(C)c[nH+]c3c(OC)cccc23)C1 ZINC000302592571 336362227 /nfs/dbraw/zinc/36/22/27/336362227.db2.gz AOEARCDXSMGHTP-OAHLLOKOSA-N 2 2 313.445 3.696 20 0 DHADLP COc1cccc2c1[nH+]cc(C)c2N(C)CCCn1cc[nH+]c1C ZINC000302672887 336364316 /nfs/dbraw/zinc/36/43/16/336364316.db2.gz SHWWOYAQULEJAK-UHFFFAOYSA-N 2 2 324.428 3.583 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c[nH+]1 ZINC000354007445 336453742 /nfs/dbraw/zinc/45/37/42/336453742.db2.gz FARFLRNHTAVAEJ-HXUWFJFHSA-N 2 2 324.468 3.816 20 0 DHADLP Cc1ccc(CCC[NH2+]Cc2cn(C)nc2-c2ccccc2)c[nH+]1 ZINC000354659611 336477911 /nfs/dbraw/zinc/47/79/11/336477911.db2.gz KNLYNVKCQXZPLT-UHFFFAOYSA-N 2 2 320.440 3.513 20 0 DHADLP Fc1ccc(CC2(C[NH2+]Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000356266979 336543320 /nfs/dbraw/zinc/54/33/20/336543320.db2.gz LLRBLDGBKBCAFD-UHFFFAOYSA-N 2 2 309.388 3.586 20 0 DHADLP Fc1ccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000356866005 336563933 /nfs/dbraw/zinc/56/39/33/336563933.db2.gz NSMMDZGYYUXORW-UHFFFAOYSA-N 2 2 307.372 3.790 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccncc2)c(C)c1 ZINC000358341266 336624860 /nfs/dbraw/zinc/62/48/60/336624860.db2.gz AIYCMZXXMYLSSB-XLIONFOSSA-N 2 2 320.440 3.987 20 0 DHADLP Cc1nc2c(s1)[C@@H]([NH2+]CCCc1c[nH+]ccc1C)CCC2 ZINC000367362636 336693076 /nfs/dbraw/zinc/69/30/76/336693076.db2.gz YJCJEYSNQNKGOF-HNNXBMFYSA-N 2 2 301.459 3.755 20 0 DHADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000361099059 336738436 /nfs/dbraw/zinc/73/84/36/336738436.db2.gz VMCUNINMPBHOJJ-YLJYHZDGSA-N 2 2 324.468 3.532 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCOc2c(F)ccc(F)c21 ZINC000361253401 336747114 /nfs/dbraw/zinc/74/71/14/336747114.db2.gz VHPIIZUDFMEQGI-INIZCTEOSA-N 2 2 318.367 3.714 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000361392928 336755001 /nfs/dbraw/zinc/75/50/01/336755001.db2.gz VEBACVIZKVEAKP-BEFAXECRSA-N 2 2 315.461 3.672 20 0 DHADLP CCC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(OC)cc1 ZINC000361967384 336780356 /nfs/dbraw/zinc/78/03/56/336780356.db2.gz SSYBDTFHLQTEAS-ROUUACIJSA-N 2 2 322.518 3.563 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000367843263 336830850 /nfs/dbraw/zinc/83/08/50/336830850.db2.gz QDFVUMNAYYYOHB-LBPRGKRZSA-N 2 2 312.804 3.616 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C2 ZINC000368033908 336836229 /nfs/dbraw/zinc/83/62/29/336836229.db2.gz CHIPLBBSADETMK-LJQANCHMSA-N 2 2 317.436 3.886 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000368570194 336848036 /nfs/dbraw/zinc/84/80/36/336848036.db2.gz ZJFGHHVWJZYAOU-UHFFFAOYSA-N 2 2 320.440 3.513 20 0 DHADLP CO[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000370294543 336881933 /nfs/dbraw/zinc/88/19/33/336881933.db2.gz QEJSAUWZSSVURK-QGZVFWFLSA-N 2 2 319.836 3.561 20 0 DHADLP CO[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000370294542 336881943 /nfs/dbraw/zinc/88/19/43/336881943.db2.gz QEJSAUWZSSVURK-KRWDZBQOSA-N 2 2 319.836 3.561 20 0 DHADLP c1coc([C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)c2ccccc2)c1 ZINC000373261440 336954722 /nfs/dbraw/zinc/95/47/22/336954722.db2.gz VKEIFADHGQUKQB-SJLPKXTDSA-N 2 2 307.397 3.733 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCc1ccc(C)cc1)CCC2 ZINC000374578213 336992858 /nfs/dbraw/zinc/99/28/58/336992858.db2.gz URRUURLPPIHHKR-VQIMIIECSA-N 2 2 311.473 3.988 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCc1ccc(C)cc1)CCC2 ZINC000374578210 336992875 /nfs/dbraw/zinc/99/28/75/336992875.db2.gz URRUURLPPIHHKR-APWZRJJASA-N 2 2 311.473 3.988 20 0 DHADLP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000375063236 337002380 /nfs/dbraw/zinc/00/23/80/337002380.db2.gz VYUMDQHSPBULAY-SCTDSRPQSA-N 2 2 320.525 3.607 20 0 DHADLP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000375063236 337002381 /nfs/dbraw/zinc/00/23/81/337002381.db2.gz VYUMDQHSPBULAY-SCTDSRPQSA-N 2 2 320.525 3.607 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)no1 ZINC000375071547 337002564 /nfs/dbraw/zinc/00/25/64/337002564.db2.gz PEVSZRKIOKQMJA-LPHOPBHVSA-N 2 2 313.445 3.546 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000375071547 337002565 /nfs/dbraw/zinc/00/25/65/337002565.db2.gz PEVSZRKIOKQMJA-LPHOPBHVSA-N 2 2 313.445 3.546 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)no1 ZINC000375071548 337002623 /nfs/dbraw/zinc/00/26/23/337002623.db2.gz PEVSZRKIOKQMJA-QFBILLFUSA-N 2 2 313.445 3.546 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000375071548 337002624 /nfs/dbraw/zinc/00/26/24/337002624.db2.gz PEVSZRKIOKQMJA-QFBILLFUSA-N 2 2 313.445 3.546 20 0 DHADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375095039 337003220 /nfs/dbraw/zinc/00/32/20/337003220.db2.gz UMLAROFAEUKQAT-PKOBYXMFSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375095039 337003221 /nfs/dbraw/zinc/00/32/21/337003221.db2.gz UMLAROFAEUKQAT-PKOBYXMFSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@@H](c1cnccn1)[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000375095039 337003222 /nfs/dbraw/zinc/00/32/22/337003222.db2.gz UMLAROFAEUKQAT-PKOBYXMFSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@@H](c1cnccn1)[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000375095039 337003223 /nfs/dbraw/zinc/00/32/23/337003223.db2.gz UMLAROFAEUKQAT-PKOBYXMFSA-N 2 2 324.472 3.524 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1F ZINC000375270847 337007091 /nfs/dbraw/zinc/00/70/91/337007091.db2.gz XJYYWXHCVZSCQX-LBPRGKRZSA-N 2 2 319.449 3.931 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](Cc1ccccc1)C(C)C)CCC2 ZINC000375278729 337007146 /nfs/dbraw/zinc/00/71/46/337007146.db2.gz IARCITUPWKROQJ-RTBURBONSA-N 2 2 311.473 3.926 20 0 DHADLP CC(C)C[C@@H](C)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375625454 337014994 /nfs/dbraw/zinc/01/49/94/337014994.db2.gz ODMAWTWJZGGRSN-GOSISDBHSA-N 2 2 317.521 3.703 20 0 DHADLP CC(C)C[C@@H](C)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375625454 337014995 /nfs/dbraw/zinc/01/49/95/337014995.db2.gz ODMAWTWJZGGRSN-GOSISDBHSA-N 2 2 317.521 3.703 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000375815717 337020365 /nfs/dbraw/zinc/02/03/65/337020365.db2.gz QHNNVYQQTAPGMN-HNNXBMFYSA-N 2 2 318.852 3.892 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000375815717 337020366 /nfs/dbraw/zinc/02/03/66/337020366.db2.gz QHNNVYQQTAPGMN-HNNXBMFYSA-N 2 2 318.852 3.892 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000376648115 337038996 /nfs/dbraw/zinc/03/89/96/337038996.db2.gz DRCIKUYNIXFFPT-SNRMKQJTSA-N 2 2 309.457 3.544 20 0 DHADLP Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000376679332 337039469 /nfs/dbraw/zinc/03/94/69/337039469.db2.gz KOBLASKQVQAROP-FPOVZHCZSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000376679332 337039470 /nfs/dbraw/zinc/03/94/70/337039470.db2.gz KOBLASKQVQAROP-FPOVZHCZSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1ccc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000376679332 337039471 /nfs/dbraw/zinc/03/94/71/337039471.db2.gz KOBLASKQVQAROP-FPOVZHCZSA-N 2 2 323.484 3.823 20 0 DHADLP Cc1ccc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000376679332 337039472 /nfs/dbraw/zinc/03/94/72/337039472.db2.gz KOBLASKQVQAROP-FPOVZHCZSA-N 2 2 323.484 3.823 20 0 DHADLP Fc1cccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCSC3)CC2)c1 ZINC000376831193 337042348 /nfs/dbraw/zinc/04/23/48/337042348.db2.gz QJUXZKXDCWXDJN-INIZCTEOSA-N 2 2 322.493 3.523 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000376840530 337042499 /nfs/dbraw/zinc/04/24/99/337042499.db2.gz DCBPWAJERDKWAH-HZPDHXFCSA-N 2 2 318.427 3.962 20 0 DHADLP CCSc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000376881284 337043099 /nfs/dbraw/zinc/04/30/99/337043099.db2.gz ADLSNJQEKFJFEV-UHFFFAOYSA-N 2 2 301.459 3.901 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000377173108 337048103 /nfs/dbraw/zinc/04/81/03/337048103.db2.gz BKBHIACIVCCZEA-PKOBYXMFSA-N 2 2 309.457 3.644 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000377173108 337048104 /nfs/dbraw/zinc/04/81/04/337048104.db2.gz BKBHIACIVCCZEA-PKOBYXMFSA-N 2 2 309.457 3.644 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377408076 337052208 /nfs/dbraw/zinc/05/22/08/337052208.db2.gz DEXQQRYBZHAKGA-AAEUAGOBSA-N 2 2 319.836 3.670 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377408076 337052209 /nfs/dbraw/zinc/05/22/09/337052209.db2.gz DEXQQRYBZHAKGA-AAEUAGOBSA-N 2 2 319.836 3.670 20 0 DHADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377411408 337052310 /nfs/dbraw/zinc/05/23/10/337052310.db2.gz LDZXCTHCLRUGGS-GHMZBOCLSA-N 2 2 324.255 3.795 20 0 DHADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377411408 337052311 /nfs/dbraw/zinc/05/23/11/337052311.db2.gz LDZXCTHCLRUGGS-GHMZBOCLSA-N 2 2 324.255 3.795 20 0 DHADLP C[C@@H]([NH2+]C1CC(c2ccccn2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000377646653 337057413 /nfs/dbraw/zinc/05/74/13/337057413.db2.gz JCRGKNQYFVSKOG-FAEJEUNOSA-N 2 2 318.424 3.864 20 0 DHADLP CCSc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377735696 337059809 /nfs/dbraw/zinc/05/98/09/337059809.db2.gz CIOSLIHDDUVQGF-OLZOCXBDSA-N 2 2 301.459 3.730 20 0 DHADLP CCSc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377735696 337059810 /nfs/dbraw/zinc/05/98/10/337059810.db2.gz CIOSLIHDDUVQGF-OLZOCXBDSA-N 2 2 301.459 3.730 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1F ZINC000377756232 337060275 /nfs/dbraw/zinc/06/02/75/337060275.db2.gz PURGHICXNYEUCJ-GXFFZTMASA-N 2 2 307.800 3.800 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(Cl)c1F ZINC000377756232 337060276 /nfs/dbraw/zinc/06/02/76/337060276.db2.gz PURGHICXNYEUCJ-GXFFZTMASA-N 2 2 307.800 3.800 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)ccc1Cl ZINC000377799221 337061413 /nfs/dbraw/zinc/06/14/13/337061413.db2.gz RZKCKUYTQZSPSA-KOLCDFICSA-N 2 2 310.228 3.925 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2COc3cccc(Cl)c32)CC1 ZINC000377883366 337063220 /nfs/dbraw/zinc/06/32/20/337063220.db2.gz JIHALRVWJVGPHJ-AWEZNQCLSA-N 2 2 308.853 3.626 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000377890137 337063577 /nfs/dbraw/zinc/06/35/77/337063577.db2.gz SCDKDLLIAAQCGO-INIZCTEOSA-N 2 2 307.397 3.670 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000377890137 337063578 /nfs/dbraw/zinc/06/35/78/337063578.db2.gz SCDKDLLIAAQCGO-INIZCTEOSA-N 2 2 307.397 3.670 20 0 DHADLP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000378089498 337066320 /nfs/dbraw/zinc/06/63/20/337066320.db2.gz OBNJNJWXXBFJPJ-OAHLLOKOSA-N 2 2 316.449 3.702 20 0 DHADLP CCc1noc(C)c1C[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000378089498 337066321 /nfs/dbraw/zinc/06/63/21/337066321.db2.gz OBNJNJWXXBFJPJ-OAHLLOKOSA-N 2 2 316.449 3.702 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1cccc(O)c1 ZINC000378165864 337067537 /nfs/dbraw/zinc/06/75/37/337067537.db2.gz KWLNTNNGRBYBSQ-AWEZNQCLSA-N 2 2 316.470 3.769 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)CC(C)C)[C@@H](C)C2)s1 ZINC000378184284 337067910 /nfs/dbraw/zinc/06/79/10/337067910.db2.gz SRUYTZPXRKFOJK-ZQIUZPCESA-N 2 2 309.523 3.686 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)CC(C)C)[C@@H](C)C2)s1 ZINC000378184284 337067911 /nfs/dbraw/zinc/06/79/11/337067911.db2.gz SRUYTZPXRKFOJK-ZQIUZPCESA-N 2 2 309.523 3.686 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC(C)CC2)CC1)c1ccccn1 ZINC000378333812 337070064 /nfs/dbraw/zinc/07/00/64/337070064.db2.gz ONSVUBBLTHTNEW-UPTPFMHGSA-N 2 2 301.478 3.775 20 0 DHADLP CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)cn1 ZINC000378389398 337071417 /nfs/dbraw/zinc/07/14/17/337071417.db2.gz MXYGBSKSOOHMOQ-OAHLLOKOSA-N 2 2 323.444 3.715 20 0 DHADLP CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)cn1 ZINC000378389396 337071473 /nfs/dbraw/zinc/07/14/73/337071473.db2.gz MXYGBSKSOOHMOQ-HNNXBMFYSA-N 2 2 323.444 3.715 20 0 DHADLP FC(F)(F)c1ccc([C@H]2CCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000378478308 337073893 /nfs/dbraw/zinc/07/38/93/337073893.db2.gz VTMQMFLNFQFJNZ-CVEARBPZSA-N 2 2 323.362 3.828 20 0 DHADLP Cn1c[nH+]cc1CCC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000582674560 337119601 /nfs/dbraw/zinc/11/96/01/337119601.db2.gz SSHYCWQDKNXWRQ-UHFFFAOYSA-N 2 2 313.420 3.671 20 0 DHADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000582772814 337145135 /nfs/dbraw/zinc/14/51/35/337145135.db2.gz FMGLNHWOJNKBEE-AWEZNQCLSA-N 2 2 323.893 3.927 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000176993180 337154032 /nfs/dbraw/zinc/15/40/32/337154032.db2.gz KTQCRJZLUQEXSG-KBXCAEBGSA-N 2 2 302.462 3.900 20 0 DHADLP COc1cccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000177207954 337154741 /nfs/dbraw/zinc/15/47/41/337154741.db2.gz JWOJRICPGBDFRL-INIZCTEOSA-N 2 2 321.424 3.791 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000178756272 337164923 /nfs/dbraw/zinc/16/49/23/337164923.db2.gz XCNKTDNZYCKOAN-GJYPPUQNSA-N 2 2 310.441 3.706 20 0 DHADLP CC(C)n1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000179656288 337170854 /nfs/dbraw/zinc/17/08/54/337170854.db2.gz SVACYMDPLBXRHF-QZTJIDSGSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000179656288 337170855 /nfs/dbraw/zinc/17/08/55/337170855.db2.gz SVACYMDPLBXRHF-QZTJIDSGSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000179656288 337170856 /nfs/dbraw/zinc/17/08/56/337170856.db2.gz SVACYMDPLBXRHF-QZTJIDSGSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000179656288 337170857 /nfs/dbraw/zinc/17/08/57/337170857.db2.gz SVACYMDPLBXRHF-QZTJIDSGSA-N 2 2 318.509 3.550 20 0 DHADLP Fc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(F)c1F ZINC000180784315 337177913 /nfs/dbraw/zinc/17/79/13/337177913.db2.gz BZPBCQMKOXGDLV-DYVFJYSZSA-N 2 2 324.390 3.553 20 0 DHADLP Fc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(F)c1F ZINC000180784315 337177914 /nfs/dbraw/zinc/17/79/14/337177914.db2.gz BZPBCQMKOXGDLV-DYVFJYSZSA-N 2 2 324.390 3.553 20 0 DHADLP Fc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(F)c1F ZINC000180784315 337177916 /nfs/dbraw/zinc/17/79/16/337177916.db2.gz BZPBCQMKOXGDLV-DYVFJYSZSA-N 2 2 324.390 3.553 20 0 DHADLP CC[NH+](CC)CCCC1CC[NH+](Cc2noc(C(C)C)n2)CC1 ZINC000182776337 337189758 /nfs/dbraw/zinc/18/97/58/337189758.db2.gz ULEQZTIEMVJFKN-UHFFFAOYSA-N 2 2 322.497 3.527 20 0 DHADLP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000185504992 337248671 /nfs/dbraw/zinc/24/86/71/337248671.db2.gz SXIPKPZZUJCJBM-UYSNPLJNSA-N 2 2 318.427 3.915 20 0 DHADLP FC(F)(F)C1CCC(C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000185504992 337248672 /nfs/dbraw/zinc/24/86/72/337248672.db2.gz SXIPKPZZUJCJBM-UYSNPLJNSA-N 2 2 318.427 3.915 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(O)cc(F)c2)C1 ZINC000186198987 337254283 /nfs/dbraw/zinc/25/42/83/337254283.db2.gz JKWRYTWHGZHMAW-HZPDHXFCSA-N 2 2 320.452 3.618 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(O)cc(F)c2)C1 ZINC000186198987 337254284 /nfs/dbraw/zinc/25/42/84/337254284.db2.gz JKWRYTWHGZHMAW-HZPDHXFCSA-N 2 2 320.452 3.618 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186198987 337254285 /nfs/dbraw/zinc/25/42/85/337254285.db2.gz JKWRYTWHGZHMAW-HZPDHXFCSA-N 2 2 320.452 3.618 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000186198987 337254286 /nfs/dbraw/zinc/25/42/86/337254286.db2.gz JKWRYTWHGZHMAW-HZPDHXFCSA-N 2 2 320.452 3.618 20 0 DHADLP CSCCCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000186780142 337259422 /nfs/dbraw/zinc/25/94/22/337259422.db2.gz FJPVKPIYZXNSLE-UHFFFAOYSA-N 2 2 312.445 3.526 20 0 DHADLP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C[C@@H]1n1cc[nH+]c1 ZINC000190998339 337292226 /nfs/dbraw/zinc/29/22/26/337292226.db2.gz RUGZQJFGKUMZAU-SQNIBIBYSA-N 2 2 317.477 3.648 20 0 DHADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C[C@@H]1n1cc[nH+]c1 ZINC000190998339 337292227 /nfs/dbraw/zinc/29/22/27/337292227.db2.gz RUGZQJFGKUMZAU-SQNIBIBYSA-N 2 2 317.477 3.648 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000583901404 337384889 /nfs/dbraw/zinc/38/48/89/337384889.db2.gz BRVFBYPVAWCGHZ-OWCLPIDISA-N 2 2 315.848 3.846 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000583901404 337384890 /nfs/dbraw/zinc/38/48/90/337384890.db2.gz BRVFBYPVAWCGHZ-OWCLPIDISA-N 2 2 315.848 3.846 20 0 DHADLP CC1CCC([NH+]2CCC([N@H+](C)Cc3ccccn3)CC2)CC1 ZINC000104950991 337386689 /nfs/dbraw/zinc/38/66/89/337386689.db2.gz ZJMDYQXNWOHCPF-UHFFFAOYSA-N 2 2 301.478 3.557 20 0 DHADLP CC1CCC([NH+]2CCC([N@@H+](C)Cc3ccccn3)CC2)CC1 ZINC000104950991 337386690 /nfs/dbraw/zinc/38/66/90/337386690.db2.gz ZJMDYQXNWOHCPF-UHFFFAOYSA-N 2 2 301.478 3.557 20 0 DHADLP COCc1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000309914094 337388321 /nfs/dbraw/zinc/38/83/21/337388321.db2.gz NNAKHSBTNSWELK-NRFANRHFSA-N 2 2 324.468 3.587 20 0 DHADLP COCc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000309914094 337388322 /nfs/dbraw/zinc/38/83/22/337388322.db2.gz NNAKHSBTNSWELK-NRFANRHFSA-N 2 2 324.468 3.587 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123538378 337399811 /nfs/dbraw/zinc/39/98/11/337399811.db2.gz LBOBCXMXVIQXDV-IUODEOHRSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123538378 337399812 /nfs/dbraw/zinc/39/98/12/337399812.db2.gz LBOBCXMXVIQXDV-IUODEOHRSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123538378 337399813 /nfs/dbraw/zinc/39/98/13/337399813.db2.gz LBOBCXMXVIQXDV-IUODEOHRSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123538378 337399814 /nfs/dbraw/zinc/39/98/14/337399814.db2.gz LBOBCXMXVIQXDV-IUODEOHRSA-N 2 2 319.474 3.626 20 0 DHADLP COC1([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000421840328 337653248 /nfs/dbraw/zinc/65/32/48/337653248.db2.gz YSBUXQWNGXLFQP-MRXNPFEDSA-N 2 2 313.445 3.700 20 0 DHADLP C[C@@H]([NH2+][C@H](COCc1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422788634 337685590 /nfs/dbraw/zinc/68/55/90/337685590.db2.gz SNINUBIDHCKKOB-JRGCBEDISA-N 2 2 324.468 3.675 20 0 DHADLP COc1ccc2oc([C@@H](C)[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)c(C)c2c1 ZINC000422857584 337689148 /nfs/dbraw/zinc/68/91/48/337689148.db2.gz HALAHCGWFUAZEN-ZENOOKHLSA-N 2 2 302.418 3.541 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCC2)c2ccccc21 ZINC000422910765 337690922 /nfs/dbraw/zinc/69/09/22/337690922.db2.gz JCVFVKMMCLFIQJ-MOPGFXCFSA-N 2 2 308.425 3.852 20 0 DHADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422909409 337690959 /nfs/dbraw/zinc/69/09/59/337690959.db2.gz FVDFVWRHPOVYSL-OWQGQXMQSA-N 2 2 320.440 3.852 20 0 DHADLP COc1c2ccccc2oc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423071810 337698304 /nfs/dbraw/zinc/69/83/04/337698304.db2.gz OWYOFKNXCUGDFJ-JKSUJKDBSA-N 2 2 308.381 3.676 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423212807 337704540 /nfs/dbraw/zinc/70/45/40/337704540.db2.gz KAYLEJIAYKZMCW-DOMZBBRYSA-N 2 2 302.368 3.644 20 0 DHADLP Clc1ccccc1C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccs1 ZINC000423218567 337705163 /nfs/dbraw/zinc/70/51/63/337705163.db2.gz UWPFJCNYZYTHHF-HIFRSBDPSA-N 2 2 306.862 3.637 20 0 DHADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1nc2c(s1)CCCC2 ZINC000423264026 337708257 /nfs/dbraw/zinc/70/82/57/337708257.db2.gz PNFAFVZRZSPPCK-WFASDCNBSA-N 2 2 307.507 3.580 20 0 DHADLP CCC[NH2+]CC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000423318864 337711780 /nfs/dbraw/zinc/71/17/80/337711780.db2.gz ZNFJKXIBJYZYMT-ZDUSSCGKSA-N 2 2 317.296 3.551 20 0 DHADLP COc1cc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)ccc1SC ZINC000423377293 337717344 /nfs/dbraw/zinc/71/73/44/337717344.db2.gz FFEIPNVBKBMZRW-SUMWQHHRSA-N 2 2 322.518 3.846 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423432946 337718936 /nfs/dbraw/zinc/71/89/36/337718936.db2.gz RFUQWXIUANVWIU-VWKPWSFCSA-N 2 2 324.468 3.664 20 0 DHADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423443445 337719541 /nfs/dbraw/zinc/71/95/41/337719541.db2.gz KMKTUVXMQNXOAA-PRXAMGSTSA-N 2 2 306.812 3.894 20 0 DHADLP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000423908735 337729523 /nfs/dbraw/zinc/72/95/23/337729523.db2.gz POFNVVHVDHSXEY-MRXNPFEDSA-N 2 2 313.401 3.638 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000527632295 337753076 /nfs/dbraw/zinc/75/30/76/337753076.db2.gz MCEGXBJKSVHYCX-UHFFFAOYSA-N 2 2 306.397 3.731 20 0 DHADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CC12CC2 ZINC000527899483 337772556 /nfs/dbraw/zinc/77/25/56/337772556.db2.gz DIBNYBRJKKVDRE-GXTWGEPZSA-N 2 2 301.821 3.804 20 0 DHADLP c1ccc2c(c1)cc[nH+]c2NCc1ccc[nH+]c1N1CCCC1 ZINC000528051021 337785996 /nfs/dbraw/zinc/78/59/96/337785996.db2.gz ITTHSNOPFAFGND-UHFFFAOYSA-N 2 2 304.397 3.842 20 0 DHADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000424368881 337827422 /nfs/dbraw/zinc/82/74/22/337827422.db2.gz ASFCIHAUIKVWGC-LFDJNIOPSA-N 2 2 302.437 3.524 20 0 DHADLP CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090810330 337886061 /nfs/dbraw/zinc/88/60/61/337886061.db2.gz FVPJJTHEPGKZSI-CRAIPNDOSA-N 2 2 315.461 3.566 20 0 DHADLP Cc1nc2ccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc2s1 ZINC000426399500 338030634 /nfs/dbraw/zinc/03/06/34/338030634.db2.gz ABOLEBHESMUTGD-UHFFFAOYSA-N 2 2 312.442 3.707 20 0 DHADLP C[N@H+](CCCOCC(F)(F)F)C(C)(C)C[NH+]1CCCCCC1 ZINC000426729748 338039623 /nfs/dbraw/zinc/03/96/23/338039623.db2.gz GOIYSTDCQVYMAJ-UHFFFAOYSA-N 2 2 324.431 3.542 20 0 DHADLP C[N@@H+](CCCOCC(F)(F)F)C(C)(C)C[NH+]1CCCCCC1 ZINC000426729748 338039624 /nfs/dbraw/zinc/03/96/24/338039624.db2.gz GOIYSTDCQVYMAJ-UHFFFAOYSA-N 2 2 324.431 3.542 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000428378910 338049671 /nfs/dbraw/zinc/04/96/71/338049671.db2.gz JHGGACXBNPQJKT-RDJZCZTQSA-N 2 2 317.477 3.555 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000428378910 338049672 /nfs/dbraw/zinc/04/96/72/338049672.db2.gz JHGGACXBNPQJKT-RDJZCZTQSA-N 2 2 317.477 3.555 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000428378910 338049673 /nfs/dbraw/zinc/04/96/73/338049673.db2.gz JHGGACXBNPQJKT-RDJZCZTQSA-N 2 2 317.477 3.555 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000428378910 338049674 /nfs/dbraw/zinc/04/96/74/338049674.db2.gz JHGGACXBNPQJKT-RDJZCZTQSA-N 2 2 317.477 3.555 20 0 DHADLP CC(C)O[C@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000428395203 338049978 /nfs/dbraw/zinc/04/99/78/338049978.db2.gz YWRXDSXJPGHBGU-LJQANCHMSA-N 2 2 313.445 3.755 20 0 DHADLP Cc1ccc(CC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1C ZINC000428745632 338060300 /nfs/dbraw/zinc/06/03/00/338060300.db2.gz FQKDKJQWWICYBK-UHFFFAOYSA-N 2 2 311.473 3.845 20 0 DHADLP CC(C)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000429040845 338069786 /nfs/dbraw/zinc/06/97/86/338069786.db2.gz NIKRLSKCVRYAHP-GOSISDBHSA-N 2 2 322.880 3.655 20 0 DHADLP CC(C)Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000429040845 338069787 /nfs/dbraw/zinc/06/97/87/338069787.db2.gz NIKRLSKCVRYAHP-GOSISDBHSA-N 2 2 322.880 3.655 20 0 DHADLP CC(C)Oc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000429040845 338069788 /nfs/dbraw/zinc/06/97/88/338069788.db2.gz NIKRLSKCVRYAHP-GOSISDBHSA-N 2 2 322.880 3.655 20 0 DHADLP CC(C)Oc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000429040845 338069789 /nfs/dbraw/zinc/06/97/89/338069789.db2.gz NIKRLSKCVRYAHP-GOSISDBHSA-N 2 2 322.880 3.655 20 0 DHADLP COC1(C[C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CCC1 ZINC000429368486 338078685 /nfs/dbraw/zinc/07/86/85/338078685.db2.gz WRSPISAPDFNYDM-PKOBYXMFSA-N 2 2 316.489 3.761 20 0 DHADLP COC1(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000429515590 338082744 /nfs/dbraw/zinc/08/27/44/338082744.db2.gz NUAYYGJJTNDINM-PKOBYXMFSA-N 2 2 316.489 3.588 20 0 DHADLP COC1(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000429515590 338082745 /nfs/dbraw/zinc/08/27/45/338082745.db2.gz NUAYYGJJTNDINM-PKOBYXMFSA-N 2 2 316.489 3.588 20 0 DHADLP Cc1ccc(Nc2nc(C[NH2+][C@](C)(C[NH3+])C(C)C)cs2)cc1 ZINC000430553707 338108453 /nfs/dbraw/zinc/10/84/53/338108453.db2.gz LNXNIFXYORMKII-QGZVFWFLSA-N 2 2 318.490 3.658 20 0 DHADLP c1cn(-c2cccc(C[NH2+]CCSCc3ccccc3)c2)c[nH+]1 ZINC000430758217 338113794 /nfs/dbraw/zinc/11/37/94/338113794.db2.gz BSOHAHMLNFLDNC-UHFFFAOYSA-N 2 2 323.465 3.895 20 0 DHADLP CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])C3)cs2)cc1 ZINC000430925967 338119005 /nfs/dbraw/zinc/11/90/05/338119005.db2.gz MPYSDJHDVXXHOF-CQSZACIVSA-N 2 2 315.486 3.714 20 0 DHADLP CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])C3)cs2)cc1 ZINC000430925967 338119006 /nfs/dbraw/zinc/11/90/06/338119006.db2.gz MPYSDJHDVXXHOF-CQSZACIVSA-N 2 2 315.486 3.714 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1Br ZINC000149761975 338120632 /nfs/dbraw/zinc/12/06/32/338120632.db2.gz UIRIXJZSEYXKQR-JTQLQIEISA-N 2 2 319.674 3.532 20 0 DHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000431403444 338129983 /nfs/dbraw/zinc/12/99/83/338129983.db2.gz MHDUJYWWOFGHMJ-WMZOPIPTSA-N 2 2 324.403 3.570 20 0 DHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000431403444 338129984 /nfs/dbraw/zinc/12/99/84/338129984.db2.gz MHDUJYWWOFGHMJ-WMZOPIPTSA-N 2 2 324.403 3.570 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[N@@H+]1C ZINC000432244249 338150329 /nfs/dbraw/zinc/15/03/29/338150329.db2.gz CHCWYQUEPNAOSN-KOLCDFICSA-N 2 2 305.224 3.705 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[N@H+]1C ZINC000432244249 338150330 /nfs/dbraw/zinc/15/03/30/338150330.db2.gz CHCWYQUEPNAOSN-KOLCDFICSA-N 2 2 305.224 3.705 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]CCC3CC(OC(C)(C)C)C3)n2c1 ZINC000432245957 338150472 /nfs/dbraw/zinc/15/04/72/338150472.db2.gz AEMHQYRUWDKBAP-UHFFFAOYSA-N 2 2 315.461 3.716 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)[C@H](C)C1 ZINC000432752478 338166392 /nfs/dbraw/zinc/16/63/92/338166392.db2.gz MBBNJTOPJBGOHC-DGCLKSJQSA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)[C@H](C)C1 ZINC000432752478 338166393 /nfs/dbraw/zinc/16/63/93/338166393.db2.gz MBBNJTOPJBGOHC-DGCLKSJQSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)[C@H](C)C1 ZINC000432752478 338166394 /nfs/dbraw/zinc/16/63/94/338166394.db2.gz MBBNJTOPJBGOHC-DGCLKSJQSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)[C@H](C)C1 ZINC000432752478 338166395 /nfs/dbraw/zinc/16/63/95/338166395.db2.gz MBBNJTOPJBGOHC-DGCLKSJQSA-N 2 2 320.424 3.929 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000432754720 338166744 /nfs/dbraw/zinc/16/67/44/338166744.db2.gz NHJGZXWKBFXKAV-QWRGUYRKSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(F)(F)F)s2)CC[N@H+]1C ZINC000432754720 338166745 /nfs/dbraw/zinc/16/67/45/338166745.db2.gz NHJGZXWKBFXKAV-QWRGUYRKSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)s2)CC[NH+]1C ZINC000432754720 338166746 /nfs/dbraw/zinc/16/67/46/338166746.db2.gz NHJGZXWKBFXKAV-QWRGUYRKSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(F)(F)F)s2)CC[NH+]1C ZINC000432754720 338166747 /nfs/dbraw/zinc/16/67/47/338166747.db2.gz NHJGZXWKBFXKAV-QWRGUYRKSA-N 2 2 306.397 3.681 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432793213 338168177 /nfs/dbraw/zinc/16/81/77/338168177.db2.gz NPHMKXCWLUPTIW-LLVKDONJSA-N 2 2 306.397 3.683 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000432793213 338168178 /nfs/dbraw/zinc/16/81/78/338168178.db2.gz NPHMKXCWLUPTIW-LLVKDONJSA-N 2 2 306.397 3.683 20 0 DHADLP C[N@H+](CCSCc1cn2ccccc2[nH+]1)Cc1ccccc1 ZINC000433032716 338177510 /nfs/dbraw/zinc/17/75/10/338177510.db2.gz MXQQYZOIHTZFEA-UHFFFAOYSA-N 2 2 311.454 3.700 20 0 DHADLP C[N@@H+](CCSCc1cn2ccccc2[nH+]1)Cc1ccccc1 ZINC000433032716 338177511 /nfs/dbraw/zinc/17/75/11/338177511.db2.gz MXQQYZOIHTZFEA-UHFFFAOYSA-N 2 2 311.454 3.700 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](CCc2cccc(Cl)c2Cl)CC1 ZINC000434490569 338218229 /nfs/dbraw/zinc/21/82/29/338218229.db2.gz DMDMYBQVYNFCQD-AWEZNQCLSA-N 2 2 315.288 3.952 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](CCc2cccc(Cl)c2Cl)CC1 ZINC000434490569 338218230 /nfs/dbraw/zinc/21/82/30/338218230.db2.gz DMDMYBQVYNFCQD-AWEZNQCLSA-N 2 2 315.288 3.952 20 0 DHADLP Cc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1cccc(Cl)c1 ZINC000434660301 338222650 /nfs/dbraw/zinc/22/26/50/338222650.db2.gz CAVCDRSUEQYFIJ-UHFFFAOYSA-N 2 2 321.877 3.695 20 0 DHADLP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000435387625 338238548 /nfs/dbraw/zinc/23/85/48/338238548.db2.gz BMSLFENOWASYLK-UHFFFAOYSA-N 2 2 310.441 3.546 20 0 DHADLP CSc1ccc(CC[NH2+]Cc2c[nH+]c3ccc(C)cn23)cc1 ZINC000435731448 338246620 /nfs/dbraw/zinc/24/66/20/338246620.db2.gz LPUCUKJAPDTVPB-UHFFFAOYSA-N 2 2 311.454 3.697 20 0 DHADLP CC(C)(C)C1CC([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000436468799 338273332 /nfs/dbraw/zinc/27/33/32/338273332.db2.gz NJDNJYVKNQEKEV-UHFFFAOYSA-N 2 2 311.473 3.888 20 0 DHADLP C[C@H](C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000437745130 338319880 /nfs/dbraw/zinc/31/98/80/338319880.db2.gz KSHRHZRGPXCRCD-VQIMIIECSA-N 2 2 304.453 3.880 20 0 DHADLP C[C@H](C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000437745130 338319881 /nfs/dbraw/zinc/31/98/81/338319881.db2.gz KSHRHZRGPXCRCD-VQIMIIECSA-N 2 2 304.453 3.880 20 0 DHADLP C[C@@H](C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000437745129 338319886 /nfs/dbraw/zinc/31/98/86/338319886.db2.gz KSHRHZRGPXCRCD-QFBILLFUSA-N 2 2 304.453 3.880 20 0 DHADLP C[C@@H](C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000437745129 338319887 /nfs/dbraw/zinc/31/98/87/338319887.db2.gz KSHRHZRGPXCRCD-QFBILLFUSA-N 2 2 304.453 3.880 20 0 DHADLP C[C@H]1CCC[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000437962461 338326532 /nfs/dbraw/zinc/32/65/32/338326532.db2.gz JSGLLMSEJGLXOF-ZULIPRJHSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@H]1CCC[C@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000437962461 338326533 /nfs/dbraw/zinc/32/65/33/338326533.db2.gz JSGLLMSEJGLXOF-ZULIPRJHSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@H]1CCC[C@H](C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000437962461 338326534 /nfs/dbraw/zinc/32/65/34/338326534.db2.gz JSGLLMSEJGLXOF-ZULIPRJHSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@H]1CCC[C@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000437962461 338326535 /nfs/dbraw/zinc/32/65/35/338326535.db2.gz JSGLLMSEJGLXOF-ZULIPRJHSA-N 2 2 315.505 3.833 20 0 DHADLP c1cn(-c2cccc(C[NH2+]CCCCOc3ccccc3)c2)c[nH+]1 ZINC000438088068 338330623 /nfs/dbraw/zinc/33/06/23/338330623.db2.gz NSJUBMCJPXWEQC-UHFFFAOYSA-N 2 2 321.424 3.821 20 0 DHADLP Fc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000438126422 338333683 /nfs/dbraw/zinc/33/36/83/338333683.db2.gz YONVFFOEKOHEJY-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000438126422 338333684 /nfs/dbraw/zinc/33/36/84/338333684.db2.gz YONVFFOEKOHEJY-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000438126422 338333685 /nfs/dbraw/zinc/33/36/85/338333685.db2.gz YONVFFOEKOHEJY-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000438126422 338333686 /nfs/dbraw/zinc/33/36/86/338333686.db2.gz YONVFFOEKOHEJY-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP CC1(F)CC([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000449376412 338619173 /nfs/dbraw/zinc/61/91/73/338619173.db2.gz NERXSMIUEBPAHO-UHFFFAOYSA-N 2 2 310.844 3.785 20 0 DHADLP CC[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449404826 338621619 /nfs/dbraw/zinc/62/16/19/338621619.db2.gz FPGMXHCOINVXON-RBUKOAKNSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@H](c1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1)C(F)(F)F ZINC000450252274 338673513 /nfs/dbraw/zinc/67/35/13/338673513.db2.gz HJULCGYQGOBREM-CYBMUJFWSA-N 2 2 314.395 3.878 20 0 DHADLP CCc1cc(CCC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000450716725 338700777 /nfs/dbraw/zinc/70/07/77/338700777.db2.gz YOSAGDDGFAJDTO-OAHLLOKOSA-N 2 2 324.428 3.706 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccncc1 ZINC000453060548 338788769 /nfs/dbraw/zinc/78/87/69/338788769.db2.gz RNCCYYLTRJFPIZ-UXHICEINSA-N 2 2 309.457 3.959 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000453090687 338792687 /nfs/dbraw/zinc/79/26/87/338792687.db2.gz YJCQPVMTERCKMO-KRWDZBQOSA-N 2 2 320.440 3.768 20 0 DHADLP CCn1ccnc1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453324704 338825025 /nfs/dbraw/zinc/82/50/25/338825025.db2.gz QRUBJAGLDZCDMJ-UHFFFAOYSA-N 2 2 320.525 3.672 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+]CC3(C4CCC4)CCC3)CC2)nc1 ZINC000453395472 338837582 /nfs/dbraw/zinc/83/75/82/338837582.db2.gz JVWQUWMFDQONEX-UHFFFAOYSA-N 2 2 313.489 3.606 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](c2cccs2)C(C)(C)CO)c[nH+]1 ZINC000453579773 338848973 /nfs/dbraw/zinc/84/89/73/338848973.db2.gz SGWCACPHRDNQKU-KRWDZBQOSA-N 2 2 318.486 3.734 20 0 DHADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)c(Cl)c1 ZINC000459297996 339019986 /nfs/dbraw/zinc/01/99/86/339019986.db2.gz IJSMXKLHJPOMMQ-UHFFFAOYSA-N 2 2 312.244 3.792 20 0 DHADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)c(Cl)c1 ZINC000459297996 339019987 /nfs/dbraw/zinc/01/99/87/339019987.db2.gz IJSMXKLHJPOMMQ-UHFFFAOYSA-N 2 2 312.244 3.792 20 0 DHADLP Cc1cc(F)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000459322796 339021607 /nfs/dbraw/zinc/02/16/07/339021607.db2.gz ICTYZJILIODPQC-LBPRGKRZSA-N 2 2 307.800 3.890 20 0 DHADLP Cc1cc(F)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000459322796 339021608 /nfs/dbraw/zinc/02/16/08/339021608.db2.gz ICTYZJILIODPQC-LBPRGKRZSA-N 2 2 307.800 3.890 20 0 DHADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000459387548 339026362 /nfs/dbraw/zinc/02/63/62/339026362.db2.gz ZNZKSPTWPITISZ-UHFFFAOYSA-N 2 2 324.468 3.854 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000459412645 339027748 /nfs/dbraw/zinc/02/77/48/339027748.db2.gz PSTMFDFGUZCQAS-ROJDOSBLSA-N 2 2 315.486 3.982 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000459412645 339027749 /nfs/dbraw/zinc/02/77/49/339027749.db2.gz PSTMFDFGUZCQAS-ROJDOSBLSA-N 2 2 315.486 3.982 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](C)c2nc3c(s2)CCC3)c[nH+]1 ZINC000459646099 339040048 /nfs/dbraw/zinc/04/00/48/339040048.db2.gz HXJWIGXHZWJNQP-ZDUSSCGKSA-N 2 2 301.459 3.619 20 0 DHADLP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000459652574 339040468 /nfs/dbraw/zinc/04/04/68/339040468.db2.gz UBTRBJRUIFPPPG-OAHLLOKOSA-N 2 2 309.413 3.811 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)nc1C ZINC000459661317 339041286 /nfs/dbraw/zinc/04/12/86/339041286.db2.gz GAQAIXFOXJGZTE-YWZLYKJASA-N 2 2 315.505 3.831 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)nc1C ZINC000459661995 339041351 /nfs/dbraw/zinc/04/13/51/339041351.db2.gz GOWINSFQQCHYFY-JXFKEZNVSA-N 2 2 315.505 3.831 20 0 DHADLP CCc1ccc(-c2ccc(C[NH2+]CCc3cn(C)c[nH+]3)o2)cc1 ZINC000459668084 339041829 /nfs/dbraw/zinc/04/18/29/339041829.db2.gz TUSYXBRVOBLLRP-UHFFFAOYSA-N 2 2 309.413 3.575 20 0 DHADLP Cc1ccccc1-c1ccccc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459674609 339042426 /nfs/dbraw/zinc/04/24/26/339042426.db2.gz ZQIIDYACKHPNMM-UHFFFAOYSA-N 2 2 305.425 3.728 20 0 DHADLP Cc1cccn2c(CNc3ccc(C[NH+](C)C)c(C)c3)c[nH+]c12 ZINC000459746753 339045923 /nfs/dbraw/zinc/04/59/23/339045923.db2.gz USFXAWUHXMQCTL-UHFFFAOYSA-N 2 2 308.429 3.625 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1ccn(C)n1 ZINC000459783458 339048454 /nfs/dbraw/zinc/04/84/54/339048454.db2.gz ZVNHYXTZNVLDLA-OAHLLOKOSA-N 2 2 320.525 3.750 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000167404534 339053542 /nfs/dbraw/zinc/05/35/42/339053542.db2.gz DRPDWRDCKOOYPF-ZDUSSCGKSA-N 2 2 304.331 3.548 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000167404534 339053543 /nfs/dbraw/zinc/05/35/43/339053543.db2.gz DRPDWRDCKOOYPF-ZDUSSCGKSA-N 2 2 304.331 3.548 20 0 DHADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000463026477 339101308 /nfs/dbraw/zinc/10/13/08/339101308.db2.gz YPDFJKZKXPVQNL-DOTOQJQBSA-N 2 2 304.478 3.999 20 0 DHADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000463026477 339101309 /nfs/dbraw/zinc/10/13/09/339101309.db2.gz YPDFJKZKXPVQNL-DOTOQJQBSA-N 2 2 304.478 3.999 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000466899493 339220534 /nfs/dbraw/zinc/22/05/34/339220534.db2.gz KAUAFJHNTONBAD-DOMZBBRYSA-N 2 2 312.379 3.729 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000466899493 339220535 /nfs/dbraw/zinc/22/05/35/339220535.db2.gz KAUAFJHNTONBAD-DOMZBBRYSA-N 2 2 312.379 3.729 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000467348847 339233036 /nfs/dbraw/zinc/23/30/36/339233036.db2.gz HQJJAYRYPQOKGF-IPMKNSEASA-N 2 2 315.505 3.880 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000467348847 339233037 /nfs/dbraw/zinc/23/30/37/339233037.db2.gz HQJJAYRYPQOKGF-IPMKNSEASA-N 2 2 315.505 3.880 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C1 ZINC000467378394 339235434 /nfs/dbraw/zinc/23/54/34/339235434.db2.gz VHASRTQVDGTZQY-GUDVDZBRSA-N 2 2 317.521 3.982 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000467382800 339235670 /nfs/dbraw/zinc/23/56/70/339235670.db2.gz QYSXBIPRQLLHIE-BLLLJJGKSA-N 2 2 314.395 3.566 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000467386100 339236026 /nfs/dbraw/zinc/23/60/26/339236026.db2.gz UEODJSVUKFESQP-BLLLJJGKSA-N 2 2 312.379 3.586 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000467386100 339236027 /nfs/dbraw/zinc/23/60/27/339236027.db2.gz UEODJSVUKFESQP-BLLLJJGKSA-N 2 2 312.379 3.586 20 0 DHADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000469855333 339302767 /nfs/dbraw/zinc/30/27/67/339302767.db2.gz PCKBYSXVPNNOHS-GXSJLCMTSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000469855333 339302768 /nfs/dbraw/zinc/30/27/68/339302768.db2.gz PCKBYSXVPNNOHS-GXSJLCMTSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000469855336 339302770 /nfs/dbraw/zinc/30/27/70/339302770.db2.gz PCKBYSXVPNNOHS-ONGXEEELSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000469855336 339302771 /nfs/dbraw/zinc/30/27/71/339302771.db2.gz PCKBYSXVPNNOHS-ONGXEEELSA-N 2 2 306.759 3.528 20 0 DHADLP CC1(c2ccc(Cl)cc2)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000470873918 339329872 /nfs/dbraw/zinc/32/98/72/339329872.db2.gz RKPRXQAFWDHHGD-UHFFFAOYSA-N 2 2 317.864 3.980 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000471622115 339349781 /nfs/dbraw/zinc/34/97/81/339349781.db2.gz XWKVOASNOSHPOF-LPTQZCDUSA-N 2 2 324.468 3.964 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472451182 339372248 /nfs/dbraw/zinc/37/22/48/339372248.db2.gz KHYXAWLHXLSOQH-UKRRQHHQSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472451182 339372249 /nfs/dbraw/zinc/37/22/49/339372249.db2.gz KHYXAWLHXLSOQH-UKRRQHHQSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472451182 339372250 /nfs/dbraw/zinc/37/22/50/339372250.db2.gz KHYXAWLHXLSOQH-UKRRQHHQSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472451182 339372251 /nfs/dbraw/zinc/37/22/51/339372251.db2.gz KHYXAWLHXLSOQH-UKRRQHHQSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472451183 339372264 /nfs/dbraw/zinc/37/22/64/339372264.db2.gz KHYXAWLHXLSOQH-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472451183 339372265 /nfs/dbraw/zinc/37/22/65/339372265.db2.gz KHYXAWLHXLSOQH-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472451183 339372266 /nfs/dbraw/zinc/37/22/66/339372266.db2.gz KHYXAWLHXLSOQH-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472451183 339372267 /nfs/dbraw/zinc/37/22/67/339372267.db2.gz KHYXAWLHXLSOQH-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCC(F)(F)CC1 ZINC000474037260 339398208 /nfs/dbraw/zinc/39/82/08/339398208.db2.gz CPZJWZBXTGOMFV-CYBMUJFWSA-N 2 2 307.388 3.680 20 0 DHADLP CCC(CC)[C@H]1C[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)CCO1 ZINC000474932159 339431807 /nfs/dbraw/zinc/43/18/07/339431807.db2.gz UALJOOQURQYRJJ-RTBURBONSA-N 2 2 304.478 3.896 20 0 DHADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1OCc1ccccc1 ZINC000479870518 339551736 /nfs/dbraw/zinc/55/17/36/339551736.db2.gz BILBFNWMTISTCQ-KRWDZBQOSA-N 2 2 312.457 3.868 20 0 DHADLP COc1cccc(Cl)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000480909529 339590491 /nfs/dbraw/zinc/59/04/91/339590491.db2.gz HSOBWGMATHFBDV-UHFFFAOYSA-N 2 2 310.869 3.560 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CC1(C)C ZINC000486989823 339741740 /nfs/dbraw/zinc/74/17/40/339741740.db2.gz UVKHOLVIHGDCIM-KSSFIOAISA-N 2 2 304.453 3.814 20 0 DHADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CS1 ZINC000488429699 339781727 /nfs/dbraw/zinc/78/17/27/339781727.db2.gz FDOOWVPOPQGWBW-MSOLQXFVSA-N 2 2 315.486 3.551 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000498919787 340025943 /nfs/dbraw/zinc/02/59/43/340025943.db2.gz WZJGPNHIWOYYQZ-VBKZILBWSA-N 2 2 304.437 3.829 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000498919787 340025944 /nfs/dbraw/zinc/02/59/44/340025944.db2.gz WZJGPNHIWOYYQZ-VBKZILBWSA-N 2 2 304.437 3.829 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C[N@@H+]1C1CC1 ZINC000499697312 340042859 /nfs/dbraw/zinc/04/28/59/340042859.db2.gz LOTDCQSPDVKBSX-URGYJCLVSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C[N@H+]1C1CC1 ZINC000499697312 340042860 /nfs/dbraw/zinc/04/28/60/340042860.db2.gz LOTDCQSPDVKBSX-URGYJCLVSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000499698502 340042895 /nfs/dbraw/zinc/04/28/95/340042895.db2.gz OZEMTYLLYGUMJT-UKTARXLSSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)C[N@H+]1C1CC1 ZINC000499698502 340042896 /nfs/dbraw/zinc/04/28/96/340042896.db2.gz OZEMTYLLYGUMJT-UKTARXLSSA-N 2 2 304.400 3.570 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000503049925 340119608 /nfs/dbraw/zinc/11/96/08/340119608.db2.gz BPILOCRJPRRQSP-HOTGVXAUSA-N 2 2 322.880 3.668 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000503049925 340119609 /nfs/dbraw/zinc/11/96/09/340119609.db2.gz BPILOCRJPRRQSP-HOTGVXAUSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000503049925 340119610 /nfs/dbraw/zinc/11/96/10/340119610.db2.gz BPILOCRJPRRQSP-HOTGVXAUSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000503049925 340119611 /nfs/dbraw/zinc/11/96/11/340119611.db2.gz BPILOCRJPRRQSP-HOTGVXAUSA-N 2 2 322.880 3.668 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)C[NH+]1CCCC1 ZINC000503587019 340131682 /nfs/dbraw/zinc/13/16/82/340131682.db2.gz PZYYMXSORRMHIO-INIZCTEOSA-N 2 2 314.429 3.893 20 0 DHADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc4ccccc4s3)CC2)c1 ZINC000510523489 340301834 /nfs/dbraw/zinc/30/18/34/340301834.db2.gz MBBNRMMQQBMAPM-UHFFFAOYSA-N 2 2 323.465 3.927 20 0 DHADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2CCCF)Cc2ccccc2C1 ZINC000510719364 340308048 /nfs/dbraw/zinc/30/80/48/340308048.db2.gz JNRXSKQZRWULPQ-APWZRJJASA-N 2 2 318.480 3.594 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000510871826 340313481 /nfs/dbraw/zinc/31/34/81/340313481.db2.gz ITVKXRIOAZFGJZ-MBOZVWFJSA-N 2 2 324.468 3.748 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000510871826 340313482 /nfs/dbraw/zinc/31/34/82/340313482.db2.gz ITVKXRIOAZFGJZ-MBOZVWFJSA-N 2 2 324.468 3.748 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(C)(C)C ZINC000510979608 340316917 /nfs/dbraw/zinc/31/69/17/340316917.db2.gz VTMQAKSCQSUXAG-QRQLOZEOSA-N 2 2 318.505 3.863 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)(C)C ZINC000510979608 340316918 /nfs/dbraw/zinc/31/69/18/340316918.db2.gz VTMQAKSCQSUXAG-QRQLOZEOSA-N 2 2 318.505 3.863 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000511648792 340333704 /nfs/dbraw/zinc/33/37/04/340333704.db2.gz NROABCXPNIRKKZ-SEBUGHOLSA-N 2 2 304.865 3.658 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000511648792 340333705 /nfs/dbraw/zinc/33/37/05/340333705.db2.gz NROABCXPNIRKKZ-SEBUGHOLSA-N 2 2 304.865 3.658 20 0 DHADLP FC(F)C1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCCC1 ZINC000512860109 340381134 /nfs/dbraw/zinc/38/11/34/340381134.db2.gz GVVBVYPUEBWXIZ-UHFFFAOYSA-N 2 2 311.401 3.991 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512869396 340381781 /nfs/dbraw/zinc/38/17/81/340381781.db2.gz RHGLXEJSLOEFFU-ZFWWWQNUSA-N 2 2 312.379 3.754 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512869396 340381782 /nfs/dbraw/zinc/38/17/82/340381782.db2.gz RHGLXEJSLOEFFU-ZFWWWQNUSA-N 2 2 312.379 3.754 20 0 DHADLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000512992061 340387313 /nfs/dbraw/zinc/38/73/13/340387313.db2.gz KXYKQPQONONGSX-GOSISDBHSA-N 2 2 324.896 3.565 20 0 DHADLP C[C@H]1CC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C[C@H](C)C1 ZINC000513238783 340398960 /nfs/dbraw/zinc/39/89/60/340398960.db2.gz QCXAPCPWGYBXBS-CHWSQXEVSA-N 2 2 306.416 3.818 20 0 DHADLP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513238222 340399076 /nfs/dbraw/zinc/39/90/76/340399076.db2.gz KFCKGSCNXUCHDI-UKRRQHHQSA-N 2 2 306.416 3.962 20 0 DHADLP CC[NH+](CC)CCC[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000513889116 340431274 /nfs/dbraw/zinc/43/12/74/340431274.db2.gz MSAXPQIDCQFHSH-UHFFFAOYSA-N 2 2 316.489 3.622 20 0 DHADLP Cc1nc(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc[nH+]1 ZINC000184351211 340492225 /nfs/dbraw/zinc/49/22/25/340492225.db2.gz IWNINVVUXLCOKW-CQSZACIVSA-N 2 2 324.350 3.519 20 0 DHADLP Clc1csc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000193001355 340571378 /nfs/dbraw/zinc/57/13/78/340571378.db2.gz UGTLNWYPAMGZET-UHFFFAOYSA-N 2 2 317.845 3.936 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194008414 340587939 /nfs/dbraw/zinc/58/79/39/340587939.db2.gz IHZNFQRLDFLURR-GOSISDBHSA-N 2 2 324.896 3.882 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194008403 340588004 /nfs/dbraw/zinc/58/80/04/340588004.db2.gz IHZNFQRLDFLURR-SFHVURJKSA-N 2 2 324.896 3.882 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530215933 340782708 /nfs/dbraw/zinc/78/27/08/340782708.db2.gz KLYDSJASSQOYGX-MSOLQXFVSA-N 2 2 309.457 3.728 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530215935 340782710 /nfs/dbraw/zinc/78/27/10/340782710.db2.gz KLYDSJASSQOYGX-ROUUACIJSA-N 2 2 309.457 3.728 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)F)cc1 ZINC000530224951 340783062 /nfs/dbraw/zinc/78/30/62/340783062.db2.gz WEMNLPAZLIQEDU-LSDHHAIUSA-N 2 2 310.388 3.613 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1OC(F)F ZINC000530225878 340783126 /nfs/dbraw/zinc/78/31/26/340783126.db2.gz XYHCRWSTYMIPAA-DZGCQCFKSA-N 2 2 310.388 3.613 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)F)cc1 ZINC000530224942 340783140 /nfs/dbraw/zinc/78/31/40/340783140.db2.gz WEMNLPAZLIQEDU-CABCVRRESA-N 2 2 310.388 3.613 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)C2CCOCC2)[NH+]2CCCC2)cc1 ZINC000125045067 340802034 /nfs/dbraw/zinc/80/20/34/340802034.db2.gz ITDOGIROAKAQJI-FXAWDEMLSA-N 2 2 316.489 3.537 20 0 DHADLP CC[C@H]1CCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540788012 340945955 /nfs/dbraw/zinc/94/59/55/340945955.db2.gz RWXODIOTWQNOPH-MAUKXSAKSA-N 2 2 316.493 3.603 20 0 DHADLP C[C@@H]1CCCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000541774935 340983799 /nfs/dbraw/zinc/98/37/99/340983799.db2.gz AICSTWYTRDYVCJ-CRAIPNDOSA-N 2 2 316.493 3.603 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cc2ccccc2o1 ZINC000130687422 341039283 /nfs/dbraw/zinc/03/92/83/341039283.db2.gz KHFLHADAWMNHKX-CQSZACIVSA-N 2 2 305.381 3.974 20 0 DHADLP Clc1ccc(C[N@H+](CCn2cc[nH+]c2)C2CC2)cc1Cl ZINC000130709953 341039772 /nfs/dbraw/zinc/03/97/72/341039772.db2.gz SXHNHUSOYJKVBB-UHFFFAOYSA-N 2 2 310.228 3.855 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)[C@H](C)C1 ZINC000544355966 341077817 /nfs/dbraw/zinc/07/78/17/341077817.db2.gz WRAQAHAJGGTQHP-WCVJEAGWSA-N 2 2 303.494 3.910 20 0 DHADLP C[C@@H](CC[NH2+][C@@H]1CCc2c1c(F)ccc2F)[NH+]1CCCCC1 ZINC000544374670 341079043 /nfs/dbraw/zinc/07/90/43/341079043.db2.gz ZZOKYOBXLXLWJL-SUMWQHHRSA-N 2 2 308.416 3.806 20 0 DHADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000131722071 341110105 /nfs/dbraw/zinc/11/01/05/341110105.db2.gz HDSPJNSJLSVZPN-HNNXBMFYSA-N 2 2 318.486 3.905 20 0 DHADLP CCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000131722071 341110106 /nfs/dbraw/zinc/11/01/06/341110106.db2.gz HDSPJNSJLSVZPN-HNNXBMFYSA-N 2 2 318.486 3.905 20 0 DHADLP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2)ccc1Br ZINC000073852676 341122133 /nfs/dbraw/zinc/12/21/33/341122133.db2.gz BXYJZIZFXBSOLM-UHFFFAOYSA-N 2 2 322.250 3.524 20 0 DHADLP CC1=CC[N@H+](CC[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000546563880 341173146 /nfs/dbraw/zinc/17/31/46/341173146.db2.gz REIMULWXZVPHHW-UHFFFAOYSA-N 2 2 315.848 3.630 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000546563880 341173147 /nfs/dbraw/zinc/17/31/47/341173147.db2.gz REIMULWXZVPHHW-UHFFFAOYSA-N 2 2 315.848 3.630 20 0 DHADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000547280436 341203358 /nfs/dbraw/zinc/20/33/58/341203358.db2.gz DSXWVBVPTBMAEN-AWEZNQCLSA-N 2 2 310.388 3.591 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000547280436 341203359 /nfs/dbraw/zinc/20/33/59/341203359.db2.gz DSXWVBVPTBMAEN-AWEZNQCLSA-N 2 2 310.388 3.591 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000548635014 341268183 /nfs/dbraw/zinc/26/81/83/341268183.db2.gz FILIBVJILRFXKF-GOEBONIOSA-N 2 2 301.821 3.519 20 0 DHADLP CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000549988263 341308230 /nfs/dbraw/zinc/30/82/30/341308230.db2.gz PWMAVMQIBVSFCC-QGZVFWFLSA-N 2 2 305.853 3.784 20 0 DHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000246033383 341322470 /nfs/dbraw/zinc/32/24/70/341322470.db2.gz WHQYVULBFBHAIX-GHTZIAJQSA-N 2 2 323.484 3.881 20 0 DHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)c2ccccn2)C1 ZINC000246033383 341322471 /nfs/dbraw/zinc/32/24/71/341322471.db2.gz WHQYVULBFBHAIX-GHTZIAJQSA-N 2 2 323.484 3.881 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000550999774 341328877 /nfs/dbraw/zinc/32/88/77/341328877.db2.gz MKYHBDJHEZZCGT-INIZCTEOSA-N 2 2 301.821 3.650 20 0 DHADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)[N@H+](C)C1CC1 ZINC000551030653 341329687 /nfs/dbraw/zinc/32/96/87/341329687.db2.gz YIIBRCAPHNQCSQ-ACJLOTCBSA-N 2 2 306.881 3.733 20 0 DHADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)[N@@H+](C)C1CC1 ZINC000551030653 341329688 /nfs/dbraw/zinc/32/96/88/341329688.db2.gz YIIBRCAPHNQCSQ-ACJLOTCBSA-N 2 2 306.881 3.733 20 0 DHADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H]1Cc1ccccc1 ZINC000551098220 341331578 /nfs/dbraw/zinc/33/15/78/341331578.db2.gz WGUSGGTZTMROMP-UXHICEINSA-N 2 2 300.490 3.956 20 0 DHADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H]1Cc1ccccc1 ZINC000551098220 341331579 /nfs/dbraw/zinc/33/15/79/341331579.db2.gz WGUSGGTZTMROMP-UXHICEINSA-N 2 2 300.490 3.956 20 0 DHADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000551098220 341331580 /nfs/dbraw/zinc/33/15/80/341331580.db2.gz WGUSGGTZTMROMP-UXHICEINSA-N 2 2 300.490 3.956 20 0 DHADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000551098220 341331581 /nfs/dbraw/zinc/33/15/81/341331581.db2.gz WGUSGGTZTMROMP-UXHICEINSA-N 2 2 300.490 3.956 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000551241382 341335176 /nfs/dbraw/zinc/33/51/76/341335176.db2.gz LBYVZQCRALZTPH-NHFHULPWSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000551241382 341335177 /nfs/dbraw/zinc/33/51/77/341335177.db2.gz LBYVZQCRALZTPH-NHFHULPWSA-N 2 2 315.505 3.706 20 0 DHADLP CC(F)(F)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000551262600 341335810 /nfs/dbraw/zinc/33/58/10/341335810.db2.gz DLJCCONYQQCSTE-GVDBMIGSSA-N 2 2 308.416 3.532 20 0 DHADLP CC(F)(F)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000551262600 341335811 /nfs/dbraw/zinc/33/58/11/341335811.db2.gz DLJCCONYQQCSTE-GVDBMIGSSA-N 2 2 308.416 3.532 20 0 DHADLP CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](C)C(C)C ZINC000551379890 341339940 /nfs/dbraw/zinc/33/99/40/341339940.db2.gz AEOGXXAELAOWLC-AZUAARDMSA-N 2 2 318.505 3.644 20 0 DHADLP CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](C)C(C)C ZINC000551379890 341339941 /nfs/dbraw/zinc/33/99/41/341339941.db2.gz AEOGXXAELAOWLC-AZUAARDMSA-N 2 2 318.505 3.644 20 0 DHADLP CC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](C)C(C)C ZINC000551379890 341339942 /nfs/dbraw/zinc/33/99/42/341339942.db2.gz AEOGXXAELAOWLC-AZUAARDMSA-N 2 2 318.505 3.644 20 0 DHADLP CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](C)C(C)C ZINC000551379890 341339943 /nfs/dbraw/zinc/33/99/43/341339943.db2.gz AEOGXXAELAOWLC-AZUAARDMSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC000246327613 341342306 /nfs/dbraw/zinc/34/23/06/341342306.db2.gz FXGQTKLIPZAWNQ-FUHWJXTLSA-N 2 2 303.494 3.708 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC000246327613 341342307 /nfs/dbraw/zinc/34/23/07/341342307.db2.gz FXGQTKLIPZAWNQ-FUHWJXTLSA-N 2 2 303.494 3.708 20 0 DHADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551570326 341345964 /nfs/dbraw/zinc/34/59/64/341345964.db2.gz NALFOAHYWSSPJP-ZDUSSCGKSA-N 2 2 319.399 3.609 20 0 DHADLP Clc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246877453 341358039 /nfs/dbraw/zinc/35/80/39/341358039.db2.gz QIZJYMHBSMBHES-SWLSCSKDSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246877453 341358040 /nfs/dbraw/zinc/35/80/40/341358040.db2.gz QIZJYMHBSMBHES-SWLSCSKDSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000246877453 341358041 /nfs/dbraw/zinc/35/80/41/341358041.db2.gz QIZJYMHBSMBHES-SWLSCSKDSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000246877453 341358042 /nfs/dbraw/zinc/35/80/42/341358042.db2.gz QIZJYMHBSMBHES-SWLSCSKDSA-N 2 2 310.894 3.850 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000247142157 341361418 /nfs/dbraw/zinc/36/14/18/341361418.db2.gz WFLVCMDMKWHYOI-LZLYRXPVSA-N 2 2 304.478 3.615 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000247142157 341361419 /nfs/dbraw/zinc/36/14/19/341361419.db2.gz WFLVCMDMKWHYOI-LZLYRXPVSA-N 2 2 304.478 3.615 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000247340142 341363644 /nfs/dbraw/zinc/36/36/44/341363644.db2.gz NSOUJGZPKWAIMK-CDHQVMDDSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000247340142 341363645 /nfs/dbraw/zinc/36/36/45/341363645.db2.gz NSOUJGZPKWAIMK-CDHQVMDDSA-N 2 2 312.432 3.987 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000248065433 341372812 /nfs/dbraw/zinc/37/28/12/341372812.db2.gz ZKLCMNCFHXPDPT-RRFJBIMHSA-N 2 2 317.502 3.862 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000248065433 341372813 /nfs/dbraw/zinc/37/28/13/341372813.db2.gz ZKLCMNCFHXPDPT-RRFJBIMHSA-N 2 2 317.502 3.862 20 0 DHADLP Cc1ccc2c(C)cc(N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)[nH+]c2c1 ZINC000553337367 341426260 /nfs/dbraw/zinc/42/62/60/341426260.db2.gz GUYLBKKBKRFPHP-IRXDYDNUSA-N 2 2 309.457 3.915 20 0 DHADLP CC[NH+](CC)[C@H](CN[C@@H](C)c1cn2ccccc2[nH+]1)CC(C)C ZINC000556237997 341498585 /nfs/dbraw/zinc/49/85/85/341498585.db2.gz HYQXENQRNLIWIT-IRXDYDNUSA-N 2 2 316.493 3.741 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000565243065 341521240 /nfs/dbraw/zinc/52/12/40/341521240.db2.gz AHOUVMNORQQHNU-ZJRDLVKKSA-N 2 2 322.537 3.967 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1C ZINC000566748902 341567157 /nfs/dbraw/zinc/56/71/57/341567157.db2.gz OWBZEZFPIMXEMQ-GOEBONIOSA-N 2 2 303.837 3.808 20 0 DHADLP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000155696375 341611499 /nfs/dbraw/zinc/61/14/99/341611499.db2.gz HDKYTASJBWACLV-OAHLLOKOSA-N 2 2 309.413 3.811 20 0 DHADLP c1cn(CC[NH2+][C@H](CCc2ccccc2)c2ccccc2)c[nH+]1 ZINC000155711341 341611743 /nfs/dbraw/zinc/61/17/43/341611743.db2.gz PNBHKYWZGIJPHF-HXUWFJFHSA-N 2 2 305.425 3.847 20 0 DHADLP COc1ccc([C@@H](C[NH2+][C@H]2CC=C(C)CC2)[NH+]2CCCC2)cc1 ZINC000572587802 341634909 /nfs/dbraw/zinc/63/49/09/341634909.db2.gz QGRGJHJZXGAJFL-AZUAARDMSA-N 2 2 314.473 3.921 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccc(Cl)c3)CCCC2)n1C ZINC000577627749 341925361 /nfs/dbraw/zinc/92/53/61/341925361.db2.gz HEBWWUCUPUICRX-UHFFFAOYSA-N 2 2 317.864 3.984 20 0 DHADLP CC(C)(C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)[NH+]1CCCCC1 ZINC000337331613 519272238 /nfs/dbraw/zinc/27/22/38/519272238.db2.gz HMKKCVWRKIOSTD-MJGOQNOKSA-N 2 2 315.505 3.962 20 0 DHADLP CC(C)[NH+](CCCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000127487097 519643869 /nfs/dbraw/zinc/64/38/69/519643869.db2.gz GLAHRIKGSPFNIW-GOSISDBHSA-N 2 2 314.477 3.598 20 0 DHADLP CC(C)n1cc([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000156223821 519978173 /nfs/dbraw/zinc/97/81/73/519978173.db2.gz HQMIQIQRNMTSNO-AWEZNQCLSA-N 2 2 311.433 3.624 20 0 DHADLP CC(C)n1cc[nH+]c1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000337350246 520027209 /nfs/dbraw/zinc/02/72/09/520027209.db2.gz RSIBHPMPNQLNPY-UHFFFAOYSA-N 2 2 318.509 3.552 20 0 DHADLP CC(C)n1cc[nH+]c1CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000337350246 520027220 /nfs/dbraw/zinc/02/72/20/520027220.db2.gz RSIBHPMPNQLNPY-UHFFFAOYSA-N 2 2 318.509 3.552 20 0 DHADLP CC[NH+](CC)CCC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000338340881 520603992 /nfs/dbraw/zinc/60/39/92/520603992.db2.gz BAZVQXMHHYWTFL-UHFFFAOYSA-N 2 2 309.885 3.646 20 0 DHADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000338277007 520608723 /nfs/dbraw/zinc/60/87/23/520608723.db2.gz QEAIKHHOPJOGQV-OAHLLOKOSA-N 2 2 308.491 3.517 20 0 DHADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000338277007 520608724 /nfs/dbraw/zinc/60/87/24/520608724.db2.gz QEAIKHHOPJOGQV-OAHLLOKOSA-N 2 2 308.491 3.517 20 0 DHADLP CCC[C@@H](C)[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162260228 520669200 /nfs/dbraw/zinc/66/92/00/520669200.db2.gz VVYHLZKZXKJUTJ-VQIMIIECSA-N 2 2 303.494 3.850 20 0 DHADLP CC[NH+](CC)[C@@H](c1nc([C@H]([NH3+])CC(C)C)no1)c1ccccc1 ZINC000339390974 520839971 /nfs/dbraw/zinc/83/99/71/520839971.db2.gz HORRRMHVDYLOSQ-HZPDHXFCSA-N 2 2 316.449 3.547 20 0 DHADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000182593262 520861296 /nfs/dbraw/zinc/86/12/96/520861296.db2.gz QYFOPVIETKZPLV-YLJYHZDGSA-N 2 2 313.489 3.628 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1OCC ZINC000156596116 521257691 /nfs/dbraw/zinc/25/76/91/521257691.db2.gz MVADIYHXPDOJJH-DOTOQJQBSA-N 2 2 320.477 3.619 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)cc1OCC ZINC000156596116 521257697 /nfs/dbraw/zinc/25/76/97/521257697.db2.gz MVADIYHXPDOJJH-DOTOQJQBSA-N 2 2 320.477 3.619 20 0 DHADLP CCOC1CC(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000189253475 521647089 /nfs/dbraw/zinc/64/70/89/521647089.db2.gz ZZRZTNQGNXHLKO-MDCZIUGASA-N 2 2 313.445 3.728 20 0 DHADLP CCc1nc(C)c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000130555123 522223786 /nfs/dbraw/zinc/22/37/86/522223786.db2.gz PEAHVGKXCJVGAT-GFCCVEGCSA-N 2 2 314.458 3.555 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCO[C@H](C)C3)ccc2n1C1CC1 ZINC000338463569 522484452 /nfs/dbraw/zinc/48/44/52/522484452.db2.gz YFJXGMRFDXTKCB-UKRRQHHQSA-N 2 2 313.445 3.591 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccco1 ZINC000156705075 522729170 /nfs/dbraw/zinc/72/91/70/522729170.db2.gz JEYHKMONEBDINH-SZMVWBNQSA-N 2 2 320.477 3.600 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccco1 ZINC000156629007 522730477 /nfs/dbraw/zinc/73/04/77/522730477.db2.gz XBVPYMHPKOUBDQ-NJAFHUGGSA-N 2 2 320.477 3.600 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000338281692 522803850 /nfs/dbraw/zinc/80/38/50/522803850.db2.gz SHFINOYKJDIHOO-UHFFFAOYSA-N 2 2 305.425 3.995 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000338281692 522803859 /nfs/dbraw/zinc/80/38/59/522803859.db2.gz SHFINOYKJDIHOO-UHFFFAOYSA-N 2 2 305.425 3.995 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(C2CCCC2)n1 ZINC000181077887 522804718 /nfs/dbraw/zinc/80/47/18/522804718.db2.gz RKTUHDWQTMTXAU-UHFFFAOYSA-N 2 2 304.463 3.519 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(C2CCCC2)n1 ZINC000181077887 522804724 /nfs/dbraw/zinc/80/47/24/522804724.db2.gz RKTUHDWQTMTXAU-UHFFFAOYSA-N 2 2 304.463 3.519 20 0 DHADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(OC)cc1 ZINC000130603750 522843743 /nfs/dbraw/zinc/84/37/43/522843743.db2.gz QNQPZPFSPFIRBW-GOSISDBHSA-N 2 2 309.413 3.626 20 0 DHADLP CCc1nocc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000339262683 522935371 /nfs/dbraw/zinc/93/53/71/522935371.db2.gz FLIIMFGDTSIQJS-HNNXBMFYSA-N 2 2 313.445 3.552 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337306278 523788912 /nfs/dbraw/zinc/78/89/12/523788912.db2.gz RVCBJCXSLICHRH-QRQLOZEOSA-N 2 2 315.505 3.818 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337306278 523788918 /nfs/dbraw/zinc/78/89/18/523788918.db2.gz RVCBJCXSLICHRH-QRQLOZEOSA-N 2 2 315.505 3.818 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2sccc2Cl)[C@@H]1c1cccnc1 ZINC000365944991 523962369 /nfs/dbraw/zinc/96/23/69/523962369.db2.gz KOAANFMSJYRFQA-BBRMVZONSA-N 2 2 321.877 3.579 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2sccc2Cl)[C@@H]1c1cccnc1 ZINC000365944991 523962373 /nfs/dbraw/zinc/96/23/73/523962373.db2.gz KOAANFMSJYRFQA-BBRMVZONSA-N 2 2 321.877 3.579 20 0 DHADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000364944980 524299478 /nfs/dbraw/zinc/29/94/78/524299478.db2.gz BPVLMWCSHHLWRX-QHGAOEGBSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCC2(CCCO2)CC1 ZINC000364944980 524299486 /nfs/dbraw/zinc/29/94/86/524299486.db2.gz BPVLMWCSHHLWRX-QHGAOEGBSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156466572 524300112 /nfs/dbraw/zinc/30/01/12/524300112.db2.gz PXRDEWYHOGLOPG-RDJZCZTQSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156466572 524300122 /nfs/dbraw/zinc/30/01/22/524300122.db2.gz PXRDEWYHOGLOPG-RDJZCZTQSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268743280 524546445 /nfs/dbraw/zinc/54/64/45/524546445.db2.gz DPKJNFNSCGQDEI-INIZCTEOSA-N 2 2 309.413 3.635 20 0 DHADLP C[C@@H](C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000267390886 524572882 /nfs/dbraw/zinc/57/28/82/524572882.db2.gz OPKJHZBOGQMWJN-INIZCTEOSA-N 2 2 306.413 3.503 20 0 DHADLP C[C@@H](C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000267390886 524572886 /nfs/dbraw/zinc/57/28/86/524572886.db2.gz OPKJHZBOGQMWJN-INIZCTEOSA-N 2 2 306.413 3.503 20 0 DHADLP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162245192 524611420 /nfs/dbraw/zinc/61/14/20/524611420.db2.gz OIZCGGSNWASXLU-OAHLLOKOSA-N 2 2 321.534 3.556 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000156218643 525318914 /nfs/dbraw/zinc/31/89/14/525318914.db2.gz VJPDGYWAWHQHOZ-AWEZNQCLSA-N 2 2 309.413 3.855 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cncc(F)c1 ZINC000132350944 525403073 /nfs/dbraw/zinc/40/30/73/525403073.db2.gz DLPPQAOHCRAPSV-OAHLLOKOSA-N 2 2 313.420 3.536 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cnc2ccsc2c1 ZINC000163844506 525437511 /nfs/dbraw/zinc/43/75/11/525437511.db2.gz YIABBRQPFNAEHM-CYBMUJFWSA-N 2 2 312.442 3.844 20 0 DHADLP CSc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365666438 525990459 /nfs/dbraw/zinc/99/04/59/525990459.db2.gz QTPNJMHGFDAMTD-HNNXBMFYSA-N 2 2 301.459 3.522 20 0 DHADLP CSc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365666438 525990465 /nfs/dbraw/zinc/99/04/65/525990465.db2.gz QTPNJMHGFDAMTD-HNNXBMFYSA-N 2 2 301.459 3.522 20 0 DHADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106162993 526064304 /nfs/dbraw/zinc/06/43/04/526064304.db2.gz VASYOSALTXMLSW-CYBMUJFWSA-N 2 2 319.399 3.714 20 0 DHADLP C[C@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000266361069 526133622 /nfs/dbraw/zinc/13/36/22/526133622.db2.gz KQCMVDZTOZQFDW-CQSZACIVSA-N 2 2 324.453 3.575 20 0 DHADLP c1c[nH]c([C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C2CCCCC2)n1 ZINC000367639783 526408580 /nfs/dbraw/zinc/40/85/80/526408580.db2.gz XHCZTZYEPXDYAL-DAWZGUTISA-N 2 2 316.493 3.638 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)[nH]1 ZINC000267406143 526409233 /nfs/dbraw/zinc/40/92/33/526409233.db2.gz HBOSYNQSCHONEP-GFCCVEGCSA-N 2 2 314.414 3.506 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)[nH]1 ZINC000267406143 526409236 /nfs/dbraw/zinc/40/92/36/526409236.db2.gz HBOSYNQSCHONEP-GFCCVEGCSA-N 2 2 314.414 3.506 20 0 DHADLP Fc1ccccc1SCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267448677 526417444 /nfs/dbraw/zinc/41/74/44/526417444.db2.gz QUCBIFCJSWPUMA-CYBMUJFWSA-N 2 2 305.422 3.521 20 0 DHADLP Fc1ccccc1SCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267448677 526417452 /nfs/dbraw/zinc/41/74/52/526417452.db2.gz QUCBIFCJSWPUMA-CYBMUJFWSA-N 2 2 305.422 3.521 20 0 DHADLP c1cn(-c2csc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)c2)c[nH+]1 ZINC000339514720 526528227 /nfs/dbraw/zinc/52/82/27/526528227.db2.gz USUBIFLTWUFEGS-YJBOKZPZSA-N 2 2 309.438 3.827 20 0 DHADLP c1cn(CCC[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000182621173 526530415 /nfs/dbraw/zinc/53/04/15/526530415.db2.gz SDXZUYPYWIHRPC-HNNXBMFYSA-N 2 2 312.442 3.720 20 0 DHADLP c1cn(CCC[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000182621173 526530417 /nfs/dbraw/zinc/53/04/17/526530417.db2.gz SDXZUYPYWIHRPC-HNNXBMFYSA-N 2 2 312.442 3.720 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155720986 526606288 /nfs/dbraw/zinc/60/62/88/526606288.db2.gz HDRGFJYQDOFVSS-ZDUSSCGKSA-N 2 2 312.442 3.666 20 0 DHADLP Cc1nc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)s1 ZINC000336856650 526859616 /nfs/dbraw/zinc/85/96/16/526859616.db2.gz NKMSWLIQTIFMEV-PBHICJAKSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)s1 ZINC000336856650 526859622 /nfs/dbraw/zinc/85/96/22/526859622.db2.gz NKMSWLIQTIFMEV-PBHICJAKSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)s1 ZINC000336856650 526859627 /nfs/dbraw/zinc/85/96/27/526859627.db2.gz NKMSWLIQTIFMEV-PBHICJAKSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)s1 ZINC000336856650 526859634 /nfs/dbraw/zinc/85/96/34/526859634.db2.gz NKMSWLIQTIFMEV-PBHICJAKSA-N 2 2 321.534 3.846 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000130151326 527677198 /nfs/dbraw/zinc/67/71/98/527677198.db2.gz SDKOAGNMJSKOEO-OLZOCXBDSA-N 2 2 301.356 3.594 20 0 DHADLP CCCC1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000121345813 534927656 /nfs/dbraw/zinc/92/76/56/534927656.db2.gz ISHLKXSRRBOSBH-UHFFFAOYSA-N 2 2 301.478 3.999 20 0 DHADLP C[NH+](C)CCOc1cccc(-c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000846779291 1032065681 /nfs/dbraw/zinc/06/56/81/1032065681.db2.gz LBACPLPKBSZBTC-UHFFFAOYSA-N 2 2 321.424 3.539 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCC2(F)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000558424801 1013264377 /nfs/dbraw/zinc/26/43/77/1013264377.db2.gz DLNCNYTXQPOINV-AEFFLSMTSA-N 2 2 304.453 3.769 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCC2(F)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000558424801 1013264383 /nfs/dbraw/zinc/26/43/83/1013264383.db2.gz DLNCNYTXQPOINV-AEFFLSMTSA-N 2 2 304.453 3.769 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C[N@@H+]1C1CC1 ZINC000120713042 1013335445 /nfs/dbraw/zinc/33/54/45/1013335445.db2.gz VEECMHCVSYLMSQ-WFASDCNBSA-N 2 2 317.864 3.579 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C[N@H+]1C1CC1 ZINC000120713042 1013335451 /nfs/dbraw/zinc/33/54/51/1013335451.db2.gz VEECMHCVSYLMSQ-WFASDCNBSA-N 2 2 317.864 3.579 20 0 DHADLP Cc1c(F)ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1F ZINC001167971207 1013385628 /nfs/dbraw/zinc/38/56/28/1013385628.db2.gz SLXPEIXIVWGIBZ-ALOPSCKCSA-N 2 2 320.427 3.768 20 0 DHADLP Cc1c(F)ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1F ZINC001167971207 1013385638 /nfs/dbraw/zinc/38/56/38/1013385638.db2.gz SLXPEIXIVWGIBZ-ALOPSCKCSA-N 2 2 320.427 3.768 20 0 DHADLP C[C@H](C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl)C[NH+](C)C ZINC000388674888 1013389656 /nfs/dbraw/zinc/38/96/56/1013389656.db2.gz QTUYVLCQOMEMFU-NXEZZACHSA-N 2 2 307.240 3.981 20 0 DHADLP CC[N@H+](Cc1nc(C(C)C)c[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894767225 1013485939 /nfs/dbraw/zinc/48/59/39/1013485939.db2.gz XRYPMGBSGHLMIM-UHFFFAOYSA-N 2 2 314.477 3.617 20 0 DHADLP CC[N@@H+](Cc1nc(C(C)C)c[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894767225 1013485948 /nfs/dbraw/zinc/48/59/48/1013485948.db2.gz XRYPMGBSGHLMIM-UHFFFAOYSA-N 2 2 314.477 3.617 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000519774725 1013601022 /nfs/dbraw/zinc/60/10/22/1013601022.db2.gz MOUIQIWOTYCPHH-ROUUACIJSA-N 2 2 303.494 3.503 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655687515 1013639068 /nfs/dbraw/zinc/63/90/68/1013639068.db2.gz YZUDRJKGQOZWLC-ROUUACIJSA-N 2 2 322.880 3.634 20 0 DHADLP COc1c(C)cccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000655810451 1013734559 /nfs/dbraw/zinc/73/45/59/1013734559.db2.gz MAWHFIMHVSCXLQ-UHFFFAOYSA-N 2 2 324.468 3.758 20 0 DHADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1C(C)(C)C ZINC000655848813 1013779417 /nfs/dbraw/zinc/77/94/17/1013779417.db2.gz LFVDPTAMCMLEJK-JCGIZDLHSA-N 2 2 318.509 3.614 20 0 DHADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cnn1C(C)(C)C ZINC000655848813 1013779426 /nfs/dbraw/zinc/77/94/26/1013779426.db2.gz LFVDPTAMCMLEJK-JCGIZDLHSA-N 2 2 318.509 3.614 20 0 DHADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000655858280 1013787267 /nfs/dbraw/zinc/78/72/67/1013787267.db2.gz XJSAGHWXPZIEPG-PUWFUPIHSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000655858280 1013787268 /nfs/dbraw/zinc/78/72/68/1013787268.db2.gz XJSAGHWXPZIEPG-PUWFUPIHSA-N 2 2 306.400 3.585 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccccc1 ZINC000683690596 1013858389 /nfs/dbraw/zinc/85/83/89/1013858389.db2.gz LUYHPZXGQMZMFA-ZWKOTPCHSA-N 2 2 321.424 3.964 20 0 DHADLP Clc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)s1 ZINC000312613127 1013921841 /nfs/dbraw/zinc/92/18/41/1013921841.db2.gz MJWBAWBQZCPBAS-VIFPVBQESA-N 2 2 305.274 3.629 20 0 DHADLP Clc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)s1 ZINC000312613127 1013921843 /nfs/dbraw/zinc/92/18/43/1013921843.db2.gz MJWBAWBQZCPBAS-VIFPVBQESA-N 2 2 305.274 3.629 20 0 DHADLP c1ccc(NCCCC[NH2+]Cc2ccc3cnccc3c2)[nH+]c1 ZINC000683770106 1013978130 /nfs/dbraw/zinc/97/81/30/1013978130.db2.gz YBUBXKWZTBKKNQ-UHFFFAOYSA-N 2 2 306.413 3.612 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)c1 ZINC000580127608 1014039758 /nfs/dbraw/zinc/03/97/58/1014039758.db2.gz UEJDHNUURPVFMY-ITXXBFQVSA-N 2 2 320.427 3.817 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)c1 ZINC000580127608 1014039760 /nfs/dbraw/zinc/03/97/60/1014039760.db2.gz UEJDHNUURPVFMY-ITXXBFQVSA-N 2 2 320.427 3.817 20 0 DHADLP COC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(Cl)c1 ZINC000564431945 1014236855 /nfs/dbraw/zinc/23/68/55/1014236855.db2.gz MCNFHYKHGQZCHS-QAPCUYQASA-N 2 2 324.896 3.882 20 0 DHADLP COC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(Cl)c1 ZINC000564431945 1014236858 /nfs/dbraw/zinc/23/68/58/1014236858.db2.gz MCNFHYKHGQZCHS-QAPCUYQASA-N 2 2 324.896 3.882 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Br)cs2)c2ccccc21 ZINC000132124154 1014261224 /nfs/dbraw/zinc/26/12/24/1014261224.db2.gz YWAKVZMKXNNCCE-KBPBESRZSA-N 2 2 323.259 3.745 20 0 DHADLP COCCC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CCCCC1 ZINC000623728713 1014268606 /nfs/dbraw/zinc/26/86/06/1014268606.db2.gz YAWSCRQYOIMDGG-GOSISDBHSA-N 2 2 308.510 3.580 20 0 DHADLP COCCC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC000623728713 1014268614 /nfs/dbraw/zinc/26/86/14/1014268614.db2.gz YAWSCRQYOIMDGG-GOSISDBHSA-N 2 2 308.510 3.580 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000656276806 1014300867 /nfs/dbraw/zinc/30/08/67/1014300867.db2.gz INNDOJXBWWRVQU-CTVCJKGISA-N 2 2 320.427 3.817 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000656276806 1014300877 /nfs/dbraw/zinc/30/08/77/1014300877.db2.gz INNDOJXBWWRVQU-CTVCJKGISA-N 2 2 320.427 3.817 20 0 DHADLP Cc1cccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001168005759 1014405313 /nfs/dbraw/zinc/40/53/13/1014405313.db2.gz KGFOQCHABAXUMC-QZTJIDSGSA-N 2 2 323.484 3.921 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(Cc2cc(F)cc(F)c2)c2cccc[nH+]2)CC1 ZINC000895110585 1014434449 /nfs/dbraw/zinc/43/44/49/1014434449.db2.gz PTXGEZHOTBKLCO-QAQDUYKDSA-N 2 2 317.383 3.636 20 0 DHADLP C[C@@H](Cc1cccs1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110562 1014434204 /nfs/dbraw/zinc/43/42/04/1014434204.db2.gz PDZRVQACJNVZJM-JYJNAYRXSA-N 2 2 315.486 3.851 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(Cc2cccc3cc[nH]c32)c2cccc[nH+]2)CC1 ZINC000895110860 1014435783 /nfs/dbraw/zinc/43/57/83/1014435783.db2.gz ALTWNFRDRJXUJO-IYARVYRRSA-N 2 2 320.440 3.839 20 0 DHADLP C[C@H](CCc1ccco1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110511 1014436074 /nfs/dbraw/zinc/43/60/74/1014436074.db2.gz ODGZNGVBVONGLC-BRWVUGGUSA-N 2 2 313.445 3.772 20 0 DHADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000665250074 1014552211 /nfs/dbraw/zinc/55/22/11/1014552211.db2.gz HJDZOHXPVNUXIA-BHIYHBOVSA-N 2 2 324.493 3.959 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000665249634 1014553540 /nfs/dbraw/zinc/55/35/40/1014553540.db2.gz VGRKYQREJSAVFU-SNVBAGLBSA-N 2 2 318.795 3.864 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CCCS2 ZINC000581349873 1014726803 /nfs/dbraw/zinc/72/68/03/1014726803.db2.gz YCMKTYJYXMPFFI-YOEHRIQHSA-N 2 2 320.502 3.554 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CCCS2 ZINC000581349873 1014726811 /nfs/dbraw/zinc/72/68/11/1014726811.db2.gz YCMKTYJYXMPFFI-YOEHRIQHSA-N 2 2 320.502 3.554 20 0 DHADLP C[C@H](C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000442777639 1014728825 /nfs/dbraw/zinc/72/88/25/1014728825.db2.gz JLMFUPQKITTZTK-XPKDYRNWSA-N 2 2 314.395 3.881 20 0 DHADLP CC[N@H+](C)CC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442781738 1014729722 /nfs/dbraw/zinc/72/97/22/1014729722.db2.gz PWGGKQSLXHCUAX-ZBFHGGJFSA-N 2 2 314.395 3.883 20 0 DHADLP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442781738 1014729728 /nfs/dbraw/zinc/72/97/28/1014729728.db2.gz PWGGKQSLXHCUAX-ZBFHGGJFSA-N 2 2 314.395 3.883 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000581350785 1014730328 /nfs/dbraw/zinc/73/03/28/1014730328.db2.gz NWASPCTUXJSGRC-ISARSNTHSA-N 2 2 304.478 3.615 20 0 DHADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000665298173 1014748826 /nfs/dbraw/zinc/74/88/26/1014748826.db2.gz TUJRVEOPXBHREY-DOMZBBRYSA-N 2 2 308.878 3.883 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456660 1014870325 /nfs/dbraw/zinc/87/03/25/1014870325.db2.gz PCWDASJKDHBGKJ-DOMZBBRYSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456660 1014870341 /nfs/dbraw/zinc/87/03/41/1014870341.db2.gz PCWDASJKDHBGKJ-DOMZBBRYSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456660 1014870354 /nfs/dbraw/zinc/87/03/54/1014870354.db2.gz PCWDASJKDHBGKJ-DOMZBBRYSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000581456660 1014870368 /nfs/dbraw/zinc/87/03/68/1014870368.db2.gz PCWDASJKDHBGKJ-DOMZBBRYSA-N 2 2 321.515 3.644 20 0 DHADLP C[NH+](C)C1(C)CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000931349539 1032105371 /nfs/dbraw/zinc/10/53/71/1032105371.db2.gz YKEXRBMWVWGGLG-UHFFFAOYSA-N 2 2 300.368 3.622 20 0 DHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443651776 1015075423 /nfs/dbraw/zinc/07/54/23/1015075423.db2.gz JSVSOSXXDHZBSH-HZPDHXFCSA-N 2 2 322.880 3.668 20 0 DHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443651776 1015075431 /nfs/dbraw/zinc/07/54/31/1015075431.db2.gz JSVSOSXXDHZBSH-HZPDHXFCSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443651776 1015075440 /nfs/dbraw/zinc/07/54/40/1015075440.db2.gz JSVSOSXXDHZBSH-HZPDHXFCSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443651776 1015075448 /nfs/dbraw/zinc/07/54/48/1015075448.db2.gz JSVSOSXXDHZBSH-HZPDHXFCSA-N 2 2 322.880 3.668 20 0 DHADLP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)s1 ZINC000090400751 1015112240 /nfs/dbraw/zinc/11/22/40/1015112240.db2.gz ZIKIKIPZGABFGF-CQSZACIVSA-N 2 2 303.475 3.624 20 0 DHADLP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)s1 ZINC000090400751 1015112247 /nfs/dbraw/zinc/11/22/47/1015112247.db2.gz ZIKIKIPZGABFGF-CQSZACIVSA-N 2 2 303.475 3.624 20 0 DHADLP C[N@H+](Cc1c(OC(F)F)ccc2ccccc21)CC(C)(C)[NH3+] ZINC000656783338 1015148276 /nfs/dbraw/zinc/14/82/76/1015148276.db2.gz PMIORTRCTCZBDR-UHFFFAOYSA-N 2 2 308.372 3.610 20 0 DHADLP C[N@@H+](Cc1c(OC(F)F)ccc2ccccc21)CC(C)(C)[NH3+] ZINC000656783338 1015148281 /nfs/dbraw/zinc/14/82/81/1015148281.db2.gz PMIORTRCTCZBDR-UHFFFAOYSA-N 2 2 308.372 3.610 20 0 DHADLP CCc1cccc(F)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000474469872 1015376646 /nfs/dbraw/zinc/37/66/46/1015376646.db2.gz NAJWLUWCHFTTHS-UHFFFAOYSA-N 2 2 323.415 3.923 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000399068465 1015464438 /nfs/dbraw/zinc/46/44/38/1015464438.db2.gz NCUBITKSGKGTLN-UGFHNGPFSA-N 2 2 311.267 3.630 20 0 DHADLP c1ccc(NC2CC[NH+](Cc3nccc4ccccc43)CC2)[nH+]c1 ZINC000896198474 1015497552 /nfs/dbraw/zinc/49/75/52/1015497552.db2.gz OHVOVEHJVZEOJY-UHFFFAOYSA-N 2 2 318.424 3.706 20 0 DHADLP C[C@H](CC[NH2+]Cc1ccc(Cl)cn1)[N@H+](C)Cc1ccccc1 ZINC000707456273 1015541599 /nfs/dbraw/zinc/54/15/99/1015541599.db2.gz NZWFFNWLRHDIOT-OAHLLOKOSA-N 2 2 317.864 3.735 20 0 DHADLP C[C@H](CC[NH2+]Cc1ccc(Cl)cn1)[N@@H+](C)Cc1ccccc1 ZINC000707456273 1015541602 /nfs/dbraw/zinc/54/16/02/1015541602.db2.gz NZWFFNWLRHDIOT-OAHLLOKOSA-N 2 2 317.864 3.735 20 0 DHADLP C[C@H]([NH2+]Cc1nc(C[NH+](C)C)cs1)[C@@H]1CC2CCC1CC2 ZINC000896312057 1015546254 /nfs/dbraw/zinc/54/62/54/1015546254.db2.gz ZMEXBMHPDFATJB-USPMSXPRSA-N 2 2 307.507 3.509 20 0 DHADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000474705627 1015555664 /nfs/dbraw/zinc/55/56/64/1015555664.db2.gz FEYVCRWCGULEFZ-NEWSRXKRSA-N 2 2 318.505 3.911 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000341588048 1015559313 /nfs/dbraw/zinc/55/93/13/1015559313.db2.gz PNOZFCYBAFLGOS-HUUCEWRRSA-N 2 2 300.368 3.754 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000341588048 1015559323 /nfs/dbraw/zinc/55/93/23/1015559323.db2.gz PNOZFCYBAFLGOS-HUUCEWRRSA-N 2 2 300.368 3.754 20 0 DHADLP CC(C)[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341908063 1015843561 /nfs/dbraw/zinc/84/35/61/1015843561.db2.gz CJPQBORXGQPDOO-HXUWFJFHSA-N 2 2 316.489 3.540 20 0 DHADLP CC(C)[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341908063 1015843570 /nfs/dbraw/zinc/84/35/70/1015843570.db2.gz CJPQBORXGQPDOO-HXUWFJFHSA-N 2 2 316.489 3.540 20 0 DHADLP CC(C)[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341908063 1015843577 /nfs/dbraw/zinc/84/35/77/1015843577.db2.gz CJPQBORXGQPDOO-HXUWFJFHSA-N 2 2 316.489 3.540 20 0 DHADLP CC(C)[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341908063 1015843585 /nfs/dbraw/zinc/84/35/85/1015843585.db2.gz CJPQBORXGQPDOO-HXUWFJFHSA-N 2 2 316.489 3.540 20 0 DHADLP CS[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000361861302 1032134066 /nfs/dbraw/zinc/13/40/66/1032134066.db2.gz YXFSXWYGTGILJN-SFHVURJKSA-N 2 2 315.486 3.898 20 0 DHADLP CS[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000361861302 1032134069 /nfs/dbraw/zinc/13/40/69/1032134069.db2.gz YXFSXWYGTGILJN-SFHVURJKSA-N 2 2 315.486 3.898 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)C2 ZINC000150975905 1016002472 /nfs/dbraw/zinc/00/24/72/1016002472.db2.gz WBAAKBMGSYTLOD-YPMHNXCESA-N 2 2 307.800 3.650 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1sc(C(C)C)nc1C)C2 ZINC000150967118 1016002821 /nfs/dbraw/zinc/00/28/21/1016002821.db2.gz KBHFSOGBSHLJDS-OCCSQVGLSA-N 2 2 318.490 3.745 20 0 DHADLP CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000151357027 1016036291 /nfs/dbraw/zinc/03/62/91/1016036291.db2.gz UQOURAMVRPIKPU-INIZCTEOSA-N 2 2 323.444 3.560 20 0 DHADLP CCCC[C@H](COC)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151699151 1016136287 /nfs/dbraw/zinc/13/62/87/1016136287.db2.gz GFIYNFDEGHKSKB-NVXWUHKLSA-N 2 2 301.434 3.728 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000277381169 1016260891 /nfs/dbraw/zinc/26/08/91/1016260891.db2.gz YEKQVVYIHNHFQA-UHFFFAOYSA-N 2 2 318.465 3.643 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000277381169 1016260895 /nfs/dbraw/zinc/26/08/95/1016260895.db2.gz YEKQVVYIHNHFQA-UHFFFAOYSA-N 2 2 318.465 3.643 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCn1cc[nH+]c1 ZINC000281349314 1016469469 /nfs/dbraw/zinc/46/94/69/1016469469.db2.gz VGRWUBAOAOLLBR-ZDUSSCGKSA-N 2 2 311.351 3.513 20 0 DHADLP CC[C@H](C)C[N@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001167562291 1016577421 /nfs/dbraw/zinc/57/74/21/1016577421.db2.gz JGKKIMVAOXJQBG-AZUAARDMSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@H](C)C[N@@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001167562291 1016577437 /nfs/dbraw/zinc/57/74/37/1016577437.db2.gz JGKKIMVAOXJQBG-AZUAARDMSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@H](C)C[NH+](CC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001167562291 1016577453 /nfs/dbraw/zinc/57/74/53/1016577453.db2.gz JGKKIMVAOXJQBG-AZUAARDMSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@H](C)C[NH+](CC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001167562291 1016577467 /nfs/dbraw/zinc/57/74/67/1016577467.db2.gz JGKKIMVAOXJQBG-AZUAARDMSA-N 2 2 318.505 3.646 20 0 DHADLP CO[C@H]1CC[N@H+](Cc2cccc(-c3ccccc3C)c2)[C@H](C[NH3+])C1 ZINC000346826731 1016589829 /nfs/dbraw/zinc/58/98/29/1016589829.db2.gz MLYSJQABSAKYMB-PMACEKPBSA-N 2 2 324.468 3.600 20 0 DHADLP CO[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3C)c2)[C@H](C[NH3+])C1 ZINC000346826731 1016589839 /nfs/dbraw/zinc/58/98/39/1016589839.db2.gz MLYSJQABSAKYMB-PMACEKPBSA-N 2 2 324.468 3.600 20 0 DHADLP CC[C@@H]([NH3+])Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000629742305 1016689742 /nfs/dbraw/zinc/68/97/42/1016689742.db2.gz QODKOWUJFVBXJP-HXUWFJFHSA-N 2 2 305.425 3.878 20 0 DHADLP FC1(F)CCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000281839246 1016752835 /nfs/dbraw/zinc/75/28/35/1016752835.db2.gz AMQZTYLXDCXDFC-OAHLLOKOSA-N 2 2 305.372 3.787 20 0 DHADLP FC(F)(F)C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000337607813 1016757721 /nfs/dbraw/zinc/75/77/21/1016757721.db2.gz WEFARXIONLWMQX-JYJNAYRXSA-N 2 2 312.379 3.897 20 0 DHADLP FC(F)(F)C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000337607813 1016757738 /nfs/dbraw/zinc/75/77/38/1016757738.db2.gz WEFARXIONLWMQX-JYJNAYRXSA-N 2 2 312.379 3.897 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185224777 1016769150 /nfs/dbraw/zinc/76/91/50/1016769150.db2.gz OMVDPSJUUDCDHP-CYBMUJFWSA-N 2 2 310.869 3.961 20 0 DHADLP Cc1ccc(C[N@H+](CCn2cc[nH+]c2C)Cc2ccco2)s1 ZINC000342585761 1016803982 /nfs/dbraw/zinc/80/39/82/1016803982.db2.gz SFNGGUNEXRPCML-UHFFFAOYSA-N 2 2 315.442 3.857 20 0 DHADLP Cc1cccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000342609293 1016847448 /nfs/dbraw/zinc/84/74/48/1016847448.db2.gz UZUDUDPEFUJUPG-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000342609293 1016847458 /nfs/dbraw/zinc/84/74/58/1016847458.db2.gz UZUDUDPEFUJUPG-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000342609293 1016847468 /nfs/dbraw/zinc/84/74/68/1016847468.db2.gz UZUDUDPEFUJUPG-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000342609293 1016847476 /nfs/dbraw/zinc/84/74/76/1016847476.db2.gz UZUDUDPEFUJUPG-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP CC1(C)Cc2occc2[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000152762088 1016996609 /nfs/dbraw/zinc/99/66/09/1016996609.db2.gz MWBPKAXFXXCMHA-MRXNPFEDSA-N 2 2 313.445 3.658 20 0 DHADLP FC(F)(F)c1cc(C[NH2+]CCCCn2cc[nH+]c2)cs1 ZINC000623371617 1017003976 /nfs/dbraw/zinc/00/39/76/1017003976.db2.gz LOJCMUMITCHGPJ-UHFFFAOYSA-N 2 2 303.353 3.533 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(Cl)cccc32)CC1(C)C ZINC000623374679 1017007590 /nfs/dbraw/zinc/00/75/90/1017007590.db2.gz KXUAJXYRSUZBHW-WFASDCNBSA-N 2 2 308.853 3.626 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000152808448 1017026617 /nfs/dbraw/zinc/02/66/17/1017026617.db2.gz IQYUAAATKKJVMK-ZDUSSCGKSA-N 2 2 303.837 3.766 20 0 DHADLP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001168057788 1017046169 /nfs/dbraw/zinc/04/61/69/1017046169.db2.gz NTXYTSLHTUMTAA-KWXDATOUSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001168057788 1017046180 /nfs/dbraw/zinc/04/61/80/1017046180.db2.gz NTXYTSLHTUMTAA-KWXDATOUSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001168057788 1017046193 /nfs/dbraw/zinc/04/61/93/1017046193.db2.gz NTXYTSLHTUMTAA-KWXDATOUSA-N 2 2 316.489 3.537 20 0 DHADLP C[C@@H]1C[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)CO1 ZINC001168057788 1017046205 /nfs/dbraw/zinc/04/62/05/1017046205.db2.gz NTXYTSLHTUMTAA-KWXDATOUSA-N 2 2 316.489 3.537 20 0 DHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001146987492 1032263970 /nfs/dbraw/zinc/26/39/70/1032263970.db2.gz UYYSVWLRUHFMFN-STQMWFEESA-N 2 2 314.433 3.833 20 0 DHADLP Fc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282079852 1032335347 /nfs/dbraw/zinc/33/53/47/1032335347.db2.gz NZEZAXFERMAHGC-INIZCTEOSA-N 2 2 313.420 3.738 20 0 DHADLP Fc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282079852 1032335343 /nfs/dbraw/zinc/33/53/43/1032335343.db2.gz NZEZAXFERMAHGC-INIZCTEOSA-N 2 2 313.420 3.738 20 0 DHADLP COc1cccc2c(N(C)CCCn3cc[nH+]c3C)cc(C)[nH+]c12 ZINC000120199999 1032351611 /nfs/dbraw/zinc/35/16/11/1032351611.db2.gz SHMQWOUPJMHMBY-UHFFFAOYSA-N 2 2 324.428 3.583 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003445 1032379693 /nfs/dbraw/zinc/37/96/93/1032379693.db2.gz DTUHHGRIGQQJJL-UONOGXRCSA-N 2 2 319.399 3.714 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003445 1032379708 /nfs/dbraw/zinc/37/97/08/1032379708.db2.gz DTUHHGRIGQQJJL-UONOGXRCSA-N 2 2 319.399 3.714 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(CC(C)C)s2)[C@H](C)C1 ZINC000093639836 1032550129 /nfs/dbraw/zinc/55/01/29/1032550129.db2.gz UCYUYRWABVGICY-ZBFHGGJFSA-N 2 2 309.523 3.504 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(CC(C)C)s2)[C@H](C)C1 ZINC000093639836 1032550133 /nfs/dbraw/zinc/55/01/33/1032550133.db2.gz UCYUYRWABVGICY-ZBFHGGJFSA-N 2 2 309.523 3.504 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(CC(C)C)s2)[C@H](C)C1 ZINC000093639836 1032550135 /nfs/dbraw/zinc/55/01/35/1032550135.db2.gz UCYUYRWABVGICY-ZBFHGGJFSA-N 2 2 309.523 3.504 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(CC(C)C)s2)[C@H](C)C1 ZINC000093639836 1032550137 /nfs/dbraw/zinc/55/01/37/1032550137.db2.gz UCYUYRWABVGICY-ZBFHGGJFSA-N 2 2 309.523 3.504 20 0 DHADLP Cc1ncc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000773084406 1032552426 /nfs/dbraw/zinc/55/24/26/1032552426.db2.gz ZBMYRXGQUBDDEK-ZDUSSCGKSA-N 2 2 312.442 3.531 20 0 DHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167954268 1012131208 /nfs/dbraw/zinc/13/12/08/1012131208.db2.gz BTDIKIQYMTZHOS-VQFNDLOPSA-N 2 2 302.437 3.520 20 0 DHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167954268 1012131223 /nfs/dbraw/zinc/13/12/23/1012131223.db2.gz BTDIKIQYMTZHOS-VQFNDLOPSA-N 2 2 302.437 3.520 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC[NH+]1CCC(C)CC1 ZINC001172853785 1033423074 /nfs/dbraw/zinc/42/30/74/1033423074.db2.gz ATHYQMBOQZGCAQ-AWEZNQCLSA-N 2 2 312.860 3.732 20 0 DHADLP CS[C@H]1CC[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000425375253 1012511612 /nfs/dbraw/zinc/51/16/12/1012511612.db2.gz ZBOKPNAPDIRWIA-HIFRSBDPSA-N 2 2 307.850 3.509 20 0 DHADLP CCC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccn1 ZINC000179461883 1012686976 /nfs/dbraw/zinc/68/69/76/1012686976.db2.gz RJDIVPNVLNQHJJ-LJQANCHMSA-N 2 2 320.440 3.957 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000123632635 1032653155 /nfs/dbraw/zinc/65/31/55/1032653155.db2.gz JUAWNGIFODFVIZ-GDBMZVCRSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccccc3)s2)CC[N@H+]1C ZINC000123632635 1032653164 /nfs/dbraw/zinc/65/31/64/1032653164.db2.gz JUAWNGIFODFVIZ-GDBMZVCRSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)s2)CC[NH+]1C ZINC000123632635 1032653172 /nfs/dbraw/zinc/65/31/72/1032653172.db2.gz JUAWNGIFODFVIZ-GDBMZVCRSA-N 2 2 315.486 3.725 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)s2)CC[NH+]1C ZINC000123632635 1032653180 /nfs/dbraw/zinc/65/31/80/1032653180.db2.gz JUAWNGIFODFVIZ-GDBMZVCRSA-N 2 2 315.486 3.725 20 0 DHADLP [NH3+][C@H](CC(F)F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306726490 1012795857 /nfs/dbraw/zinc/79/58/57/1012795857.db2.gz LYEUYGOFYQTRSL-QGZVFWFLSA-N 2 2 304.384 3.671 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1(C)C ZINC000623559691 1017109741 /nfs/dbraw/zinc/10/97/41/1017109741.db2.gz JVYDXAIIHLQGSF-ZBFHGGJFSA-N 2 2 320.452 3.890 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1(C)C ZINC000623559691 1017109746 /nfs/dbraw/zinc/10/97/46/1017109746.db2.gz JVYDXAIIHLQGSF-ZBFHGGJFSA-N 2 2 320.452 3.890 20 0 DHADLP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000897229495 1017179389 /nfs/dbraw/zinc/17/93/89/1017179389.db2.gz UDLQZDCZGKIOPR-MJGOQNOKSA-N 2 2 308.510 3.602 20 0 DHADLP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000897229495 1017179396 /nfs/dbraw/zinc/17/93/96/1017179396.db2.gz UDLQZDCZGKIOPR-MJGOQNOKSA-N 2 2 308.510 3.602 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564526 1017409161 /nfs/dbraw/zinc/40/91/61/1017409161.db2.gz WDNJOCBAOHGRPN-BAILOTOSSA-N 2 2 316.489 3.699 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564526 1017409171 /nfs/dbraw/zinc/40/91/71/1017409171.db2.gz WDNJOCBAOHGRPN-BAILOTOSSA-N 2 2 316.489 3.699 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564529 1017411549 /nfs/dbraw/zinc/41/15/49/1017411549.db2.gz WDNJOCBAOHGRPN-UIRWJGRMSA-N 2 2 316.489 3.699 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564529 1017411559 /nfs/dbraw/zinc/41/15/59/1017411559.db2.gz WDNJOCBAOHGRPN-UIRWJGRMSA-N 2 2 316.489 3.699 20 0 DHADLP Cc1[nH+]ccn1CCCCN(CC[NH+]1CCCCCC1)C(C)C ZINC000347337109 1017506540 /nfs/dbraw/zinc/50/65/40/1017506540.db2.gz LBRHZXFAYBNBRL-UHFFFAOYSA-N 2 2 320.525 3.558 20 0 DHADLP Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000623860690 1017534555 /nfs/dbraw/zinc/53/45/55/1017534555.db2.gz BPYXQYBJDRKJHS-OLZOCXBDSA-N 2 2 322.250 3.693 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623861077 1017539014 /nfs/dbraw/zinc/53/90/14/1017539014.db2.gz NXOFUCOBZBTQJM-QWRGUYRKSA-N 2 2 315.314 3.780 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000153213189 1017539616 /nfs/dbraw/zinc/53/96/16/1017539616.db2.gz JSNYTHZAGFODIV-WFXMLNOXSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000153213189 1017539657 /nfs/dbraw/zinc/53/96/57/1017539657.db2.gz JSNYTHZAGFODIV-WFXMLNOXSA-N 2 2 323.484 3.951 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000078912929 1017873229 /nfs/dbraw/zinc/87/32/29/1017873229.db2.gz JZGNRHBYQOTFQB-ZDUSSCGKSA-N 2 2 315.804 3.975 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000628183276 1017906038 /nfs/dbraw/zinc/90/60/38/1017906038.db2.gz VUESPBWOXMEMTF-WCQYABFASA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000628183276 1017906053 /nfs/dbraw/zinc/90/60/53/1017906053.db2.gz VUESPBWOXMEMTF-WCQYABFASA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000628183276 1017906065 /nfs/dbraw/zinc/90/60/65/1017906065.db2.gz VUESPBWOXMEMTF-WCQYABFASA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000628183276 1017906077 /nfs/dbraw/zinc/90/60/77/1017906077.db2.gz VUESPBWOXMEMTF-WCQYABFASA-N 2 2 320.424 3.929 20 0 DHADLP Cc1ccccc1C[N@@H+]1CCCN(c2cc[nH+]cc2Cl)CC1 ZINC000674244132 1017908657 /nfs/dbraw/zinc/90/86/57/1017908657.db2.gz FBCWXANGRAAYDC-UHFFFAOYSA-N 2 2 315.848 3.756 20 0 DHADLP Cc1ccccc1C[N@H+]1CCCN(c2cc[nH+]cc2Cl)CC1 ZINC000674244132 1017908667 /nfs/dbraw/zinc/90/86/67/1017908667.db2.gz FBCWXANGRAAYDC-UHFFFAOYSA-N 2 2 315.848 3.756 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000348753260 1017966447 /nfs/dbraw/zinc/96/64/47/1017966447.db2.gz IHOSLHIHFFDDRE-CABCVRRESA-N 2 2 322.412 3.688 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000183032033 1017984328 /nfs/dbraw/zinc/98/43/28/1017984328.db2.gz DJRZFDWLJYZQPH-WWGRRREGSA-N 2 2 318.852 3.666 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000183032033 1017984344 /nfs/dbraw/zinc/98/43/44/1017984344.db2.gz DJRZFDWLJYZQPH-WWGRRREGSA-N 2 2 318.852 3.666 20 0 DHADLP CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)OC ZINC000362975562 1017996327 /nfs/dbraw/zinc/99/63/27/1017996327.db2.gz GAHIWXHRACYQMP-RLFYNMQTSA-N 2 2 301.434 3.584 20 0 DHADLP COCCC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000658096492 1018075086 /nfs/dbraw/zinc/07/50/86/1018075086.db2.gz QLCPDSYPCVLIRD-MSOLQXFVSA-N 2 2 322.468 3.756 20 0 DHADLP COCCC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000658096492 1018075100 /nfs/dbraw/zinc/07/51/00/1018075100.db2.gz QLCPDSYPCVLIRD-MSOLQXFVSA-N 2 2 322.468 3.756 20 0 DHADLP Cc1ccc(-c2cc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)on2)cc1 ZINC000123762965 1018114549 /nfs/dbraw/zinc/11/45/49/1018114549.db2.gz RCICKZJPNUIYCE-NVXWUHKLSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)on2)cc1 ZINC000123762965 1018114555 /nfs/dbraw/zinc/11/45/55/1018114555.db2.gz RCICKZJPNUIYCE-NVXWUHKLSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)on2)cc1 ZINC000123762965 1018114563 /nfs/dbraw/zinc/11/45/63/1018114563.db2.gz RCICKZJPNUIYCE-NVXWUHKLSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)on2)cc1 ZINC000123762965 1018114569 /nfs/dbraw/zinc/11/45/69/1018114569.db2.gz RCICKZJPNUIYCE-NVXWUHKLSA-N 2 2 313.445 3.565 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000343110290 1018186704 /nfs/dbraw/zinc/18/67/04/1018186704.db2.gz STSNBHKPMNSWTQ-KRWDZBQOSA-N 2 2 315.848 3.692 20 0 DHADLP Cc1nsc(C)c1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000575244120 1018490523 /nfs/dbraw/zinc/49/05/23/1018490523.db2.gz WEMYLZCHICMYRC-YOEHRIQHSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nsc(C)c1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000575244120 1018490533 /nfs/dbraw/zinc/49/05/33/1018490533.db2.gz WEMYLZCHICMYRC-YOEHRIQHSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nsc(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000575244120 1018490539 /nfs/dbraw/zinc/49/05/39/1018490539.db2.gz WEMYLZCHICMYRC-YOEHRIQHSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nsc(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000575244120 1018490548 /nfs/dbraw/zinc/49/05/48/1018490548.db2.gz WEMYLZCHICMYRC-YOEHRIQHSA-N 2 2 321.534 3.846 20 0 DHADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000675495614 1018508799 /nfs/dbraw/zinc/50/87/99/1018508799.db2.gz KHNWMANSJPVRMD-QFBILLFUSA-N 2 2 301.478 3.634 20 0 DHADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000675495614 1018508808 /nfs/dbraw/zinc/50/88/08/1018508808.db2.gz KHNWMANSJPVRMD-QFBILLFUSA-N 2 2 301.478 3.634 20 0 DHADLP Cc1nc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000675548463 1018521639 /nfs/dbraw/zinc/52/16/39/1018521639.db2.gz PYEBOSJXTYLHSL-IBGZPJMESA-N 2 2 324.472 3.726 20 0 DHADLP Cc1nc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000675548463 1018521652 /nfs/dbraw/zinc/52/16/52/1018521652.db2.gz PYEBOSJXTYLHSL-IBGZPJMESA-N 2 2 324.472 3.726 20 0 DHADLP CC(C)CCC[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000527360925 1018562079 /nfs/dbraw/zinc/56/20/79/1018562079.db2.gz YIXBCISZHHTKPS-GOSISDBHSA-N 2 2 318.505 3.912 20 0 DHADLP C[C@H](Cc1cccs1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000675739847 1018570024 /nfs/dbraw/zinc/57/00/24/1018570024.db2.gz YNLMLUCAAPFHMR-OAHLLOKOSA-N 2 2 311.454 3.714 20 0 DHADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cncc(F)c1 ZINC000675924687 1018625762 /nfs/dbraw/zinc/62/57/62/1018625762.db2.gz ZXQMFCXYPZVURK-RDTXWAMCSA-N 2 2 324.403 3.589 20 0 DHADLP CC(C)[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000583964613 1018785807 /nfs/dbraw/zinc/78/58/07/1018785807.db2.gz UIUKKIDNKVVMEE-RHSMWYFYSA-N 2 2 303.837 3.907 20 0 DHADLP CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000921518819 1018816158 /nfs/dbraw/zinc/81/61/58/1018816158.db2.gz YFVDJVXVTDIKHQ-QZTJIDSGSA-N 2 2 315.486 3.695 20 0 DHADLP Clc1ccc(SCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000171933844 1018843172 /nfs/dbraw/zinc/84/31/72/1018843172.db2.gz IZXZRZBLZXZJAX-UHFFFAOYSA-N 2 2 321.877 3.966 20 0 DHADLP CC[C@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000316053131 1018865224 /nfs/dbraw/zinc/86/52/24/1018865224.db2.gz OKBMYCOUGBRRSA-IRXDYDNUSA-N 2 2 301.478 3.999 20 0 DHADLP Clc1cccc2c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000672166922 1018981383 /nfs/dbraw/zinc/98/13/83/1018981383.db2.gz OPSSZRLIJZTSEL-OLZOCXBDSA-N 2 2 301.821 3.927 20 0 DHADLP Clc1cccc2c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc[nH+]c12 ZINC000672166922 1018981400 /nfs/dbraw/zinc/98/14/00/1018981400.db2.gz OPSSZRLIJZTSEL-OLZOCXBDSA-N 2 2 301.821 3.927 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1c(C)noc1C ZINC000584160185 1018995174 /nfs/dbraw/zinc/99/51/74/1018995174.db2.gz KXTBQKAUJKGLEA-OKZBNKHCSA-N 2 2 313.445 3.825 20 0 DHADLP CCC(CC)(CNc1cc[nH+]c(C)n1)[NH2+][C@@H](C)c1ccccc1 ZINC000462838743 1019034365 /nfs/dbraw/zinc/03/43/65/1019034365.db2.gz ZQPDFOXNVZHJEV-HNNXBMFYSA-N 2 2 312.461 4.107 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1)CCC2 ZINC000338770646 1019131213 /nfs/dbraw/zinc/13/12/13/1019131213.db2.gz CRMYCAGRYFNSCJ-LULLPPNCSA-N 2 2 309.457 3.851 20 0 DHADLP c1csc(-c2cnc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080974129 1019138709 /nfs/dbraw/zinc/13/87/09/1019138709.db2.gz KQDKSNLZMRXYCP-LBPRGKRZSA-N 2 2 314.414 3.506 20 0 DHADLP c1csc(-c2cnc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080974129 1019138712 /nfs/dbraw/zinc/13/87/12/1019138712.db2.gz KQDKSNLZMRXYCP-LBPRGKRZSA-N 2 2 314.414 3.506 20 0 DHADLP Fc1ccc([C@@H](CC(F)(F)F)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000923376113 1019155750 /nfs/dbraw/zinc/15/57/50/1019155750.db2.gz IICXCLGZDPRTBI-CQSZACIVSA-N 2 2 304.331 3.551 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168697719 1019186787 /nfs/dbraw/zinc/18/67/87/1019186787.db2.gz IZLIAKAXEOMAMP-ZBFHGGJFSA-N 2 2 306.881 3.517 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000081571805 1019210405 /nfs/dbraw/zinc/21/04/05/1019210405.db2.gz PVRKWWQSQNUTIR-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)no2)C1 ZINC000081571805 1019210411 /nfs/dbraw/zinc/21/04/11/1019210411.db2.gz PVRKWWQSQNUTIR-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000081571805 1019210416 /nfs/dbraw/zinc/21/04/16/1019210416.db2.gz PVRKWWQSQNUTIR-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000081571805 1019210422 /nfs/dbraw/zinc/21/04/22/1019210422.db2.gz PVRKWWQSQNUTIR-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000921981300 1019262358 /nfs/dbraw/zinc/26/23/58/1019262358.db2.gz RXPFOVVFKLHXKF-LSDHHAIUSA-N 2 2 321.896 3.786 20 0 DHADLP Cc1cnc(Cl)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000921981300 1019262362 /nfs/dbraw/zinc/26/23/62/1019262362.db2.gz RXPFOVVFKLHXKF-LSDHHAIUSA-N 2 2 321.896 3.786 20 0 DHADLP c1ccc([C@@H]2CCC[C@@H](C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)O2)cc1 ZINC000923531967 1019266684 /nfs/dbraw/zinc/26/66/84/1019266684.db2.gz YCSSNPPODFHVMR-SLFFLAALSA-N 2 2 314.473 3.515 20 0 DHADLP c1ccc([C@@H]2CCC[C@@H](C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)O2)cc1 ZINC000923531967 1019266685 /nfs/dbraw/zinc/26/66/85/1019266685.db2.gz YCSSNPPODFHVMR-SLFFLAALSA-N 2 2 314.473 3.515 20 0 DHADLP Cc1cccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)n1 ZINC001204071181 1032819772 /nfs/dbraw/zinc/81/97/72/1032819772.db2.gz SUGQZSVOBKZOJV-UHFFFAOYSA-N 2 2 301.478 3.619 20 0 DHADLP Cc1cccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)n1 ZINC001204071181 1032819783 /nfs/dbraw/zinc/81/97/83/1032819783.db2.gz SUGQZSVOBKZOJV-UHFFFAOYSA-N 2 2 301.478 3.619 20 0 DHADLP c1cn(Cc2cccc(C[NH2+]Cc3scnc3C3CC3)c2)c[nH+]1 ZINC000486981155 1019357168 /nfs/dbraw/zinc/35/71/68/1019357168.db2.gz QQQDNUFNDATAAJ-UHFFFAOYSA-N 2 2 324.453 3.555 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccnc1 ZINC000091283976 1019456560 /nfs/dbraw/zinc/45/65/60/1019456560.db2.gz LOVVWGLMSVQQFG-FQEVSTJZSA-N 2 2 320.440 3.813 20 0 DHADLP CC(C)c1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000092066221 1019499355 /nfs/dbraw/zinc/49/93/55/1019499355.db2.gz TWKVRBOIYMIVLY-PBHICJAKSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000092066221 1019499362 /nfs/dbraw/zinc/49/93/62/1019499362.db2.gz TWKVRBOIYMIVLY-PBHICJAKSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000092066221 1019499368 /nfs/dbraw/zinc/49/93/68/1019499368.db2.gz TWKVRBOIYMIVLY-PBHICJAKSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000092066221 1019499372 /nfs/dbraw/zinc/49/93/72/1019499372.db2.gz TWKVRBOIYMIVLY-PBHICJAKSA-N 2 2 319.518 3.715 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)[nH]1 ZINC000092073030 1019504791 /nfs/dbraw/zinc/50/47/91/1019504791.db2.gz XBPZUMDIFAFIDL-SFHVURJKSA-N 2 2 318.424 3.851 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)[nH]1 ZINC000092073030 1019504804 /nfs/dbraw/zinc/50/48/04/1019504804.db2.gz XBPZUMDIFAFIDL-SFHVURJKSA-N 2 2 318.424 3.851 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cn1 ZINC000092766293 1019546721 /nfs/dbraw/zinc/54/67/21/1019546721.db2.gz YWYXSGVDCFJDBA-AWEZNQCLSA-N 2 2 305.441 3.668 20 0 DHADLP c1cn(-c2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)c[nH+]1 ZINC000671707633 1019560079 /nfs/dbraw/zinc/56/00/79/1019560079.db2.gz IRAGUBZOTQZWEO-UHFFFAOYSA-N 2 2 303.365 3.908 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657897818 1019894257 /nfs/dbraw/zinc/89/42/57/1019894257.db2.gz WQJLQCPTVOSCQB-IRXDYDNUSA-N 2 2 315.486 3.579 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000360046622 1020049151 /nfs/dbraw/zinc/04/91/51/1020049151.db2.gz QXPPYLMIBHTVCH-FZMZJTMJSA-N 2 2 307.850 3.752 20 0 DHADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000069710356 1020056087 /nfs/dbraw/zinc/05/60/87/1020056087.db2.gz IPVVANCFLGLNPI-UHFFFAOYSA-N 2 2 318.848 3.996 20 0 DHADLP c1ccc(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000731041690 1020059933 /nfs/dbraw/zinc/05/99/33/1020059933.db2.gz PCJJOXHORBFZHJ-HXUWFJFHSA-N 2 2 306.453 3.928 20 0 DHADLP c1ccc(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000731041690 1020059950 /nfs/dbraw/zinc/05/99/50/1020059950.db2.gz PCJJOXHORBFZHJ-HXUWFJFHSA-N 2 2 306.453 3.928 20 0 DHADLP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020870 1020093700 /nfs/dbraw/zinc/09/37/00/1020093700.db2.gz ZXYDVMYJMJXGCA-LSDHHAIUSA-N 2 2 303.837 3.531 20 0 DHADLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccn1 ZINC000658060034 1020110297 /nfs/dbraw/zinc/11/02/97/1020110297.db2.gz CNMUEUALLHGEAS-HZPDHXFCSA-N 2 2 306.413 3.722 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000658090157 1020137609 /nfs/dbraw/zinc/13/76/09/1020137609.db2.gz FDAWZIZHDMTSHX-CVEARBPZSA-N 2 2 320.477 3.617 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(OC)c(OC)c1 ZINC000658090157 1020137611 /nfs/dbraw/zinc/13/76/11/1020137611.db2.gz FDAWZIZHDMTSHX-CVEARBPZSA-N 2 2 320.477 3.617 20 0 DHADLP COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658095309 1020141660 /nfs/dbraw/zinc/14/16/60/1020141660.db2.gz GKHNMIBNNXFJKI-WMLDXEAASA-N 2 2 302.462 3.535 20 0 DHADLP COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658095309 1020141666 /nfs/dbraw/zinc/14/16/66/1020141666.db2.gz GKHNMIBNNXFJKI-WMLDXEAASA-N 2 2 302.462 3.535 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]C/C=C/c1cccc(F)c1)c1cccnc1 ZINC000922631198 1020177955 /nfs/dbraw/zinc/17/79/55/1020177955.db2.gz UFBWAKKJQVODNF-ZLHKHBAESA-N 2 2 313.420 3.517 20 0 DHADLP CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000300644927 1020221643 /nfs/dbraw/zinc/22/16/43/1020221643.db2.gz GFDUNPSMIFNOCP-IAGOWNOFSA-N 2 2 301.459 3.636 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000765799852 1020238397 /nfs/dbraw/zinc/23/83/97/1020238397.db2.gz IXWQDSWIANLVDW-HOTGVXAUSA-N 2 2 304.478 3.999 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000765799852 1020238403 /nfs/dbraw/zinc/23/84/03/1020238403.db2.gz IXWQDSWIANLVDW-HOTGVXAUSA-N 2 2 304.478 3.999 20 0 DHADLP CCCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000658295978 1020286972 /nfs/dbraw/zinc/28/69/72/1020286972.db2.gz WQUFSQNFLHWTSJ-VQTJNVASSA-N 2 2 316.489 3.761 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000347751891 1020302105 /nfs/dbraw/zinc/30/21/05/1020302105.db2.gz QLTKQCJBTAISAY-CVTTXWKISA-N 2 2 309.457 3.921 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000347751891 1020302108 /nfs/dbraw/zinc/30/21/08/1020302108.db2.gz QLTKQCJBTAISAY-CVTTXWKISA-N 2 2 309.457 3.921 20 0 DHADLP C[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)(C)C ZINC000766004843 1020339345 /nfs/dbraw/zinc/33/93/45/1020339345.db2.gz HLGKCGKBFCXBBA-INIZCTEOSA-N 2 2 317.521 3.993 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657897819 1020349017 /nfs/dbraw/zinc/34/90/17/1020349017.db2.gz WQJLQCPTVOSCQB-SJORKVTESA-N 2 2 315.486 3.579 20 0 DHADLP c1cn(-c2cccc(C[NH2+][C@@H]3CCCNc4ccccc43)c2)c[nH+]1 ZINC000347955267 1020465666 /nfs/dbraw/zinc/46/56/66/1020465666.db2.gz LZJWJNWRSLXBRN-HXUWFJFHSA-N 2 2 318.424 3.909 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000525708874 1020518550 /nfs/dbraw/zinc/51/85/50/1020518550.db2.gz NFMZEYVXJRMVBR-HOCLYGCPSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000525708874 1020518559 /nfs/dbraw/zinc/51/85/59/1020518559.db2.gz NFMZEYVXJRMVBR-HOCLYGCPSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625654756 1020643662 /nfs/dbraw/zinc/64/36/62/1020643662.db2.gz QJUVVCWRYOFLMI-HUUCEWRRSA-N 2 2 319.399 3.904 20 0 DHADLP C[C@@H]1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)C1(F)F ZINC000625649714 1020644571 /nfs/dbraw/zinc/64/45/71/1020644571.db2.gz RCDBPECLNHYPPN-ZIAGYGMSSA-N 2 2 305.372 3.595 20 0 DHADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001171959233 1032927116 /nfs/dbraw/zinc/92/71/16/1032927116.db2.gz SUZKJFIIDURQDN-CJNGLKHVSA-N 2 2 314.395 3.709 20 0 DHADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001171959233 1032927129 /nfs/dbraw/zinc/92/71/29/1032927129.db2.gz SUZKJFIIDURQDN-CJNGLKHVSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc2c(c1)CCCO2 ZINC000858533856 1032936250 /nfs/dbraw/zinc/93/62/50/1032936250.db2.gz UOEFQBPFMJSZIF-HNAYVOBHSA-N 2 2 314.473 3.679 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc2c(c1)CCCO2 ZINC000858533856 1032936261 /nfs/dbraw/zinc/93/62/61/1032936261.db2.gz UOEFQBPFMJSZIF-HNAYVOBHSA-N 2 2 314.473 3.679 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414075159 1020849969 /nfs/dbraw/zinc/84/99/69/1020849969.db2.gz XKRSQINLCQFFJH-KGLIPLIRSA-N 2 2 312.442 3.746 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001171966353 1032939669 /nfs/dbraw/zinc/93/96/69/1032939669.db2.gz UXAGVRAGLAGECP-CJNGLKHVSA-N 2 2 314.395 3.710 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001171966353 1032939680 /nfs/dbraw/zinc/93/96/80/1032939680.db2.gz UXAGVRAGLAGECP-CJNGLKHVSA-N 2 2 314.395 3.710 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCC[C@H]2C2CC2)CC1 ZINC000414196445 1020984084 /nfs/dbraw/zinc/98/40/84/1020984084.db2.gz OWOSFWDVPSBXKV-ZBFHGGJFSA-N 2 2 318.427 3.819 20 0 DHADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000766271391 1021031701 /nfs/dbraw/zinc/03/17/01/1021031701.db2.gz FQIJOOXJDOXNLX-BLLLJJGKSA-N 2 2 323.278 3.510 20 0 DHADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000766271391 1021031704 /nfs/dbraw/zinc/03/17/04/1021031704.db2.gz FQIJOOXJDOXNLX-BLLLJJGKSA-N 2 2 323.278 3.510 20 0 DHADLP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ncccc1Cl ZINC000924648661 1032955111 /nfs/dbraw/zinc/95/51/11/1032955111.db2.gz NJMVQZFPRIIALT-BBRMVZONSA-N 2 2 307.869 3.650 20 0 DHADLP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ncccc1Cl ZINC000924648661 1032955116 /nfs/dbraw/zinc/95/51/16/1032955116.db2.gz NJMVQZFPRIIALT-BBRMVZONSA-N 2 2 307.869 3.650 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000337393359 1032961669 /nfs/dbraw/zinc/96/16/69/1032961669.db2.gz OLDJWFVRNQBQIU-SFHVURJKSA-N 2 2 309.457 3.907 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000337393359 1032961690 /nfs/dbraw/zinc/96/16/90/1032961690.db2.gz OLDJWFVRNQBQIU-SFHVURJKSA-N 2 2 309.457 3.907 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000090772329 1021247400 /nfs/dbraw/zinc/24/74/00/1021247400.db2.gz IYULUPQUYCUGAF-CJNGLKHVSA-N 2 2 310.869 3.559 20 0 DHADLP CCOc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000090772329 1021247427 /nfs/dbraw/zinc/24/74/27/1021247427.db2.gz IYULUPQUYCUGAF-CJNGLKHVSA-N 2 2 310.869 3.559 20 0 DHADLP Fc1ccccc1[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCCC1 ZINC000091261955 1021273579 /nfs/dbraw/zinc/27/35/79/1021273579.db2.gz PHZXKDFWXBXEEK-GOSISDBHSA-N 2 2 301.409 3.933 20 0 DHADLP Nc1ccc(CS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000917866610 1021381465 /nfs/dbraw/zinc/38/14/65/1021381465.db2.gz RASCPIGBBGVDPS-QGZVFWFLSA-N 2 2 313.470 3.562 20 0 DHADLP Nc1ccc(CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000917866610 1021381484 /nfs/dbraw/zinc/38/14/84/1021381484.db2.gz RASCPIGBBGVDPS-QGZVFWFLSA-N 2 2 313.470 3.562 20 0 DHADLP Cc1ccsc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337413379 1032976358 /nfs/dbraw/zinc/97/63/58/1032976358.db2.gz YEVGXKVDUPUGEI-OAHLLOKOSA-N 2 2 315.486 3.969 20 0 DHADLP Cc1ccsc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337413379 1032976369 /nfs/dbraw/zinc/97/63/69/1032976369.db2.gz YEVGXKVDUPUGEI-OAHLLOKOSA-N 2 2 315.486 3.969 20 0 DHADLP Cc1ccc2cc(C[NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)[nH]c2c1 ZINC000850060064 1021407685 /nfs/dbraw/zinc/40/76/85/1021407685.db2.gz NJMWRDBFAYMUTC-SFHVURJKSA-N 2 2 310.445 3.877 20 0 DHADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000538094804 1032986435 /nfs/dbraw/zinc/98/64/35/1032986435.db2.gz NFNGPPDXRCVOOU-UHFFFAOYSA-N 2 2 312.379 3.766 20 0 DHADLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000538094804 1032986437 /nfs/dbraw/zinc/98/64/37/1032986437.db2.gz NFNGPPDXRCVOOU-UHFFFAOYSA-N 2 2 312.379 3.766 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850530120 1021581472 /nfs/dbraw/zinc/58/14/72/1021581472.db2.gz VVVDVABYCJRJAH-GKCIPKSASA-N 2 2 319.408 3.701 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000556205086 1021601863 /nfs/dbraw/zinc/60/18/63/1021601863.db2.gz KYZMBMHQKDZARE-CGBFIWBNSA-N 2 2 315.505 3.850 20 0 DHADLP CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000556205086 1021601872 /nfs/dbraw/zinc/60/18/72/1021601872.db2.gz KYZMBMHQKDZARE-CGBFIWBNSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OC2CCCC2)CC[N@@H+]1C ZINC000093643809 1021638722 /nfs/dbraw/zinc/63/87/22/1021638722.db2.gz MFBPBABIDHYULU-AEFFLSMTSA-N 2 2 316.489 3.923 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OC2CCCC2)CC[N@H+]1C ZINC000093643809 1021638728 /nfs/dbraw/zinc/63/87/28/1021638728.db2.gz MFBPBABIDHYULU-AEFFLSMTSA-N 2 2 316.489 3.923 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC2CCCC2)CC[NH+]1C ZINC000093643809 1021638730 /nfs/dbraw/zinc/63/87/30/1021638730.db2.gz MFBPBABIDHYULU-AEFFLSMTSA-N 2 2 316.489 3.923 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC2CCCC2)CC[NH+]1C ZINC000093643809 1021638734 /nfs/dbraw/zinc/63/87/34/1021638734.db2.gz MFBPBABIDHYULU-AEFFLSMTSA-N 2 2 316.489 3.923 20 0 DHADLP Clc1ncccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783029700 1021726072 /nfs/dbraw/zinc/72/60/72/1021726072.db2.gz CFGRBWNBPLOVPN-UHFFFAOYSA-N 2 2 318.852 3.624 20 0 DHADLP ClC1(Cl)C[C@@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783031131 1021734879 /nfs/dbraw/zinc/73/48/79/1021734879.db2.gz OQUHPIDBOWYZDV-CQSZACIVSA-N 2 2 316.276 3.569 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)cc2)c[nH+]1 ZINC000177186923 1021858634 /nfs/dbraw/zinc/85/86/34/1021858634.db2.gz FNOXTWIXWYXGID-ROUUACIJSA-N 2 2 313.470 3.732 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCS[C@H]4CCCC[C@@H]43)cc2)c[nH+]1 ZINC000177186923 1021858655 /nfs/dbraw/zinc/85/86/55/1021858655.db2.gz FNOXTWIXWYXGID-ROUUACIJSA-N 2 2 313.470 3.732 20 0 DHADLP COc1ccsc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278819390 1021870509 /nfs/dbraw/zinc/87/05/09/1021870509.db2.gz ZFIXUWXWGRBJIU-UHFFFAOYSA-N 2 2 318.442 3.504 20 0 DHADLP CCCSC[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000893080136 1021882334 /nfs/dbraw/zinc/88/23/34/1021882334.db2.gz NCSNIQKFFCNLHZ-WBVHZDCISA-N 2 2 317.502 3.825 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000236796609 1021886683 /nfs/dbraw/zinc/88/66/83/1021886683.db2.gz WOSOWINFAKCOQN-FQEVSTJZSA-N 2 2 309.457 3.635 20 0 DHADLP ClC(Cl)=CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000851922013 1022041316 /nfs/dbraw/zinc/04/13/16/1022041316.db2.gz IPTJHQSOOHMIPS-UHFFFAOYSA-N 2 2 302.249 3.694 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC001169107086 1022267002 /nfs/dbraw/zinc/26/70/02/1022267002.db2.gz CDXKWACMQBIQDA-PHZGNYQRSA-N 2 2 313.470 3.525 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC001169107086 1022267010 /nfs/dbraw/zinc/26/70/10/1022267010.db2.gz CDXKWACMQBIQDA-PHZGNYQRSA-N 2 2 313.470 3.525 20 0 DHADLP CC(C)Oc1ccc[nH+]c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169145209 1022276512 /nfs/dbraw/zinc/27/65/12/1022276512.db2.gz CKYVUGWOQIEZBL-RDTXWAMCSA-N 2 2 305.466 3.824 20 0 DHADLP CC1(C)CC[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)OC1 ZINC001169217700 1022305487 /nfs/dbraw/zinc/30/54/87/1022305487.db2.gz PHSHLFAASPUAGE-SFHVURJKSA-N 2 2 319.493 3.581 20 0 DHADLP FC(F)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000274291570 1022560539 /nfs/dbraw/zinc/56/05/39/1022560539.db2.gz PWIMTOWEJSLRII-UHFFFAOYSA-N 2 2 317.383 3.778 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1F)CCC2 ZINC000368593424 1022637452 /nfs/dbraw/zinc/63/74/52/1022637452.db2.gz PPVKSLRCXSYAGS-QWHCGFSZSA-N 2 2 305.372 3.698 20 0 DHADLP CC[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CC1 ZINC000776856894 1022734402 /nfs/dbraw/zinc/73/44/02/1022734402.db2.gz YNELIXQNOVWWAG-LJQANCHMSA-N 2 2 301.478 3.818 20 0 DHADLP CC1(C)CC([NH2+][C@@H]2COCc3cccc(Cl)c32)CC(C)(C)[NH2+]1 ZINC000798179644 1022856584 /nfs/dbraw/zinc/85/65/84/1022856584.db2.gz ILSWIAAZFYNQRJ-OAHLLOKOSA-N 2 2 322.880 3.810 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000364353954 1023076062 /nfs/dbraw/zinc/07/60/62/1023076062.db2.gz NWCDINOLMBZLMF-ROUUACIJSA-N 2 2 319.493 3.585 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000364353954 1023076078 /nfs/dbraw/zinc/07/60/78/1023076078.db2.gz NWCDINOLMBZLMF-ROUUACIJSA-N 2 2 319.493 3.585 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000364360016 1023083392 /nfs/dbraw/zinc/08/33/92/1023083392.db2.gz UXLKNCRQXCWQNV-MSOLQXFVSA-N 2 2 319.493 3.585 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC000364360016 1023083402 /nfs/dbraw/zinc/08/34/02/1023083402.db2.gz UXLKNCRQXCWQNV-MSOLQXFVSA-N 2 2 319.493 3.585 20 0 DHADLP Cc1ccc2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)ccc2n1 ZINC000322763501 1023161808 /nfs/dbraw/zinc/16/18/08/1023161808.db2.gz GXPYRCMRMROYLD-UXHICEINSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1ccc2cc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)ccc2n1 ZINC000322763501 1023161814 /nfs/dbraw/zinc/16/18/14/1023161814.db2.gz GXPYRCMRMROYLD-UXHICEINSA-N 2 2 309.457 3.650 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000769875974 1023240040 /nfs/dbraw/zinc/24/00/40/1023240040.db2.gz RGTCIVGOAQXBEI-ZNMIVQPWSA-N 2 2 307.482 3.564 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000769875974 1023240046 /nfs/dbraw/zinc/24/00/46/1023240046.db2.gz RGTCIVGOAQXBEI-ZNMIVQPWSA-N 2 2 307.482 3.564 20 0 DHADLP CC[C@@H](C)OCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172348316 1033130807 /nfs/dbraw/zinc/13/08/07/1033130807.db2.gz PNIWFOALGSEEBE-DLBZAZTESA-N 2 2 315.461 3.898 20 0 DHADLP CC[C@@H](C)OCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172348316 1033130819 /nfs/dbraw/zinc/13/08/19/1033130819.db2.gz PNIWFOALGSEEBE-DLBZAZTESA-N 2 2 315.461 3.898 20 0 DHADLP c1cn(CCCC2CC[NH+](Cc3cc4cnccc4o3)CC2)c[nH+]1 ZINC000651808785 1023560615 /nfs/dbraw/zinc/56/06/15/1023560615.db2.gz FEUJNQWKQXGSIT-UHFFFAOYSA-N 2 2 324.428 3.717 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)cn1 ZINC000651813903 1023566682 /nfs/dbraw/zinc/56/66/82/1023566682.db2.gz CHGYDWQJRFZEST-PBHICJAKSA-N 2 2 318.424 3.680 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC001172363973 1033141713 /nfs/dbraw/zinc/14/17/13/1033141713.db2.gz SVUAVBKACDZRFA-JFIYKMOQSA-N 2 2 301.478 3.712 20 0 DHADLP CC(C)C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000652199736 1023700610 /nfs/dbraw/zinc/70/06/10/1023700610.db2.gz AUMJGTOAGBPAGS-DOTOQJQBSA-N 2 2 301.409 3.783 20 0 DHADLP COc1c(C)cc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC000796692295 1023798918 /nfs/dbraw/zinc/79/89/18/1023798918.db2.gz DFAJJQHWRIRPLE-OLZOCXBDSA-N 2 2 307.825 3.593 20 0 DHADLP c1ccc(C[N@H+]2CCCCC[C@@H]([NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000709621397 1023831339 /nfs/dbraw/zinc/83/13/39/1023831339.db2.gz TYNBXMPECJHALN-WOJBJXKFSA-N 2 2 314.473 3.714 20 0 DHADLP c1ccc(C[N@@H+]2CCCCC[C@@H]([NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000709621397 1023831345 /nfs/dbraw/zinc/83/13/45/1023831345.db2.gz TYNBXMPECJHALN-WOJBJXKFSA-N 2 2 314.473 3.714 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cc[nH]c(=O)c1 ZINC000788602297 1023911802 /nfs/dbraw/zinc/91/18/02/1023911802.db2.gz AUVGQDLEUCTFAQ-CABCVRRESA-N 2 2 313.445 3.567 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194416075 1024002536 /nfs/dbraw/zinc/00/25/36/1024002536.db2.gz AISOTRSFHZDNIG-CQSZACIVSA-N 2 2 319.474 3.567 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000194416075 1024002552 /nfs/dbraw/zinc/00/25/52/1024002552.db2.gz AISOTRSFHZDNIG-CQSZACIVSA-N 2 2 319.474 3.567 20 0 DHADLP FC(F)(F)c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150810860 1024081735 /nfs/dbraw/zinc/08/17/35/1024081735.db2.gz ZVRVAROKPYTVHJ-OAHLLOKOSA-N 2 2 312.379 3.623 20 0 DHADLP FC(F)(F)c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150810860 1024081755 /nfs/dbraw/zinc/08/17/55/1024081755.db2.gz ZVRVAROKPYTVHJ-OAHLLOKOSA-N 2 2 312.379 3.623 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000538800250 1033186255 /nfs/dbraw/zinc/18/62/55/1033186255.db2.gz ZCIZCBULKCZNHI-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000538800250 1033186264 /nfs/dbraw/zinc/18/62/64/1033186264.db2.gz ZCIZCBULKCZNHI-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000538800250 1033186269 /nfs/dbraw/zinc/18/62/69/1033186269.db2.gz ZCIZCBULKCZNHI-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@@H]21 ZINC000538800250 1033186277 /nfs/dbraw/zinc/18/62/77/1033186277.db2.gz ZCIZCBULKCZNHI-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@H]2CCC=CO2)CCCC1)c1ccccc1 ZINC000789743438 1024161527 /nfs/dbraw/zinc/16/15/27/1024161527.db2.gz ANLNRCNNOFJEAU-IEBWSBKVSA-N 2 2 314.473 3.932 20 0 DHADLP Fc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347801 1024181838 /nfs/dbraw/zinc/18/18/38/1024181838.db2.gz VXQMNZGVXYZDDF-CQSZACIVSA-N 2 2 310.844 3.691 20 0 DHADLP Fc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347801 1024181842 /nfs/dbraw/zinc/18/18/42/1024181842.db2.gz VXQMNZGVXYZDDF-CQSZACIVSA-N 2 2 310.844 3.691 20 0 DHADLP Cc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000269159842 1024249224 /nfs/dbraw/zinc/24/92/24/1024249224.db2.gz UCZZEHBXHRBYQQ-UHFFFAOYSA-N 2 2 324.472 3.533 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883190703 1024279030 /nfs/dbraw/zinc/27/90/30/1024279030.db2.gz KFNCUUMAINQFSQ-LMMKCTJWSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883190703 1024279040 /nfs/dbraw/zinc/27/90/40/1024279040.db2.gz KFNCUUMAINQFSQ-LMMKCTJWSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883190702 1024280646 /nfs/dbraw/zinc/28/06/46/1024280646.db2.gz KFNCUUMAINQFSQ-AOIWGVFYSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883190702 1024280661 /nfs/dbraw/zinc/28/06/61/1024280661.db2.gz KFNCUUMAINQFSQ-AOIWGVFYSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000883207161 1024286365 /nfs/dbraw/zinc/28/63/65/1024286365.db2.gz HHUDRBMIGWCMRD-LPHOPBHVSA-N 2 2 313.489 3.919 20 0 DHADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccncc1 ZINC000453068539 1024298571 /nfs/dbraw/zinc/29/85/71/1024298571.db2.gz BDDAZQQJCLCNNC-IBGZPJMESA-N 2 2 306.413 3.567 20 0 DHADLP c1coc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453059518 1024310376 /nfs/dbraw/zinc/31/03/76/1024310376.db2.gz QLGDIEDVHYJMTM-SLFFLAALSA-N 2 2 310.441 3.812 20 0 DHADLP c1coc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453059518 1024310393 /nfs/dbraw/zinc/31/03/93/1024310393.db2.gz QLGDIEDVHYJMTM-SLFFLAALSA-N 2 2 310.441 3.812 20 0 DHADLP COc1ccc(C2CC2)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000883265249 1024337406 /nfs/dbraw/zinc/33/74/06/1024337406.db2.gz WIRYJXXWFBLIRM-UHFFFAOYSA-N 2 2 314.473 3.537 20 0 DHADLP CC(C)Oc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000883267171 1024339859 /nfs/dbraw/zinc/33/98/59/1024339859.db2.gz VQGCQSWSIZQGSX-ALOPSCKCSA-N 2 2 322.880 3.842 20 0 DHADLP CC(C)Oc1cc(Cl)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000883267171 1024339873 /nfs/dbraw/zinc/33/98/73/1024339873.db2.gz VQGCQSWSIZQGSX-ALOPSCKCSA-N 2 2 322.880 3.842 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000453179584 1024371880 /nfs/dbraw/zinc/37/18/80/1024371880.db2.gz UWFGRIXVKDFXDC-UZLBHIALSA-N 2 2 324.472 3.743 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1Cl ZINC000663465735 1024401266 /nfs/dbraw/zinc/40/12/66/1024401266.db2.gz KZVDLNPOCFJFKM-HIFRSBDPSA-N 2 2 307.869 3.508 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccncc1Cl ZINC000663465735 1024401274 /nfs/dbraw/zinc/40/12/74/1024401274.db2.gz KZVDLNPOCFJFKM-HIFRSBDPSA-N 2 2 307.869 3.508 20 0 DHADLP c1cn(C[C@@H]([NH2+][C@@H]2CCCc3cccnc32)c2ccccc2)c[nH+]1 ZINC000883388426 1024422363 /nfs/dbraw/zinc/42/23/63/1024422363.db2.gz VDYUAWAUQFIWPN-RTBURBONSA-N 2 2 318.424 3.687 20 0 DHADLP c1cn(C[C@H]([NH2+][C@H]2CCCc3cccnc32)c2ccccc2)c[nH+]1 ZINC000883388424 1024422990 /nfs/dbraw/zinc/42/29/90/1024422990.db2.gz VDYUAWAUQFIWPN-OALUTQOASA-N 2 2 318.424 3.687 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271542518 1024535255 /nfs/dbraw/zinc/53/52/55/1024535255.db2.gz LUJPBBMKMLAPSV-GOSISDBHSA-N 2 2 323.484 3.748 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000271590256 1024545244 /nfs/dbraw/zinc/54/52/44/1024545244.db2.gz TUGFCXRMFZSQTB-CVEARBPZSA-N 2 2 306.413 3.988 20 0 DHADLP c1cn(Cc2cccc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)c2)c[nH+]1 ZINC000348247323 1024560185 /nfs/dbraw/zinc/56/01/85/1024560185.db2.gz QXWAZSUNXMRYFH-SFTDATJTSA-N 2 2 317.436 3.825 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(CCC(C)C)n1 ZINC000348254792 1024601282 /nfs/dbraw/zinc/60/12/82/1024601282.db2.gz GAMOZSMQVOLMFR-UHFFFAOYSA-N 2 2 320.506 3.759 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(CCC(C)C)n1 ZINC000348254792 1024601286 /nfs/dbraw/zinc/60/12/86/1024601286.db2.gz GAMOZSMQVOLMFR-UHFFFAOYSA-N 2 2 320.506 3.759 20 0 DHADLP Clc1cnc2oc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc2c1 ZINC000648436412 1024637973 /nfs/dbraw/zinc/63/79/73/1024637973.db2.gz MVNYHVAQVQVRHN-UHFFFAOYSA-N 2 2 319.836 3.588 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(C2CCCC2)s1 ZINC000349346880 1024706164 /nfs/dbraw/zinc/70/61/64/1024706164.db2.gz LGZZNTVSZUSWGU-UHFFFAOYSA-N 2 2 304.463 3.519 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(C2CCCC2)s1 ZINC000349346880 1024706173 /nfs/dbraw/zinc/70/61/73/1024706173.db2.gz LGZZNTVSZUSWGU-UHFFFAOYSA-N 2 2 304.463 3.519 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2cccs2)s1 ZINC000349410979 1024715383 /nfs/dbraw/zinc/71/53/83/1024715383.db2.gz VPOWGGKZIOPCAS-UHFFFAOYSA-N 2 2 309.504 3.645 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2cccs2)s1 ZINC000349410979 1024715391 /nfs/dbraw/zinc/71/53/91/1024715391.db2.gz VPOWGGKZIOPCAS-UHFFFAOYSA-N 2 2 309.504 3.645 20 0 DHADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349606796 1024732744 /nfs/dbraw/zinc/73/27/44/1024732744.db2.gz BVOFUVUNOLXAOX-UHFFFAOYSA-N 2 2 309.866 3.538 20 0 DHADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349606796 1024732752 /nfs/dbraw/zinc/73/27/52/1024732752.db2.gz BVOFUVUNOLXAOX-UHFFFAOYSA-N 2 2 309.866 3.538 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000162851947 1024909307 /nfs/dbraw/zinc/90/93/07/1024909307.db2.gz YWYDBNUGLNGPHK-ZDUSSCGKSA-N 2 2 305.372 3.903 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)CS1 ZINC000877130832 1033249600 /nfs/dbraw/zinc/24/96/00/1033249600.db2.gz OPTNEJUPVXNVJI-GDBMZVCRSA-N 2 2 319.518 3.523 20 0 DHADLP C[C@@H]1CC[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000793346105 1024984116 /nfs/dbraw/zinc/98/41/16/1024984116.db2.gz BKNMRTHIGBZEPR-SJORKVTESA-N 2 2 315.505 3.747 20 0 DHADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172557079 1033252920 /nfs/dbraw/zinc/25/29/20/1033252920.db2.gz PBPPFVZGLKWEGT-NRSPTQNISA-N 2 2 306.453 3.708 20 0 DHADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172557079 1033252932 /nfs/dbraw/zinc/25/29/32/1033252932.db2.gz PBPPFVZGLKWEGT-NRSPTQNISA-N 2 2 306.453 3.708 20 0 DHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(F)(F)CC1 ZINC000793351696 1025022649 /nfs/dbraw/zinc/02/26/49/1025022649.db2.gz GBCHTKIZIXETDM-UHFFFAOYSA-N 2 2 310.432 3.876 20 0 DHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(F)(F)CC1 ZINC000793351696 1025022660 /nfs/dbraw/zinc/02/26/60/1025022660.db2.gz GBCHTKIZIXETDM-UHFFFAOYSA-N 2 2 310.432 3.876 20 0 DHADLP FCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000353437963 1025065715 /nfs/dbraw/zinc/06/57/15/1025065715.db2.gz SWGXBFAEQCWSPA-ZWKOTPCHSA-N 2 2 301.409 3.549 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000793519865 1025072645 /nfs/dbraw/zinc/07/26/45/1025072645.db2.gz DKCUGIPKYBYSBK-XNFNUYLZSA-N 2 2 316.489 3.651 20 0 DHADLP CC(C)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cn1 ZINC000353539675 1025116663 /nfs/dbraw/zinc/11/66/63/1025116663.db2.gz ZJULSYMGAGTHPI-GOSISDBHSA-N 2 2 316.424 3.795 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000353559053 1025130980 /nfs/dbraw/zinc/13/09/80/1025130980.db2.gz KNDLCPGHNDKTIQ-DNVCBOLYSA-N 2 2 322.456 3.677 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cc(C2CC2)cc[nH+]1 ZINC000353559053 1025130982 /nfs/dbraw/zinc/13/09/82/1025130982.db2.gz KNDLCPGHNDKTIQ-DNVCBOLYSA-N 2 2 322.456 3.677 20 0 DHADLP Fc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1F ZINC000635011289 1025169883 /nfs/dbraw/zinc/16/98/83/1025169883.db2.gz YRPUHWPVHSWUNC-WBVHZDCISA-N 2 2 302.368 3.548 20 0 DHADLP Fc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1F ZINC000635011287 1025170561 /nfs/dbraw/zinc/17/05/61/1025170561.db2.gz YRPUHWPVHSWUNC-NVXWUHKLSA-N 2 2 302.368 3.548 20 0 DHADLP C[C@@H]1CC[C@@H](C)C1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000777130860 1033266505 /nfs/dbraw/zinc/26/65/05/1033266505.db2.gz XDKAUUNRPGKHCO-HZPDHXFCSA-N 2 2 315.505 3.746 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCC3)s2)C[C@H]1C ZINC000353748787 1025233723 /nfs/dbraw/zinc/23/37/23/1025233723.db2.gz JBRWQCMRQMPNND-HIFRSBDPSA-N 2 2 307.507 3.715 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCC3)s2)C[C@H]1C ZINC000353748787 1025233734 /nfs/dbraw/zinc/23/37/34/1025233734.db2.gz JBRWQCMRQMPNND-HIFRSBDPSA-N 2 2 307.507 3.715 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CCC3)s2)C[C@H]1C ZINC000353748787 1025233744 /nfs/dbraw/zinc/23/37/44/1025233744.db2.gz JBRWQCMRQMPNND-HIFRSBDPSA-N 2 2 307.507 3.715 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)C[C@H]1C ZINC000353748787 1025233752 /nfs/dbraw/zinc/23/37/52/1025233752.db2.gz JBRWQCMRQMPNND-HIFRSBDPSA-N 2 2 307.507 3.715 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCC3)s2)[C@@H](C)C1 ZINC000353756988 1025237839 /nfs/dbraw/zinc/23/78/39/1025237839.db2.gz XQDRYVGBZKUULY-BBRMVZONSA-N 2 2 307.507 3.573 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C3CCC3)s2)[C@@H](C)C1 ZINC000353756988 1025237848 /nfs/dbraw/zinc/23/78/48/1025237848.db2.gz XQDRYVGBZKUULY-BBRMVZONSA-N 2 2 307.507 3.573 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C3CCC3)s2)[C@@H](C)C1 ZINC000353756988 1025237858 /nfs/dbraw/zinc/23/78/58/1025237858.db2.gz XQDRYVGBZKUULY-BBRMVZONSA-N 2 2 307.507 3.573 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)[C@@H](C)C1 ZINC000353756988 1025237865 /nfs/dbraw/zinc/23/78/65/1025237865.db2.gz XQDRYVGBZKUULY-BBRMVZONSA-N 2 2 307.507 3.573 20 0 DHADLP CC1CCC([N@@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001168214977 1025327163 /nfs/dbraw/zinc/32/71/63/1025327163.db2.gz JVZKKOFFDVNCRK-MNAZLIDISA-N 2 2 319.518 3.618 20 0 DHADLP CC1CCC([N@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001168214977 1025327176 /nfs/dbraw/zinc/32/71/76/1025327176.db2.gz JVZKKOFFDVNCRK-MNAZLIDISA-N 2 2 319.518 3.618 20 0 DHADLP CC1CCC([NH+]2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001168214977 1025327188 /nfs/dbraw/zinc/32/71/88/1025327188.db2.gz JVZKKOFFDVNCRK-MNAZLIDISA-N 2 2 319.518 3.618 20 0 DHADLP CC1CCC([NH+]2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001168214977 1025327204 /nfs/dbraw/zinc/32/72/04/1025327204.db2.gz JVZKKOFFDVNCRK-MNAZLIDISA-N 2 2 319.518 3.618 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cscc2C(F)(F)F)CC[N@@H+]1C ZINC000356128207 1025336894 /nfs/dbraw/zinc/33/68/94/1025336894.db2.gz YLBWDRTYHGNCPT-PWSUYJOCSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cscc2C(F)(F)F)CC[N@H+]1C ZINC000356128207 1025336908 /nfs/dbraw/zinc/33/69/08/1025336908.db2.gz YLBWDRTYHGNCPT-PWSUYJOCSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cscc2C(F)(F)F)CC[NH+]1C ZINC000356128207 1025336921 /nfs/dbraw/zinc/33/69/21/1025336921.db2.gz YLBWDRTYHGNCPT-PWSUYJOCSA-N 2 2 306.397 3.681 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cscc2C(F)(F)F)CC[NH+]1C ZINC000356128207 1025336931 /nfs/dbraw/zinc/33/69/31/1025336931.db2.gz YLBWDRTYHGNCPT-PWSUYJOCSA-N 2 2 306.397 3.681 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC000354207263 1025382681 /nfs/dbraw/zinc/38/26/81/1025382681.db2.gz LPGOLHAEUDQLDV-WBVHZDCISA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC000354207263 1025382692 /nfs/dbraw/zinc/38/26/92/1025382692.db2.gz LPGOLHAEUDQLDV-WBVHZDCISA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC000354207263 1025382707 /nfs/dbraw/zinc/38/27/07/1025382707.db2.gz LPGOLHAEUDQLDV-WBVHZDCISA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC000354207263 1025382719 /nfs/dbraw/zinc/38/27/19/1025382719.db2.gz LPGOLHAEUDQLDV-WBVHZDCISA-N 2 2 313.445 3.646 20 0 DHADLP COc1ccc2c(NCCCc3cccc(C)[nH+]3)cc[nH+]c2c1 ZINC000804774364 1025461516 /nfs/dbraw/zinc/46/15/16/1025461516.db2.gz JLVDICOGUVOEDK-UHFFFAOYSA-N 2 2 307.397 3.992 20 0 DHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCc3cccnc32)CC1 ZINC000886528247 1025678590 /nfs/dbraw/zinc/67/85/90/1025678590.db2.gz JDWPBZHBJLTGKP-JXFKEZNVSA-N 2 2 321.468 3.884 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3cnc(Cl)c(F)c3)CC2)[nH+]c1C ZINC000886661081 1025768455 /nfs/dbraw/zinc/76/84/55/1025768455.db2.gz LXLNGMWGOXQEOC-UHFFFAOYSA-N 2 2 322.815 3.594 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3cnc(Cl)s3)CC2)[nH+]c1C ZINC000886664232 1025770595 /nfs/dbraw/zinc/77/05/95/1025770595.db2.gz GPENBQDZVBVLRU-UHFFFAOYSA-N 2 2 310.854 3.516 20 0 DHADLP CCC1(CC)CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655759933 1025771917 /nfs/dbraw/zinc/77/19/17/1025771917.db2.gz IJADYVMYGZKEQP-SFHVURJKSA-N 2 2 308.510 3.578 20 0 DHADLP c1cc2c(cccc2C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)[nH]1 ZINC000355704672 1025816412 /nfs/dbraw/zinc/81/64/12/1025816412.db2.gz ZGJXMTWJWWMCPQ-UHFFFAOYSA-N 2 2 302.381 3.643 20 0 DHADLP Cc1cc(N2CCC([N@H+](C)C/C=C/Cl)CC2)nc(C(C)C)[nH+]1 ZINC000135272174 1025838019 /nfs/dbraw/zinc/83/80/19/1025838019.db2.gz GLWIDLJPTZBGRX-VMPITWQZSA-N 2 2 322.884 3.562 20 0 DHADLP Cc1cc(N2CCC([N@@H+](C)C/C=C/Cl)CC2)nc(C(C)C)[nH+]1 ZINC000135272174 1025838042 /nfs/dbraw/zinc/83/80/42/1025838042.db2.gz GLWIDLJPTZBGRX-VMPITWQZSA-N 2 2 322.884 3.562 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cscc3C(F)(F)F)CC[C@H]21 ZINC000356129156 1025957378 /nfs/dbraw/zinc/95/73/78/1025957378.db2.gz RGKCNTWYJACUTA-BXUZGUMPSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cscc3C(F)(F)F)CC[C@H]21 ZINC000356129156 1025957391 /nfs/dbraw/zinc/95/73/91/1025957391.db2.gz RGKCNTWYJACUTA-BXUZGUMPSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cscc3C(F)(F)F)CC[C@H]21 ZINC000356129156 1025957407 /nfs/dbraw/zinc/95/74/07/1025957407.db2.gz RGKCNTWYJACUTA-BXUZGUMPSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cscc3C(F)(F)F)CC[C@H]21 ZINC000356129156 1025957420 /nfs/dbraw/zinc/95/74/20/1025957420.db2.gz RGKCNTWYJACUTA-BXUZGUMPSA-N 2 2 318.408 3.683 20 0 DHADLP Cc1ncccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245702904 1026136108 /nfs/dbraw/zinc/13/61/08/1026136108.db2.gz DMDTWDRBCBWJSI-UWJYYQICSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245702904 1026136115 /nfs/dbraw/zinc/13/61/15/1026136115.db2.gz DMDTWDRBCBWJSI-UWJYYQICSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245702904 1026136123 /nfs/dbraw/zinc/13/61/23/1026136123.db2.gz DMDTWDRBCBWJSI-UWJYYQICSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ncccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245702904 1026136128 /nfs/dbraw/zinc/13/61/28/1026136128.db2.gz DMDTWDRBCBWJSI-UWJYYQICSA-N 2 2 323.484 3.875 20 0 DHADLP c1[nH+]c2c(n1CCCCCn1c[nH+]c3c1CCCC3)CCCC2 ZINC000296756272 1026451588 /nfs/dbraw/zinc/45/15/88/1026451588.db2.gz PBQZGGAMVGMJMK-UHFFFAOYSA-N 2 2 312.461 3.708 20 0 DHADLP CCc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000513479851 1026520973 /nfs/dbraw/zinc/52/09/73/1026520973.db2.gz SESWVYAXUXCSPO-UHFFFAOYSA-N 2 2 312.457 3.938 20 0 DHADLP CCc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000513479851 1026520979 /nfs/dbraw/zinc/52/09/79/1026520979.db2.gz SESWVYAXUXCSPO-UHFFFAOYSA-N 2 2 312.457 3.938 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)CC[N@@H+]1C ZINC000280191906 1026606941 /nfs/dbraw/zinc/60/69/41/1026606941.db2.gz UXWUPHDTRFFMMI-CJNGLKHVSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)CC[N@H+]1C ZINC000280191906 1026606944 /nfs/dbraw/zinc/60/69/44/1026606944.db2.gz UXWUPHDTRFFMMI-CJNGLKHVSA-N 2 2 302.393 3.658 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421816545 1027064586 /nfs/dbraw/zinc/06/45/86/1027064586.db2.gz QALSHPRUFKGFLL-GOSISDBHSA-N 2 2 308.441 3.605 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@H]1CCc1ccccc1)C2 ZINC000571572736 1027135158 /nfs/dbraw/zinc/13/51/58/1027135158.db2.gz GWFTUKOFXJTBSM-BZSNNMDCSA-N 2 2 309.457 3.658 20 0 DHADLP Fc1cccc(C2CC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)c1 ZINC000571968719 1027160796 /nfs/dbraw/zinc/16/07/96/1027160796.db2.gz DSXOVXRALDFPKE-GXOAENINSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1cccc(C2CC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)c1 ZINC000571968719 1027160806 /nfs/dbraw/zinc/16/08/06/1027160806.db2.gz DSXOVXRALDFPKE-GXOAENINSA-N 2 2 302.437 3.678 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2C2CC2)c[nH+]1 ZINC000561987461 1027163771 /nfs/dbraw/zinc/16/37/71/1027163771.db2.gz IOMPQKTXWWLUEN-VQTJNVASSA-N 2 2 309.457 3.990 20 0 DHADLP COc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c(F)cn1 ZINC000562019715 1027183231 /nfs/dbraw/zinc/18/32/31/1027183231.db2.gz PDPNCSWATSEJSA-CQSZACIVSA-N 2 2 323.456 3.535 20 0 DHADLP COc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c(F)cn1 ZINC000562019715 1027183239 /nfs/dbraw/zinc/18/32/39/1027183239.db2.gz PDPNCSWATSEJSA-CQSZACIVSA-N 2 2 323.456 3.535 20 0 DHADLP Cc1cnc(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC000572757803 1027226824 /nfs/dbraw/zinc/22/68/24/1027226824.db2.gz VUBNHWFSDISSHO-QGZVFWFLSA-N 2 2 320.440 3.777 20 0 DHADLP CC(C)COc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422730749 1027300224 /nfs/dbraw/zinc/30/02/24/1027300224.db2.gz FPYCFCNDRFTOBM-RBUKOAKNSA-N 2 2 310.441 3.956 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000573657058 1027317086 /nfs/dbraw/zinc/31/70/86/1027317086.db2.gz WBCFJYGZZOVNTF-UONOGXRCSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000573657058 1027317106 /nfs/dbraw/zinc/31/71/06/1027317106.db2.gz WBCFJYGZZOVNTF-UONOGXRCSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1COCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422867709 1027343462 /nfs/dbraw/zinc/34/34/62/1027343462.db2.gz SZLJHLGOSXNPCI-UTKZUKDTSA-N 2 2 324.468 3.634 20 0 DHADLP Cc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])ccc1[NH+](C)C ZINC001170685839 1027382997 /nfs/dbraw/zinc/38/29/97/1027382997.db2.gz GVIBOGKXNGVWON-HNNXBMFYSA-N 2 2 320.440 3.933 20 0 DHADLP CCCCCn1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(C)n1 ZINC000423024345 1027395844 /nfs/dbraw/zinc/39/58/44/1027395844.db2.gz LNGNIMOAJYFXTF-RTBURBONSA-N 2 2 312.461 3.616 20 0 DHADLP C[C@H]([NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423100327 1027417982 /nfs/dbraw/zinc/41/79/82/1027417982.db2.gz GQOKNASULIPGTB-MORSLUCNSA-N 2 2 322.880 3.538 20 0 DHADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423133256 1027432315 /nfs/dbraw/zinc/43/23/15/1027432315.db2.gz PYLDAHXDEZNNFW-XJKCOSOUSA-N 2 2 324.415 3.689 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)c2ccccc21 ZINC000423140145 1027435446 /nfs/dbraw/zinc/43/54/46/1027435446.db2.gz XMLXLGDZHNUSBO-GJZGRUSLSA-N 2 2 322.330 3.662 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423190011 1027448068 /nfs/dbraw/zinc/44/80/68/1027448068.db2.gz NDDRGBUGQMNWGX-WFASDCNBSA-N 2 2 301.459 3.521 20 0 DHADLP CCOc1ccc([C@@H]([NH2+]CCC[NH3+])c2ccccc2Cl)cc1 ZINC000423194792 1027453130 /nfs/dbraw/zinc/45/31/30/1027453130.db2.gz RQEMPMKJUZGXDD-GOSISDBHSA-N 2 2 318.848 3.767 20 0 DHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423234860 1027456059 /nfs/dbraw/zinc/45/60/59/1027456059.db2.gz MJDBJVZEJPENMM-CZUORRHYSA-N 2 2 315.486 3.830 20 0 DHADLP COCC1CCC([NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000423239395 1027460251 /nfs/dbraw/zinc/46/02/51/1027460251.db2.gz JYVOCOATWTXOHM-PPSBMQLTSA-N 2 2 304.478 3.605 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(OCc2ccccc2)c1 ZINC000423240395 1027461418 /nfs/dbraw/zinc/46/14/18/1027461418.db2.gz TUUTVLKVFDEUFG-LPHOPBHVSA-N 2 2 310.441 3.668 20 0 DHADLP C[C@H]([NH3+])CC[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000423222792 1027465212 /nfs/dbraw/zinc/46/52/12/1027465212.db2.gz CPADAMOXHBAFHU-YVEFUNNKSA-N 2 2 306.812 3.895 20 0 DHADLP CC(C)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000423232398 1027467385 /nfs/dbraw/zinc/46/73/85/1027467385.db2.gz CCRIXEUHNGTECD-MSOLQXFVSA-N 2 2 304.384 3.952 20 0 DHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCCO2 ZINC000423232947 1027468604 /nfs/dbraw/zinc/46/86/04/1027468604.db2.gz CVAAKEGKJZMBEE-RBUKOAKNSA-N 2 2 310.441 3.807 20 0 DHADLP CC(C)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000423232401 1027469260 /nfs/dbraw/zinc/46/92/60/1027469260.db2.gz CCRIXEUHNGTECD-ZWKOTPCHSA-N 2 2 304.384 3.952 20 0 DHADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cccs1 ZINC000423361451 1027521465 /nfs/dbraw/zinc/52/14/65/1027521465.db2.gz GUVVVECNEQQYDL-RBOXIYTFSA-N 2 2 322.424 3.823 20 0 DHADLP Fc1ccc(C([NH2+]CC[C@H]2CCC[NH2+]2)c2ccc(F)cc2)cc1 ZINC000423366197 1027523913 /nfs/dbraw/zinc/52/39/13/1027523913.db2.gz PWFHMSPRQMHAHZ-GOSISDBHSA-N 2 2 316.395 3.786 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000423392079 1027534802 /nfs/dbraw/zinc/53/48/02/1027534802.db2.gz XJIVYNNIQNDBTL-RNCFNFMXSA-N 2 2 317.296 3.549 20 0 DHADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)CCC[NH2+]1 ZINC000423429545 1027546677 /nfs/dbraw/zinc/54/66/77/1027546677.db2.gz OZGXKONXKZIRIR-QAPCUYQASA-N 2 2 322.518 3.606 20 0 DHADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1nc(-c2ccccc2)cs1 ZINC000423525758 1027580926 /nfs/dbraw/zinc/58/09/26/1027580926.db2.gz KPWCQNNUVGHRPK-CYBMUJFWSA-N 2 2 301.459 3.603 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccnc1Cl ZINC000158653131 1027605180 /nfs/dbraw/zinc/60/51/80/1027605180.db2.gz MMLNNDAWCUQGAZ-KFWWJZLASA-N 2 2 309.885 3.754 20 0 DHADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000527536771 1027759629 /nfs/dbraw/zinc/75/96/29/1027759629.db2.gz ZTAGFAJNCZMKDN-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000527536771 1027759647 /nfs/dbraw/zinc/75/96/47/1027759647.db2.gz ZTAGFAJNCZMKDN-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000527536771 1027759662 /nfs/dbraw/zinc/75/96/62/1027759662.db2.gz ZTAGFAJNCZMKDN-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000527536771 1027759679 /nfs/dbraw/zinc/75/96/79/1027759679.db2.gz ZTAGFAJNCZMKDN-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Clc1cccnc1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000365419373 1027941190 /nfs/dbraw/zinc/94/11/90/1027941190.db2.gz UEYVKDHVLUMJFN-UHFFFAOYSA-N 2 2 321.896 3.790 20 0 DHADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527945245 1027980148 /nfs/dbraw/zinc/98/01/48/1027980148.db2.gz FBXILJWGJCWPJA-WBVHZDCISA-N 2 2 323.484 3.632 20 0 DHADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527945245 1027980165 /nfs/dbraw/zinc/98/01/65/1027980165.db2.gz FBXILJWGJCWPJA-WBVHZDCISA-N 2 2 323.484 3.632 20 0 DHADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)c1cccnc1 ZINC000527944332 1027980403 /nfs/dbraw/zinc/98/04/03/1027980403.db2.gz CQNDLPDQEBATMQ-MOPGFXCFSA-N 2 2 301.478 3.775 20 0 DHADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)c1cccnc1 ZINC000527944332 1027980425 /nfs/dbraw/zinc/98/04/25/1027980425.db2.gz CQNDLPDQEBATMQ-MOPGFXCFSA-N 2 2 301.478 3.775 20 0 DHADLP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccnc1 ZINC000527952492 1027987230 /nfs/dbraw/zinc/98/72/30/1027987230.db2.gz UCYJCOZAQOCUFS-OALUTQOASA-N 2 2 301.478 3.919 20 0 DHADLP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1cccnc1 ZINC000527952492 1027987239 /nfs/dbraw/zinc/98/72/39/1027987239.db2.gz UCYJCOZAQOCUFS-OALUTQOASA-N 2 2 301.478 3.919 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000528003027 1028030883 /nfs/dbraw/zinc/03/08/83/1028030883.db2.gz RKBLAJXCHREGEV-MXASKKJJSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000528003027 1028030898 /nfs/dbraw/zinc/03/08/98/1028030898.db2.gz RKBLAJXCHREGEV-MXASKKJJSA-N 2 2 304.503 3.847 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(C)c1 ZINC000528005180 1028033349 /nfs/dbraw/zinc/03/33/49/1028033349.db2.gz YNPHUZLPNHJSHY-RDJZCZTQSA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(C)c1 ZINC000528005180 1028033364 /nfs/dbraw/zinc/03/33/64/1028033364.db2.gz YNPHUZLPNHJSHY-RDJZCZTQSA-N 2 2 302.462 3.671 20 0 DHADLP Fc1ccc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)C2)cc1 ZINC000528009182 1028038397 /nfs/dbraw/zinc/03/83/97/1028038397.db2.gz HFNYZGUYLSOBAB-KVWWFHCMSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)C2)cc1 ZINC000528009182 1028038406 /nfs/dbraw/zinc/03/84/06/1028038406.db2.gz HFNYZGUYLSOBAB-KVWWFHCMSA-N 2 2 302.437 3.678 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCc3sccc31)CCC2 ZINC000366210322 1028060909 /nfs/dbraw/zinc/06/09/09/1028060909.db2.gz OLIXZRGGQFIPNB-ZFWWWQNUSA-N 2 2 301.459 3.798 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCOc3ccccc31)CCC2 ZINC000366207924 1028062729 /nfs/dbraw/zinc/06/27/29/1028062729.db2.gz FQVUTKXJTAUECZ-WBVHZDCISA-N 2 2 311.429 3.572 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934698601 1028077041 /nfs/dbraw/zinc/07/70/41/1028077041.db2.gz NUPRNSNEHZYKMV-FQEVSTJZSA-N 2 2 318.424 3.817 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccnn1-c1ccccc1 ZINC000366967453 1028117669 /nfs/dbraw/zinc/11/76/69/1028117669.db2.gz XKRHVCQQVRJTLS-LRYGQEGESA-N 2 2 324.472 3.540 20 0 DHADLP c1ccc(NCCCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)[nH+]c1 ZINC000367067221 1028133564 /nfs/dbraw/zinc/13/35/64/1028133564.db2.gz QUZHOMHVLIFPJX-MJGOQNOKSA-N 2 2 324.472 3.985 20 0 DHADLP COc1cccc2c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cccc12 ZINC000449014245 1028242970 /nfs/dbraw/zinc/24/29/70/1028242970.db2.gz HOROUFWTVGMNMY-INIZCTEOSA-N 2 2 321.424 3.951 20 0 DHADLP COc1cccc2c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cccc12 ZINC000449014245 1028242989 /nfs/dbraw/zinc/24/29/89/1028242989.db2.gz HOROUFWTVGMNMY-INIZCTEOSA-N 2 2 321.424 3.951 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C(C)(C)C ZINC000368000047 1028270975 /nfs/dbraw/zinc/27/09/75/1028270975.db2.gz WORFJGZWWVJNMI-ZWKOTPCHSA-N 2 2 303.494 3.708 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C(C)(C)C ZINC000368000047 1028270985 /nfs/dbraw/zinc/27/09/85/1028270985.db2.gz WORFJGZWWVJNMI-ZWKOTPCHSA-N 2 2 303.494 3.708 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)C(C)(C)C ZINC000368000044 1028271841 /nfs/dbraw/zinc/27/18/41/1028271841.db2.gz WORFJGZWWVJNMI-MSOLQXFVSA-N 2 2 303.494 3.708 20 0 DHADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C(C)(C)C ZINC000368000044 1028271857 /nfs/dbraw/zinc/27/18/57/1028271857.db2.gz WORFJGZWWVJNMI-MSOLQXFVSA-N 2 2 303.494 3.708 20 0 DHADLP c1csc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CCCC2)c1 ZINC000367994258 1028273247 /nfs/dbraw/zinc/27/32/47/1028273247.db2.gz KCFZSXJXOHRNMG-DYVFJYSZSA-N 2 2 301.459 3.850 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CC3(CCCC3)Oc3ccccc31)C2 ZINC000367999655 1028274049 /nfs/dbraw/zinc/27/40/49/1028274049.db2.gz XCDYYWXEUQPQNI-KSSFIOAISA-N 2 2 323.440 3.693 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)s1 ZINC000578939032 1028278458 /nfs/dbraw/zinc/27/84/58/1028278458.db2.gz QOYWVFDTVKVOMU-UHFFFAOYSA-N 2 2 308.413 3.931 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)s1 ZINC000578939032 1028278466 /nfs/dbraw/zinc/27/84/66/1028278466.db2.gz QOYWVFDTVKVOMU-UHFFFAOYSA-N 2 2 308.413 3.931 20 0 DHADLP Cc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)cc1 ZINC000368102259 1028296916 /nfs/dbraw/zinc/29/69/16/1028296916.db2.gz XSHAKBCWDQOVKB-RXVVDRJESA-N 2 2 317.436 3.955 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(C)(C)C)cc1 ZINC000368097931 1028299987 /nfs/dbraw/zinc/29/99/87/1028299987.db2.gz AOZYFTKVDBCMJL-ZFWWWQNUSA-N 2 2 313.445 3.795 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000368100880 1028300854 /nfs/dbraw/zinc/30/08/54/1028300854.db2.gz IRYCXCSYNPELPL-KOLCDFICSA-N 2 2 310.228 3.925 20 0 DHADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098944 1028301321 /nfs/dbraw/zinc/30/13/21/1028301321.db2.gz DGJMLVLXMXKJNS-JQWIXIFHSA-N 2 2 304.463 3.506 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103807 1028305556 /nfs/dbraw/zinc/30/55/56/1028305556.db2.gz YVIGJEWKJWRBBI-RISCZKNCSA-N 2 2 323.362 3.507 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449076760 1028341426 /nfs/dbraw/zinc/34/14/26/1028341426.db2.gz HYHRLAKQHBMIGY-MUYFXNHWSA-N 2 2 308.510 3.721 20 0 DHADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449076760 1028341444 /nfs/dbraw/zinc/34/14/44/1028341444.db2.gz HYHRLAKQHBMIGY-MUYFXNHWSA-N 2 2 308.510 3.721 20 0 DHADLP CC(C)COc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000579300724 1028374683 /nfs/dbraw/zinc/37/46/83/1028374683.db2.gz XAAHBZAVJVQNAK-AEFFLSMTSA-N 2 2 304.478 3.636 20 0 DHADLP CC(C)COc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000579300724 1028374699 /nfs/dbraw/zinc/37/46/99/1028374699.db2.gz XAAHBZAVJVQNAK-AEFFLSMTSA-N 2 2 304.478 3.636 20 0 DHADLP CC(C)COc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000579300724 1028374714 /nfs/dbraw/zinc/37/47/14/1028374714.db2.gz XAAHBZAVJVQNAK-AEFFLSMTSA-N 2 2 304.478 3.636 20 0 DHADLP CC(C)COc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000579300724 1028374727 /nfs/dbraw/zinc/37/47/27/1028374727.db2.gz XAAHBZAVJVQNAK-AEFFLSMTSA-N 2 2 304.478 3.636 20 0 DHADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000449155888 1028409103 /nfs/dbraw/zinc/40/91/03/1028409103.db2.gz CHYZQHLDPGFXFI-CZUORRHYSA-N 2 2 321.515 3.686 20 0 DHADLP Cc1cnc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000449155888 1028409110 /nfs/dbraw/zinc/40/91/10/1028409110.db2.gz CHYZQHLDPGFXFI-CZUORRHYSA-N 2 2 321.515 3.686 20 0 DHADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2ncc(C(C)(C)C)s2)CC1 ZINC000369094516 1028443359 /nfs/dbraw/zinc/44/33/59/1028443359.db2.gz JTKRNMQIUPGVKE-UHFFFAOYSA-N 2 2 307.507 3.501 20 0 DHADLP C[NH+]1CCC2(CCC[N@H+]2Cc2ncc(C(C)(C)C)s2)CC1 ZINC000369094516 1028443360 /nfs/dbraw/zinc/44/33/60/1028443360.db2.gz JTKRNMQIUPGVKE-UHFFFAOYSA-N 2 2 307.507 3.501 20 0 DHADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000579651857 1028460430 /nfs/dbraw/zinc/46/04/30/1028460430.db2.gz ILSWJAJOJRTPEQ-HZMBPMFUSA-N 2 2 322.239 3.851 20 0 DHADLP CC(C)[N@H+](Cc1cc(F)c(F)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206591750 1028602759 /nfs/dbraw/zinc/60/27/59/1028602759.db2.gz VTZZLJMQIQTGSH-CYBMUJFWSA-N 2 2 316.823 3.971 20 0 DHADLP CC(C)[N@@H+](Cc1cc(F)c(F)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001206591750 1028602768 /nfs/dbraw/zinc/60/27/68/1028602768.db2.gz VTZZLJMQIQTGSH-CYBMUJFWSA-N 2 2 316.823 3.971 20 0 DHADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000371795966 1028760941 /nfs/dbraw/zinc/76/09/41/1028760941.db2.gz KBUDPNSBOXYCID-UYAOXDASSA-N 2 2 323.484 3.953 20 0 DHADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000371795966 1028760953 /nfs/dbraw/zinc/76/09/53/1028760953.db2.gz KBUDPNSBOXYCID-UYAOXDASSA-N 2 2 323.484 3.953 20 0 DHADLP CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000528775715 1028798003 /nfs/dbraw/zinc/79/80/03/1028798003.db2.gz QOFNVZATZOHKCH-KRWDZBQOSA-N 2 2 301.409 3.680 20 0 DHADLP CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000528775715 1028798016 /nfs/dbraw/zinc/79/80/16/1028798016.db2.gz QOFNVZATZOHKCH-KRWDZBQOSA-N 2 2 301.409 3.680 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528792773 1028816326 /nfs/dbraw/zinc/81/63/26/1028816326.db2.gz GQPNPTIPJZFKEQ-UHFFFAOYSA-N 2 2 323.362 3.659 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528792773 1028816342 /nfs/dbraw/zinc/81/63/42/1028816342.db2.gz GQPNPTIPJZFKEQ-UHFFFAOYSA-N 2 2 323.362 3.659 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](Cc2cccnc2)CC1 ZINC000372215132 1028827440 /nfs/dbraw/zinc/82/74/40/1028827440.db2.gz CKKXTHWRTZFMCD-FQEVSTJZSA-N 2 2 309.457 3.568 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](Cc2cccnc2)CC1 ZINC000372215132 1028827461 /nfs/dbraw/zinc/82/74/61/1028827461.db2.gz CKKXTHWRTZFMCD-FQEVSTJZSA-N 2 2 309.457 3.568 20 0 DHADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](Cc2cccnc2)CC1 ZINC000372215132 1028827479 /nfs/dbraw/zinc/82/74/79/1028827479.db2.gz CKKXTHWRTZFMCD-FQEVSTJZSA-N 2 2 309.457 3.568 20 0 DHADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000372215132 1028827496 /nfs/dbraw/zinc/82/74/96/1028827496.db2.gz CKKXTHWRTZFMCD-FQEVSTJZSA-N 2 2 309.457 3.568 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCC(C(F)(F)F)CC1 ZINC000567432290 1028894776 /nfs/dbraw/zinc/89/47/76/1028894776.db2.gz NZBDELUIFINHOM-XVSSEFHLSA-N 2 2 315.383 3.614 20 0 DHADLP Clc1ccc(C2=CC[N@H+](CCC[NH+]3CCCCC3)CC2)cn1 ZINC000372903124 1028919967 /nfs/dbraw/zinc/91/99/67/1028919967.db2.gz OBOWPHUXRRMAAA-UHFFFAOYSA-N 2 2 319.880 3.700 20 0 DHADLP Clc1ccc(C2=CC[N@@H+](CCC[NH+]3CCCCC3)CC2)cn1 ZINC000372903124 1028919985 /nfs/dbraw/zinc/91/99/85/1028919985.db2.gz OBOWPHUXRRMAAA-UHFFFAOYSA-N 2 2 319.880 3.700 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000373010379 1028935262 /nfs/dbraw/zinc/93/52/62/1028935262.db2.gz BUINPYJSDRPVDY-HNNXBMFYSA-N 2 2 307.507 3.717 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000373010379 1028935270 /nfs/dbraw/zinc/93/52/70/1028935270.db2.gz BUINPYJSDRPVDY-HNNXBMFYSA-N 2 2 307.507 3.717 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281027 1028986629 /nfs/dbraw/zinc/98/66/29/1028986629.db2.gz WEQIGVWUMPIUGH-PWSUYJOCSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281027 1028986649 /nfs/dbraw/zinc/98/66/49/1028986649.db2.gz WEQIGVWUMPIUGH-PWSUYJOCSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281027 1028986666 /nfs/dbraw/zinc/98/66/66/1028986666.db2.gz WEQIGVWUMPIUGH-PWSUYJOCSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1csc(C(F)(F)F)c1 ZINC000628281027 1028986679 /nfs/dbraw/zinc/98/66/79/1028986679.db2.gz WEQIGVWUMPIUGH-PWSUYJOCSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)n1c[nH+]c2c1CCCC2 ZINC000628371948 1029019414 /nfs/dbraw/zinc/01/94/14/1029019414.db2.gz PJDSUEBFFLIJPJ-WMZOPIPTSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)n1c[nH+]c2c1CCCC2 ZINC000628371948 1029019430 /nfs/dbraw/zinc/01/94/30/1029019430.db2.gz PJDSUEBFFLIJPJ-WMZOPIPTSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)cc(Cl)c1 ZINC000568334186 1029048408 /nfs/dbraw/zinc/04/84/08/1029048408.db2.gz SKKSYHZPICHPSG-RNCFNFMXSA-N 2 2 310.228 3.925 20 0 DHADLP Cc1noc(C)c1C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000371496581 1029143448 /nfs/dbraw/zinc/14/34/48/1029143448.db2.gz CCHKIABOWXEPNY-UHFFFAOYSA-N 2 2 319.493 3.766 20 0 DHADLP Cc1noc(C)c1C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000371496581 1029143456 /nfs/dbraw/zinc/14/34/56/1029143456.db2.gz CCHKIABOWXEPNY-UHFFFAOYSA-N 2 2 319.493 3.766 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1SC(C)(C)C ZINC000817981588 1029321450 /nfs/dbraw/zinc/32/14/50/1029321450.db2.gz LRGUAJAUMMCYQF-HUUCEWRRSA-N 2 2 322.518 3.606 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)[nH+]c2c1 ZINC000570228997 1029334810 /nfs/dbraw/zinc/33/48/10/1029334810.db2.gz XPDPIDXRPGNSPZ-FQEVSTJZSA-N 2 2 309.457 3.774 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@@]4(C3)CCC[N@H+](C)C4)[nH+]c2c1 ZINC000570228997 1029334824 /nfs/dbraw/zinc/33/48/24/1029334824.db2.gz XPDPIDXRPGNSPZ-FQEVSTJZSA-N 2 2 309.457 3.774 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000629657400 1029409350 /nfs/dbraw/zinc/40/93/50/1029409350.db2.gz XMSQMCMFTQWNNG-CHWSQXEVSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000629657400 1029409358 /nfs/dbraw/zinc/40/93/58/1029409358.db2.gz XMSQMCMFTQWNNG-CHWSQXEVSA-N 2 2 320.786 3.608 20 0 DHADLP C[C@@H]1C[C@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC[N@@H+]1C ZINC000450353923 1029410494 /nfs/dbraw/zinc/41/04/94/1029410494.db2.gz HZLFWLJUDPTFNP-BXUZGUMPSA-N 2 2 323.362 4.148 20 0 DHADLP C[C@@H]1C[C@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC[N@H+]1C ZINC000450353923 1029410497 /nfs/dbraw/zinc/41/04/97/1029410497.db2.gz HZLFWLJUDPTFNP-BXUZGUMPSA-N 2 2 323.362 4.148 20 0 DHADLP CCC(CC)(CC)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000374684752 1029431499 /nfs/dbraw/zinc/43/14/99/1029431499.db2.gz XCOITMJROQJRRK-AEFFLSMTSA-N 2 2 320.525 3.609 20 0 DHADLP CCC(CC)(CC)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000374684752 1029431503 /nfs/dbraw/zinc/43/15/03/1029431503.db2.gz XCOITMJROQJRRK-AEFFLSMTSA-N 2 2 320.525 3.609 20 0 DHADLP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)[C@@H]2C1 ZINC000450430415 1029467840 /nfs/dbraw/zinc/46/78/40/1029467840.db2.gz RQFCQNMUZVPVLK-PIGZYNQJSA-N 2 2 319.811 3.558 20 0 DHADLP C[N@H+]1CC[C@@H]2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)[C@@H]2C1 ZINC000450430415 1029467844 /nfs/dbraw/zinc/46/78/44/1029467844.db2.gz RQFCQNMUZVPVLK-PIGZYNQJSA-N 2 2 319.811 3.558 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374859344 1029480707 /nfs/dbraw/zinc/48/07/07/1029480707.db2.gz WGXYKXJWPFELMX-CVEARBPZSA-N 2 2 312.413 3.788 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374859344 1029480711 /nfs/dbraw/zinc/48/07/11/1029480711.db2.gz WGXYKXJWPFELMX-CVEARBPZSA-N 2 2 312.413 3.788 20 0 DHADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000390195529 1029557158 /nfs/dbraw/zinc/55/71/58/1029557158.db2.gz UNCCZWYDFHPYHN-VQTJNVASSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000390195529 1029557163 /nfs/dbraw/zinc/55/71/63/1029557163.db2.gz UNCCZWYDFHPYHN-VQTJNVASSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000450784586 1029650431 /nfs/dbraw/zinc/65/04/31/1029650431.db2.gz JIODRQCDLLBKFQ-GOSISDBHSA-N 2 2 309.457 3.826 20 0 DHADLP Cc1ccc(C)c(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000450784586 1029650437 /nfs/dbraw/zinc/65/04/37/1029650437.db2.gz JIODRQCDLLBKFQ-GOSISDBHSA-N 2 2 309.457 3.826 20 0 DHADLP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170945713 1029710424 /nfs/dbraw/zinc/71/04/24/1029710424.db2.gz WXECENRBWSKBHN-QGZVFWFLSA-N 2 2 318.892 3.756 20 0 DHADLP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170945713 1029710434 /nfs/dbraw/zinc/71/04/34/1029710434.db2.gz WXECENRBWSKBHN-QGZVFWFLSA-N 2 2 318.892 3.756 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 ZINC000450868830 1029714768 /nfs/dbraw/zinc/71/47/68/1029714768.db2.gz ABIGQELLUNPPOG-GOEBONIOSA-N 2 2 309.523 3.640 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 ZINC000450868830 1029714780 /nfs/dbraw/zinc/71/47/80/1029714780.db2.gz ABIGQELLUNPPOG-GOEBONIOSA-N 2 2 309.523 3.640 20 0 DHADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)CC(C)C)C1 ZINC000450868830 1029714794 /nfs/dbraw/zinc/71/47/94/1029714794.db2.gz ABIGQELLUNPPOG-GOEBONIOSA-N 2 2 309.523 3.640 20 0 DHADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)CC(C)C)C1 ZINC000450868830 1029714801 /nfs/dbraw/zinc/71/48/01/1029714801.db2.gz ABIGQELLUNPPOG-GOEBONIOSA-N 2 2 309.523 3.640 20 0 DHADLP FC1(F)CC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000450929257 1029740683 /nfs/dbraw/zinc/74/06/83/1029740683.db2.gz UBRXOIGJEBHLSX-HUUCEWRRSA-N 2 2 323.431 3.834 20 0 DHADLP FC1(F)CC[C@@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000450929257 1029740688 /nfs/dbraw/zinc/74/06/88/1029740688.db2.gz UBRXOIGJEBHLSX-HUUCEWRRSA-N 2 2 323.431 3.834 20 0 DHADLP CC[C@@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000530529664 1029882167 /nfs/dbraw/zinc/88/21/67/1029882167.db2.gz BZPABJIHKPBBQX-TWRYWWQQSA-N 2 2 318.427 3.960 20 0 DHADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCC[C@H]3F)CC2)cc1 ZINC000865696604 1029978803 /nfs/dbraw/zinc/97/88/03/1029978803.db2.gz HEDSCWXXGNYIBW-MOPGFXCFSA-N 2 2 322.443 3.703 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000290430415 1030047439 /nfs/dbraw/zinc/04/74/39/1030047439.db2.gz VAZUKZMAADMJQC-MBPVOVBZSA-N 2 2 324.468 3.534 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000290430415 1030047455 /nfs/dbraw/zinc/04/74/55/1030047455.db2.gz VAZUKZMAADMJQC-MBPVOVBZSA-N 2 2 324.468 3.534 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000290430423 1030048067 /nfs/dbraw/zinc/04/80/67/1030048067.db2.gz VAZUKZMAADMJQC-NASSWSRMSA-N 2 2 324.468 3.534 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000290430423 1030048085 /nfs/dbraw/zinc/04/80/85/1030048085.db2.gz VAZUKZMAADMJQC-NASSWSRMSA-N 2 2 324.468 3.534 20 0 DHADLP Fc1cc(F)cc(CC2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000451930034 1030056760 /nfs/dbraw/zinc/05/67/60/1030056760.db2.gz UGWYQNXYJDABNT-UHFFFAOYSA-N 2 2 319.399 3.506 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c2cccnc2)cc1 ZINC000924617277 1030142056 /nfs/dbraw/zinc/14/20/56/1030142056.db2.gz LVQIFKIKCJRSBS-HXUWFJFHSA-N 2 2 311.473 3.799 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCC[N@H+](C)C(C)C)c2cccnc2)cc1 ZINC000924617277 1030142063 /nfs/dbraw/zinc/14/20/63/1030142063.db2.gz LVQIFKIKCJRSBS-HXUWFJFHSA-N 2 2 311.473 3.799 20 0 DHADLP CCSc1ccccc1C[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000924647071 1030148928 /nfs/dbraw/zinc/14/89/28/1030148928.db2.gz CPNDOYNHNINPHO-GJZGRUSLSA-N 2 2 303.475 3.604 20 0 DHADLP C[C@@H](CCc1cccnc1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000866212166 1030160636 /nfs/dbraw/zinc/16/06/36/1030160636.db2.gz DUNQVZCWWFMRCZ-GHTZIAJQSA-N 2 2 323.484 3.829 20 0 DHADLP CCc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)c2cccnc2)cc1 ZINC000924704725 1030165310 /nfs/dbraw/zinc/16/53/10/1030165310.db2.gz HSKZKNQMINLDIT-NQIIRXRSSA-N 2 2 323.484 3.665 20 0 DHADLP CCc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)c2cccnc2)cc1 ZINC000924704725 1030165314 /nfs/dbraw/zinc/16/53/14/1030165314.db2.gz HSKZKNQMINLDIT-NQIIRXRSSA-N 2 2 323.484 3.665 20 0 DHADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000533151946 1030167365 /nfs/dbraw/zinc/16/73/65/1030167365.db2.gz XPTPEGNPPKDBHO-MRXNPFEDSA-N 2 2 318.509 3.892 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000533151946 1030167377 /nfs/dbraw/zinc/16/73/77/1030167377.db2.gz XPTPEGNPPKDBHO-MRXNPFEDSA-N 2 2 318.509 3.892 20 0 DHADLP C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000866241754 1030176744 /nfs/dbraw/zinc/17/67/44/1030176744.db2.gz GLBRUDMSMDPUGV-HNNXBMFYSA-N 2 2 324.403 3.517 20 0 DHADLP CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)c1ncccc1Cl ZINC000924755348 1030180401 /nfs/dbraw/zinc/18/04/01/1030180401.db2.gz WATBOCUVLLGASS-HOCLYGCPSA-N 2 2 309.885 3.898 20 0 DHADLP CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1ncccc1Cl ZINC000924755348 1030180407 /nfs/dbraw/zinc/18/04/07/1030180407.db2.gz WATBOCUVLLGASS-HOCLYGCPSA-N 2 2 309.885 3.898 20 0 DHADLP Clc1ccnc2c1CC[C@@H]2[NH2+]CCCCNc1cccc[nH+]1 ZINC000924924489 1030228052 /nfs/dbraw/zinc/22/80/52/1030228052.db2.gz AAXALSHYPDACRV-HNNXBMFYSA-N 2 2 316.836 3.599 20 0 DHADLP Cc1cccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c2ccccn2)c1 ZINC000925224133 1030310719 /nfs/dbraw/zinc/31/07/19/1030310719.db2.gz XVSASSFOQNBOPC-ZVDOUQERSA-N 2 2 323.484 3.942 20 0 DHADLP CSc1ccccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000358076907 1030313776 /nfs/dbraw/zinc/31/37/76/1030313776.db2.gz NBIHEQBVLHXGDT-HNNXBMFYSA-N 2 2 315.486 3.597 20 0 DHADLP CSc1ccccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000358076907 1030313788 /nfs/dbraw/zinc/31/37/88/1030313788.db2.gz NBIHEQBVLHXGDT-HNNXBMFYSA-N 2 2 315.486 3.597 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000925306065 1030339053 /nfs/dbraw/zinc/33/90/53/1030339053.db2.gz FVETVOSWMKIHQV-HNNXBMFYSA-N 2 2 307.869 3.575 20 0 DHADLP Clc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001171029540 1030389586 /nfs/dbraw/zinc/38/95/86/1030389586.db2.gz JKWQATXMRBJBKO-SJORKVTESA-N 2 2 318.892 3.661 20 0 DHADLP Clc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001171029540 1030389602 /nfs/dbraw/zinc/38/96/02/1030389602.db2.gz JKWQATXMRBJBKO-SJORKVTESA-N 2 2 318.892 3.661 20 0 DHADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000925625593 1030424237 /nfs/dbraw/zinc/42/42/37/1030424237.db2.gz GTUFSBUJDQSAOO-CJNGLKHVSA-N 2 2 317.502 3.661 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708535 1030428280 /nfs/dbraw/zinc/42/82/80/1030428280.db2.gz RCHSFDATQUFPRQ-SCLBCKFNSA-N 2 2 307.482 3.730 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708535 1030428285 /nfs/dbraw/zinc/42/82/85/1030428285.db2.gz RCHSFDATQUFPRQ-SCLBCKFNSA-N 2 2 307.482 3.730 20 0 DHADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccccc1 ZINC000925653206 1030439336 /nfs/dbraw/zinc/43/93/36/1030439336.db2.gz KHYXXEYJEIFNGX-WAOWUJCRSA-N 2 2 323.484 3.581 20 0 DHADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccccc1 ZINC000925653205 1030439939 /nfs/dbraw/zinc/43/99/39/1030439939.db2.gz KHYXXEYJEIFNGX-UEXGIBASSA-N 2 2 323.484 3.581 20 0 DHADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCC1 ZINC000823942979 1030440032 /nfs/dbraw/zinc/44/00/32/1030440032.db2.gz AKKJWMCGSOYUNK-HXUWFJFHSA-N 2 2 315.505 3.890 20 0 DHADLP COc1cc(Cl)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000533584404 1030443874 /nfs/dbraw/zinc/44/38/74/1030443874.db2.gz BCBNEBBELVHPQW-CMPLNLGQSA-N 2 2 317.260 3.574 20 0 DHADLP COc1cc(Cl)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000533584404 1030443880 /nfs/dbraw/zinc/44/38/80/1030443880.db2.gz BCBNEBBELVHPQW-CMPLNLGQSA-N 2 2 317.260 3.574 20 0 DHADLP C[C@H](c1cccc2ccccc21)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925748702 1030476417 /nfs/dbraw/zinc/47/64/17/1030476417.db2.gz XNOXNXKXAHMEJZ-CYBMUJFWSA-N 2 2 323.465 3.874 20 0 DHADLP C[C@H](c1cccc2ccccc21)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925748702 1030476425 /nfs/dbraw/zinc/47/64/25/1030476425.db2.gz XNOXNXKXAHMEJZ-CYBMUJFWSA-N 2 2 323.465 3.874 20 0 DHADLP CCCC[C@@H](c1ccccc1)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749668 1030477036 /nfs/dbraw/zinc/47/70/36/1030477036.db2.gz YMLCMEDYCDAOQZ-INIZCTEOSA-N 2 2 315.486 3.891 20 0 DHADLP CCCC[C@@H](c1ccccc1)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749668 1030477044 /nfs/dbraw/zinc/47/70/44/1030477044.db2.gz YMLCMEDYCDAOQZ-INIZCTEOSA-N 2 2 315.486 3.891 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@H]2[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749191 1030477321 /nfs/dbraw/zinc/47/73/21/1030477321.db2.gz VEUCBXOAGXOICJ-IUODEOHRSA-N 2 2 313.470 3.517 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@H]2[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749191 1030477326 /nfs/dbraw/zinc/47/73/26/1030477326.db2.gz VEUCBXOAGXOICJ-IUODEOHRSA-N 2 2 313.470 3.517 20 0 DHADLP CCc1ccc([C@@H](CC)[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925749838 1030479487 /nfs/dbraw/zinc/47/94/87/1030479487.db2.gz DJZQMJDKJMERQO-MRXNPFEDSA-N 2 2 315.486 3.674 20 0 DHADLP CCc1ccc([C@@H](CC)[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000925749838 1030479496 /nfs/dbraw/zinc/47/94/96/1030479496.db2.gz DJZQMJDKJMERQO-MRXNPFEDSA-N 2 2 315.486 3.674 20 0 DHADLP CCC[NH+](CCC)CCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455482956 1030484603 /nfs/dbraw/zinc/48/46/03/1030484603.db2.gz PSRLXBGFCKPOMG-UHFFFAOYSA-N 2 2 320.481 3.640 20 0 DHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925785574 1030495858 /nfs/dbraw/zinc/49/58/58/1030495858.db2.gz LMKPBOIUXFNRJB-SPYBWZPUSA-N 2 2 310.441 3.621 20 0 DHADLP C[C@@H]([NH3+])[C@@H]([NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccccc1 ZINC000925840346 1030516720 /nfs/dbraw/zinc/51/67/20/1030516720.db2.gz VEZKYXLWTDBVRF-BNEJOLLZSA-N 2 2 316.395 3.713 20 0 DHADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000926120073 1030625581 /nfs/dbraw/zinc/62/55/81/1030625581.db2.gz UDHXQXIYLKIMJP-LXZKKBNFSA-N 2 2 317.477 3.603 20 0 DHADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000926120073 1030625586 /nfs/dbraw/zinc/62/55/86/1030625586.db2.gz UDHXQXIYLKIMJP-LXZKKBNFSA-N 2 2 317.477 3.603 20 0 DHADLP CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246524698 1030633112 /nfs/dbraw/zinc/63/31/12/1030633112.db2.gz JBHBWWNWEPRBRT-LPHOPBHVSA-N 2 2 314.473 3.534 20 0 DHADLP CCOc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246524698 1030633122 /nfs/dbraw/zinc/63/31/22/1030633122.db2.gz JBHBWWNWEPRBRT-LPHOPBHVSA-N 2 2 314.473 3.534 20 0 DHADLP CCOc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246524698 1030633133 /nfs/dbraw/zinc/63/31/33/1030633133.db2.gz JBHBWWNWEPRBRT-LPHOPBHVSA-N 2 2 314.473 3.534 20 0 DHADLP CCOc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246524698 1030633146 /nfs/dbraw/zinc/63/31/46/1030633146.db2.gz JBHBWWNWEPRBRT-LPHOPBHVSA-N 2 2 314.473 3.534 20 0 DHADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247148282 1030678499 /nfs/dbraw/zinc/67/84/99/1030678499.db2.gz WSFINGIRNKLWBQ-YSDSKTICSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247148282 1030678510 /nfs/dbraw/zinc/67/85/10/1030678510.db2.gz WSFINGIRNKLWBQ-YSDSKTICSA-N 2 2 315.505 3.706 20 0 DHADLP CC(C)[C@@H]1C[C@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000824977478 1030690516 /nfs/dbraw/zinc/69/05/16/1030690516.db2.gz MZBBFQARKKLNOH-JXFKEZNVSA-N 2 2 315.505 3.603 20 0 DHADLP C[C@@H](C[NH+](C)C)[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000926424192 1030731042 /nfs/dbraw/zinc/73/10/42/1030731042.db2.gz OSKLUKCWFOQBGX-VIFPVBQESA-N 2 2 308.310 3.580 20 0 DHADLP Cc1ccccc1C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000926449342 1030744072 /nfs/dbraw/zinc/74/40/72/1030744072.db2.gz FDLRXZWIQVZDNC-QFBILLFUSA-N 2 2 321.424 3.742 20 0 DHADLP CCSc1ccccc1C[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449775 1030744221 /nfs/dbraw/zinc/74/42/21/1030744221.db2.gz HWDOPMZIBSGACK-ZFWWWQNUSA-N 2 2 315.486 3.600 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1csc(C(F)(F)F)c1 ZINC000926451433 1030745626 /nfs/dbraw/zinc/74/56/26/1030745626.db2.gz ZZSYMTPOMVOWAB-PSASIEDQSA-N 2 2 315.364 3.698 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000558788509 1030805258 /nfs/dbraw/zinc/80/52/58/1030805258.db2.gz NMAIMWPYCJSKLU-UHIISALHSA-N 2 2 301.261 3.812 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000558788509 1030805274 /nfs/dbraw/zinc/80/52/74/1030805274.db2.gz NMAIMWPYCJSKLU-UHIISALHSA-N 2 2 301.261 3.812 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)[C@@H]1c1cccnc1 ZINC000926580382 1030810238 /nfs/dbraw/zinc/81/02/38/1030810238.db2.gz QKCRTCMOXKFHOR-RDGPPVDQSA-N 2 2 315.505 3.879 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@H]2C(C)(C)C)[C@@H]1c1cccnc1 ZINC000926580382 1030810253 /nfs/dbraw/zinc/81/02/53/1030810253.db2.gz QKCRTCMOXKFHOR-RDGPPVDQSA-N 2 2 315.505 3.879 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000359593474 1031049239 /nfs/dbraw/zinc/04/92/39/1031049239.db2.gz RYJBNFWGMURCID-AEFFLSMTSA-N 2 2 302.462 3.591 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000359593474 1031049254 /nfs/dbraw/zinc/04/92/54/1031049254.db2.gz RYJBNFWGMURCID-AEFFLSMTSA-N 2 2 302.462 3.591 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000359589536 1031051375 /nfs/dbraw/zinc/05/13/75/1031051375.db2.gz JNHNQJGIWBWDLF-GOEBONIOSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000359589536 1031051390 /nfs/dbraw/zinc/05/13/90/1031051390.db2.gz JNHNQJGIWBWDLF-GOEBONIOSA-N 2 2 308.853 3.628 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927056002 1031053633 /nfs/dbraw/zinc/05/36/33/1031053633.db2.gz OWEMTNVMSDTMIN-HNAYVOBHSA-N 2 2 318.424 3.996 20 0 DHADLP CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cnn(C)c1 ZINC000927069994 1031070485 /nfs/dbraw/zinc/07/04/85/1031070485.db2.gz YJUQMETZAGFNFF-HNAYVOBHSA-N 2 2 323.444 3.654 20 0 DHADLP C[C@]1(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)CC[NH2+]C1 ZINC000261978962 1031083727 /nfs/dbraw/zinc/08/37/27/1031083727.db2.gz IYXLBHNEZASSNB-HOTGVXAUSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@]1(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CC[NH2+]C1 ZINC000261978962 1031083712 /nfs/dbraw/zinc/08/37/12/1031083712.db2.gz IYXLBHNEZASSNB-HOTGVXAUSA-N 2 2 323.278 3.586 20 0 DHADLP CCc1onc(C)c1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000927130598 1031110519 /nfs/dbraw/zinc/11/05/19/1031110519.db2.gz DUMMUDMCALUARU-CYBMUJFWSA-N 2 2 310.401 3.582 20 0 DHADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(OCC)c(F)c1 ZINC001144032596 1031195471 /nfs/dbraw/zinc/19/54/71/1031195471.db2.gz QNIXLICRYUXCCE-UHFFFAOYSA-N 2 2 314.420 3.527 20 0 DHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(OCC)c(F)c1 ZINC001144032596 1031195480 /nfs/dbraw/zinc/19/54/80/1031195480.db2.gz QNIXLICRYUXCCE-UHFFFAOYSA-N 2 2 314.420 3.527 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)C2 ZINC001171132749 1031206523 /nfs/dbraw/zinc/20/65/23/1031206523.db2.gz CTPHUQQROGHINB-SFHVURJKSA-N 2 2 315.848 3.731 20 0 DHADLP c1[nH+]c([C@H]2CCC[N@@H+](CCc3ccccc3)C2)n2c1CCCC2 ZINC000282059749 1031212445 /nfs/dbraw/zinc/21/24/45/1031212445.db2.gz MNUCGJYPXDXTRY-SFHVURJKSA-N 2 2 309.457 3.642 20 0 DHADLP c1[nH+]c([C@H]2CCC[N@H+](CCc3ccccc3)C2)n2c1CCCC2 ZINC000282059749 1031212462 /nfs/dbraw/zinc/21/24/62/1031212462.db2.gz MNUCGJYPXDXTRY-SFHVURJKSA-N 2 2 309.457 3.642 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1)CCC2 ZINC000359953368 1031215242 /nfs/dbraw/zinc/21/52/42/1031215242.db2.gz WFFHGCUCUXLQMS-TZMCWYRMSA-N 2 2 305.372 3.698 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000292897175 1031238951 /nfs/dbraw/zinc/23/89/51/1031238951.db2.gz VSVAOYVVYFNXRI-RDJZCZTQSA-N 2 2 303.494 3.682 20 0 DHADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000292897175 1031238966 /nfs/dbraw/zinc/23/89/66/1031238966.db2.gz VSVAOYVVYFNXRI-RDJZCZTQSA-N 2 2 303.494 3.682 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000292897175 1031238978 /nfs/dbraw/zinc/23/89/78/1031238978.db2.gz VSVAOYVVYFNXRI-RDJZCZTQSA-N 2 2 303.494 3.682 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000292897175 1031238995 /nfs/dbraw/zinc/23/89/95/1031238995.db2.gz VSVAOYVVYFNXRI-RDJZCZTQSA-N 2 2 303.494 3.682 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)Sc2ccccc21 ZINC000872021468 1031405879 /nfs/dbraw/zinc/40/58/79/1031405879.db2.gz PSMRYBFYENRZKK-ZFWWWQNUSA-N 2 2 301.459 3.877 20 0 DHADLP Clc1ccc(Cl)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1Cl ZINC000666855418 1031420228 /nfs/dbraw/zinc/42/02/28/1031420228.db2.gz QPKKYRJHAZVDLG-VIFPVBQESA-N 2 2 307.652 3.879 20 0 DHADLP Cc1cc([C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C2CC2)ccc1F ZINC000537015654 1031486578 /nfs/dbraw/zinc/48/65/78/1031486578.db2.gz HJMLGEKWEFPWBR-MSOLQXFVSA-N 2 2 322.493 3.612 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](COc2ccccc2)c2ccccc2)CC1 ZINC000537060926 1031493428 /nfs/dbraw/zinc/49/34/28/1031493428.db2.gz WKVRCWXHOFSFJS-OAQYLSRUSA-N 2 2 324.468 3.881 20 0 DHADLP Cc1nc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)sc1C ZINC001144378435 1031501438 /nfs/dbraw/zinc/50/14/38/1031501438.db2.gz MKTQDQSQXQDGKA-JKSUJKDBSA-N 2 2 307.507 3.599 20 0 DHADLP Cc1nc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)sc1C ZINC001144378435 1031501466 /nfs/dbraw/zinc/50/14/66/1031501466.db2.gz MKTQDQSQXQDGKA-JKSUJKDBSA-N 2 2 307.507 3.599 20 0 DHADLP Cc1nc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)sc1C ZINC001144378435 1031501479 /nfs/dbraw/zinc/50/14/79/1031501479.db2.gz MKTQDQSQXQDGKA-JKSUJKDBSA-N 2 2 307.507 3.599 20 0 DHADLP Cc1nc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)sc1C ZINC001144378435 1031501490 /nfs/dbraw/zinc/50/14/90/1031501490.db2.gz MKTQDQSQXQDGKA-JKSUJKDBSA-N 2 2 307.507 3.599 20 0 DHADLP COc1cccc2c(N3CCC(c4[nH]cc[nH+]4)CC3)cc(C)[nH+]c12 ZINC000360662960 1031509668 /nfs/dbraw/zinc/50/96/68/1031509668.db2.gz IIUNSRVZINZEHS-UHFFFAOYSA-N 2 2 322.412 3.659 20 0 DHADLP c1cn(C2CC[NH+](C[C@H]3CCC4(CCCCCC4)O3)CC2)c[nH+]1 ZINC000929803176 1031615125 /nfs/dbraw/zinc/61/51/25/1031615125.db2.gz CTXRJMWEKADRHE-GOSISDBHSA-N 2 2 317.477 3.792 20 0 DHADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CCC4(CCCCCC4)O3)CC2)[nH]1 ZINC000929803607 1031615247 /nfs/dbraw/zinc/61/52/47/1031615247.db2.gz KPUFUOYQELUPPT-KRWDZBQOSA-N 2 2 317.477 3.861 20 0 DHADLP Fc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1F ZINC000361057674 1031701669 /nfs/dbraw/zinc/70/16/69/1031701669.db2.gz NOYKUZKZLHXMFB-UHFFFAOYSA-N 2 2 319.399 3.854 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000873155455 1031730816 /nfs/dbraw/zinc/73/08/16/1031730816.db2.gz LRQOXZTXLMYVEG-UHFFFAOYSA-N 2 2 315.364 3.518 20 0 DHADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925498029 1031746738 /nfs/dbraw/zinc/74/67/38/1031746738.db2.gz AZCMWEYBKOQFKD-LSDHHAIUSA-N 2 2 321.534 3.699 20 0 DHADLP CC(C)(C)c1cnc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223918 1031763699 /nfs/dbraw/zinc/76/36/99/1031763699.db2.gz ULFOOJAHKMPESA-KRWDZBQOSA-N 2 2 309.523 3.638 20 0 DHADLP CC(C)(C)c1cnc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)s1 ZINC000873223918 1031763714 /nfs/dbraw/zinc/76/37/14/1031763714.db2.gz ULFOOJAHKMPESA-KRWDZBQOSA-N 2 2 309.523 3.638 20 0 DHADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccccc1 ZINC000361232201 1031802801 /nfs/dbraw/zinc/80/28/01/1031802801.db2.gz XQTJCGCQVAZNBA-GOSISDBHSA-N 2 2 304.478 3.617 20 0 DHADLP c1cc2cccc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)c2[nH]1 ZINC001144710977 1031854616 /nfs/dbraw/zinc/85/46/16/1031854616.db2.gz RJZNXYDZTTYEQM-UHFFFAOYSA-N 2 2 307.397 3.606 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC001144721705 1031906873 /nfs/dbraw/zinc/90/68/73/1031906873.db2.gz ZJIJROMRBHEQBX-KRWDZBQOSA-N 2 2 307.397 3.525 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC001144721705 1031906880 /nfs/dbraw/zinc/90/68/80/1031906880.db2.gz ZJIJROMRBHEQBX-KRWDZBQOSA-N 2 2 307.397 3.525 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000361601064 1032009243 /nfs/dbraw/zinc/00/92/43/1032009243.db2.gz IKRGGEQZIKDXEZ-LBPRGKRZSA-N 2 2 309.866 3.590 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000361601064 1032009261 /nfs/dbraw/zinc/00/92/61/1032009261.db2.gz IKRGGEQZIKDXEZ-LBPRGKRZSA-N 2 2 309.866 3.590 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1c3cc(F)ccc3C[C@@H]1C)CCC2 ZINC000361665607 1032045747 /nfs/dbraw/zinc/04/57/47/1032045747.db2.gz YHQKKZSTQTWKJD-XLWVJDPXSA-N 2 2 313.420 3.731 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCSC1 ZINC000539214161 1033298740 /nfs/dbraw/zinc/29/87/40/1033298740.db2.gz BEQRNEXNLPMMKC-IRXDYDNUSA-N 2 2 324.921 3.818 20 0 DHADLP Clc1nccc2oc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc21 ZINC000877491852 1033322672 /nfs/dbraw/zinc/32/26/72/1033322672.db2.gz PNUJFXHYIZINME-UHFFFAOYSA-N 2 2 319.836 3.588 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172724603 1033330187 /nfs/dbraw/zinc/33/01/87/1033330187.db2.gz OCLLNDJLNHCPIV-SFHVURJKSA-N 2 2 318.892 3.758 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000643523128 1033347997 /nfs/dbraw/zinc/34/79/97/1033347997.db2.gz XGIHHXGKOXSYHM-HIFRSBDPSA-N 2 2 301.459 3.603 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001172818334 1033380823 /nfs/dbraw/zinc/38/08/23/1033380823.db2.gz KATMAOCWPFMONE-SOAGJPPSSA-N 2 2 300.490 3.860 20 0 DHADLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001172818334 1033380832 /nfs/dbraw/zinc/38/08/32/1033380832.db2.gz KATMAOCWPFMONE-SOAGJPPSSA-N 2 2 300.490 3.860 20 0 DHADLP C[C@H](Cc1c(F)cccc1Cl)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001172838594 1033409350 /nfs/dbraw/zinc/40/93/50/1033409350.db2.gz XVQNPTOVJHZBSF-CQSZACIVSA-N 2 2 320.839 3.871 20 0 DHADLP C[C@H](Cc1c(F)cccc1Cl)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001172838594 1033409360 /nfs/dbraw/zinc/40/93/60/1033409360.db2.gz XVQNPTOVJHZBSF-CQSZACIVSA-N 2 2 320.839 3.871 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001172873113 1033447022 /nfs/dbraw/zinc/44/70/22/1033447022.db2.gz GBECKGAQNRECHR-ZIAGYGMSSA-N 2 2 312.910 3.895 20 0 DHADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)C1 ZINC001172927374 1033471609 /nfs/dbraw/zinc/47/16/09/1033471609.db2.gz XDMNFMGVZNIUGO-JSXRDJHFSA-N 2 2 324.468 3.975 20 0 DHADLP CO[C@H]1CCC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172929653 1033474315 /nfs/dbraw/zinc/47/43/15/1033474315.db2.gz GFTOJTUDBASQOY-UXHICEINSA-N 2 2 316.489 3.540 20 0 DHADLP CO[C@H]1CCC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172929653 1033474322 /nfs/dbraw/zinc/47/43/22/1033474322.db2.gz GFTOJTUDBASQOY-UXHICEINSA-N 2 2 316.489 3.540 20 0 DHADLP CCCOC1CCC([N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001173101098 1033539899 /nfs/dbraw/zinc/53/98/99/1033539899.db2.gz GKEGHHQYTKKWPQ-ABHNRTSZSA-N 2 2 318.461 3.581 20 0 DHADLP CCCOC1CCC([N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001173101098 1033539911 /nfs/dbraw/zinc/53/99/11/1033539911.db2.gz GKEGHHQYTKKWPQ-ABHNRTSZSA-N 2 2 318.461 3.581 20 0 DHADLP CCc1ccc(C[C@H](C)[N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001173247922 1033619987 /nfs/dbraw/zinc/61/99/87/1033619987.db2.gz DDHXKLOXXIQYLB-KKSFZXQISA-N 2 2 308.469 3.566 20 0 DHADLP CCc1ccc(C[C@H](C)[N@H+]2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001173247922 1033619991 /nfs/dbraw/zinc/61/99/91/1033619991.db2.gz DDHXKLOXXIQYLB-KKSFZXQISA-N 2 2 308.469 3.566 20 0 DHADLP CCc1ccc(C[C@@H](C)[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001173239594 1033647386 /nfs/dbraw/zinc/64/73/86/1033647386.db2.gz IRKSCBPQXOETAW-QGZVFWFLSA-N 2 2 312.501 3.598 20 0 DHADLP CCc1ccc(C[C@@H](C)[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001173239594 1033647394 /nfs/dbraw/zinc/64/73/94/1033647394.db2.gz IRKSCBPQXOETAW-QGZVFWFLSA-N 2 2 312.501 3.598 20 0 DHADLP CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001173276882 1033669273 /nfs/dbraw/zinc/66/92/73/1033669273.db2.gz WGLTTYQWUHYZKR-QAPCUYQASA-N 2 2 302.462 3.525 20 0 DHADLP C[C@H]([NH2+]Cc1scnc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411720 1033693865 /nfs/dbraw/zinc/69/38/65/1033693865.db2.gz NNRCQAFOHATDMZ-NWDGAFQWSA-N 2 2 313.898 3.539 20 0 DHADLP C[C@H]([NH2+]Cc1scnc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411720 1033693873 /nfs/dbraw/zinc/69/38/73/1033693873.db2.gz NNRCQAFOHATDMZ-NWDGAFQWSA-N 2 2 313.898 3.539 20 0 DHADLP Fc1ccc(C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)cc1 ZINC000667463655 1033708371 /nfs/dbraw/zinc/70/83/71/1033708371.db2.gz WCOMQTSLTVLWDU-UHFFFAOYSA-N 2 2 322.387 3.571 20 0 DHADLP Fc1ccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C2CC2)cc1 ZINC000667463655 1033708375 /nfs/dbraw/zinc/70/83/75/1033708375.db2.gz WCOMQTSLTVLWDU-UHFFFAOYSA-N 2 2 322.387 3.571 20 0 DHADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)n1cc[nH+]c1CC[NH3+] ZINC001173544558 1033764646 /nfs/dbraw/zinc/76/46/46/1033764646.db2.gz SOJXIRGJBLGUEN-NSHDSACASA-N 2 2 312.244 3.885 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1C ZINC000667494452 1033769411 /nfs/dbraw/zinc/76/94/11/1033769411.db2.gz BDDLRSFITBRBGP-OAQYLSRUSA-N 2 2 317.436 3.876 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1C ZINC000667494452 1033769427 /nfs/dbraw/zinc/76/94/27/1033769427.db2.gz BDDLRSFITBRBGP-OAQYLSRUSA-N 2 2 317.436 3.876 20 0 DHADLP CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1F ZINC000667514865 1033816844 /nfs/dbraw/zinc/81/68/44/1033816844.db2.gz NKPDOXGZOBLNDO-UHFFFAOYSA-N 2 2 324.403 3.819 20 0 DHADLP CCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1F ZINC000667514865 1033816863 /nfs/dbraw/zinc/81/68/63/1033816863.db2.gz NKPDOXGZOBLNDO-UHFFFAOYSA-N 2 2 324.403 3.819 20 0 DHADLP C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000553760989 1033820856 /nfs/dbraw/zinc/82/08/56/1033820856.db2.gz KGOFDJGVSWFYPP-ZWKOTPCHSA-N 2 2 315.505 3.508 20 0 DHADLP C[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000553760989 1033820865 /nfs/dbraw/zinc/82/08/65/1033820865.db2.gz KGOFDJGVSWFYPP-ZWKOTPCHSA-N 2 2 315.505 3.508 20 0 DHADLP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC(C)(C)[NH+](C)C)cc1F ZINC000479871227 1033930186 /nfs/dbraw/zinc/93/01/86/1033930186.db2.gz CYCDUZLKIRSWKJ-NVXWUHKLSA-N 2 2 322.468 3.790 20 0 DHADLP C[C@H](c1cccnc1)[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020055 1034186406 /nfs/dbraw/zinc/18/64/06/1034186406.db2.gz BPIKUBFZIYXVBG-JRGCBEDISA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1cccnc1)[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020055 1034186411 /nfs/dbraw/zinc/18/64/11/1034186411.db2.gz BPIKUBFZIYXVBG-JRGCBEDISA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1cccnc1)[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020055 1034186419 /nfs/dbraw/zinc/18/64/19/1034186419.db2.gz BPIKUBFZIYXVBG-JRGCBEDISA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1cccnc1)[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020055 1034186424 /nfs/dbraw/zinc/18/64/24/1034186424.db2.gz BPIKUBFZIYXVBG-JRGCBEDISA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1ccncc1)[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020855 1034189183 /nfs/dbraw/zinc/18/91/83/1034189183.db2.gz RDUHMHAHTCYVFH-JRGCBEDISA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1ccncc1)[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020855 1034189191 /nfs/dbraw/zinc/18/91/91/1034189191.db2.gz RDUHMHAHTCYVFH-JRGCBEDISA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020855 1034189200 /nfs/dbraw/zinc/18/92/00/1034189200.db2.gz RDUHMHAHTCYVFH-JRGCBEDISA-N 2 2 321.468 3.597 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020855 1034189208 /nfs/dbraw/zinc/18/92/08/1034189208.db2.gz RDUHMHAHTCYVFH-JRGCBEDISA-N 2 2 321.468 3.597 20 0 DHADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136291 1034221443 /nfs/dbraw/zinc/22/14/43/1034221443.db2.gz JLTRCTSOZFQLRJ-WUCCLRPBSA-N 2 2 304.400 3.524 20 0 DHADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136291 1034221456 /nfs/dbraw/zinc/22/14/56/1034221456.db2.gz JLTRCTSOZFQLRJ-WUCCLRPBSA-N 2 2 304.400 3.524 20 0 DHADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136291 1034221471 /nfs/dbraw/zinc/22/14/71/1034221471.db2.gz JLTRCTSOZFQLRJ-WUCCLRPBSA-N 2 2 304.400 3.524 20 0 DHADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC(C(F)(F)F)CC1 ZINC000880136291 1034221482 /nfs/dbraw/zinc/22/14/82/1034221482.db2.gz JLTRCTSOZFQLRJ-WUCCLRPBSA-N 2 2 304.400 3.524 20 0 DHADLP Cc1cn2c(cccc2NC2=CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC001174392941 1034313261 /nfs/dbraw/zinc/31/32/61/1034313261.db2.gz NMIDOHACFTWDPE-UHFFFAOYSA-N 2 2 318.424 3.844 20 0 DHADLP Cc1cn2c(cccc2NC2=CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC001174392941 1034313278 /nfs/dbraw/zinc/31/32/78/1034313278.db2.gz NMIDOHACFTWDPE-UHFFFAOYSA-N 2 2 318.424 3.844 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000480561582 1034316947 /nfs/dbraw/zinc/31/69/47/1034316947.db2.gz GMVOHWFVCICUCB-XJKCOSOUSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000480561582 1034316963 /nfs/dbraw/zinc/31/69/63/1034316963.db2.gz GMVOHWFVCICUCB-XJKCOSOUSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000480561582 1034316979 /nfs/dbraw/zinc/31/69/79/1034316979.db2.gz GMVOHWFVCICUCB-XJKCOSOUSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000480561582 1034316993 /nfs/dbraw/zinc/31/69/93/1034316993.db2.gz GMVOHWFVCICUCB-XJKCOSOUSA-N 2 2 310.844 3.956 20 0 DHADLP COc1ccc(C(C)C)cc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474514 1034344744 /nfs/dbraw/zinc/34/47/44/1034344744.db2.gz IXLSLMWXNIXRPK-UHFFFAOYSA-N 2 2 316.489 3.879 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472409 1034344818 /nfs/dbraw/zinc/34/48/18/1034344818.db2.gz NCTGKUHBXVUXOT-AWEZNQCLSA-N 2 2 324.415 3.909 20 0 DHADLP CC1(C)CCC[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)O1 ZINC000880569925 1034364150 /nfs/dbraw/zinc/36/41/50/1034364150.db2.gz LRXAHLVGAHKEHW-MSOLQXFVSA-N 2 2 313.445 3.562 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000567484905 1034426310 /nfs/dbraw/zinc/42/63/10/1034426310.db2.gz GJVHXHRHTIBSTO-WHOHXGKFSA-N 2 2 321.877 3.764 20 0 DHADLP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(Cl)c1 ZINC000480924136 1034510977 /nfs/dbraw/zinc/51/09/77/1034510977.db2.gz DNWVJVPBEAPQOC-UHFFFAOYSA-N 2 2 310.869 3.560 20 0 DHADLP COc1ccsc1[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000186149124 1034604934 /nfs/dbraw/zinc/60/49/34/1034604934.db2.gz FHLBKBSSVCYQMP-ZDUSSCGKSA-N 2 2 305.447 3.695 20 0 DHADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCCNc3ccccc32)c[nH+]1 ZINC000186406052 1034626446 /nfs/dbraw/zinc/62/64/46/1034626446.db2.gz HPHQZHNHDVXJBN-IBGZPJMESA-N 2 2 318.424 3.909 20 0 DHADLP C[NH+]1CCN(c2ccc(Nc3[nH+]ccc4ccccc43)cc2)CC1 ZINC001174812999 1034635355 /nfs/dbraw/zinc/63/53/55/1034635355.db2.gz RRNLZBNWZOGBOA-UHFFFAOYSA-N 2 2 318.424 3.730 20 0 DHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000865451240 1034653367 /nfs/dbraw/zinc/65/33/67/1034653367.db2.gz ZXGTYUFVLRRCPO-CQSZACIVSA-N 2 2 309.523 3.651 20 0 DHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2nc(C(C)(C)C)cs2)C1 ZINC000865451240 1034653376 /nfs/dbraw/zinc/65/33/76/1034653376.db2.gz ZXGTYUFVLRRCPO-CQSZACIVSA-N 2 2 309.523 3.651 20 0 DHADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000187132225 1034691714 /nfs/dbraw/zinc/69/17/14/1034691714.db2.gz INNNZJOJXVAQFB-PXNSSMCTSA-N 2 2 313.489 3.628 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193014098 1034825956 /nfs/dbraw/zinc/82/59/56/1034825956.db2.gz PWZOZSYZQAFWAV-UHFFFAOYSA-N 2 2 319.474 3.756 20 0 DHADLP C(CC1CCCCC1)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001175830257 1035126491 /nfs/dbraw/zinc/12/64/91/1035126491.db2.gz JIQVSULJHNXFGG-IBGZPJMESA-N 2 2 308.510 3.580 20 0 DHADLP C(CC1CCCCC1)C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001175830257 1035126494 /nfs/dbraw/zinc/12/64/94/1035126494.db2.gz JIQVSULJHNXFGG-IBGZPJMESA-N 2 2 308.510 3.580 20 0 DHADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccccc2CF)CC1 ZINC001175965499 1035168591 /nfs/dbraw/zinc/16/85/91/1035168591.db2.gz KSJMERUWLNWEKI-UHFFFAOYSA-N 2 2 304.453 3.997 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000482830173 1035184035 /nfs/dbraw/zinc/18/40/35/1035184035.db2.gz VEWLKZILOCLWHA-CZUORRHYSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000482830173 1035184041 /nfs/dbraw/zinc/18/40/41/1035184041.db2.gz VEWLKZILOCLWHA-CZUORRHYSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000482830173 1035184045 /nfs/dbraw/zinc/18/40/45/1035184045.db2.gz VEWLKZILOCLWHA-CZUORRHYSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2OC)[C@H](C)C1 ZINC000482830173 1035184049 /nfs/dbraw/zinc/18/40/49/1035184049.db2.gz VEWLKZILOCLWHA-CZUORRHYSA-N 2 2 310.869 3.511 20 0 DHADLP C[C@H](CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000194590077 1035222091 /nfs/dbraw/zinc/22/20/91/1035222091.db2.gz OZDWEOVMAPOJGS-QZTJIDSGSA-N 2 2 311.473 3.868 20 0 DHADLP C[C@H](CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000194590077 1035222097 /nfs/dbraw/zinc/22/20/97/1035222097.db2.gz OZDWEOVMAPOJGS-QZTJIDSGSA-N 2 2 311.473 3.868 20 0 DHADLP C[NH+](C)CCOc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001176229877 1035228490 /nfs/dbraw/zinc/22/84/90/1035228490.db2.gz UEBMRNSZDXKXCC-UHFFFAOYSA-N 2 2 322.412 3.556 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176274256 1035232144 /nfs/dbraw/zinc/23/21/44/1035232144.db2.gz SPELNHLPRJHRDM-KBPBESRZSA-N 2 2 317.383 3.632 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176274256 1035232149 /nfs/dbraw/zinc/23/21/49/1035232149.db2.gz SPELNHLPRJHRDM-KBPBESRZSA-N 2 2 317.383 3.632 20 0 DHADLP c1cn(-c2cccc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)c2)c[nH+]1 ZINC000483135764 1035232886 /nfs/dbraw/zinc/23/28/86/1035232886.db2.gz PVHFXPPQNQKAPV-NRFANRHFSA-N 2 2 317.436 3.983 20 0 DHADLP C[NH+](C)Cc1ccc(Nc2cc(OC(F)(F)F)cc[nH+]2)cc1 ZINC001176290282 1035235621 /nfs/dbraw/zinc/23/56/21/1035235621.db2.gz ASTSZDYYDCSBEL-UHFFFAOYSA-N 2 2 311.307 3.785 20 0 DHADLP CC/C=C\CC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001176496780 1035280783 /nfs/dbraw/zinc/28/07/83/1035280783.db2.gz SNSCTZHTHBGHCP-ARJAWSKDSA-N 2 2 316.489 3.567 20 0 DHADLP CC/C=C\CC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001176496780 1035280789 /nfs/dbraw/zinc/28/07/89/1035280789.db2.gz SNSCTZHTHBGHCP-ARJAWSKDSA-N 2 2 316.489 3.567 20 0 DHADLP CC/C=C\CC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001176496780 1035280794 /nfs/dbraw/zinc/28/07/94/1035280794.db2.gz SNSCTZHTHBGHCP-ARJAWSKDSA-N 2 2 316.489 3.567 20 0 DHADLP CC/C=C\CC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001176496780 1035280797 /nfs/dbraw/zinc/28/07/97/1035280797.db2.gz SNSCTZHTHBGHCP-ARJAWSKDSA-N 2 2 316.489 3.567 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000483728092 1035295705 /nfs/dbraw/zinc/29/57/05/1035295705.db2.gz NMJPNCUYMQNHFH-GVXVVHGQSA-N 2 2 316.367 3.560 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000483728092 1035295711 /nfs/dbraw/zinc/29/57/11/1035295711.db2.gz NMJPNCUYMQNHFH-GVXVVHGQSA-N 2 2 316.367 3.560 20 0 DHADLP COC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000484142311 1035320433 /nfs/dbraw/zinc/32/04/33/1035320433.db2.gz ZJURRJMOEQQARS-APWZRJJASA-N 2 2 316.489 3.665 20 0 DHADLP CC[C@H](COC)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000484137035 1035322279 /nfs/dbraw/zinc/32/22/79/1035322279.db2.gz RRMGNOSIDIOLPB-FUHWJXTLSA-N 2 2 304.478 3.665 20 0 DHADLP CC[C@@H](COC)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000484137032 1035322329 /nfs/dbraw/zinc/32/23/29/1035322329.db2.gz RRMGNOSIDIOLPB-AEFFLSMTSA-N 2 2 304.478 3.665 20 0 DHADLP Cn1c[nH+]cc1C1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC001176977378 1035341505 /nfs/dbraw/zinc/34/15/05/1035341505.db2.gz KIMJWWZQQSYOEI-KRWDZBQOSA-N 2 2 315.848 3.940 20 0 DHADLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC001176978522 1035341887 /nfs/dbraw/zinc/34/18/87/1035341887.db2.gz SXFLBZFNDLBJAK-UHFFFAOYSA-N 2 2 307.800 3.592 20 0 DHADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000484473906 1035344397 /nfs/dbraw/zinc/34/43/97/1035344397.db2.gz JBPDVEJLAQLWNS-RZQQEMMASA-N 2 2 309.457 3.739 20 0 DHADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000484473906 1035344402 /nfs/dbraw/zinc/34/44/02/1035344402.db2.gz JBPDVEJLAQLWNS-RZQQEMMASA-N 2 2 309.457 3.739 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC001177061914 1035346828 /nfs/dbraw/zinc/34/68/28/1035346828.db2.gz WEBSHPHPUTUPQL-AQNXPRMDSA-N 2 2 316.489 3.617 20 0 DHADLP Cc1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cnc1Cl ZINC001177136049 1035352306 /nfs/dbraw/zinc/35/23/06/1035352306.db2.gz GEXMKJCDMFDKPX-UHFFFAOYSA-N 2 2 317.864 3.655 20 0 DHADLP Cc1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cnc1Cl ZINC001177136049 1035352311 /nfs/dbraw/zinc/35/23/11/1035352311.db2.gz GEXMKJCDMFDKPX-UHFFFAOYSA-N 2 2 317.864 3.655 20 0 DHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nccs1 ZINC001177256639 1035359971 /nfs/dbraw/zinc/35/99/71/1035359971.db2.gz KIMRZMYFRNWJKM-HNNXBMFYSA-N 2 2 315.486 3.807 20 0 DHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nccs1 ZINC001177256639 1035359974 /nfs/dbraw/zinc/35/99/74/1035359974.db2.gz KIMRZMYFRNWJKM-HNNXBMFYSA-N 2 2 315.486 3.807 20 0 DHADLP c1cn(-c2ccc(C[NH2+]Cc3cccc4ncccc34)cc2)c[nH+]1 ZINC001177566171 1035381117 /nfs/dbraw/zinc/38/11/17/1035381117.db2.gz PNWMICBWKYZZMA-UHFFFAOYSA-N 2 2 314.392 3.710 20 0 DHADLP Cc1ccncc1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001178791276 1035448121 /nfs/dbraw/zinc/44/81/21/1035448121.db2.gz VUGJZUYDOPWLPW-UHFFFAOYSA-N 2 2 312.804 3.519 20 0 DHADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(F)cc(F)c1 ZINC001204231282 1035452732 /nfs/dbraw/zinc/45/27/32/1035452732.db2.gz ZYLLIUCCTSYKQD-ZWKOTPCHSA-N 2 2 308.416 3.804 20 0 DHADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(F)cc(F)c1 ZINC001204231282 1035452734 /nfs/dbraw/zinc/45/27/34/1035452734.db2.gz ZYLLIUCCTSYKQD-ZWKOTPCHSA-N 2 2 308.416 3.804 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001204231282 1035452737 /nfs/dbraw/zinc/45/27/37/1035452737.db2.gz ZYLLIUCCTSYKQD-ZWKOTPCHSA-N 2 2 308.416 3.804 20 0 DHADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001204231282 1035452738 /nfs/dbraw/zinc/45/27/38/1035452738.db2.gz ZYLLIUCCTSYKQD-ZWKOTPCHSA-N 2 2 308.416 3.804 20 0 DHADLP C[C@@H]1Cc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)ccc2O1 ZINC001179169329 1035468115 /nfs/dbraw/zinc/46/81/15/1035468115.db2.gz XVYMLKSGUKCOQL-BEFAXECRSA-N 2 2 314.473 3.507 20 0 DHADLP C[C@@H]1Cc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)ccc2O1 ZINC001179169329 1035468117 /nfs/dbraw/zinc/46/81/17/1035468117.db2.gz XVYMLKSGUKCOQL-BEFAXECRSA-N 2 2 314.473 3.507 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC001192930697 1035521498 /nfs/dbraw/zinc/52/14/98/1035521498.db2.gz XWAIVMOYFOCCDC-SJORKVTESA-N 2 2 303.494 3.891 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC001192930697 1035521508 /nfs/dbraw/zinc/52/15/08/1035521508.db2.gz XWAIVMOYFOCCDC-SJORKVTESA-N 2 2 303.494 3.891 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(CC(C)C)nc2)C[C@@H]1C ZINC001179898514 1035522677 /nfs/dbraw/zinc/52/26/77/1035522677.db2.gz OYGURDTYUXMQSA-LPHOPBHVSA-N 2 2 303.494 3.585 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CC(C)C)nc2)C[C@@H]1C ZINC001179898514 1035522686 /nfs/dbraw/zinc/52/26/86/1035522686.db2.gz OYGURDTYUXMQSA-LPHOPBHVSA-N 2 2 303.494 3.585 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CC(C)C)nc2)C[C@@H]1C ZINC001179898514 1035522694 /nfs/dbraw/zinc/52/26/94/1035522694.db2.gz OYGURDTYUXMQSA-LPHOPBHVSA-N 2 2 303.494 3.585 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CC(C)C)nc2)C[C@@H]1C ZINC001179898514 1035522700 /nfs/dbraw/zinc/52/27/00/1035522700.db2.gz OYGURDTYUXMQSA-LPHOPBHVSA-N 2 2 303.494 3.585 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000668459443 1035527928 /nfs/dbraw/zinc/52/79/28/1035527928.db2.gz UUHQRPFUCJQPSG-VJFUWPCTSA-N 2 2 316.489 3.881 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC(c3ccc(O)cc3)CC2)C1 ZINC000668459443 1035527930 /nfs/dbraw/zinc/52/79/30/1035527930.db2.gz UUHQRPFUCJQPSG-VJFUWPCTSA-N 2 2 316.489 3.881 20 0 DHADLP CC1(C)CCC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)O1 ZINC001193336643 1035608182 /nfs/dbraw/zinc/60/81/82/1035608182.db2.gz XMJNWGWZIZZPDW-GOSISDBHSA-N 2 2 319.493 3.723 20 0 DHADLP CCOc1cc(F)cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001180146950 1035611090 /nfs/dbraw/zinc/61/10/90/1035611090.db2.gz BGUNCVHBRWBFDY-GOSISDBHSA-N 2 2 320.452 3.675 20 0 DHADLP CCOc1cc(F)cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001180146950 1035611094 /nfs/dbraw/zinc/61/10/94/1035611094.db2.gz BGUNCVHBRWBFDY-GOSISDBHSA-N 2 2 320.452 3.675 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnc2ccsc2c1 ZINC000223581535 1035629002 /nfs/dbraw/zinc/62/90/02/1035629002.db2.gz RVINWVZKMNIPLH-NOLJZWGESA-N 2 2 301.459 3.574 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cnc2ccsc2c1 ZINC000223581535 1035629008 /nfs/dbraw/zinc/62/90/08/1035629008.db2.gz RVINWVZKMNIPLH-NOLJZWGESA-N 2 2 301.459 3.574 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001180786234 1035757722 /nfs/dbraw/zinc/75/77/22/1035757722.db2.gz CSRHWVKMEGJHNJ-RCCFBDPRSA-N 2 2 303.494 3.891 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001180786234 1035757728 /nfs/dbraw/zinc/75/77/28/1035757728.db2.gz CSRHWVKMEGJHNJ-RCCFBDPRSA-N 2 2 303.494 3.891 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc(-c4ccccc4)cs3)[C@H]2C1 ZINC000495092594 1036239700 /nfs/dbraw/zinc/23/97/00/1036239700.db2.gz XGFQDDWQEHXDRP-APWZRJJASA-N 2 2 312.482 3.941 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc(-c4ccccc4)cs3)[C@H]2C1 ZINC000495092594 1036239710 /nfs/dbraw/zinc/23/97/10/1036239710.db2.gz XGFQDDWQEHXDRP-APWZRJJASA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)cs3)[C@H]2C1 ZINC000495092594 1036239728 /nfs/dbraw/zinc/23/97/28/1036239728.db2.gz XGFQDDWQEHXDRP-APWZRJJASA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)cs3)[C@H]2C1 ZINC000495092594 1036239745 /nfs/dbraw/zinc/23/97/45/1036239745.db2.gz XGFQDDWQEHXDRP-APWZRJJASA-N 2 2 312.482 3.941 20 0 DHADLP Cc1ccc(-c2ccc(C[NH+]3CC[C@H]4CC[N@@H+](C)C[C@@H]43)o2)cc1 ZINC000495110369 1036258808 /nfs/dbraw/zinc/25/88/08/1036258808.db2.gz SNPLSDFFVPOFAO-APWZRJJASA-N 2 2 310.441 3.781 20 0 DHADLP Cc1ccc(-c2ccc(C[NH+]3CC[C@H]4CC[N@H+](C)C[C@@H]43)o2)cc1 ZINC000495110369 1036258816 /nfs/dbraw/zinc/25/88/16/1036258816.db2.gz SNPLSDFFVPOFAO-APWZRJJASA-N 2 2 310.441 3.781 20 0 DHADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)o2)cc1 ZINC000495110369 1036258827 /nfs/dbraw/zinc/25/88/27/1036258827.db2.gz SNPLSDFFVPOFAO-APWZRJJASA-N 2 2 310.441 3.781 20 0 DHADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4CC[NH+](C)C[C@@H]43)o2)cc1 ZINC000495110369 1036258836 /nfs/dbraw/zinc/25/88/36/1036258836.db2.gz SNPLSDFFVPOFAO-APWZRJJASA-N 2 2 310.441 3.781 20 0 DHADLP [NH3+]CC1CC[NH+](Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000260640847 1036289645 /nfs/dbraw/zinc/28/96/45/1036289645.db2.gz VGOCODTUYWSLFM-UHFFFAOYSA-N 2 2 307.652 3.818 20 0 DHADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(OC4CCCC4)c3)[C@@H]2C1 ZINC000495149696 1036294495 /nfs/dbraw/zinc/29/44/95/1036294495.db2.gz SHRZPPZLKNBDBL-FXAWDEMLSA-N 2 2 314.473 3.534 20 0 DHADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(OC4CCCC4)c3)[C@@H]2C1 ZINC000495149696 1036294509 /nfs/dbraw/zinc/29/45/09/1036294509.db2.gz SHRZPPZLKNBDBL-FXAWDEMLSA-N 2 2 314.473 3.534 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(OC4CCCC4)c3)[C@@H]2C1 ZINC000495149696 1036294524 /nfs/dbraw/zinc/29/45/24/1036294524.db2.gz SHRZPPZLKNBDBL-FXAWDEMLSA-N 2 2 314.473 3.534 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(OC4CCCC4)c3)[C@@H]2C1 ZINC000495149696 1036294535 /nfs/dbraw/zinc/29/45/35/1036294535.db2.gz SHRZPPZLKNBDBL-FXAWDEMLSA-N 2 2 314.473 3.534 20 0 DHADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001182633494 1036404515 /nfs/dbraw/zinc/40/45/15/1036404515.db2.gz BGZXCGDINGCLKC-LZQZEXGQSA-N 2 2 312.457 3.970 20 0 DHADLP C[C@H](Cc1coc2ccccc12)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001182633494 1036404522 /nfs/dbraw/zinc/40/45/22/1036404522.db2.gz BGZXCGDINGCLKC-LZQZEXGQSA-N 2 2 312.457 3.970 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001182635249 1036405235 /nfs/dbraw/zinc/40/52/35/1036405235.db2.gz YHSQYONWPXUXCT-JLSDUUJJSA-N 2 2 306.881 3.878 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001182635249 1036405246 /nfs/dbraw/zinc/40/52/46/1036405246.db2.gz YHSQYONWPXUXCT-JLSDUUJJSA-N 2 2 306.881 3.878 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001182635250 1036405340 /nfs/dbraw/zinc/40/53/40/1036405340.db2.gz YHSQYONWPXUXCT-OLMNPRSZSA-N 2 2 306.881 3.878 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001182635250 1036405350 /nfs/dbraw/zinc/40/53/50/1036405350.db2.gz YHSQYONWPXUXCT-OLMNPRSZSA-N 2 2 306.881 3.878 20 0 DHADLP CSCCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090186654 1036413084 /nfs/dbraw/zinc/41/30/84/1036413084.db2.gz ORPYCDSLQUJDDO-QGZVFWFLSA-N 2 2 306.519 3.772 20 0 DHADLP CSCCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090186654 1036413096 /nfs/dbraw/zinc/41/30/96/1036413096.db2.gz ORPYCDSLQUJDDO-QGZVFWFLSA-N 2 2 306.519 3.772 20 0 DHADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000541771113 1036428690 /nfs/dbraw/zinc/42/86/90/1036428690.db2.gz MKGCOEUGBVYSMD-LKIHTYOGSA-N 2 2 320.427 3.928 20 0 DHADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000541771113 1036428697 /nfs/dbraw/zinc/42/86/97/1036428697.db2.gz MKGCOEUGBVYSMD-LKIHTYOGSA-N 2 2 320.427 3.928 20 0 DHADLP CSc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000541894231 1036455226 /nfs/dbraw/zinc/45/52/26/1036455226.db2.gz DDDCKBNVZUDEHU-UHFFFAOYSA-N 2 2 313.470 3.880 20 0 DHADLP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C[C@H]1OC ZINC001182918044 1036483075 /nfs/dbraw/zinc/48/30/75/1036483075.db2.gz IESWMGKPUHMINR-RCCFBDPRSA-N 2 2 308.510 3.577 20 0 DHADLP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C[C@H]1OC ZINC001182918044 1036483083 /nfs/dbraw/zinc/48/30/83/1036483083.db2.gz IESWMGKPUHMINR-RCCFBDPRSA-N 2 2 308.510 3.577 20 0 DHADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001206550042 1036496692 /nfs/dbraw/zinc/49/66/92/1036496692.db2.gz UAZCCADPUZTVCH-OAHLLOKOSA-N 2 2 301.261 3.944 20 0 DHADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC001206550042 1036496699 /nfs/dbraw/zinc/49/66/99/1036496699.db2.gz UAZCCADPUZTVCH-OAHLLOKOSA-N 2 2 301.261 3.944 20 0 DHADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001183046637 1036506897 /nfs/dbraw/zinc/50/68/97/1036506897.db2.gz YIFCXPBQIDVVAB-ZOBORPQBSA-N 2 2 312.910 3.967 20 0 DHADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001183046637 1036506906 /nfs/dbraw/zinc/50/69/06/1036506906.db2.gz YIFCXPBQIDVVAB-ZOBORPQBSA-N 2 2 312.910 3.967 20 0 DHADLP c1nc(C2CCCCC2)sc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569722901 1036553494 /nfs/dbraw/zinc/55/34/94/1036553494.db2.gz DUYBEAIJHJJKJD-SFHVURJKSA-N 2 2 319.518 3.766 20 0 DHADLP c1nc(C2CCCCC2)sc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569722901 1036553514 /nfs/dbraw/zinc/55/35/14/1036553514.db2.gz DUYBEAIJHJJKJD-SFHVURJKSA-N 2 2 319.518 3.766 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000131228445 1036586260 /nfs/dbraw/zinc/58/62/60/1036586260.db2.gz GABMYOFCHMHDNC-QFBILLFUSA-N 2 2 309.457 3.752 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000131228445 1036586274 /nfs/dbraw/zinc/58/62/74/1036586274.db2.gz GABMYOFCHMHDNC-QFBILLFUSA-N 2 2 309.457 3.752 20 0 DHADLP C[C@@H]([NH2+]C1Cc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151701772 1036610550 /nfs/dbraw/zinc/61/05/50/1036610550.db2.gz KYGFAKWFPMGUOJ-OAHLLOKOSA-N 2 2 303.409 3.690 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1C(F)(F)F ZINC000315788615 1037056866 /nfs/dbraw/zinc/05/68/66/1037056866.db2.gz YGEQOERPFNTWBY-APHBMKBZSA-N 2 2 312.379 3.983 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1C(F)(F)F ZINC000315788615 1037056869 /nfs/dbraw/zinc/05/68/69/1037056869.db2.gz YGEQOERPFNTWBY-APHBMKBZSA-N 2 2 312.379 3.983 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2cccc(F)c2)C1 ZINC001168501209 1037235778 /nfs/dbraw/zinc/23/57/78/1037235778.db2.gz PZQNKGMZCLQIKZ-MAUKXSAKSA-N 2 2 314.404 3.613 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)Cc2cccc(F)c2)C1 ZINC001168501209 1037235795 /nfs/dbraw/zinc/23/57/95/1037235795.db2.gz PZQNKGMZCLQIKZ-MAUKXSAKSA-N 2 2 314.404 3.613 20 0 DHADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397335378 1037283744 /nfs/dbraw/zinc/28/37/44/1037283744.db2.gz BGYGJCZXQKPFOU-BZPMIXESSA-N 2 2 319.474 3.517 20 0 DHADLP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397335378 1037283759 /nfs/dbraw/zinc/28/37/59/1037283759.db2.gz BGYGJCZXQKPFOU-BZPMIXESSA-N 2 2 319.474 3.517 20 0 DHADLP CCCOc1cc(C)ccc1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001200989724 1037498106 /nfs/dbraw/zinc/49/81/06/1037498106.db2.gz QRIMRSLURFGTJR-UHFFFAOYSA-N 2 2 313.445 3.535 20 0 DHADLP C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348837392 1037537869 /nfs/dbraw/zinc/53/78/69/1037537869.db2.gz HQPFROHJTQFBHF-PBHICJAKSA-N 2 2 315.486 3.788 20 0 DHADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000493889396 1037583193 /nfs/dbraw/zinc/58/31/93/1037583193.db2.gz VBGDYDYPWVHWBS-UZLBHIALSA-N 2 2 321.424 3.738 20 0 DHADLP CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000152836952 1037611385 /nfs/dbraw/zinc/61/13/85/1037611385.db2.gz PHBMJBHXMZQIOQ-HOTGVXAUSA-N 2 2 303.494 3.746 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000494058386 1037631296 /nfs/dbraw/zinc/63/12/96/1037631296.db2.gz FWRWKQSIGWHDQC-HNNXBMFYSA-N 2 2 301.459 3.508 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCS[C@@H](C)CC1 ZINC000494058386 1037631320 /nfs/dbraw/zinc/63/13/20/1037631320.db2.gz FWRWKQSIGWHDQC-HNNXBMFYSA-N 2 2 301.459 3.508 20 0 DHADLP CC(C)(C)OCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694707 1039126918 /nfs/dbraw/zinc/12/69/18/1039126918.db2.gz DSIDCTXAPMOPSB-INIZCTEOSA-N 2 2 319.493 3.604 20 0 DHADLP CC(C)(C)OCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694707 1039126931 /nfs/dbraw/zinc/12/69/31/1039126931.db2.gz DSIDCTXAPMOPSB-INIZCTEOSA-N 2 2 319.493 3.604 20 0 DHADLP C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694836 1039134276 /nfs/dbraw/zinc/13/42/76/1039134276.db2.gz JUXCCVPGRSXTCU-DOTOQJQBSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@@H](c1ccncc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694836 1039134279 /nfs/dbraw/zinc/13/42/79/1039134279.db2.gz JUXCCVPGRSXTCU-DOTOQJQBSA-N 2 2 310.445 3.555 20 0 DHADLP CCSC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000595099626 1040062838 /nfs/dbraw/zinc/06/28/38/1040062838.db2.gz MKJULTORJWPJTG-AWEZNQCLSA-N 2 2 301.459 3.809 20 0 DHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000607358052 1040149704 /nfs/dbraw/zinc/14/97/04/1040149704.db2.gz UABCUSPHVACQBS-DOTOQJQBSA-N 2 2 322.412 3.936 20 0 DHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000607358052 1040149709 /nfs/dbraw/zinc/14/97/09/1040149709.db2.gz UABCUSPHVACQBS-DOTOQJQBSA-N 2 2 322.412 3.936 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC[N@@H+]1C ZINC000608061396 1040357398 /nfs/dbraw/zinc/35/73/98/1040357398.db2.gz SWMVPOKMTVTYQI-CHWSQXEVSA-N 2 2 320.383 3.797 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC[N@H+]1C ZINC000608061396 1040357413 /nfs/dbraw/zinc/35/74/13/1040357413.db2.gz SWMVPOKMTVTYQI-CHWSQXEVSA-N 2 2 320.383 3.797 20 0 DHADLP Cc1ccsc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608074057 1040364527 /nfs/dbraw/zinc/36/45/27/1040364527.db2.gz RFLUBINZPCBFRO-INIZCTEOSA-N 2 2 311.454 3.864 20 0 DHADLP CSC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000602921548 1041318970 /nfs/dbraw/zinc/31/89/70/1041318970.db2.gz SZDFRRRWYVLXHM-UHFFFAOYSA-N 2 2 301.459 3.508 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@@H]1c1cccnc1 ZINC000328627235 529794415 /nfs/dbraw/zinc/79/44/15/529794415.db2.gz FXAXCCMFTIQSKQ-FFGOWVMKSA-N 2 2 313.489 3.633 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)[C@@H]1c1cccnc1 ZINC000328627235 529794416 /nfs/dbraw/zinc/79/44/16/529794416.db2.gz FXAXCCMFTIQSKQ-FFGOWVMKSA-N 2 2 313.489 3.633 20 0 DHADLP CC(C)n1c[nH+]cc1C[NH2+]Cc1sccc1Br ZINC000147994367 186042517 /nfs/dbraw/zinc/04/25/17/186042517.db2.gz YWFIIORSJYOMSN-UHFFFAOYSA-N 2 2 314.252 3.578 20 0 DHADLP C[C@H](c1ccccn1)[N@H+](C)CCC[NH+](C)[C@@H](C)c1ccccn1 ZINC000091703395 193094109 /nfs/dbraw/zinc/09/41/09/193094109.db2.gz QTFKZTKRNVMQIP-CALCHBBNSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H](c1ccccn1)[N@@H+](C)CCC[NH+](C)[C@@H](C)c1ccccn1 ZINC000091703395 193094111 /nfs/dbraw/zinc/09/41/11/193094111.db2.gz QTFKZTKRNVMQIP-CALCHBBNSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H](c1ccccn1)[NH+](C)CCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091703395 193094113 /nfs/dbraw/zinc/09/41/13/193094113.db2.gz QTFKZTKRNVMQIP-CALCHBBNSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H](c1ccccn1)[NH+](C)CCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091703395 193094114 /nfs/dbraw/zinc/09/41/14/193094114.db2.gz QTFKZTKRNVMQIP-CALCHBBNSA-N 2 2 312.461 3.553 20 0 DHADLP Cc1ccc(COc2ccc(C[NH2+]CCn3cc[nH+]c3)cc2)cc1 ZINC000060831276 335003639 /nfs/dbraw/zinc/00/36/39/335003639.db2.gz CLOFPAIQVVNNJD-UHFFFAOYSA-N 2 2 321.424 3.560 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3s2)CC1 ZINC000020009038 182176736 /nfs/dbraw/zinc/17/67/36/182176736.db2.gz POFWLDIIDQTXOU-CYBMUJFWSA-N 2 2 303.475 3.821 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000272299218 130017081 /nfs/dbraw/zinc/01/70/81/130017081.db2.gz QHMOPHQJOIWRKW-IRXDYDNUSA-N 2 2 324.472 3.721 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000272299218 130017083 /nfs/dbraw/zinc/01/70/83/130017083.db2.gz QHMOPHQJOIWRKW-IRXDYDNUSA-N 2 2 324.472 3.721 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000274284094 130223570 /nfs/dbraw/zinc/22/35/70/130223570.db2.gz KNKJDOMNRQXHPN-CABCVRRESA-N 2 2 301.434 3.800 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(Cl)cn1 ZINC000274823558 130265597 /nfs/dbraw/zinc/26/55/97/130265597.db2.gz BYAJLGUBGPLGFB-GFCCVEGCSA-N 2 2 321.827 3.787 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C(Cl)=C/Cl ZINC000274848190 130267303 /nfs/dbraw/zinc/26/73/03/130267303.db2.gz QKHJLZUHGABTDR-JEJBDVSJSA-N 2 2 313.272 3.806 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C(Cl)=C/Cl ZINC000274848190 130267305 /nfs/dbraw/zinc/26/73/05/130267305.db2.gz QKHJLZUHGABTDR-JEJBDVSJSA-N 2 2 313.272 3.806 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CCS2 ZINC000275392726 130314776 /nfs/dbraw/zinc/31/47/76/130314776.db2.gz YTSCADQWNMKZRI-GDBMZVCRSA-N 2 2 301.459 3.715 20 0 DHADLP Cc1[nH+]c2ccccc2n1C1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000280097993 130783009 /nfs/dbraw/zinc/78/30/09/130783009.db2.gz ASSHEXXTRSKDPP-UHFFFAOYSA-N 2 2 306.413 3.890 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(C2CC2)c1 ZINC000340175578 130997671 /nfs/dbraw/zinc/99/76/71/130997671.db2.gz NSEBRKHTCQKBKH-HNNXBMFYSA-N 2 2 309.457 3.990 20 0 DHADLP Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000283916290 131033069 /nfs/dbraw/zinc/03/30/69/131033069.db2.gz DMKRXCHPHVYFKL-SFHVURJKSA-N 2 2 319.408 3.745 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000284242275 131063083 /nfs/dbraw/zinc/06/30/83/131063083.db2.gz IDQQSSTYMNNDDF-CWFSZBLJSA-N 2 2 310.441 3.723 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000286048324 131217071 /nfs/dbraw/zinc/21/70/71/131217071.db2.gz KVVXYNVHUWIQMT-HBFSDRIKSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000286048324 131217072 /nfs/dbraw/zinc/21/70/72/131217072.db2.gz KVVXYNVHUWIQMT-HBFSDRIKSA-N 2 2 323.484 3.951 20 0 DHADLP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340220428 131218370 /nfs/dbraw/zinc/21/83/70/131218370.db2.gz ABPMBHKZYCCDHU-LCLWPZTBSA-N 2 2 316.489 3.587 20 0 DHADLP C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340220428 131218371 /nfs/dbraw/zinc/21/83/71/131218371.db2.gz ABPMBHKZYCCDHU-LCLWPZTBSA-N 2 2 316.489 3.587 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)c(C)c1OC ZINC000286174574 131223152 /nfs/dbraw/zinc/22/31/52/131223152.db2.gz QABVSJRAKRZTTK-HNNXBMFYSA-N 2 2 314.429 3.609 20 0 DHADLP C[C@H]1CSC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000287496103 131283265 /nfs/dbraw/zinc/28/32/65/131283265.db2.gz NNZMBLPWIOGDHV-GUYCJALGSA-N 2 2 324.921 3.646 20 0 DHADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(C2CC2)c1 ZINC000340266591 131309957 /nfs/dbraw/zinc/30/99/57/131309957.db2.gz YLZZQJAUULECDG-KBXCAEBGSA-N 2 2 304.503 3.652 20 0 DHADLP CC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000288452858 131325629 /nfs/dbraw/zinc/32/56/29/131325629.db2.gz PMYSDTVTUFQICG-ZDUSSCGKSA-N 2 2 303.837 3.666 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000288452858 131325631 /nfs/dbraw/zinc/32/56/31/131325631.db2.gz PMYSDTVTUFQICG-ZDUSSCGKSA-N 2 2 303.837 3.666 20 0 DHADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000289175435 131363590 /nfs/dbraw/zinc/36/35/90/131363590.db2.gz HXCWMWAIQPTYTE-IAGOWNOFSA-N 2 2 303.494 3.850 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCc1c[nH+]cn1C ZINC000289458501 131387885 /nfs/dbraw/zinc/38/78/85/131387885.db2.gz XZOVESBNMWCDRP-NSHDSACASA-N 2 2 312.244 3.962 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCc1c[nH+]cn1C ZINC000289458501 131387886 /nfs/dbraw/zinc/38/78/86/131387886.db2.gz XZOVESBNMWCDRP-NSHDSACASA-N 2 2 312.244 3.962 20 0 DHADLP COc1ccc([C@@H]2CCCCC[N@@H+]2CCc2c[nH+]cn2C)cc1 ZINC000289468849 131388920 /nfs/dbraw/zinc/38/89/20/131388920.db2.gz YWEGCQQPPUXEIZ-IBGZPJMESA-N 2 2 313.445 3.589 20 0 DHADLP COc1ccc([C@@H]2CCCCC[N@H+]2CCc2c[nH+]cn2C)cc1 ZINC000289468849 131388921 /nfs/dbraw/zinc/38/89/21/131388921.db2.gz YWEGCQQPPUXEIZ-IBGZPJMESA-N 2 2 313.445 3.589 20 0 DHADLP Cc1ccc(CC[N@@H+](CCc2c[nH+]cn2C)Cc2ccco2)cc1 ZINC000297302716 132008923 /nfs/dbraw/zinc/00/89/23/132008923.db2.gz BHHBZVSVQOUYDC-UHFFFAOYSA-N 2 2 323.440 3.609 20 0 DHADLP Cc1ccc(CC[N@H+](CCc2c[nH+]cn2C)Cc2ccco2)cc1 ZINC000297302716 132008925 /nfs/dbraw/zinc/00/89/25/132008925.db2.gz BHHBZVSVQOUYDC-UHFFFAOYSA-N 2 2 323.440 3.609 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000297915996 132040907 /nfs/dbraw/zinc/04/09/07/132040907.db2.gz SSAKMBDARREFRX-UHFFFAOYSA-N 2 2 317.864 3.571 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000297915996 132040909 /nfs/dbraw/zinc/04/09/09/132040909.db2.gz SSAKMBDARREFRX-UHFFFAOYSA-N 2 2 317.864 3.571 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163839652 132125127 /nfs/dbraw/zinc/12/51/27/132125127.db2.gz BZNWTFMZIXGCAV-AWEZNQCLSA-N 2 2 301.459 3.956 20 0 DHADLP Cc1[nH+]ccn1CCCN(C)c1cc(C)[nH+]c2c(F)cccc12 ZINC000120200384 132142641 /nfs/dbraw/zinc/14/26/41/132142641.db2.gz IYFHMCOSHOVWMF-UHFFFAOYSA-N 2 2 312.392 3.714 20 0 DHADLP C[N@H+](Cc1csc(-c2ccsc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747018 132143773 /nfs/dbraw/zinc/14/37/73/132143773.db2.gz GWFSGRIMQJUZFE-NNQSOWQGSA-N 2 2 319.499 3.586 20 0 DHADLP C[N@@H+](Cc1csc(-c2ccsc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747018 132143774 /nfs/dbraw/zinc/14/37/74/132143774.db2.gz GWFSGRIMQJUZFE-NNQSOWQGSA-N 2 2 319.499 3.586 20 0 DHADLP Clc1ccc2[nH+]ccc(N3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000041479086 132146243 /nfs/dbraw/zinc/14/62/43/132146243.db2.gz FFJIDFOLKJKZPZ-UHFFFAOYSA-N 2 2 324.815 3.610 20 0 DHADLP Cc1cccc(CC[C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000128956438 196007651 /nfs/dbraw/zinc/00/76/51/196007651.db2.gz DLSPMIVHZPWPBX-SFHVURJKSA-N 2 2 323.484 3.970 20 0 DHADLP CCc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000603381016 435335327 /nfs/dbraw/zinc/33/53/27/435335327.db2.gz FKTTVLGROCSDFT-MRXNPFEDSA-N 2 2 324.472 3.883 20 0 DHADLP CCc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000603381016 435335331 /nfs/dbraw/zinc/33/53/31/435335331.db2.gz FKTTVLGROCSDFT-MRXNPFEDSA-N 2 2 324.472 3.883 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H](C)c3ccc(F)cc3F)c[nH+]c12 ZINC000530974174 331756452 /nfs/dbraw/zinc/75/64/52/331756452.db2.gz XHLDSSDSRUCNIB-GFCCVEGCSA-N 2 2 301.340 3.772 20 0 DHADLP COc1ccc(F)cc1[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000584199299 331860533 /nfs/dbraw/zinc/86/05/33/331860533.db2.gz ZWCIKSQGAWTAEK-CQSZACIVSA-N 2 2 302.393 3.821 20 0 DHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000558105439 331877000 /nfs/dbraw/zinc/87/70/00/331877000.db2.gz ZUJNJAMSXYHALZ-CZAWJFPGSA-N 2 2 323.362 3.984 20 0 DHADLP COC[C@H]([NH2+]CCCCCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000558657206 331932040 /nfs/dbraw/zinc/93/20/40/331932040.db2.gz JHAYUWQUJBFDGU-SFHVURJKSA-N 2 2 317.477 3.776 20 0 DHADLP CCC[NH+](CCC)CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000518278863 332005861 /nfs/dbraw/zinc/00/58/61/332005861.db2.gz JDQSPMLGKWVNDO-UHFFFAOYSA-N 2 2 302.384 3.706 20 0 DHADLP Cn1c(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[nH+]c2cccc(F)c21 ZINC000409732987 332050988 /nfs/dbraw/zinc/05/09/88/332050988.db2.gz PHMMWVLPNKISEV-IAGOWNOFSA-N 2 2 324.403 3.570 20 0 DHADLP Cn1c(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[nH+]c2cccc(F)c21 ZINC000409732987 332050989 /nfs/dbraw/zinc/05/09/89/332050989.db2.gz PHMMWVLPNKISEV-IAGOWNOFSA-N 2 2 324.403 3.570 20 0 DHADLP C[NH+](C)C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000091669581 332080489 /nfs/dbraw/zinc/08/04/89/332080489.db2.gz ZTPVFNZHOVSDDP-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP CC[C@H](C[NH2+]Cc1ccccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000520951063 332128107 /nfs/dbraw/zinc/12/81/07/332128107.db2.gz NJAFPLRKBGVUPG-LJQANCHMSA-N 2 2 312.432 3.752 20 0 DHADLP CC[C@H](C[NH2+]Cc1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000520951063 332128108 /nfs/dbraw/zinc/12/81/08/332128108.db2.gz NJAFPLRKBGVUPG-LJQANCHMSA-N 2 2 312.432 3.752 20 0 DHADLP FCCC[NH+]1CCC(c2[nH]cc(-c3ccc(F)c(F)c3)[nH+]2)CC1 ZINC000151543253 332205709 /nfs/dbraw/zinc/20/57/09/332205709.db2.gz FUUJHOGUZPGDBI-UHFFFAOYSA-N 2 2 323.362 3.894 20 0 DHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426058099 335094447 /nfs/dbraw/zinc/09/44/47/335094447.db2.gz CWMAHBIBBONHBN-DOTOQJQBSA-N 2 2 316.445 3.503 20 0 DHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426058099 335094448 /nfs/dbraw/zinc/09/44/48/335094448.db2.gz CWMAHBIBBONHBN-DOTOQJQBSA-N 2 2 316.445 3.503 20 0 DHADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000363757790 332241604 /nfs/dbraw/zinc/24/16/04/332241604.db2.gz OHHNCBNRMLNSIM-GXTWGEPZSA-N 2 2 318.490 3.747 20 0 DHADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000363757791 332241719 /nfs/dbraw/zinc/24/17/19/332241719.db2.gz OHHNCBNRMLNSIM-JSGCOSHPSA-N 2 2 318.490 3.747 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(F)c1 ZINC000363760499 332242493 /nfs/dbraw/zinc/24/24/93/332242493.db2.gz ZBCHMGQLSPIAKV-KBPBESRZSA-N 2 2 317.408 3.567 20 0 DHADLP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559773628 332280602 /nfs/dbraw/zinc/28/06/02/332280602.db2.gz BRCCRJBARYRGPD-PMACEKPBSA-N 2 2 324.468 3.929 20 0 DHADLP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559773628 332280604 /nfs/dbraw/zinc/28/06/04/332280604.db2.gz BRCCRJBARYRGPD-PMACEKPBSA-N 2 2 324.468 3.929 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000560073561 332308247 /nfs/dbraw/zinc/30/82/47/332308247.db2.gz YCHHFCGSJRAHIQ-UHFFFAOYSA-N 2 2 322.346 3.544 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000560073561 332308248 /nfs/dbraw/zinc/30/82/48/332308248.db2.gz YCHHFCGSJRAHIQ-UHFFFAOYSA-N 2 2 322.346 3.544 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000560244588 332322621 /nfs/dbraw/zinc/32/26/21/332322621.db2.gz NRRYPRYYFXULKJ-KFKAGJAMSA-N 2 2 304.478 3.509 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000560244588 332322622 /nfs/dbraw/zinc/32/26/22/332322622.db2.gz NRRYPRYYFXULKJ-KFKAGJAMSA-N 2 2 304.478 3.509 20 0 DHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000115609802 332334169 /nfs/dbraw/zinc/33/41/69/332334169.db2.gz QITPKNJSLKYLNP-UHFFFAOYSA-N 2 2 313.376 3.771 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+]CCCCn1cc[nH+]c1 ZINC000560467526 332342372 /nfs/dbraw/zinc/34/23/72/332342372.db2.gz JRWQOYXBTMNCNX-GHRIWEEISA-N 2 2 313.445 3.503 20 0 DHADLP Cc1cc(N(C)Cc2[nH]cc[nH+]2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000428133228 335109012 /nfs/dbraw/zinc/10/90/12/335109012.db2.gz WWWOVAUJKAZJNS-UHFFFAOYSA-N 2 2 300.793 3.865 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000427857586 332543205 /nfs/dbraw/zinc/54/32/05/332543205.db2.gz ZILXNYCTIDGLGL-WBVHZDCISA-N 2 2 315.848 3.909 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427871073 332551472 /nfs/dbraw/zinc/55/14/72/332551472.db2.gz HMLIOHFQJUDRTN-FZMZJTMJSA-N 2 2 309.335 3.568 20 0 DHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427891692 332556761 /nfs/dbraw/zinc/55/67/61/332556761.db2.gz DZOIZXAPCRQMFT-PKOBYXMFSA-N 2 2 309.457 3.989 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000427894070 332556869 /nfs/dbraw/zinc/55/68/69/332556869.db2.gz QAEMETOFRCPTOA-RISCZKNCSA-N 2 2 309.335 3.568 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000188141480 333037779 /nfs/dbraw/zinc/03/77/79/333037779.db2.gz CTVQXDFGPLZFFD-SWLSCSKDSA-N 2 2 312.379 3.635 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000188141480 333037780 /nfs/dbraw/zinc/03/77/80/333037780.db2.gz CTVQXDFGPLZFFD-SWLSCSKDSA-N 2 2 312.379 3.635 20 0 DHADLP CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000117395444 333199419 /nfs/dbraw/zinc/19/94/19/333199419.db2.gz CGYVRBOPHLKHOG-WBVHZDCISA-N 2 2 301.459 3.636 20 0 DHADLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000563051982 333211671 /nfs/dbraw/zinc/21/16/71/333211671.db2.gz HATZGGDBDCMDOI-PCCBWWKXSA-N 2 2 324.468 3.873 20 0 DHADLP CC[NH+]1CCC(CNc2cc(C)[nH+]c3c(F)cccc23)CC1 ZINC000582105680 333237653 /nfs/dbraw/zinc/23/76/53/333237653.db2.gz XZCMXPMWNAHXBQ-UHFFFAOYSA-N 2 2 301.409 3.826 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000500434114 333241968 /nfs/dbraw/zinc/24/19/68/333241968.db2.gz PSKPHBONZXGBGQ-MAUKXSAKSA-N 2 2 322.443 3.922 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000500434114 333241969 /nfs/dbraw/zinc/24/19/69/333241969.db2.gz PSKPHBONZXGBGQ-MAUKXSAKSA-N 2 2 322.443 3.922 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390576495 333303031 /nfs/dbraw/zinc/30/30/31/333303031.db2.gz DUIXRXAINYVAGT-DLBZAZTESA-N 2 2 312.457 3.866 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390576495 333303032 /nfs/dbraw/zinc/30/30/32/333303032.db2.gz DUIXRXAINYVAGT-DLBZAZTESA-N 2 2 312.457 3.866 20 0 DHADLP CSCCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000185165758 333369135 /nfs/dbraw/zinc/36/91/35/333369135.db2.gz OKHJAUZDDYKVJD-FUHWJXTLSA-N 2 2 306.519 3.772 20 0 DHADLP CSCCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000185165758 333369137 /nfs/dbraw/zinc/36/91/37/333369137.db2.gz OKHJAUZDDYKVJD-FUHWJXTLSA-N 2 2 306.519 3.772 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414239960 333918408 /nfs/dbraw/zinc/91/84/08/333918408.db2.gz JICUJIOLZWRAKZ-OAHLLOKOSA-N 2 2 313.445 3.728 20 0 DHADLP CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000414231480 333926969 /nfs/dbraw/zinc/92/69/69/333926969.db2.gz PBAREDSDMUDXAM-CLCXKQKWSA-N 2 2 313.445 3.727 20 0 DHADLP CCC(CC)[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccs1 ZINC000414309337 333936978 /nfs/dbraw/zinc/93/69/78/333936978.db2.gz UUNASZXJENSSDC-MRXNPFEDSA-N 2 2 320.506 3.815 20 0 DHADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000414711052 334072337 /nfs/dbraw/zinc/07/23/37/334072337.db2.gz RWNHFIBBDQGVOY-CQSZACIVSA-N 2 2 321.534 3.589 20 0 DHADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000414711052 334072338 /nfs/dbraw/zinc/07/23/38/334072338.db2.gz RWNHFIBBDQGVOY-CQSZACIVSA-N 2 2 321.534 3.589 20 0 DHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCc2ccc(Cl)cc21 ZINC000343534265 335175691 /nfs/dbraw/zinc/17/56/91/335175691.db2.gz IOHPDQBQOCZQNM-AEFFLSMTSA-N 2 2 315.848 3.997 20 0 DHADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCc2ccc(Cl)cc21 ZINC000343534265 335175693 /nfs/dbraw/zinc/17/56/93/335175693.db2.gz IOHPDQBQOCZQNM-AEFFLSMTSA-N 2 2 315.848 3.997 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)s1 ZINC000278512563 334097444 /nfs/dbraw/zinc/09/74/44/334097444.db2.gz MFYDRQQUHNUMPB-CHWSQXEVSA-N 2 2 316.898 3.553 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)s1 ZINC000278512563 334097446 /nfs/dbraw/zinc/09/74/46/334097446.db2.gz MFYDRQQUHNUMPB-CHWSQXEVSA-N 2 2 316.898 3.553 20 0 DHADLP [NH3+][C@@H](C[NH2+]Cc1cnc(C2CCCC2)s1)c1ccccc1 ZINC000414827833 334109785 /nfs/dbraw/zinc/10/97/85/334109785.db2.gz HWQTZDJMGNQIHF-INIZCTEOSA-N 2 2 301.459 3.590 20 0 DHADLP COc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1F ZINC000414841347 334112882 /nfs/dbraw/zinc/11/28/82/334112882.db2.gz HXKLDURPMKGPQY-SFHVURJKSA-N 2 2 316.420 3.747 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)c2ccccc21 ZINC000288541271 334160938 /nfs/dbraw/zinc/16/09/38/334160938.db2.gz AHWSFFJQGHWYAU-RDTXWAMCSA-N 2 2 304.397 3.605 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000292754673 334191851 /nfs/dbraw/zinc/19/18/51/334191851.db2.gz ITUQJHHSPQYUHE-KDOFPFPSSA-N 2 2 316.470 3.676 20 0 DHADLP CC[C@@H]1C[C@@H](C[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000414938398 334200035 /nfs/dbraw/zinc/20/00/35/334200035.db2.gz IQLSUUVQIOFDGR-BEVDRBHNSA-N 2 2 312.457 3.634 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC34CCCC4)CC2)nc1 ZINC000293706721 334201285 /nfs/dbraw/zinc/20/12/85/334201285.db2.gz LPZLQUWBAIEWEL-IBGZPJMESA-N 2 2 313.489 3.749 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000414941359 334202415 /nfs/dbraw/zinc/20/24/15/334202415.db2.gz AKACKPITGHIXGG-IIAWOOMASA-N 2 2 312.379 3.584 20 0 DHADLP C[C@@H](CCc1ccsc1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414951871 334206950 /nfs/dbraw/zinc/20/69/50/334206950.db2.gz HRCXGNJQVXLVIW-KBXCAEBGSA-N 2 2 300.471 3.546 20 0 DHADLP Cc1ccc2cc(C[NH2+]C[C@@H]3[NH2+]CCc4ccccc43)ccc2n1 ZINC000414953857 334207810 /nfs/dbraw/zinc/20/78/10/334207810.db2.gz KFECACMWEXQACC-NRFANRHFSA-N 2 2 317.436 3.520 20 0 DHADLP Cc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414959629 334210812 /nfs/dbraw/zinc/21/08/12/334210812.db2.gz XLRAADNHMJQSKH-XJKSGUPXSA-N 2 2 322.424 3.570 20 0 DHADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414963181 334213563 /nfs/dbraw/zinc/21/35/63/334213563.db2.gz WRGXJXZKHHAWDW-IUODEOHRSA-N 2 2 300.368 3.584 20 0 DHADLP CC[N@H+](CC1CC(F)(F)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000295066197 334216780 /nfs/dbraw/zinc/21/67/80/334216780.db2.gz PTUMLQYVTOMJHT-UHFFFAOYSA-N 2 2 323.431 3.665 20 0 DHADLP CC[N@@H+](CC1CC(F)(F)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000295066197 334216781 /nfs/dbraw/zinc/21/67/81/334216781.db2.gz PTUMLQYVTOMJHT-UHFFFAOYSA-N 2 2 323.431 3.665 20 0 DHADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000415086870 334275279 /nfs/dbraw/zinc/27/52/79/334275279.db2.gz SAUAXCKWEBLBSD-ZIAGYGMSSA-N 2 2 306.347 3.782 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000415043141 334261007 /nfs/dbraw/zinc/26/10/07/334261007.db2.gz AGIKKGXHAOGBMN-SQWLQELKSA-N 2 2 314.395 3.960 20 0 DHADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000534525099 334278578 /nfs/dbraw/zinc/27/85/78/334278578.db2.gz SNAWRXDJHWABHQ-JOIYNNFJSA-N 2 2 308.469 3.852 20 0 DHADLP CCOc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415108721 334281487 /nfs/dbraw/zinc/28/14/87/334281487.db2.gz OWHSTKOVKQBZDF-ICSRJNTNSA-N 2 2 310.441 3.516 20 0 DHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580711 334288935 /nfs/dbraw/zinc/28/89/35/334288935.db2.gz NMDWBBVFPAYSQR-GDBMZVCRSA-N 2 2 322.412 3.626 20 0 DHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580711 334288936 /nfs/dbraw/zinc/28/89/36/334288936.db2.gz NMDWBBVFPAYSQR-GDBMZVCRSA-N 2 2 322.412 3.626 20 0 DHADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cccc(F)c1)[NH+](C)C ZINC000442995053 338441237 /nfs/dbraw/zinc/44/12/37/338441237.db2.gz SOOJUUQJRGBDEF-HNAYVOBHSA-N 2 2 300.421 3.915 20 0 DHADLP COc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000443011958 338442120 /nfs/dbraw/zinc/44/21/20/338442120.db2.gz IJZBXILCQQXGIS-OXJNMPFZSA-N 2 2 312.457 3.785 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534860526 334341491 /nfs/dbraw/zinc/34/14/91/334341491.db2.gz ICJPGNVUUNFWKH-ZDUSSCGKSA-N 2 2 317.383 3.997 20 0 DHADLP C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534944923 334349958 /nfs/dbraw/zinc/34/99/58/334349958.db2.gz LIRKGRRIUJGZDF-HOTGVXAUSA-N 2 2 315.486 3.780 20 0 DHADLP C[C@@H](CCSc1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534944923 334349959 /nfs/dbraw/zinc/34/99/59/334349959.db2.gz LIRKGRRIUJGZDF-HOTGVXAUSA-N 2 2 315.486 3.780 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000531988460 334362152 /nfs/dbraw/zinc/36/21/52/334362152.db2.gz FGHVKUQURWWWNA-MLGOLLRUSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000531988460 334362153 /nfs/dbraw/zinc/36/21/53/334362153.db2.gz FGHVKUQURWWWNA-MLGOLLRUSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000531988460 334362155 /nfs/dbraw/zinc/36/21/55/334362155.db2.gz FGHVKUQURWWWNA-MLGOLLRUSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000531988460 334362156 /nfs/dbraw/zinc/36/21/56/334362156.db2.gz FGHVKUQURWWWNA-MLGOLLRUSA-N 2 2 313.272 3.910 20 0 DHADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000531989840 334365469 /nfs/dbraw/zinc/36/54/69/334365469.db2.gz JANGOYIVASDXTP-JLTOFOAXSA-N 2 2 323.415 3.929 20 0 DHADLP COC1CCC([NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000443193251 338446734 /nfs/dbraw/zinc/44/67/34/338446734.db2.gz LLUAJPMOMXPLJS-JIZBTBOESA-N 2 2 304.478 3.533 20 0 DHADLP C[NH+](C)Cc1cc(NCc2cn3ccccc3[nH+]2)ccc1Cl ZINC000341512549 334449697 /nfs/dbraw/zinc/44/96/97/334449697.db2.gz NVURBSRJDXNYAB-UHFFFAOYSA-N 2 2 314.820 3.661 20 0 DHADLP CC(C)Cc1ccc([C@@H](C[NH2+]Cc2cccnc2)[NH+](C)C)cc1 ZINC000342299217 334525979 /nfs/dbraw/zinc/52/59/79/334525979.db2.gz LIXXWKIKQYLLHB-HXUWFJFHSA-N 2 2 311.473 3.673 20 0 DHADLP C[NH+](C)[C@@]1(CNc2cc[nH+]c3c(Cl)cccc23)CCSC1 ZINC000342823952 334576265 /nfs/dbraw/zinc/57/62/65/334576265.db2.gz KCGGRSDOFDONKC-MRXNPFEDSA-N 2 2 321.877 3.737 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306341 334704581 /nfs/dbraw/zinc/70/45/81/334704581.db2.gz CGMYPJNKBAECTQ-VNQPRFMTSA-N 2 2 311.454 3.720 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1)CCC2 ZINC000417313106 334705334 /nfs/dbraw/zinc/70/53/34/334705334.db2.gz OTJYFMQJECTDOJ-FXUDXRNXSA-N 2 2 315.486 3.912 20 0 DHADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000343873325 335199216 /nfs/dbraw/zinc/19/92/16/335199216.db2.gz UVCRLSFDZQYUSX-AFAVFJNCSA-N 2 2 324.415 3.595 20 0 DHADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000343873325 335199217 /nfs/dbraw/zinc/19/92/17/335199217.db2.gz UVCRLSFDZQYUSX-AFAVFJNCSA-N 2 2 324.415 3.595 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)C[N@@H+]1C1CC1 ZINC000344330339 335241323 /nfs/dbraw/zinc/24/13/23/335241323.db2.gz ODOKBJDARGXRPY-XNJGSVPQSA-N 2 2 320.864 3.769 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)C[N@H+]1C1CC1 ZINC000344330339 335241325 /nfs/dbraw/zinc/24/13/25/335241325.db2.gz ODOKBJDARGXRPY-XNJGSVPQSA-N 2 2 320.864 3.769 20 0 DHADLP Cc1cccn2c(C[NH2+]CCc3c[nH]c4ccc(F)cc34)c[nH+]c12 ZINC000344389136 335248819 /nfs/dbraw/zinc/24/88/19/335248819.db2.gz IVCGVFIZLNHFHS-UHFFFAOYSA-N 2 2 322.387 3.595 20 0 DHADLP COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(Cl)c1 ZINC000344521787 335254795 /nfs/dbraw/zinc/25/47/95/335254795.db2.gz VHBRVZZHASRQAG-CQSZACIVSA-N 2 2 319.836 3.521 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(F)c3cccnc13)CCC2 ZINC000344537348 335255822 /nfs/dbraw/zinc/25/58/22/335255822.db2.gz KJKKSYDVPYLTNK-HNNXBMFYSA-N 2 2 324.403 3.546 20 0 DHADLP CCC1(C)CCC([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000344537670 335255840 /nfs/dbraw/zinc/25/58/40/335255840.db2.gz WUFWQKOUDGTSBK-UHFFFAOYSA-N 2 2 310.526 3.824 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(C)(C)CC3)sc2C1 ZINC000346152858 335382541 /nfs/dbraw/zinc/38/25/41/335382541.db2.gz OWTDGUPQVWQHOV-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(C)(C)CC3)sc2C1 ZINC000346152858 335382542 /nfs/dbraw/zinc/38/25/42/335382542.db2.gz OWTDGUPQVWQHOV-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CCSCC[C@H](C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346162797 335384012 /nfs/dbraw/zinc/38/40/12/335384012.db2.gz FEXHNWVJTJKKQH-ZDUSSCGKSA-N 2 2 309.504 3.897 20 0 DHADLP CCSCC[C@H](C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346162797 335384014 /nfs/dbraw/zinc/38/40/14/335384014.db2.gz FEXHNWVJTJKKQH-ZDUSSCGKSA-N 2 2 309.504 3.897 20 0 DHADLP CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346186539 335387808 /nfs/dbraw/zinc/38/78/08/335387808.db2.gz ZBKZDBKAMRXYKT-WBVHZDCISA-N 2 2 319.474 3.569 20 0 DHADLP CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346186539 335387810 /nfs/dbraw/zinc/38/78/10/335387810.db2.gz ZBKZDBKAMRXYKT-WBVHZDCISA-N 2 2 319.474 3.569 20 0 DHADLP CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346200184 335389346 /nfs/dbraw/zinc/38/93/46/335389346.db2.gz LMFPWQQOYWVBCX-CVEARBPZSA-N 2 2 319.474 3.569 20 0 DHADLP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346200184 335389347 /nfs/dbraw/zinc/38/93/47/335389347.db2.gz LMFPWQQOYWVBCX-CVEARBPZSA-N 2 2 319.474 3.569 20 0 DHADLP CCC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000346280576 335391847 /nfs/dbraw/zinc/39/18/47/335391847.db2.gz SJGOCLSLNIQFAY-UHFFFAOYSA-N 2 2 322.250 3.558 20 0 DHADLP CCC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000346280576 335391848 /nfs/dbraw/zinc/39/18/48/335391848.db2.gz SJGOCLSLNIQFAY-UHFFFAOYSA-N 2 2 322.250 3.558 20 0 DHADLP CC(C)[N@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1 ZINC000346299621 335393614 /nfs/dbraw/zinc/39/36/14/335393614.db2.gz BXKODHPLXKRIBW-UHFFFAOYSA-N 2 2 322.250 3.556 20 0 DHADLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1 ZINC000346299621 335393616 /nfs/dbraw/zinc/39/36/16/335393616.db2.gz BXKODHPLXKRIBW-UHFFFAOYSA-N 2 2 322.250 3.556 20 0 DHADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCCn1cc[nH+]c1 ZINC000444781767 338488363 /nfs/dbraw/zinc/48/83/63/338488363.db2.gz HLLCOMKLSLFTMZ-OAHLLOKOSA-N 2 2 311.351 3.865 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348240539 335566462 /nfs/dbraw/zinc/56/64/62/335566462.db2.gz ILABUMHYZVHUOY-ZWKOTPCHSA-N 2 2 305.425 3.738 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000367087211 335661879 /nfs/dbraw/zinc/66/18/79/335661879.db2.gz OPIDTEGYHROYSE-YJBOKZPZSA-N 2 2 322.518 3.507 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)c[nH+]1 ZINC000349313052 335662172 /nfs/dbraw/zinc/66/21/72/335662172.db2.gz GLILCZLYXGZTAF-HNNXBMFYSA-N 2 2 323.440 3.558 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000367088734 335664450 /nfs/dbraw/zinc/66/44/50/335664450.db2.gz XWVGLSLTQKZCFC-WMZOPIPTSA-N 2 2 322.518 3.507 20 0 DHADLP Cc1ccc2[nH]c(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)cc2c1C ZINC000349610694 335684966 /nfs/dbraw/zinc/68/49/66/335684966.db2.gz LUJUPMXYJCQHHF-OAHLLOKOSA-N 2 2 308.429 3.648 20 0 DHADLP Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532249088 335926555 /nfs/dbraw/zinc/92/65/55/335926555.db2.gz JIBRQKKWQWHFJF-OXQOHEQNSA-N 2 2 321.424 3.565 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331514618 336138906 /nfs/dbraw/zinc/13/89/06/336138906.db2.gz YCJSFUUQGYBLOB-UKRRQHHQSA-N 2 2 315.417 3.581 20 0 DHADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331514618 336138908 /nfs/dbraw/zinc/13/89/08/336138908.db2.gz YCJSFUUQGYBLOB-UKRRQHHQSA-N 2 2 315.417 3.581 20 0 DHADLP Clc1cccc(Cl)c1[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000351983892 336185606 /nfs/dbraw/zinc/18/56/06/336185606.db2.gz VHJDBEHWVYGUNX-HNNXBMFYSA-N 2 2 310.228 3.931 20 0 DHADLP CCSc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000351996951 336187038 /nfs/dbraw/zinc/18/70/38/336187038.db2.gz RLKXXSYZWPFCME-QGZVFWFLSA-N 2 2 314.454 3.847 20 0 DHADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000352011508 336188701 /nfs/dbraw/zinc/18/87/01/336188701.db2.gz BXSJWNLKAGTIJX-UHFFFAOYSA-N 2 2 319.474 3.503 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000352298021 336210870 /nfs/dbraw/zinc/21/08/70/336210870.db2.gz RYDXFJOJHSCSBB-UHFFFAOYSA-N 2 2 320.525 3.561 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000352298021 336210871 /nfs/dbraw/zinc/21/08/71/336210871.db2.gz RYDXFJOJHSCSBB-UHFFFAOYSA-N 2 2 320.525 3.561 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000352350182 336213505 /nfs/dbraw/zinc/21/35/05/336213505.db2.gz PAZSQRBDBKMCIM-UHFFFAOYSA-N 2 2 314.404 3.881 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000352650760 336228741 /nfs/dbraw/zinc/22/87/41/336228741.db2.gz ZGPXHVOMDPJOQS-HOTGVXAUSA-N 2 2 321.424 3.860 20 0 DHADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cn1 ZINC000352702497 336231441 /nfs/dbraw/zinc/23/14/41/336231441.db2.gz XWRSNQYLGVEZOD-SFHVURJKSA-N 2 2 324.403 3.706 20 0 DHADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(F)cn1 ZINC000352719417 336232258 /nfs/dbraw/zinc/23/22/58/336232258.db2.gz JZEVKBNPIWGWNG-OAHLLOKOSA-N 2 2 302.397 3.549 20 0 DHADLP CCc1ccc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cn1 ZINC000352765712 336233774 /nfs/dbraw/zinc/23/37/74/336233774.db2.gz RGYCRTLOODKHRV-INIZCTEOSA-N 2 2 311.473 3.863 20 0 DHADLP Cc1cccc(C(C)(C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352751998 336234887 /nfs/dbraw/zinc/23/48/87/336234887.db2.gz WRJZUFMVDCZUJA-UHFFFAOYSA-N 2 2 303.475 3.538 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)s1 ZINC000352758509 336235256 /nfs/dbraw/zinc/23/52/56/336235256.db2.gz ZDCFNMGEFXUZSM-UHFFFAOYSA-N 2 2 317.502 3.792 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCS2 ZINC000532448484 336247994 /nfs/dbraw/zinc/24/79/94/336247994.db2.gz SEADWWZIRGXFQZ-OAHLLOKOSA-N 2 2 305.422 3.629 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1 ZINC000532459451 336248523 /nfs/dbraw/zinc/24/85/23/336248523.db2.gz SJBKNPWJFKAMEW-IAGOWNOFSA-N 2 2 304.478 3.509 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000532451850 336250032 /nfs/dbraw/zinc/25/00/32/336250032.db2.gz STQKZERVQNXXAC-HNNXBMFYSA-N 2 2 309.413 3.545 20 0 DHADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccccc1 ZINC000532487761 336251833 /nfs/dbraw/zinc/25/18/33/336251833.db2.gz HZWNUFJDAPAFHR-QFBILLFUSA-N 2 2 316.445 3.640 20 0 DHADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccccc1 ZINC000532487761 336251834 /nfs/dbraw/zinc/25/18/34/336251834.db2.gz HZWNUFJDAPAFHR-QFBILLFUSA-N 2 2 316.445 3.640 20 0 DHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1ccoc1)c1ccccc1 ZINC000532487758 336251918 /nfs/dbraw/zinc/25/19/18/336251918.db2.gz HZWNUFJDAPAFHR-APWZRJJASA-N 2 2 316.445 3.640 20 0 DHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1ccoc1)c1ccccc1 ZINC000532487758 336251919 /nfs/dbraw/zinc/25/19/19/336251919.db2.gz HZWNUFJDAPAFHR-APWZRJJASA-N 2 2 316.445 3.640 20 0 DHADLP C[C@H](CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532522463 336252335 /nfs/dbraw/zinc/25/23/35/336252335.db2.gz UONGLDJNJBYXGM-DVOMOZLQSA-N 2 2 314.395 3.739 20 0 DHADLP C[C@H](CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532522463 336252336 /nfs/dbraw/zinc/25/23/36/336252336.db2.gz UONGLDJNJBYXGM-DVOMOZLQSA-N 2 2 314.395 3.739 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3c1cccc3Cl)CCC2 ZINC000532537104 336255096 /nfs/dbraw/zinc/25/50/96/336255096.db2.gz XXVCWVQSWBISJO-DYVFJYSZSA-N 2 2 315.848 3.999 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352842696 336275526 /nfs/dbraw/zinc/27/55/26/336275526.db2.gz WTXQHMOQOFGICY-UHFFFAOYSA-N 2 2 306.397 3.731 20 0 DHADLP CSc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000352843048 336275701 /nfs/dbraw/zinc/27/57/01/336275701.db2.gz PZVHSEDWHVMGHB-LBPRGKRZSA-N 2 2 307.488 3.642 20 0 DHADLP CCc1ccc([C@H](CNc2cc[nH+]c(C3CC3)n2)[NH+](C)C)cc1 ZINC000301221281 336295418 /nfs/dbraw/zinc/29/54/18/336295418.db2.gz AHBMDLBQUDLEOH-KRWDZBQOSA-N 2 2 310.445 3.631 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)nc[nH+]1 ZINC000301276019 336298236 /nfs/dbraw/zinc/29/82/36/336298236.db2.gz WPLGJPMGYVOHAS-INIZCTEOSA-N 2 2 310.445 3.772 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nc[nH+]1 ZINC000301276019 336298237 /nfs/dbraw/zinc/29/82/37/336298237.db2.gz WPLGJPMGYVOHAS-INIZCTEOSA-N 2 2 310.445 3.772 20 0 DHADLP Fc1ccc2c(NCCc3cn4ccccc4[nH+]3)cc[nH+]c2c1 ZINC000301289706 336299044 /nfs/dbraw/zinc/29/90/44/336299044.db2.gz STBYYXZEEYGEQW-UHFFFAOYSA-N 2 2 306.344 3.676 20 0 DHADLP CC(C)(C)[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000301506505 336311278 /nfs/dbraw/zinc/31/12/78/336311278.db2.gz JABVNGITMBLHNE-UHFFFAOYSA-N 2 2 301.356 3.775 20 0 DHADLP C[C@H](CNc1cc[nH+]cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000301518302 336311942 /nfs/dbraw/zinc/31/19/42/336311942.db2.gz MIQHVTAUBKUSEA-CYBMUJFWSA-N 2 2 301.821 3.594 20 0 DHADLP C[C@H](CNc1cc[nH+]cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000301518302 336311943 /nfs/dbraw/zinc/31/19/43/336311943.db2.gz MIQHVTAUBKUSEA-CYBMUJFWSA-N 2 2 301.821 3.594 20 0 DHADLP CCCC[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000301525315 336312364 /nfs/dbraw/zinc/31/23/64/336312364.db2.gz PLMIZHMAVDMJJB-UHFFFAOYSA-N 2 2 301.356 3.777 20 0 DHADLP Cc1ccccc1C[NH+]1CCC(Nc2nc(C)[nH+]c(C)c2C)CC1 ZINC000301667463 336322119 /nfs/dbraw/zinc/32/21/19/336322119.db2.gz CRRLCNRTLASLPE-UHFFFAOYSA-N 2 2 324.472 3.787 20 0 DHADLP CC[NH+](CC)[C@H](CNc1nc(C)[nH+]c(C)c1C)c1ccsc1 ZINC000301670943 336322367 /nfs/dbraw/zinc/32/23/67/336322367.db2.gz FGMVHYDXEMRHQZ-MRXNPFEDSA-N 2 2 318.490 3.958 20 0 DHADLP Cc1nc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301699003 336324288 /nfs/dbraw/zinc/32/42/88/336324288.db2.gz RKFIITTURXYWMA-OAHLLOKOSA-N 2 2 324.472 3.503 20 0 DHADLP Cc1nc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301699003 336324289 /nfs/dbraw/zinc/32/42/89/336324289.db2.gz RKFIITTURXYWMA-OAHLLOKOSA-N 2 2 324.472 3.503 20 0 DHADLP Cc1cccc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000301711637 336325114 /nfs/dbraw/zinc/32/51/14/336325114.db2.gz VDVDIKPMOFRUEQ-HNNXBMFYSA-N 2 2 315.848 3.927 20 0 DHADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]c2ccccc2[nH+]1 ZINC000301899225 336336970 /nfs/dbraw/zinc/33/69/70/336336970.db2.gz XQKAVMWXTQRIAM-KRWDZBQOSA-N 2 2 320.440 3.521 20 0 DHADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]c2ccccc2[nH+]1 ZINC000301899225 336336971 /nfs/dbraw/zinc/33/69/71/336336971.db2.gz XQKAVMWXTQRIAM-KRWDZBQOSA-N 2 2 320.440 3.521 20 0 DHADLP Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2cccc(F)c2[nH+]1 ZINC000302731982 336366993 /nfs/dbraw/zinc/36/69/93/336366993.db2.gz MTRKCTBBBQDHHN-WMLDXEAASA-N 2 2 313.420 3.603 20 0 DHADLP Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2cccc(F)c2[nH+]1 ZINC000302731982 336366994 /nfs/dbraw/zinc/36/69/94/336366994.db2.gz MTRKCTBBBQDHHN-WMLDXEAASA-N 2 2 313.420 3.603 20 0 DHADLP CC(C)c1nc(NC[C@H](C)Cn2cc[nH+]c2)cc(C(C)(C)C)[nH+]1 ZINC000302776478 336368560 /nfs/dbraw/zinc/36/85/60/336368560.db2.gz FPPLKGBFRZQQIB-AWEZNQCLSA-N 2 2 315.465 3.842 20 0 DHADLP CC(C)c1nc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000302788920 336369242 /nfs/dbraw/zinc/36/92/42/336369242.db2.gz XQEUIHREGHTSGP-HUUCEWRRSA-N 2 2 318.509 3.674 20 0 DHADLP CC(C)c1nc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000302788920 336369243 /nfs/dbraw/zinc/36/92/43/336369243.db2.gz XQEUIHREGHTSGP-HUUCEWRRSA-N 2 2 318.509 3.674 20 0 DHADLP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000302834466 336371418 /nfs/dbraw/zinc/37/14/18/336371418.db2.gz TYFVSRSCGWDOSD-DOTOQJQBSA-N 2 2 303.356 3.526 20 0 DHADLP Cc1cc[nH+]c(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000302834466 336371419 /nfs/dbraw/zinc/37/14/19/336371419.db2.gz TYFVSRSCGWDOSD-DOTOQJQBSA-N 2 2 303.356 3.526 20 0 DHADLP CCC(CC)[N@H+](CC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000514629196 336386310 /nfs/dbraw/zinc/38/63/10/336386310.db2.gz ZNCUAIYYCDFTTL-QGZVFWFLSA-N 2 2 317.477 3.525 20 0 DHADLP CCC(CC)[N@@H+](CC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000514629196 336386311 /nfs/dbraw/zinc/38/63/11/336386311.db2.gz ZNCUAIYYCDFTTL-QGZVFWFLSA-N 2 2 317.477 3.525 20 0 DHADLP c1cn(CCC[NH2+][C@H](Cc2ccccc2)c2ccccc2)c[nH+]1 ZINC000193111342 336399916 /nfs/dbraw/zinc/39/99/16/336399916.db2.gz AXJDQQKJMZVNJY-HXUWFJFHSA-N 2 2 305.425 3.847 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@H](C)Oc2cccc(F)c2)c[nH+]1 ZINC000354491127 336472886 /nfs/dbraw/zinc/47/28/86/336472886.db2.gz CVPJXYVJDBUZPP-HNNXBMFYSA-N 2 2 302.393 3.519 20 0 DHADLP CO[C@@H](C[NH2+]CCCc1ccc(C)[nH+]c1)c1cccc(Cl)c1 ZINC000354513980 336473429 /nfs/dbraw/zinc/47/34/29/336473429.db2.gz ZXAMWCKJKAMMQT-SFHVURJKSA-N 2 2 318.848 3.953 20 0 DHADLP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354579140 336475724 /nfs/dbraw/zinc/47/57/24/336475724.db2.gz ZZUMBYYSFWHXDZ-KXBFYZLASA-N 2 2 316.420 3.828 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)Cc1cccc(Cl)c1)CCC2 ZINC000367224476 336539382 /nfs/dbraw/zinc/53/93/82/336539382.db2.gz MDRQAUSAOCGCGY-CJNGLKHVSA-N 2 2 317.864 3.943 20 0 DHADLP Fc1ccc(CC[NH2+]CCCNc2cccc[nH+]2)c(Cl)c1 ZINC000356419168 336549052 /nfs/dbraw/zinc/54/90/52/336549052.db2.gz RYGFSODIPZJXTE-UHFFFAOYSA-N 2 2 307.800 3.508 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000367294326 336609131 /nfs/dbraw/zinc/60/91/31/336609131.db2.gz JSMNMBTWLUVXQD-QGZVFWFLSA-N 2 2 300.377 3.575 20 0 DHADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000359371805 336669882 /nfs/dbraw/zinc/66/98/82/336669882.db2.gz AZJMIPKHERYPKB-XHSDSOJGSA-N 2 2 310.507 3.534 20 0 DHADLP Cc1ccn2cc(CNc3cc(C)[nH+]c4ccc(F)cc34)[nH+]c2c1 ZINC000360677512 336718680 /nfs/dbraw/zinc/71/86/80/336718680.db2.gz ZNCXWXMZGRWDKG-UHFFFAOYSA-N 2 2 320.371 3.672 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000361227636 336745258 /nfs/dbraw/zinc/74/52/58/336745258.db2.gz HAEUVAXQJHUNEF-LJQANCHMSA-N 2 2 316.489 3.543 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000361494822 336759363 /nfs/dbraw/zinc/75/93/63/336759363.db2.gz ACLKHAYMYYMOJW-FQEVSTJZSA-N 2 2 303.409 3.958 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1cccc(C)c1 ZINC000367517585 336824170 /nfs/dbraw/zinc/82/41/70/336824170.db2.gz CGMAFKGBUPJQGG-SFHVURJKSA-N 2 2 306.413 3.817 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ncoc1-c1ccccc1 ZINC000368017488 336834765 /nfs/dbraw/zinc/83/47/65/336834765.db2.gz MSUOIHBITSIPGG-UHFFFAOYSA-N 2 2 307.397 3.767 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCN(c2cccs2)CC1 ZINC000368018847 336834973 /nfs/dbraw/zinc/83/49/73/336834973.db2.gz QRBJEBQLCBLVFG-UHFFFAOYSA-N 2 2 315.486 3.643 20 0 DHADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)cs1 ZINC000121262036 336937019 /nfs/dbraw/zinc/93/70/19/336937019.db2.gz MUMPSAPLJGGISA-LJQANCHMSA-N 2 2 312.482 3.990 20 0 DHADLP C[C@@H](CCC1CC1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373487866 336962110 /nfs/dbraw/zinc/96/21/10/336962110.db2.gz XVZIMZNNCHJZAV-JQRITLKVSA-N 2 2 318.427 3.960 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccccc3)C2)CC1 ZINC000373487539 336962116 /nfs/dbraw/zinc/96/21/16/336962116.db2.gz CMZMVVCQNWWTQV-UHFFFAOYSA-N 2 2 312.379 3.582 20 0 DHADLP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1OC ZINC000373519942 336963575 /nfs/dbraw/zinc/96/35/75/336963575.db2.gz HBLKZKJMSYTHJP-HTWSVDAQSA-N 2 2 302.462 3.753 20 0 DHADLP Cc1cc(F)cc(C2(F)CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000374851914 336998258 /nfs/dbraw/zinc/99/82/58/336998258.db2.gz AJOLKRBKGDDZQU-UHFFFAOYSA-N 2 2 319.399 3.682 20 0 DHADLP c1cn(CC[N@@H+]2CCCC[C@@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000122242461 337000214 /nfs/dbraw/zinc/00/02/14/337000214.db2.gz PFANCQYBXIXXAL-OAHLLOKOSA-N 2 2 312.442 3.720 20 0 DHADLP c1cn(CC[N@H+]2CCCC[C@@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000122242461 337000215 /nfs/dbraw/zinc/00/02/15/337000215.db2.gz PFANCQYBXIXXAL-OAHLLOKOSA-N 2 2 312.442 3.720 20 0 DHADLP C[N@H+](CC1CCCCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375015339 337001723 /nfs/dbraw/zinc/00/17/23/337001723.db2.gz WHEOBRSRYJIZRX-UHFFFAOYSA-N 2 2 315.505 3.601 20 0 DHADLP C[N@@H+](CC1CCCCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375015339 337001724 /nfs/dbraw/zinc/00/17/24/337001724.db2.gz WHEOBRSRYJIZRX-UHFFFAOYSA-N 2 2 315.505 3.601 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1ccccc1)C(C)C)CCC2 ZINC000375278725 337007163 /nfs/dbraw/zinc/00/71/63/337007163.db2.gz IARCITUPWKROQJ-OALUTQOASA-N 2 2 311.473 3.926 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000304950016 337008342 /nfs/dbraw/zinc/00/83/42/337008342.db2.gz GDZXOBLDHMHHSG-DUXKGJEZSA-N 2 2 324.468 3.535 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000304950016 337008343 /nfs/dbraw/zinc/00/83/43/337008343.db2.gz GDZXOBLDHMHHSG-DUXKGJEZSA-N 2 2 324.468 3.535 20 0 DHADLP CCCCCC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375515546 337012584 /nfs/dbraw/zinc/01/25/84/337012584.db2.gz SMURFGRUWGFMOE-YOEHRIQHSA-N 2 2 309.523 3.832 20 0 DHADLP CCCCCC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375515546 337012585 /nfs/dbraw/zinc/01/25/85/337012585.db2.gz SMURFGRUWGFMOE-YOEHRIQHSA-N 2 2 309.523 3.832 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(-c2[nH+]ccn2C)c1)c1cccc(O)c1 ZINC000375584683 337013775 /nfs/dbraw/zinc/01/37/75/337013775.db2.gz RKYDCUXPQJEFNA-CQSZACIVSA-N 2 2 307.397 3.644 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000375620884 337014959 /nfs/dbraw/zinc/01/49/59/337014959.db2.gz ZHYQVINYKADYSX-LJQANCHMSA-N 2 2 321.428 3.631 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000375620884 337014960 /nfs/dbraw/zinc/01/49/60/337014960.db2.gz ZHYQVINYKADYSX-LJQANCHMSA-N 2 2 321.428 3.631 20 0 DHADLP CC[N@@H+](Cc1ccc(C)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000122725007 337022810 /nfs/dbraw/zinc/02/28/10/337022810.db2.gz IUNQULVKSWFSTI-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP CC[N@H+](Cc1ccc(C)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000122725007 337022811 /nfs/dbraw/zinc/02/28/11/337022811.db2.gz IUNQULVKSWFSTI-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP c1csc(-c2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000376493749 337034879 /nfs/dbraw/zinc/03/48/79/337034879.db2.gz XBXLZYHTFGLJAJ-GXTWGEPZSA-N 2 2 319.499 3.588 20 0 DHADLP c1csc(-c2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cs2)c1 ZINC000376493749 337034880 /nfs/dbraw/zinc/03/48/80/337034880.db2.gz XBXLZYHTFGLJAJ-GXTWGEPZSA-N 2 2 319.499 3.588 20 0 DHADLP CCc1nc2c(s1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCC2 ZINC000376597070 337037694 /nfs/dbraw/zinc/03/76/94/337037694.db2.gz YKQIKYNFSOLJLN-YMAMQOFZSA-N 2 2 319.518 3.689 20 0 DHADLP COc1ccc2cc(C[NH2+]Cc3c[nH+]c4n3CCCC4)ccc2c1 ZINC000376768350 337040750 /nfs/dbraw/zinc/04/07/50/337040750.db2.gz MWGDYMJPJYYBFR-UHFFFAOYSA-N 2 2 321.424 3.671 20 0 DHADLP c1[nH]cc(C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)[nH+]1 ZINC000377209672 337048811 /nfs/dbraw/zinc/04/88/11/337048811.db2.gz XMTUINQHVSCPAI-UHFFFAOYSA-N 2 2 311.429 3.578 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000377262127 337049703 /nfs/dbraw/zinc/04/97/03/337049703.db2.gz NGTSDMPACSMOPA-CYBMUJFWSA-N 2 2 321.827 3.635 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000377262127 337049704 /nfs/dbraw/zinc/04/97/04/337049704.db2.gz NGTSDMPACSMOPA-CYBMUJFWSA-N 2 2 321.827 3.635 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000377300686 337050245 /nfs/dbraw/zinc/05/02/45/337050245.db2.gz WLXCZQUOKDERKY-KSZLIROESA-N 2 2 301.478 3.633 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000377300686 337050246 /nfs/dbraw/zinc/05/02/46/337050246.db2.gz WLXCZQUOKDERKY-KSZLIROESA-N 2 2 301.478 3.633 20 0 DHADLP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000377383076 337051449 /nfs/dbraw/zinc/05/14/49/337051449.db2.gz OEBQETRFSQQWEV-DJJJIMSYSA-N 2 2 323.371 3.623 20 0 DHADLP CCc1nccc([C@@H]2CCC[N@H+](CCCc3c[nH+]ccc3C)C2)n1 ZINC000377541956 337054741 /nfs/dbraw/zinc/05/47/41/337054741.db2.gz MWGLOYREZJGZPL-GOSISDBHSA-N 2 2 324.472 3.555 20 0 DHADLP CCc1nccc([C@@H]2CCC[N@@H+](CCCc3c[nH+]ccc3C)C2)n1 ZINC000377541956 337054742 /nfs/dbraw/zinc/05/47/42/337054742.db2.gz MWGLOYREZJGZPL-GOSISDBHSA-N 2 2 324.472 3.555 20 0 DHADLP Cc1csc(C2CC[NH+](CCCc3c[nH+]ccc3C)CC2)n1 ZINC000377659662 337057863 /nfs/dbraw/zinc/05/78/63/337057863.db2.gz OWJHQJUAVQXCEZ-UHFFFAOYSA-N 2 2 315.486 3.967 20 0 DHADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377693950 337058693 /nfs/dbraw/zinc/05/86/93/337058693.db2.gz DNZDERZPLQVAPR-FPAYPSAMSA-N 2 2 303.494 3.879 20 0 DHADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377693950 337058694 /nfs/dbraw/zinc/05/86/94/337058694.db2.gz DNZDERZPLQVAPR-FPAYPSAMSA-N 2 2 303.494 3.879 20 0 DHADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377693951 337058815 /nfs/dbraw/zinc/05/88/15/337058815.db2.gz DNZDERZPLQVAPR-NBMJBFSESA-N 2 2 303.494 3.879 20 0 DHADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377693951 337058816 /nfs/dbraw/zinc/05/88/16/337058816.db2.gz DNZDERZPLQVAPR-NBMJBFSESA-N 2 2 303.494 3.879 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000377713801 337059430 /nfs/dbraw/zinc/05/94/30/337059430.db2.gz BGTGKWQDDRBDEN-AQNXPRMDSA-N 2 2 316.489 3.728 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000377713801 337059431 /nfs/dbraw/zinc/05/94/31/337059431.db2.gz BGTGKWQDDRBDEN-AQNXPRMDSA-N 2 2 316.489 3.728 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cccs3)[C@H](C)C2)s1 ZINC000377790850 337061141 /nfs/dbraw/zinc/06/11/41/337061141.db2.gz KNCARQMAEYEYOW-MLGOLLRUSA-N 2 2 321.515 3.513 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3cccs3)[C@H](C)C2)s1 ZINC000377790850 337061142 /nfs/dbraw/zinc/06/11/42/337061142.db2.gz KNCARQMAEYEYOW-MLGOLLRUSA-N 2 2 321.515 3.513 20 0 DHADLP Fc1ccccc1[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000377802872 337061600 /nfs/dbraw/zinc/06/16/00/337061600.db2.gz OOYBGXLSVYJBEW-LIRRHRJNSA-N 2 2 313.420 3.927 20 0 DHADLP Fc1ccccc1[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000377802872 337061601 /nfs/dbraw/zinc/06/16/01/337061601.db2.gz OOYBGXLSVYJBEW-LIRRHRJNSA-N 2 2 313.420 3.927 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000377807924 337061668 /nfs/dbraw/zinc/06/16/68/337061668.db2.gz VENYYRAAIXQFHN-VBQJREDUSA-N 2 2 319.474 3.778 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCC(C)CC2)CC1)c1nccs1 ZINC000378392245 337071561 /nfs/dbraw/zinc/07/15/61/337071561.db2.gz YRUOBBUDQJXIFY-BBBYJDLNSA-N 2 2 307.507 3.837 20 0 DHADLP Cc1ccccc1NC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000378437389 337072650 /nfs/dbraw/zinc/07/26/50/337072650.db2.gz GBVCTDSMKMBTFS-UHFFFAOYSA-N 2 2 320.440 3.719 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CC(c3cccc(F)c3)C1)CCC2 ZINC000378635152 337077210 /nfs/dbraw/zinc/07/72/10/337077210.db2.gz SUOOAHXRMCEFCY-KLHKWILBSA-N 2 2 313.420 3.744 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000360042020 337084443 /nfs/dbraw/zinc/08/44/43/337084443.db2.gz SXLRAWRGNKJJQQ-HIFRSBDPSA-N 2 2 300.368 3.754 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000360042020 337084444 /nfs/dbraw/zinc/08/44/44/337084444.db2.gz SXLRAWRGNKJJQQ-HIFRSBDPSA-N 2 2 300.368 3.754 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000173422923 337135197 /nfs/dbraw/zinc/13/51/97/337135197.db2.gz WFFRHMIQLDNDBN-ZWOKBUDYSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000173422923 337135198 /nfs/dbraw/zinc/13/51/98/337135198.db2.gz WFFRHMIQLDNDBN-ZWOKBUDYSA-N 2 2 309.457 3.643 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC=C(c4ccccc4)CC3)cn2)c[nH+]1 ZINC000176981594 337154014 /nfs/dbraw/zinc/15/40/14/337154014.db2.gz QYWKKCQYFBSEEW-UHFFFAOYSA-N 2 2 316.408 3.557 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC=C(c4ccccc4)CC3)cn2)c[nH+]1 ZINC000176981594 337154015 /nfs/dbraw/zinc/15/40/15/337154015.db2.gz QYWKKCQYFBSEEW-UHFFFAOYSA-N 2 2 316.408 3.557 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)cc2)c[nH+]1 ZINC000177186943 337154466 /nfs/dbraw/zinc/15/44/66/337154466.db2.gz FNOXTWIXWYXGID-ZWKOTPCHSA-N 2 2 313.470 3.732 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)cc2)c[nH+]1 ZINC000177186943 337154467 /nfs/dbraw/zinc/15/44/67/337154467.db2.gz FNOXTWIXWYXGID-ZWKOTPCHSA-N 2 2 313.470 3.732 20 0 DHADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1Cl ZINC000177208788 337154677 /nfs/dbraw/zinc/15/46/77/337154677.db2.gz RGEFZTXWZUTPFU-ZDUSSCGKSA-N 2 2 312.804 3.772 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC(C)C)cc1 ZINC000177322169 337157023 /nfs/dbraw/zinc/15/70/23/337157023.db2.gz XHUJDTSEXRCOFY-MSOLQXFVSA-N 2 2 302.462 3.532 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC(C)C)cc1 ZINC000177322169 337157024 /nfs/dbraw/zinc/15/70/24/337157024.db2.gz XHUJDTSEXRCOFY-MSOLQXFVSA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(C)C)cc1 ZINC000177322169 337157025 /nfs/dbraw/zinc/15/70/25/337157025.db2.gz XHUJDTSEXRCOFY-MSOLQXFVSA-N 2 2 302.462 3.532 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(C)C)cc1 ZINC000177322169 337157026 /nfs/dbraw/zinc/15/70/26/337157026.db2.gz XHUJDTSEXRCOFY-MSOLQXFVSA-N 2 2 302.462 3.532 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000177936007 337159303 /nfs/dbraw/zinc/15/93/03/337159303.db2.gz NXUDDZNRVRQUGJ-HNNXBMFYSA-N 2 2 309.388 3.921 20 0 DHADLP CCN(CC)[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000179414416 337167865 /nfs/dbraw/zinc/16/78/65/337167865.db2.gz OLGBRZYPRIZQAN-IBGZPJMESA-N 2 2 322.456 3.507 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)nc1 ZINC000179111658 337167987 /nfs/dbraw/zinc/16/79/87/337167987.db2.gz ZFUSVWKDPMKZFY-CYBMUJFWSA-N 2 2 312.804 3.772 20 0 DHADLP c1cn2c(cccc2C[NH+]2CCC(OCC3CCCC3)CC2)[nH+]1 ZINC000180581051 337176558 /nfs/dbraw/zinc/17/65/58/337176558.db2.gz AJQDRNFFFQIXGX-UHFFFAOYSA-N 2 2 313.445 3.506 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@H]([NH+]4CCCCC4)C3)[nH+]c2c1 ZINC000460933142 337189368 /nfs/dbraw/zinc/18/93/68/337189368.db2.gz FYTKLYKMIFSHTR-KRWDZBQOSA-N 2 2 309.457 3.916 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)[nH+]c2c1 ZINC000460938909 337193327 /nfs/dbraw/zinc/19/33/27/337193327.db2.gz RDHKAPZQAWVLDG-QFBILLFUSA-N 2 2 309.457 3.772 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)[nH+]c2c1 ZINC000460938909 337193328 /nfs/dbraw/zinc/19/33/28/337193328.db2.gz RDHKAPZQAWVLDG-QFBILLFUSA-N 2 2 309.457 3.772 20 0 DHADLP c1cc(C[NH+]2CCC([NH2+]CCC3=CCCCCC3)CC2)ccn1 ZINC000184573997 337198682 /nfs/dbraw/zinc/19/86/82/337198682.db2.gz ORWIQZZFEVYDQR-UHFFFAOYSA-N 2 2 313.489 3.916 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000184734304 337199292 /nfs/dbraw/zinc/19/92/92/337199292.db2.gz YRNDUOZDQJPOME-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000184734304 337199293 /nfs/dbraw/zinc/19/92/93/337199293.db2.gz YRNDUOZDQJPOME-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP C[N@H+](C[C@H]1CCC(C)(C)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000184656633 337199749 /nfs/dbraw/zinc/19/97/49/337199749.db2.gz AGZWCUCUXFWILT-LJQANCHMSA-N 2 2 316.489 3.540 20 0 DHADLP C[N@@H+](C[C@H]1CCC(C)(C)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000184656633 337199750 /nfs/dbraw/zinc/19/97/50/337199750.db2.gz AGZWCUCUXFWILT-LJQANCHMSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000507522853 337202363 /nfs/dbraw/zinc/20/23/63/337202363.db2.gz HSQULVMRXWZXKJ-ZIAGYGMSSA-N 2 2 306.416 3.819 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1CCSCC1 ZINC000186987271 337262042 /nfs/dbraw/zinc/26/20/42/337262042.db2.gz OEJAZKKTVQDVKC-HNNXBMFYSA-N 2 2 315.486 3.553 20 0 DHADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000188024810 337270237 /nfs/dbraw/zinc/27/02/37/337270237.db2.gz OBLMQDDOTAMERN-IRXDYDNUSA-N 2 2 324.472 3.661 20 0 DHADLP COCCC1(C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)CCCCC1 ZINC000189808745 337283077 /nfs/dbraw/zinc/28/30/77/337283077.db2.gz HMNGUFYPOTWUMJ-GOSISDBHSA-N 2 2 308.510 3.534 20 0 DHADLP COCCC1(C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)CCCCC1 ZINC000189808745 337283078 /nfs/dbraw/zinc/28/30/78/337283078.db2.gz HMNGUFYPOTWUMJ-GOSISDBHSA-N 2 2 308.510 3.534 20 0 DHADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2)c[nH+]1 ZINC000190933439 337291393 /nfs/dbraw/zinc/29/13/93/337291393.db2.gz KAPGYEBTELOHFY-GOSISDBHSA-N 2 2 307.397 3.692 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCc4c(O)cccc43)n2c1 ZINC000191662164 337298489 /nfs/dbraw/zinc/29/84/89/337298489.db2.gz NARKTDUQLAIBRG-QGZVFWFLSA-N 2 2 307.397 3.516 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000192080211 337302318 /nfs/dbraw/zinc/30/23/18/337302318.db2.gz JUEAURMPFBCDDR-FQEVSTJZSA-N 2 2 320.440 3.856 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000192080211 337302319 /nfs/dbraw/zinc/30/23/19/337302319.db2.gz JUEAURMPFBCDDR-FQEVSTJZSA-N 2 2 320.440 3.856 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000321977176 337308923 /nfs/dbraw/zinc/30/89/23/337308923.db2.gz BYEVBHRAXMITBV-QGZVFWFLSA-N 2 2 309.388 3.761 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1sccc1Br ZINC000037197242 337362021 /nfs/dbraw/zinc/36/20/21/337362021.db2.gz OZUCZINRXXGSAL-JTQLQIEISA-N 2 2 319.312 3.749 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000583901403 337384864 /nfs/dbraw/zinc/38/48/64/337384864.db2.gz BRVFBYPVAWCGHZ-JYJNAYRXSA-N 2 2 315.848 3.846 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000583901403 337384865 /nfs/dbraw/zinc/38/48/65/337384865.db2.gz BRVFBYPVAWCGHZ-JYJNAYRXSA-N 2 2 315.848 3.846 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2F)CC1)c1cccnc1 ZINC000112532403 337390536 /nfs/dbraw/zinc/39/05/36/337390536.db2.gz GLQRUGQEGNBPTE-OAHLLOKOSA-N 2 2 313.420 3.536 20 0 DHADLP C[N@H+](Cc1cccs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119313145 337394633 /nfs/dbraw/zinc/39/46/33/337394633.db2.gz WLUKUNNFNXVGSV-UHFFFAOYSA-N 2 2 300.471 3.845 20 0 DHADLP C[N@@H+](Cc1cccs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119313145 337394634 /nfs/dbraw/zinc/39/46/34/337394634.db2.gz WLUKUNNFNXVGSV-UHFFFAOYSA-N 2 2 300.471 3.845 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2F)cn1 ZINC000126294860 337416101 /nfs/dbraw/zinc/41/61/01/337416101.db2.gz KNRYMCGFHWQTJW-ZDUSSCGKSA-N 2 2 310.376 3.566 20 0 DHADLP c1cc2c(cccc2C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[nH]1 ZINC000236766871 337465248 /nfs/dbraw/zinc/46/52/48/337465248.db2.gz ABZAHTZNINFSAG-UHFFFAOYSA-N 2 2 316.408 3.703 20 0 DHADLP Cc1cc(NC2CCC([NH+](C)C)CC2)c2cccc(F)c2[nH+]1 ZINC000420631274 337509314 /nfs/dbraw/zinc/50/93/14/337509314.db2.gz UYIHVUNQGKZISB-UHFFFAOYSA-N 2 2 301.409 3.967 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H](C)c1ccccc1 ZINC000162221925 337611015 /nfs/dbraw/zinc/61/10/15/337611015.db2.gz NVSDAXSJVUSOKL-MSOLQXFVSA-N 2 2 323.484 3.828 20 0 DHADLP COC1([C@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)CCCC1 ZINC000421803852 337644629 /nfs/dbraw/zinc/64/46/29/337644629.db2.gz RXKZILOPLOLJLG-HNNXBMFYSA-N 2 2 315.461 3.672 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C(C)(C)c2ccccc2Br)n1C ZINC000580466663 337679854 /nfs/dbraw/zinc/67/98/54/337679854.db2.gz HYKZJLIAGTYPDW-UHFFFAOYSA-N 2 2 322.250 3.516 20 0 DHADLP CCC(CC)(C[NH2+][C@H](C)C[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000422756772 337685270 /nfs/dbraw/zinc/68/52/70/337685270.db2.gz HJGINWCHLKZLJO-ZACQAIPSSA-N 3 2 305.510 3.611 20 0 DHADLP COc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422888370 337690194 /nfs/dbraw/zinc/69/01/94/337690194.db2.gz MYYFVKKHMOZLMX-CVEARBPZSA-N 2 2 302.805 3.583 20 0 DHADLP [NH3+][C@H]1C[C@@H](Nc2ccc(N3CCCCC3)c[nH+]2)c2ccccc21 ZINC000422918567 337691395 /nfs/dbraw/zinc/69/13/95/337691395.db2.gz HOZAPEYSXOUMQP-ZWKOTPCHSA-N 2 2 308.429 3.629 20 0 DHADLP CC(C)(C)[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000422927086 337691793 /nfs/dbraw/zinc/69/17/93/337691793.db2.gz YFTUPVZFGYSGEJ-UONOGXRCSA-N 2 2 300.368 3.744 20 0 DHADLP Cc1cc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)ccc1-c1ccccc1 ZINC000423063338 337697855 /nfs/dbraw/zinc/69/78/55/337697855.db2.gz OUEWFOOSVCBTRE-YLJYHZDGSA-N 2 2 324.468 3.519 20 0 DHADLP Cc1cc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)ccc1-c1ccccc1 ZINC000423063337 337697882 /nfs/dbraw/zinc/69/78/82/337697882.db2.gz OUEWFOOSVCBTRE-XLIONFOSSA-N 2 2 324.468 3.519 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1csc(-c2ccccc2F)n1 ZINC000423212054 337704425 /nfs/dbraw/zinc/70/44/25/337704425.db2.gz LNBRSYFTFWNPGW-CHWSQXEVSA-N 2 2 319.449 3.599 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423242276 337706869 /nfs/dbraw/zinc/70/68/69/337706869.db2.gz VJZNAOYFZJLFFA-IUODEOHRSA-N 2 2 301.459 3.521 20 0 DHADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000423302306 337711141 /nfs/dbraw/zinc/71/11/41/337711141.db2.gz VKAYCIHQZYZHQK-ZYHUDNBSSA-N 2 2 304.356 3.595 20 0 DHADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423398409 337715423 /nfs/dbraw/zinc/71/54/23/337715423.db2.gz OWJQPBJWINYFOJ-ZTQAJYAQSA-N 2 2 321.424 3.505 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000423377139 337717376 /nfs/dbraw/zinc/71/73/76/337717376.db2.gz JWFJZCJVXCDNEY-NEPJUHHUSA-N 2 2 302.434 3.692 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000423383473 337717791 /nfs/dbraw/zinc/71/77/91/337717791.db2.gz PEGLZIJEMSGQTR-GYSYKLTISA-N 2 2 311.267 3.585 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423388656 337718203 /nfs/dbraw/zinc/71/82/03/337718203.db2.gz UMCNUWYIZLLCJW-UKRRQHHQSA-N 2 2 315.486 3.775 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c2ccccc2Cl)cc1 ZINC000423437627 337719095 /nfs/dbraw/zinc/71/90/95/337719095.db2.gz GJGOKEITJSRBMK-JCGVRSQUSA-N 2 2 318.848 3.763 20 0 DHADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423452718 337720150 /nfs/dbraw/zinc/72/01/50/337720150.db2.gz WSCPGBFCFUMFNU-PJSUUKDQSA-N 2 2 323.415 3.789 20 0 DHADLP CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C1CCOCC1 ZINC000527197908 337737616 /nfs/dbraw/zinc/73/76/16/337737616.db2.gz DXNMGPHDZUXQHV-UXPWSPDFSA-N 2 2 318.505 3.781 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@H](c3ccccn3)C3CCC3)c2)c[nH+]1 ZINC000527775209 337762994 /nfs/dbraw/zinc/76/29/94/337762994.db2.gz ZOXUYUJKUVARCG-SFHVURJKSA-N 2 2 324.453 3.960 20 0 DHADLP Fc1cc2c(cc1Cl)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000527902218 337772950 /nfs/dbraw/zinc/77/29/50/337772950.db2.gz UAIRBIVYANISAP-INIZCTEOSA-N 2 2 319.811 3.789 20 0 DHADLP COCCC1CC[NH+]([C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000527936334 337777043 /nfs/dbraw/zinc/77/70/43/337777043.db2.gz QSDQADAWPIVJDX-INIZCTEOSA-N 2 2 313.445 3.682 20 0 DHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000121759270 337898719 /nfs/dbraw/zinc/89/87/19/337898719.db2.gz ARPAOPDUJTVJFU-GOSISDBHSA-N 2 2 313.445 3.900 20 0 DHADLP Cc1ccc(CCC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000537172301 337903570 /nfs/dbraw/zinc/90/35/70/337903570.db2.gz NRVZIFDTNDTULL-UHFFFAOYSA-N 2 2 311.473 3.926 20 0 DHADLP CCCc1csc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000426422614 338031820 /nfs/dbraw/zinc/03/18/20/338031820.db2.gz VSFTYBAKAIREOP-WMLDXEAASA-N 2 2 319.518 3.544 20 0 DHADLP CCCc1csc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000426422614 338031821 /nfs/dbraw/zinc/03/18/21/338031821.db2.gz VSFTYBAKAIREOP-WMLDXEAASA-N 2 2 319.518 3.544 20 0 DHADLP CCCc1csc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000426422614 338031822 /nfs/dbraw/zinc/03/18/22/338031822.db2.gz VSFTYBAKAIREOP-WMLDXEAASA-N 2 2 319.518 3.544 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428328028 338047612 /nfs/dbraw/zinc/04/76/12/338047612.db2.gz WRMDVRWGAPHNOR-ZBFHGGJFSA-N 2 2 319.493 3.849 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000428328028 338047613 /nfs/dbraw/zinc/04/76/13/338047613.db2.gz WRMDVRWGAPHNOR-ZBFHGGJFSA-N 2 2 319.493 3.849 20 0 DHADLP C[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)Oc1ccc(Cl)cc1 ZINC000428559738 338056302 /nfs/dbraw/zinc/05/63/02/338056302.db2.gz AOKOGJJWRXXDHS-ZDUSSCGKSA-N 2 2 315.804 3.545 20 0 DHADLP C[NH+](C)CC1(C[NH2+]Cc2nc3ccc(F)cc3s2)CCCC1 ZINC000428869518 338063621 /nfs/dbraw/zinc/06/36/21/338063621.db2.gz BHJLJFKFANEIAV-UHFFFAOYSA-N 2 2 321.465 3.647 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000429532623 338083124 /nfs/dbraw/zinc/08/31/24/338083124.db2.gz VBXNOSLWVLQWFG-CYBMUJFWSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000429532623 338083125 /nfs/dbraw/zinc/08/31/25/338083125.db2.gz VBXNOSLWVLQWFG-CYBMUJFWSA-N 2 2 301.261 3.910 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[N@@H+]1C ZINC000430027335 338093923 /nfs/dbraw/zinc/09/39/23/338093923.db2.gz NLGQWWFYRBHNBF-GUYCJALGSA-N 2 2 322.880 3.701 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC[N@H+]1C ZINC000430027335 338093924 /nfs/dbraw/zinc/09/39/24/338093924.db2.gz NLGQWWFYRBHNBF-GUYCJALGSA-N 2 2 322.880 3.701 20 0 DHADLP C[NH+](C)[C@H](C[NH2+]CCSCc1ccccc1)c1ccccc1 ZINC000430761185 338114117 /nfs/dbraw/zinc/11/41/17/338114117.db2.gz JKKYKPARWPYJJC-LJQANCHMSA-N 2 2 314.498 3.812 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1csc(Cl)c1 ZINC000432409010 338155087 /nfs/dbraw/zinc/15/50/87/338155087.db2.gz DXGPQGAAVNCQEK-QWHCGFSZSA-N 2 2 316.898 3.553 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1csc(Cl)c1 ZINC000432409010 338155088 /nfs/dbraw/zinc/15/50/88/338155088.db2.gz DXGPQGAAVNCQEK-QWHCGFSZSA-N 2 2 316.898 3.553 20 0 DHADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000432741466 338165429 /nfs/dbraw/zinc/16/54/29/338165429.db2.gz GZVBUGMWTPNUBJ-SNVBAGLBSA-N 2 2 315.364 3.870 20 0 DHADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000432741466 338165430 /nfs/dbraw/zinc/16/54/30/338165430.db2.gz GZVBUGMWTPNUBJ-SNVBAGLBSA-N 2 2 315.364 3.870 20 0 DHADLP Cc1nc2[nH]ccc2c(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000433782113 338201656 /nfs/dbraw/zinc/20/16/56/338201656.db2.gz YXORHKVCMMBMKR-CQSZACIVSA-N 2 2 323.444 3.540 20 0 DHADLP Cc1nc2[nH]ccc2c(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000433782113 338201657 /nfs/dbraw/zinc/20/16/57/338201657.db2.gz YXORHKVCMMBMKR-CQSZACIVSA-N 2 2 323.444 3.540 20 0 DHADLP COc1c(C)c[nH+]c(CN(C)c2cc[nH+]c3ccccc32)c1C ZINC000433782103 338201676 /nfs/dbraw/zinc/20/16/76/338201676.db2.gz YVLUSQKAHUUAEF-UHFFFAOYSA-N 2 2 307.397 3.892 20 0 DHADLP Cc1ccc(C)c(OCCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000434976635 338228326 /nfs/dbraw/zinc/22/83/26/338228326.db2.gz MFOWWMCKUYFWCI-UHFFFAOYSA-N 2 2 313.445 3.675 20 0 DHADLP COc1c(Cl)cc(Cl)cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435436226 338240063 /nfs/dbraw/zinc/24/00/63/338240063.db2.gz FDYZXGGUUYIDIK-ZDUSSCGKSA-N 2 2 317.260 3.576 20 0 DHADLP COc1c(Cl)cc(Cl)cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435436226 338240064 /nfs/dbraw/zinc/24/00/64/338240064.db2.gz FDYZXGGUUYIDIK-ZDUSSCGKSA-N 2 2 317.260 3.576 20 0 DHADLP CC[N@H+](Cc1nc(-c2ccsc2)oc1C)[C@H]1CCC[NH2+]CC1 ZINC000435617804 338243722 /nfs/dbraw/zinc/24/37/22/338243722.db2.gz WSRUIHXYCUOFOK-HNNXBMFYSA-N 2 2 319.474 3.676 20 0 DHADLP CC[N@@H+](Cc1nc(-c2ccsc2)oc1C)[C@H]1CCC[NH2+]CC1 ZINC000435617804 338243723 /nfs/dbraw/zinc/24/37/23/338243723.db2.gz WSRUIHXYCUOFOK-HNNXBMFYSA-N 2 2 319.474 3.676 20 0 DHADLP C[C@@H]1CCC[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000437962460 338326457 /nfs/dbraw/zinc/32/64/57/338326457.db2.gz JSGLLMSEJGLXOF-UMGGQSCQSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@@H]1CCC[C@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000437962460 338326458 /nfs/dbraw/zinc/32/64/58/338326458.db2.gz JSGLLMSEJGLXOF-UMGGQSCQSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000437962460 338326459 /nfs/dbraw/zinc/32/64/59/338326459.db2.gz JSGLLMSEJGLXOF-UMGGQSCQSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000437962460 338326460 /nfs/dbraw/zinc/32/64/60/338326460.db2.gz JSGLLMSEJGLXOF-UMGGQSCQSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000438077775 338330193 /nfs/dbraw/zinc/33/01/93/338330193.db2.gz MIBLIUDXZZQQTH-APWZRJJASA-N 2 2 314.448 3.519 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CCSC1 ZINC000438173758 338334837 /nfs/dbraw/zinc/33/48/37/338334837.db2.gz DWYZJUKVNWZFIW-OTWHNJEPSA-N 2 2 318.530 3.524 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000447092140 338545093 /nfs/dbraw/zinc/54/50/93/338545093.db2.gz YDUDLRFEHSZYML-UHFFFAOYSA-N 2 2 306.793 3.680 20 0 DHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C)[nH+]c1C)CC(C)C ZINC000447191214 338547324 /nfs/dbraw/zinc/54/73/24/338547324.db2.gz FTFHSEHCCGOTLO-MRXNPFEDSA-N 2 2 320.481 3.576 20 0 DHADLP C[C@H](CC[NH2+]Cc1ncc(C(C)(C)C)s1)[NH+]1CCCCC1 ZINC000447891339 338570596 /nfs/dbraw/zinc/57/05/96/338570596.db2.gz BBYQWHCVGCUCIN-CQSZACIVSA-N 2 2 309.523 3.795 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000449090652 338592410 /nfs/dbraw/zinc/59/24/10/338592410.db2.gz NZRFJSBLEQZXIO-LJQANCHMSA-N 2 2 301.478 3.604 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCc4c(F)cccc43)n2c1 ZINC000449349432 338616005 /nfs/dbraw/zinc/61/60/05/338616005.db2.gz JLDCXXJFRCNKBV-SFHVURJKSA-N 2 2 309.388 3.949 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c2nccn21 ZINC000449568784 338638562 /nfs/dbraw/zinc/63/85/62/338638562.db2.gz DDQGEIUBLIVHFF-XYVMCAHJSA-N 2 2 316.493 3.522 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H]3CCCN(C)c4ccccc43)c[nH+]c12 ZINC000449650335 338644337 /nfs/dbraw/zinc/64/43/37/338644337.db2.gz KZWDUIYSXRKRFB-GOSISDBHSA-N 2 2 320.440 3.704 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(C)c3ccccc32)c[nH+]1 ZINC000449652203 338644438 /nfs/dbraw/zinc/64/44/38/338644438.db2.gz PKFHGAPZVSQCGJ-LJQANCHMSA-N 2 2 309.457 3.884 20 0 DHADLP FC1(Cc2ccc(Cl)cc2)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000451534888 338738145 /nfs/dbraw/zinc/73/81/45/338738145.db2.gz YQPQQRUVMVVUSJ-UHFFFAOYSA-N 2 2 321.827 3.583 20 0 DHADLP Fc1ccc(F)c(CC2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000451958166 338749051 /nfs/dbraw/zinc/74/90/51/338749051.db2.gz GSVONTFGRBENPW-UHFFFAOYSA-N 2 2 319.399 3.506 20 0 DHADLP CCCCC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000459287128 339019484 /nfs/dbraw/zinc/01/94/84/339019484.db2.gz DWZWKPQNWLTABH-UHFFFAOYSA-N 2 2 303.425 3.794 20 0 DHADLP CCCCC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(F)cc1 ZINC000459287128 339019485 /nfs/dbraw/zinc/01/94/85/339019485.db2.gz DWZWKPQNWLTABH-UHFFFAOYSA-N 2 2 303.425 3.794 20 0 DHADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000459356450 339024238 /nfs/dbraw/zinc/02/42/38/339024238.db2.gz NXPGRYUGAKNPJG-LJQANCHMSA-N 2 2 317.452 3.691 20 0 DHADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000459356450 339024239 /nfs/dbraw/zinc/02/42/39/339024239.db2.gz NXPGRYUGAKNPJG-LJQANCHMSA-N 2 2 317.452 3.691 20 0 DHADLP CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCc2c[nH+]cn2C)o1 ZINC000459367944 339025035 /nfs/dbraw/zinc/02/50/35/339025035.db2.gz VTQOHXWOEMQDSP-WMLDXEAASA-N 2 2 301.434 3.591 20 0 DHADLP CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCc2c[nH+]cn2C)o1 ZINC000459367944 339025036 /nfs/dbraw/zinc/02/50/36/339025036.db2.gz VTQOHXWOEMQDSP-WMLDXEAASA-N 2 2 301.434 3.591 20 0 DHADLP Clc1ccc(CC[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000459380993 339025904 /nfs/dbraw/zinc/02/59/04/339025904.db2.gz BRMMTSHMMLFGBU-UHFFFAOYSA-N 2 2 313.832 3.981 20 0 DHADLP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)no1 ZINC000459385031 339026174 /nfs/dbraw/zinc/02/61/74/339026174.db2.gz FGTHXSQKDINQBQ-UHFFFAOYSA-N 2 2 313.445 3.649 20 0 DHADLP C[C@H]([NH2+]CCOCC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000459419095 339028223 /nfs/dbraw/zinc/02/82/23/339028223.db2.gz XGVXPFBILCMRHH-INIZCTEOSA-N 2 2 313.445 3.730 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H]2CCCc3c(O)cccc32)[NH+](C)C)cc1 ZINC000462884769 339096154 /nfs/dbraw/zinc/09/61/54/339096154.db2.gz ACGFJXFGLWKCCV-PMACEKPBSA-N 2 2 324.468 3.971 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H]1CSC[C@H]1C ZINC000463191585 339108715 /nfs/dbraw/zinc/10/87/15/339108715.db2.gz ISAAEPQMXWHJLH-RHSMWYFYSA-N 2 2 317.502 3.856 20 0 DHADLP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000467343094 339232682 /nfs/dbraw/zinc/23/26/82/339232682.db2.gz MCIPFPAAEJZWQX-OALUTQOASA-N 2 2 315.505 3.738 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467380860 339235755 /nfs/dbraw/zinc/23/57/55/339235755.db2.gz IFJQWOPHQCNEIY-GBESFXJTSA-N 2 2 315.505 3.880 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000467380860 339235756 /nfs/dbraw/zinc/23/57/56/339235756.db2.gz IFJQWOPHQCNEIY-GBESFXJTSA-N 2 2 315.505 3.880 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000467433828 339238303 /nfs/dbraw/zinc/23/83/03/339238303.db2.gz AMEWJAMWSYDGMU-GWZBQHQKSA-N 2 2 322.855 3.797 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000467433828 339238304 /nfs/dbraw/zinc/23/83/04/339238304.db2.gz AMEWJAMWSYDGMU-GWZBQHQKSA-N 2 2 322.855 3.797 20 0 DHADLP C/C(=C\c1ccccc1)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000467551567 339242156 /nfs/dbraw/zinc/24/21/56/339242156.db2.gz SSWNCTYVXCPHPB-SAPNQHFASA-N 2 2 307.441 3.616 20 0 DHADLP C[C@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000471592842 339348502 /nfs/dbraw/zinc/34/85/02/339348502.db2.gz HISMRELLOSCRKC-IWCVFHTOSA-N 2 2 304.478 3.614 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471612154 339349445 /nfs/dbraw/zinc/34/94/45/339349445.db2.gz RSRXYBKEUNUZIG-NDXORKPFSA-N 2 2 308.469 3.825 20 0 DHADLP Cc1ccc2[nH]c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2c1C ZINC000473146428 339382856 /nfs/dbraw/zinc/38/28/56/339382856.db2.gz UBNBKTVSXRJTES-UZLBHIALSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1ccc2[nH]c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2c1C ZINC000473146428 339382857 /nfs/dbraw/zinc/38/28/57/339382857.db2.gz UBNBKTVSXRJTES-UZLBHIALSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2c1C ZINC000473146428 339382858 /nfs/dbraw/zinc/38/28/58/339382858.db2.gz UBNBKTVSXRJTES-UZLBHIALSA-N 2 2 311.473 3.701 20 0 DHADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2c1C ZINC000473146428 339382859 /nfs/dbraw/zinc/38/28/59/339382859.db2.gz UBNBKTVSXRJTES-UZLBHIALSA-N 2 2 311.473 3.701 20 0 DHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153230 339383066 /nfs/dbraw/zinc/38/30/66/339383066.db2.gz UNUVGMINKLAKAX-MRXNPFEDSA-N 2 2 320.427 3.928 20 0 DHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153230 339383067 /nfs/dbraw/zinc/38/30/67/339383067.db2.gz UNUVGMINKLAKAX-MRXNPFEDSA-N 2 2 320.427 3.928 20 0 DHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153230 339383068 /nfs/dbraw/zinc/38/30/68/339383068.db2.gz UNUVGMINKLAKAX-MRXNPFEDSA-N 2 2 320.427 3.928 20 0 DHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153230 339383069 /nfs/dbraw/zinc/38/30/69/339383069.db2.gz UNUVGMINKLAKAX-MRXNPFEDSA-N 2 2 320.427 3.928 20 0 DHADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCC(F)(F)CC1 ZINC000474037961 339398218 /nfs/dbraw/zinc/39/82/18/339398218.db2.gz CPZJWZBXTGOMFV-ZDUSSCGKSA-N 2 2 307.388 3.680 20 0 DHADLP C[C@@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)C1CCC(F)(F)CC1 ZINC000474056169 339399671 /nfs/dbraw/zinc/39/96/71/339399671.db2.gz LIHKSOPWHJRVFB-CRAIPNDOSA-N 2 2 324.459 3.963 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCC(F)(F)CC1 ZINC000474060322 339399995 /nfs/dbraw/zinc/39/99/95/339399995.db2.gz RFIGOENVWDZQRB-UKRRQHHQSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCC(F)(F)CC1 ZINC000474060322 339399996 /nfs/dbraw/zinc/39/99/96/339399996.db2.gz RFIGOENVWDZQRB-UKRRQHHQSA-N 2 2 300.437 3.807 20 0 DHADLP COc1ccccc1CC(C)(C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000474706069 339423008 /nfs/dbraw/zinc/42/30/08/339423008.db2.gz GYWYULOZXLKKMU-UHFFFAOYSA-N 2 2 312.457 3.942 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(Cl)cn1 ZINC000480249894 339565349 /nfs/dbraw/zinc/56/53/49/339565349.db2.gz QPLWPTLFYMUGSX-KFWWJZLASA-N 2 2 309.885 3.754 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC[NH+]2CCCCC2)c2ccccc12 ZINC000480329853 339569426 /nfs/dbraw/zinc/56/94/26/339569426.db2.gz QUVHYSHFRLEYBM-INIZCTEOSA-N 2 2 312.457 3.985 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCCCC1 ZINC000482635813 339638285 /nfs/dbraw/zinc/63/82/85/339638285.db2.gz UPWCASCVEWAUCB-SFHVURJKSA-N 2 2 310.526 3.824 20 0 DHADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3cccc(Cl)c3)CC2)c1 ZINC000483519585 339668006 /nfs/dbraw/zinc/66/80/06/339668006.db2.gz QLTKNXDLEZBGPY-HNNXBMFYSA-N 2 2 315.848 3.927 20 0 DHADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CS1 ZINC000488452780 339783383 /nfs/dbraw/zinc/78/33/83/339783383.db2.gz BMJCECRSWLIMPI-NVXWUHKLSA-N 2 2 315.486 3.882 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cncc(F)c2)c(C)c1 ZINC000494579043 339953940 /nfs/dbraw/zinc/95/39/40/339953940.db2.gz NNNIZJWDSWJDSH-IBGZPJMESA-N 2 2 324.403 3.565 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000499707152 340043064 /nfs/dbraw/zinc/04/30/64/340043064.db2.gz QTELVYSMTQUYNE-RQJABVFESA-N 2 2 304.400 3.570 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)C[N@H+]1C1CC1 ZINC000499707152 340043065 /nfs/dbraw/zinc/04/30/65/340043065.db2.gz QTELVYSMTQUYNE-RQJABVFESA-N 2 2 304.400 3.570 20 0 DHADLP CC[N@H+](C)CC[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000501388226 340079829 /nfs/dbraw/zinc/07/98/29/340079829.db2.gz OFQGTDHHYDTTAH-ACCUITESSA-N 2 2 300.368 3.650 20 0 DHADLP CC[N@@H+](C)CC[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000501388226 340079830 /nfs/dbraw/zinc/07/98/30/340079830.db2.gz OFQGTDHHYDTTAH-ACCUITESSA-N 2 2 300.368 3.650 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000501413552 340080375 /nfs/dbraw/zinc/08/03/75/340080375.db2.gz PPAVLVIQDHRDFG-VOMSXAGXSA-N 2 2 324.390 3.935 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000501413552 340080376 /nfs/dbraw/zinc/08/03/76/340080376.db2.gz PPAVLVIQDHRDFG-VOMSXAGXSA-N 2 2 324.390 3.935 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000503546651 340130121 /nfs/dbraw/zinc/13/01/21/340130121.db2.gz LSELEWJUEPAITM-QRWLVFNGSA-N 2 2 312.432 3.923 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000503546651 340130122 /nfs/dbraw/zinc/13/01/22/340130122.db2.gz LSELEWJUEPAITM-QRWLVFNGSA-N 2 2 312.432 3.923 20 0 DHADLP Cc1cccn2cc(COc3ccc(C[NH+]4CCCC4)cc3)[nH+]c12 ZINC000505343932 340166617 /nfs/dbraw/zinc/16/66/17/340166617.db2.gz NCESTHCBJDIWLA-UHFFFAOYSA-N 2 2 321.424 3.818 20 0 DHADLP CC[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000401279707 340166996 /nfs/dbraw/zinc/16/69/96/340166996.db2.gz CNCNCECFHHITQY-DLBZAZTESA-N 2 2 301.478 3.856 20 0 DHADLP CC1CC[NH+](CCC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000507879835 340235054 /nfs/dbraw/zinc/23/50/54/340235054.db2.gz LREXJWFEJZYJKD-KRWDZBQOSA-N 2 2 308.416 3.664 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cc1Cl ZINC000508191011 340240308 /nfs/dbraw/zinc/24/03/08/340240308.db2.gz BDBTUJAAGNOREJ-UHFFFAOYSA-N 2 2 301.261 3.911 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cc1Cl ZINC000508191011 340240309 /nfs/dbraw/zinc/24/03/09/340240309.db2.gz BDBTUJAAGNOREJ-UHFFFAOYSA-N 2 2 301.261 3.911 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000508990274 340257259 /nfs/dbraw/zinc/25/72/59/340257259.db2.gz IITYRJMWRSJCFQ-LJQANCHMSA-N 2 2 323.484 3.550 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000303055257 340298885 /nfs/dbraw/zinc/29/88/85/340298885.db2.gz OSTAGCBXLUVRAL-LJQANCHMSA-N 2 2 312.432 3.888 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000303055257 340298886 /nfs/dbraw/zinc/29/88/86/340298886.db2.gz OSTAGCBXLUVRAL-LJQANCHMSA-N 2 2 312.432 3.888 20 0 DHADLP CCC1(CC)[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C[C@@H]1OC ZINC000539499510 340887979 /nfs/dbraw/zinc/88/79/79/340887979.db2.gz GEQAKQGACJSAFV-IRXDYDNUSA-N 2 2 315.461 3.679 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C1(C)C ZINC000540596744 340937516 /nfs/dbraw/zinc/93/75/16/340937516.db2.gz GZVNKNFBLCNCFO-DJIMGWMZSA-N 2 2 322.518 3.678 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC000129549342 340970777 /nfs/dbraw/zinc/97/07/77/340970777.db2.gz CUTOHSLTNFOAKI-ILXRZTDVSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@H]1CCCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000541774941 340983692 /nfs/dbraw/zinc/98/36/92/340983692.db2.gz AICSTWYTRDYVCJ-YJBOKZPZSA-N 2 2 316.493 3.603 20 0 DHADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)CCC2 ZINC000130585466 341029481 /nfs/dbraw/zinc/02/94/81/341029481.db2.gz ITVZRYKRQSNHTF-HNNXBMFYSA-N 2 2 305.425 3.716 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CCC2)o1 ZINC000543606438 341050991 /nfs/dbraw/zinc/05/09/91/341050991.db2.gz LJXZJQPJFFXFOS-JTDSTZFVSA-N 2 2 320.477 3.518 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CCC2)o1 ZINC000543606438 341050992 /nfs/dbraw/zinc/05/09/92/341050992.db2.gz LJXZJQPJFFXFOS-JTDSTZFVSA-N 2 2 320.477 3.518 20 0 DHADLP CC[NH+](CC)CCCC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000543896809 341062816 /nfs/dbraw/zinc/06/28/16/341062816.db2.gz GAXRYTUQWTVHTH-UHFFFAOYSA-N 2 2 314.477 3.901 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000544010669 341066317 /nfs/dbraw/zinc/06/63/17/341066317.db2.gz WMIOZDAIPZITDJ-UHFFFAOYSA-N 2 2 322.880 3.581 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000544010669 341066318 /nfs/dbraw/zinc/06/63/18/341066318.db2.gz WMIOZDAIPZITDJ-UHFFFAOYSA-N 2 2 322.880 3.581 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3c3ccccn3)c2)c[nH+]1 ZINC000544350444 341077496 /nfs/dbraw/zinc/07/74/96/341077496.db2.gz CASNNIUQOUYVJK-QGZVFWFLSA-N 2 2 310.426 3.666 20 0 DHADLP Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000544369989 341078551 /nfs/dbraw/zinc/07/85/51/341078551.db2.gz WQTLPNHKKKLOCY-QGZVFWFLSA-N 2 2 305.425 3.941 20 0 DHADLP Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)c1 ZINC000544369989 341078552 /nfs/dbraw/zinc/07/85/52/341078552.db2.gz WQTLPNHKKKLOCY-QGZVFWFLSA-N 2 2 305.425 3.941 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000544830983 341095411 /nfs/dbraw/zinc/09/54/11/341095411.db2.gz OWAGNRLYNMPQEU-SNVBAGLBSA-N 2 2 320.321 3.724 20 0 DHADLP CCC[C@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544893751 341097509 /nfs/dbraw/zinc/09/75/09/341097509.db2.gz KFULQELQPRQRBJ-LBPRGKRZSA-N 2 2 324.266 3.726 20 0 DHADLP Clc1oc2ccccc2c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000133170507 341160081 /nfs/dbraw/zinc/16/00/81/341160081.db2.gz YFRYKBOJGNAENL-UHFFFAOYSA-N 2 2 303.793 3.853 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000133181195 341160757 /nfs/dbraw/zinc/16/07/57/341160757.db2.gz YDDWEAHTRGEQDH-ZDUSSCGKSA-N 2 2 306.837 3.906 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000133181195 341160758 /nfs/dbraw/zinc/16/07/58/341160758.db2.gz YDDWEAHTRGEQDH-ZDUSSCGKSA-N 2 2 306.837 3.906 20 0 DHADLP Clc1cnccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000075713684 341181217 /nfs/dbraw/zinc/18/12/17/341181217.db2.gz OPOPIFBIDJAJDO-MRXNPFEDSA-N 2 2 321.896 3.823 20 0 DHADLP Clc1cnccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000075713684 341181218 /nfs/dbraw/zinc/18/12/18/341181218.db2.gz OPOPIFBIDJAJDO-MRXNPFEDSA-N 2 2 321.896 3.823 20 0 DHADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000547278899 341203369 /nfs/dbraw/zinc/20/33/69/341203369.db2.gz UYNWTLGXSQCFPJ-AWEZNQCLSA-N 2 2 323.278 3.752 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000547278899 341203370 /nfs/dbraw/zinc/20/33/70/341203370.db2.gz UYNWTLGXSQCFPJ-AWEZNQCLSA-N 2 2 323.278 3.752 20 0 DHADLP COc1ccc([C@@H](C[NH2+]CCC(C)(C)C)[NH+]2CCCC2)cc1 ZINC000237205745 341209032 /nfs/dbraw/zinc/20/90/32/341209032.db2.gz PIMGYDIZRWOQMF-GOSISDBHSA-N 2 2 304.478 3.858 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237532657 341215340 /nfs/dbraw/zinc/21/53/40/341215340.db2.gz RFPKPIBGZDVAFN-IEBWSBKVSA-N 2 2 312.457 3.855 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237532657 341215341 /nfs/dbraw/zinc/21/53/41/341215341.db2.gz RFPKPIBGZDVAFN-IEBWSBKVSA-N 2 2 312.457 3.855 20 0 DHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549413290 341293919 /nfs/dbraw/zinc/29/39/19/341293919.db2.gz KPGNEOHERSKUQV-MAUKXSAKSA-N 2 2 308.416 3.571 20 0 DHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549413290 341293920 /nfs/dbraw/zinc/29/39/20/341293920.db2.gz KPGNEOHERSKUQV-MAUKXSAKSA-N 2 2 308.416 3.571 20 0 DHADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549413290 341293921 /nfs/dbraw/zinc/29/39/21/341293921.db2.gz KPGNEOHERSKUQV-MAUKXSAKSA-N 2 2 308.416 3.571 20 0 DHADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549413290 341293922 /nfs/dbraw/zinc/29/39/22/341293922.db2.gz KPGNEOHERSKUQV-MAUKXSAKSA-N 2 2 308.416 3.571 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCSc2ccccc2F)C1 ZINC000081516892 341294482 /nfs/dbraw/zinc/29/44/82/341294482.db2.gz VGCOGKSSMANDIM-HNNXBMFYSA-N 2 2 310.482 3.582 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCSc2ccccc2F)C1 ZINC000081516892 341294483 /nfs/dbraw/zinc/29/44/83/341294483.db2.gz VGCOGKSSMANDIM-HNNXBMFYSA-N 2 2 310.482 3.582 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC000081516892 341294484 /nfs/dbraw/zinc/29/44/84/341294484.db2.gz VGCOGKSSMANDIM-HNNXBMFYSA-N 2 2 310.482 3.582 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCSc2ccccc2F)C1 ZINC000081516892 341294485 /nfs/dbraw/zinc/29/44/85/341294485.db2.gz VGCOGKSSMANDIM-HNNXBMFYSA-N 2 2 310.482 3.582 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)ccc2OC)C1 ZINC000081569641 341297139 /nfs/dbraw/zinc/29/71/39/341297139.db2.gz POTPBZBIZLCURJ-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)ccc2OC)C1 ZINC000081569641 341297140 /nfs/dbraw/zinc/29/71/40/341297140.db2.gz POTPBZBIZLCURJ-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000081569641 341297141 /nfs/dbraw/zinc/29/71/41/341297141.db2.gz POTPBZBIZLCURJ-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000081569641 341297142 /nfs/dbraw/zinc/29/71/42/341297142.db2.gz POTPBZBIZLCURJ-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245532642 341300141 /nfs/dbraw/zinc/30/01/41/341300141.db2.gz DCTSYRIWDDJHQT-CABCVRRESA-N 2 2 301.434 3.553 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245532642 341300142 /nfs/dbraw/zinc/30/01/42/341300142.db2.gz DCTSYRIWDDJHQT-CABCVRRESA-N 2 2 301.434 3.553 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000549806818 341303665 /nfs/dbraw/zinc/30/36/65/341303665.db2.gz UGBZOZALGQCMAI-IBGZPJMESA-N 2 2 315.505 3.732 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000549806818 341303666 /nfs/dbraw/zinc/30/36/66/341303666.db2.gz UGBZOZALGQCMAI-IBGZPJMESA-N 2 2 315.505 3.732 20 0 DHADLP C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C[C@@H]1n1cc[nH+]c1 ZINC000245598722 341304480 /nfs/dbraw/zinc/30/44/80/341304480.db2.gz LZDXPLAOIOHCRM-CCKFTAQKSA-N 2 2 313.420 3.983 20 0 DHADLP C[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C[C@@H]1n1cc[nH+]c1 ZINC000245598722 341304481 /nfs/dbraw/zinc/30/44/81/341304481.db2.gz LZDXPLAOIOHCRM-CCKFTAQKSA-N 2 2 313.420 3.983 20 0 DHADLP C[C@@H]1CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000245598728 341304514 /nfs/dbraw/zinc/30/45/14/341304514.db2.gz LZDXPLAOIOHCRM-MDASCCDHSA-N 2 2 313.420 3.983 20 0 DHADLP C[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000245598728 341304515 /nfs/dbraw/zinc/30/45/15/341304515.db2.gz LZDXPLAOIOHCRM-MDASCCDHSA-N 2 2 313.420 3.983 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000550796031 341323153 /nfs/dbraw/zinc/32/31/53/341323153.db2.gz RAYSXHRSUAXCBR-SXLOBPIMSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000550796031 341323154 /nfs/dbraw/zinc/32/31/54/341323154.db2.gz RAYSXHRSUAXCBR-SXLOBPIMSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@@]1([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550860539 341324907 /nfs/dbraw/zinc/32/49/07/341324907.db2.gz LKSVELDNEXXQQD-FDFHNCONSA-N 2 2 320.480 3.839 20 0 DHADLP C[C@@]1([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550860539 341324908 /nfs/dbraw/zinc/32/49/08/341324908.db2.gz LKSVELDNEXXQQD-FDFHNCONSA-N 2 2 320.480 3.839 20 0 DHADLP CC(C)Oc1cccc([C@@H]([NH2+]CCCC[NH+](C)C)C(F)F)c1 ZINC000550893689 341325967 /nfs/dbraw/zinc/32/59/67/341325967.db2.gz ZZOPAYHATOPEPX-MRXNPFEDSA-N 2 2 314.420 3.711 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246130892 341328187 /nfs/dbraw/zinc/32/81/87/341328187.db2.gz BOSMOKQYRVWYFW-KSSFIOAISA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246130892 341328188 /nfs/dbraw/zinc/32/81/88/341328188.db2.gz BOSMOKQYRVWYFW-KSSFIOAISA-N 2 2 308.416 3.834 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000246198671 341333267 /nfs/dbraw/zinc/33/32/67/341333267.db2.gz IULZRCRCGYUPKA-KBPBESRZSA-N 2 2 309.523 3.603 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000246198671 341333268 /nfs/dbraw/zinc/33/32/68/341333268.db2.gz IULZRCRCGYUPKA-KBPBESRZSA-N 2 2 309.523 3.603 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000246198671 341333269 /nfs/dbraw/zinc/33/32/69/341333269.db2.gz IULZRCRCGYUPKA-KBPBESRZSA-N 2 2 309.523 3.603 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000246198671 341333270 /nfs/dbraw/zinc/33/32/70/341333270.db2.gz IULZRCRCGYUPKA-KBPBESRZSA-N 2 2 309.523 3.603 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000246198679 341333312 /nfs/dbraw/zinc/33/33/12/341333312.db2.gz IULZRCRCGYUPKA-UONOGXRCSA-N 2 2 309.523 3.603 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000246198679 341333313 /nfs/dbraw/zinc/33/33/13/341333313.db2.gz IULZRCRCGYUPKA-UONOGXRCSA-N 2 2 309.523 3.603 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000246198679 341333314 /nfs/dbraw/zinc/33/33/14/341333314.db2.gz IULZRCRCGYUPKA-UONOGXRCSA-N 2 2 309.523 3.603 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(C(C)(C)C)cs2)[C@@H](C)C1 ZINC000246198679 341333315 /nfs/dbraw/zinc/33/33/15/341333315.db2.gz IULZRCRCGYUPKA-UONOGXRCSA-N 2 2 309.523 3.603 20 0 DHADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246602021 341354281 /nfs/dbraw/zinc/35/42/81/341354281.db2.gz HHGVVZWMMBYIDC-NEPJUHHUSA-N 2 2 301.261 3.938 20 0 DHADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246602021 341354282 /nfs/dbraw/zinc/35/42/82/341354282.db2.gz HHGVVZWMMBYIDC-NEPJUHHUSA-N 2 2 301.261 3.938 20 0 DHADLP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1Cl ZINC000551373600 341339814 /nfs/dbraw/zinc/33/98/14/341339814.db2.gz ZYBIBSOPIHIMOE-LBPRGKRZSA-N 2 2 319.836 3.732 20 0 DHADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000551534826 341344471 /nfs/dbraw/zinc/34/44/71/341344471.db2.gz RGKGFGSFFXFRGC-MCYKXBRJSA-N 2 2 316.489 3.651 20 0 DHADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000551534826 341344472 /nfs/dbraw/zinc/34/44/72/341344472.db2.gz RGKGFGSFFXFRGC-MCYKXBRJSA-N 2 2 316.489 3.651 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000551534824 341344544 /nfs/dbraw/zinc/34/45/44/341344544.db2.gz RGKGFGSFFXFRGC-JQERWDHBSA-N 2 2 316.489 3.651 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000551534824 341344545 /nfs/dbraw/zinc/34/45/45/341344545.db2.gz RGKGFGSFFXFRGC-JQERWDHBSA-N 2 2 316.489 3.651 20 0 DHADLP CCCCOc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551569650 341345842 /nfs/dbraw/zinc/34/58/42/341345842.db2.gz VARHXTBHEMVEHD-UHFFFAOYSA-N 2 2 313.445 3.688 20 0 DHADLP CCC1CC([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)C1 ZINC000551789228 341351780 /nfs/dbraw/zinc/35/17/80/341351780.db2.gz MKXYBSZRJZYAHU-MUYFXNHWSA-N 2 2 316.489 3.665 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246573908 341353869 /nfs/dbraw/zinc/35/38/69/341353869.db2.gz LMUNNRSSFXLGSG-LPMFXHHGSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246573908 341353870 /nfs/dbraw/zinc/35/38/70/341353870.db2.gz LMUNNRSSFXLGSG-LPMFXHHGSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246573908 341353871 /nfs/dbraw/zinc/35/38/71/341353871.db2.gz LMUNNRSSFXLGSG-LPMFXHHGSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246573908 341353872 /nfs/dbraw/zinc/35/38/72/341353872.db2.gz LMUNNRSSFXLGSG-LPMFXHHGSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C[N@@H+]1C1CC1 ZINC000246935970 341358805 /nfs/dbraw/zinc/35/88/05/341358805.db2.gz GSUBGTVAAKOILC-RKVPGOIHSA-N 2 2 312.457 3.648 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C[N@H+]1C1CC1 ZINC000246935970 341358806 /nfs/dbraw/zinc/35/88/06/341358806.db2.gz GSUBGTVAAKOILC-RKVPGOIHSA-N 2 2 312.457 3.648 20 0 DHADLP CCc1ccc([C@@H](C[NH2+]C[C@@H]2CCSC2)[NH+](CC)CC)cc1 ZINC000552278044 341383576 /nfs/dbraw/zinc/38/35/76/341383576.db2.gz RPRKMACRPGTONK-PKOBYXMFSA-N 2 2 320.546 3.975 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1csc(Cl)c1 ZINC000248683682 341384203 /nfs/dbraw/zinc/38/42/03/341384203.db2.gz FKPZLIUZUCTKMR-FRRDWIJNSA-N 2 2 316.898 3.551 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1csc(Cl)c1 ZINC000248683682 341384204 /nfs/dbraw/zinc/38/42/04/341384204.db2.gz FKPZLIUZUCTKMR-FRRDWIJNSA-N 2 2 316.898 3.551 20 0 DHADLP CCCCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248730750 341385333 /nfs/dbraw/zinc/38/53/33/341385333.db2.gz OKNQPTUNXYGBGT-FUHWJXTLSA-N 2 2 304.478 3.780 20 0 DHADLP CCCCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248730750 341385334 /nfs/dbraw/zinc/38/53/34/341385334.db2.gz OKNQPTUNXYGBGT-FUHWJXTLSA-N 2 2 304.478 3.780 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248730750 341385335 /nfs/dbraw/zinc/38/53/35/341385335.db2.gz OKNQPTUNXYGBGT-FUHWJXTLSA-N 2 2 304.478 3.780 20 0 DHADLP CCCCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248730750 341385336 /nfs/dbraw/zinc/38/53/36/341385336.db2.gz OKNQPTUNXYGBGT-FUHWJXTLSA-N 2 2 304.478 3.780 20 0 DHADLP Cc1ccccc1[C@H]1C[N@H+](CCC[NH+]2CCCCC2)[C@@H](C)CO1 ZINC000249345917 341396525 /nfs/dbraw/zinc/39/65/25/341396525.db2.gz JSGPGFJECCLPBJ-AZUAARDMSA-N 2 2 316.489 3.633 20 0 DHADLP Cc1ccccc1[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@@H](C)CO1 ZINC000249345917 341396526 /nfs/dbraw/zinc/39/65/26/341396526.db2.gz JSGPGFJECCLPBJ-AZUAARDMSA-N 2 2 316.489 3.633 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000249417316 341397408 /nfs/dbraw/zinc/39/74/08/341397408.db2.gz ZOWOJSOCWWVLTM-MLGOLLRUSA-N 2 2 307.800 3.759 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000249417316 341397409 /nfs/dbraw/zinc/39/74/09/341397409.db2.gz ZOWOJSOCWWVLTM-MLGOLLRUSA-N 2 2 307.800 3.759 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C[C@H]1C ZINC000554934678 341469745 /nfs/dbraw/zinc/46/97/45/341469745.db2.gz AJYZNMJDOHICRI-UMVBOHGHSA-N 2 2 306.416 3.818 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCSC2)[NH+](CC)CC)cc1 ZINC000556211350 341497467 /nfs/dbraw/zinc/49/74/67/341497467.db2.gz AHCWXFUCFPDQSL-MSOLQXFVSA-N 2 2 306.519 3.727 20 0 DHADLP COc1cc2ccccc2cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000574875961 341771490 /nfs/dbraw/zinc/77/14/90/341771490.db2.gz NALYXABIPZNCOH-UHFFFAOYSA-N 2 2 321.424 3.671 20 0 DHADLP Cc1cccc2c(CC[NH2+]Cc3c[nH+]c4c(C)cccn34)c[nH]c21 ZINC000174448401 341827244 /nfs/dbraw/zinc/82/72/44/341827244.db2.gz WZJTXKOSPBCYLN-UHFFFAOYSA-N 2 2 318.424 3.765 20 0 DHADLP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000576810347 341864134 /nfs/dbraw/zinc/86/41/34/341864134.db2.gz DHFSNTNAYQCQCU-MRXNPFEDSA-N 2 2 319.836 3.820 20 0 DHADLP COC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(C)C ZINC000358351874 518082969 /nfs/dbraw/zinc/08/29/69/518082969.db2.gz LVUCJNGZOYEDCQ-RTBURBONSA-N 2 2 315.461 3.502 20 0 DHADLP Brc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366265954 518224898 /nfs/dbraw/zinc/22/48/98/518224898.db2.gz HHDGEYSOYGOPAD-UHFFFAOYSA-N 2 2 323.278 3.556 20 0 DHADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180458703 519678279 /nfs/dbraw/zinc/67/82/79/519678279.db2.gz WHQYVULBFBHAIX-NQIIRXRSSA-N 2 2 323.484 3.881 20 0 DHADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180458703 519678283 /nfs/dbraw/zinc/67/82/83/519678283.db2.gz WHQYVULBFBHAIX-NQIIRXRSSA-N 2 2 323.484 3.881 20 0 DHADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156367541 519784132 /nfs/dbraw/zinc/78/41/32/519784132.db2.gz YXRIGWUELKOTGB-GOSISDBHSA-N 2 2 312.413 3.522 20 0 DHADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156367541 519784133 /nfs/dbraw/zinc/78/41/33/519784133.db2.gz YXRIGWUELKOTGB-GOSISDBHSA-N 2 2 312.413 3.522 20 0 DHADLP c1cc2cccc(C[N@@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)c2[nH]1 ZINC000299739355 534475990 /nfs/dbraw/zinc/47/59/90/534475990.db2.gz NOTFSSMEXJXWRZ-KRWDZBQOSA-N 2 2 320.440 3.690 20 0 DHADLP c1cc2cccc(C[N@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)c2[nH]1 ZINC000299739355 534475997 /nfs/dbraw/zinc/47/59/97/534475997.db2.gz NOTFSSMEXJXWRZ-KRWDZBQOSA-N 2 2 320.440 3.690 20 0 DHADLP CCCCc1nc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000129647836 521296969 /nfs/dbraw/zinc/29/69/69/521296969.db2.gz XFWDETGXDDSFPS-GDBMZVCRSA-N 2 2 318.490 3.765 20 0 DHADLP CCCCc1nc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000129647836 521296978 /nfs/dbraw/zinc/29/69/78/521296978.db2.gz XFWDETGXDDSFPS-GDBMZVCRSA-N 2 2 318.490 3.765 20 0 DHADLP CCc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000157998558 521845584 /nfs/dbraw/zinc/84/55/84/521845584.db2.gz HMKNGQXOZADJSE-UWJYYQICSA-N 2 2 323.484 3.644 20 0 DHADLP CCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000157998558 521845594 /nfs/dbraw/zinc/84/55/94/521845594.db2.gz HMKNGQXOZADJSE-UWJYYQICSA-N 2 2 323.484 3.644 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000183044154 521897262 /nfs/dbraw/zinc/89/72/62/521897262.db2.gz NUKVKKLKXUACJY-UHFFFAOYSA-N 2 2 310.441 3.546 20 0 DHADLP COCC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000338009375 521976785 /nfs/dbraw/zinc/97/67/85/521976785.db2.gz QLALOCGQGVMWHH-QAPCUYQASA-N 2 2 315.461 3.974 20 0 DHADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1 ZINC000180716781 522100532 /nfs/dbraw/zinc/10/05/32/522100532.db2.gz ZIYLITXWZFBJHQ-HBFSDRIKSA-N 2 2 309.457 3.633 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@H]3CCO[C@H](C)C3)ccc2n1C1CC1 ZINC000338463568 522485455 /nfs/dbraw/zinc/48/54/55/522485455.db2.gz YFJXGMRFDXTKCB-HIFRSBDPSA-N 2 2 313.445 3.591 20 0 DHADLP CC[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1OC ZINC000363828963 522660880 /nfs/dbraw/zinc/66/08/80/522660880.db2.gz QWXRXOYHYUUVDN-KRWDZBQOSA-N 2 2 322.412 3.517 20 0 DHADLP C[N@H+](CCC(F)(F)F)[C@H]1CCC[NH+](CCC(F)(F)F)CC1 ZINC000156967687 522697078 /nfs/dbraw/zinc/69/70/78/522697078.db2.gz KWCJOMRPZKYWBJ-NSHDSACASA-N 2 2 320.321 3.678 20 0 DHADLP C[N@@H+](CCC(F)(F)F)[C@H]1CCC[NH+](CCC(F)(F)F)CC1 ZINC000156967687 522697086 /nfs/dbraw/zinc/69/70/86/522697086.db2.gz KWCJOMRPZKYWBJ-NSHDSACASA-N 2 2 320.321 3.678 20 0 DHADLP C[NH+](CCC(F)(F)F)[C@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC000156967687 522697092 /nfs/dbraw/zinc/69/70/92/522697092.db2.gz KWCJOMRPZKYWBJ-NSHDSACASA-N 2 2 320.321 3.678 20 0 DHADLP C[NH+](CCC(F)(F)F)[C@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC000156967687 522697099 /nfs/dbraw/zinc/69/70/99/522697099.db2.gz KWCJOMRPZKYWBJ-NSHDSACASA-N 2 2 320.321 3.678 20 0 DHADLP COCCC1(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000364849859 523024501 /nfs/dbraw/zinc/02/45/01/523024501.db2.gz SVZUVQYHXBMWGO-INIZCTEOSA-N 2 2 305.466 3.576 20 0 DHADLP COCCC1(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000364849859 523024508 /nfs/dbraw/zinc/02/45/08/523024508.db2.gz SVZUVQYHXBMWGO-INIZCTEOSA-N 2 2 305.466 3.576 20 0 DHADLP COCCC1(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCCCC1 ZINC000364856925 523025648 /nfs/dbraw/zinc/02/56/48/523025648.db2.gz WAIQYATYZFAHON-UHFFFAOYSA-N 2 2 305.466 3.576 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337306282 523787330 /nfs/dbraw/zinc/78/73/30/523787330.db2.gz RVCBJCXSLICHRH-WDSOQIARSA-N 2 2 315.505 3.818 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337306282 523787337 /nfs/dbraw/zinc/78/73/37/523787337.db2.gz RVCBJCXSLICHRH-WDSOQIARSA-N 2 2 315.505 3.818 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180582316 523847616 /nfs/dbraw/zinc/84/76/16/523847616.db2.gz CUBJYTQYUWCFIA-GJZGRUSLSA-N 2 2 318.358 3.893 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180582316 523847617 /nfs/dbraw/zinc/84/76/17/523847617.db2.gz CUBJYTQYUWCFIA-GJZGRUSLSA-N 2 2 318.358 3.893 20 0 DHADLP CCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)o1 ZINC000131182034 523942864 /nfs/dbraw/zinc/94/28/64/523942864.db2.gz RWVTUNWSHWLFLF-UHFFFAOYSA-N 2 2 313.376 3.765 20 0 DHADLP COc1cccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000267267542 524090730 /nfs/dbraw/zinc/09/07/30/524090730.db2.gz RPLRUEQKWHEGMX-MRXNPFEDSA-N 2 2 321.424 3.791 20 0 DHADLP COc1cccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000267267541 524155077 /nfs/dbraw/zinc/15/50/77/524155077.db2.gz RPLRUEQKWHEGMX-INIZCTEOSA-N 2 2 321.424 3.791 20 0 DHADLP C[C@@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000361496272 524285298 /nfs/dbraw/zinc/28/52/98/524285298.db2.gz KGMXLUGFIZRWON-MSOLQXFVSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337342291 524364358 /nfs/dbraw/zinc/36/43/58/524364358.db2.gz RCXHIHOQKNGNHT-DMUMMCEESA-N 2 2 315.505 3.960 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337342291 524364360 /nfs/dbraw/zinc/36/43/60/524364360.db2.gz RCXHIHOQKNGNHT-DMUMMCEESA-N 2 2 315.505 3.960 20 0 DHADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000365127002 524485388 /nfs/dbraw/zinc/48/53/88/524485388.db2.gz UUQNUJDDXRAEKM-QUCCMNQESA-N 2 2 323.484 3.687 20 0 DHADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000365127002 524485394 /nfs/dbraw/zinc/48/53/94/524485394.db2.gz UUQNUJDDXRAEKM-QUCCMNQESA-N 2 2 323.484 3.687 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)Cn1cc[nH+]c1 ZINC000180832119 524742710 /nfs/dbraw/zinc/74/27/10/524742710.db2.gz SVHJGNBCYQKQBZ-HNNXBMFYSA-N 2 2 311.385 3.694 20 0 DHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccsc2S1 ZINC000130266142 524920682 /nfs/dbraw/zinc/92/06/82/524920682.db2.gz QLDWCVMIKDKDCF-NHYWBVRUSA-N 2 2 308.516 3.890 20 0 DHADLP COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000180719661 525295224 /nfs/dbraw/zinc/29/52/24/525295224.db2.gz MKXYQWRRCNRMFH-MDZRGWNJSA-N 2 2 313.445 3.578 20 0 DHADLP COc1ccc([C@H](C)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000180719661 525295233 /nfs/dbraw/zinc/29/52/33/525295233.db2.gz MKXYQWRRCNRMFH-MDZRGWNJSA-N 2 2 313.445 3.578 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C(C)(C)c1ccccc1 ZINC000152739539 525467794 /nfs/dbraw/zinc/46/77/94/525467794.db2.gz LNZVDERJWCIPMT-MRXNPFEDSA-N 2 2 311.473 3.718 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccco1 ZINC000126851411 525502199 /nfs/dbraw/zinc/50/21/99/525502199.db2.gz XXJFZYQQABPSMG-HUUCEWRRSA-N 2 2 304.459 3.904 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccco1 ZINC000126851411 525502207 /nfs/dbraw/zinc/50/22/07/525502207.db2.gz XXJFZYQQABPSMG-HUUCEWRRSA-N 2 2 304.459 3.904 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000130526543 525650653 /nfs/dbraw/zinc/65/06/53/525650653.db2.gz MFCLGCGRQDZFSF-AUUYWEPGSA-N 2 2 319.408 3.916 20 0 DHADLP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)on2)cc1 ZINC000266900058 525730728 /nfs/dbraw/zinc/73/07/28/525730728.db2.gz GHCCKACMZKNWHP-MRXNPFEDSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)on2)cc1 ZINC000266900058 525730737 /nfs/dbraw/zinc/73/07/37/525730737.db2.gz GHCCKACMZKNWHP-MRXNPFEDSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1ccc([C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C2CC2)cc1 ZINC000180009992 525775667 /nfs/dbraw/zinc/77/56/67/525775667.db2.gz JALXMEMBLICXJW-LJQANCHMSA-N 2 2 318.424 3.817 20 0 DHADLP Cc1c([C@@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)cnn1C(C)C ZINC000191200875 525895461 /nfs/dbraw/zinc/89/54/61/525895461.db2.gz ODBWUEOQKYXOOQ-MRXNPFEDSA-N 2 2 314.477 3.555 20 0 DHADLP Cc1c([C@@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)cnn1C(C)C ZINC000191200875 525895470 /nfs/dbraw/zinc/89/54/70/525895470.db2.gz ODBWUEOQKYXOOQ-MRXNPFEDSA-N 2 2 314.477 3.555 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000158182068 525938237 /nfs/dbraw/zinc/93/82/37/525938237.db2.gz FYYBSVJWWLMYIS-QILLFSRXSA-N 2 2 313.445 3.544 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000158182068 525938246 /nfs/dbraw/zinc/93/82/46/525938246.db2.gz FYYBSVJWWLMYIS-QILLFSRXSA-N 2 2 313.445 3.544 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H](c3cccnc3)C1)CCC2 ZINC000337341168 525940554 /nfs/dbraw/zinc/94/05/54/525940554.db2.gz QAJUWXRLRLWICW-NZSAHSFTSA-N 2 2 324.472 3.780 20 0 DHADLP Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)o1 ZINC000337243037 526126036 /nfs/dbraw/zinc/12/60/36/526126036.db2.gz GJJHZUQNOVXZDK-MRXNPFEDSA-N 2 2 313.445 3.820 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267038786 526181014 /nfs/dbraw/zinc/18/10/14/526181014.db2.gz YJNZYZNWZICYFL-LBPRGKRZSA-N 2 2 302.422 3.636 20 0 DHADLP Cc1cncc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000189917851 526190545 /nfs/dbraw/zinc/19/05/45/526190545.db2.gz RFVHYPLXRCNBQD-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cncc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000189917851 526190550 /nfs/dbraw/zinc/19/05/50/526190550.db2.gz RFVHYPLXRCNBQD-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cncc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000189917851 526190556 /nfs/dbraw/zinc/19/05/56/526190556.db2.gz RFVHYPLXRCNBQD-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cncc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000189917851 526190562 /nfs/dbraw/zinc/19/05/62/526190562.db2.gz RFVHYPLXRCNBQD-WIYYLYMNSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)[C@H](C)C2 ZINC000180086746 526210370 /nfs/dbraw/zinc/21/03/70/526210370.db2.gz FBHUWWVOLXSBIY-DNVCBOLYSA-N 2 2 318.424 3.599 20 0 DHADLP C[C@H]1CC(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](C)O1 ZINC000338476993 526226025 /nfs/dbraw/zinc/22/60/25/526226025.db2.gz IDWWJPCKDZQYMS-KBPBESRZSA-N 2 2 319.474 3.617 20 0 DHADLP Fc1ccc2[nH]cc(CCC[NH2+]Cc3cccc4[nH+]ccn43)c2c1 ZINC000337273215 526368807 /nfs/dbraw/zinc/36/88/07/526368807.db2.gz DYMXRTDWDROBIK-UHFFFAOYSA-N 2 2 322.387 3.677 20 0 DHADLP c1c(CC[NH2+][C@@H]2CCSc3ccccc32)[nH+]c2ccccn12 ZINC000130581990 526397542 /nfs/dbraw/zinc/39/75/42/526397542.db2.gz RHQNENJDSRHVQJ-MRXNPFEDSA-N 2 2 309.438 3.704 20 0 DHADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3CCCOc4ccccc43)[nH]c2c1 ZINC000156202442 526500735 /nfs/dbraw/zinc/50/07/35/526500735.db2.gz SNDITSVZRQATNO-MRXNPFEDSA-N 2 2 321.424 3.999 20 0 DHADLP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000130508603 526515453 /nfs/dbraw/zinc/51/54/53/526515453.db2.gz FWKOHKNSLMYJLD-SFHVURJKSA-N 2 2 321.428 3.549 20 0 DHADLP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000130508603 526515460 /nfs/dbraw/zinc/51/54/60/526515460.db2.gz FWKOHKNSLMYJLD-SFHVURJKSA-N 2 2 321.428 3.549 20 0 DHADLP c1cc2c(cccc2CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[nH]1 ZINC000337312679 526528198 /nfs/dbraw/zinc/52/81/98/526528198.db2.gz VTAVKBSEOJMPLP-UHFFFAOYSA-N 2 2 322.437 3.747 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)C2)c1 ZINC000337348400 526548655 /nfs/dbraw/zinc/54/86/55/526548655.db2.gz YYVSZYOXKGDFJN-BHIYHBOVSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)C2)c1 ZINC000337348400 526548659 /nfs/dbraw/zinc/54/86/59/526548659.db2.gz YYVSZYOXKGDFJN-BHIYHBOVSA-N 2 2 313.489 3.714 20 0 DHADLP Cc1sccc1C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000339183998 526912938 /nfs/dbraw/zinc/91/29/38/526912938.db2.gz YUQUEUXNSPUQQK-UHFFFAOYSA-N 2 2 310.532 3.508 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337989271 527168969 /nfs/dbraw/zinc/16/89/69/527168969.db2.gz PAOMRKCAGNIFKG-HOTGVXAUSA-N 2 2 303.425 3.853 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2C)cn1 ZINC000126435022 527373751 /nfs/dbraw/zinc/37/37/51/527373751.db2.gz MDWNRYWHLYCEGX-OAHLLOKOSA-N 2 2 306.413 3.735 20 0 DHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000106166646 527426316 /nfs/dbraw/zinc/42/63/16/527426316.db2.gz LWIOXJVYXUBTPW-UHFFFAOYSA-N 2 2 321.827 3.667 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000130151083 527677721 /nfs/dbraw/zinc/67/77/21/527677721.db2.gz SDKOAGNMJSKOEO-CHWSQXEVSA-N 2 2 301.356 3.594 20 0 DHADLP FC(F)(F)c1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266741615 527687204 /nfs/dbraw/zinc/68/72/04/527687204.db2.gz LZFYWJKMUKSVRI-UHFFFAOYSA-N 2 2 309.335 3.808 20 0 DHADLP FC(F)O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337281170 527694900 /nfs/dbraw/zinc/69/49/00/527694900.db2.gz HRDBBJHFPQHIGN-HZPDHXFCSA-N 2 2 321.371 3.512 20 0 DHADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cccc(C3CC3)c2)C1 ZINC000340181232 535113740 /nfs/dbraw/zinc/11/37/40/535113740.db2.gz NFUCTPHVKHFBNP-JXFKEZNVSA-N 2 2 316.489 3.571 20 0 DHADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cccc(C3CC3)c2)C1 ZINC000340181232 535113747 /nfs/dbraw/zinc/11/37/47/535113747.db2.gz NFUCTPHVKHFBNP-JXFKEZNVSA-N 2 2 316.489 3.571 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1ccccc1F ZINC000361698263 1032059246 /nfs/dbraw/zinc/05/92/46/1032059246.db2.gz FEXIFFVOYIQAQY-UHFFFAOYSA-N 2 2 309.388 3.952 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1ccccc1F ZINC000361698263 1032059260 /nfs/dbraw/zinc/05/92/60/1032059260.db2.gz FEXIFFVOYIQAQY-UHFFFAOYSA-N 2 2 309.388 3.952 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)CC[N@@H+]1C ZINC000180437794 1013091408 /nfs/dbraw/zinc/09/14/08/1013091408.db2.gz UCTWOFIIRDMIPA-CVEARBPZSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Oc3ccccc3)o2)CC[N@H+]1C ZINC000180437794 1013091424 /nfs/dbraw/zinc/09/14/24/1013091424.db2.gz UCTWOFIIRDMIPA-CVEARBPZSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Oc3ccccc3)o2)CC[NH+]1C ZINC000180437794 1013091442 /nfs/dbraw/zinc/09/14/42/1013091442.db2.gz UCTWOFIIRDMIPA-CVEARBPZSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Oc3ccccc3)o2)CC[NH+]1C ZINC000180437794 1013091461 /nfs/dbraw/zinc/09/14/61/1013091461.db2.gz UCTWOFIIRDMIPA-CVEARBPZSA-N 2 2 314.429 3.986 20 0 DHADLP C[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cc(F)cc(F)c1 ZINC000294801472 1013147525 /nfs/dbraw/zinc/14/75/25/1013147525.db2.gz LKPVCOOYZOXFGN-CHWSQXEVSA-N 2 2 305.372 3.671 20 0 DHADLP C[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cc(F)cc(F)c1 ZINC000294801472 1013147536 /nfs/dbraw/zinc/14/75/36/1013147536.db2.gz LKPVCOOYZOXFGN-CHWSQXEVSA-N 2 2 305.372 3.671 20 0 DHADLP c1ccc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)ncc2c1 ZINC001167963668 1013186152 /nfs/dbraw/zinc/18/61/52/1013186152.db2.gz AUDYSFJUTOKNET-VCSGRIEYSA-N 2 2 321.468 3.730 20 0 DHADLP c1ccc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)ncc2c1 ZINC001167963668 1013186160 /nfs/dbraw/zinc/18/61/60/1013186160.db2.gz AUDYSFJUTOKNET-VCSGRIEYSA-N 2 2 321.468 3.730 20 0 DHADLP C[C@H](Cc1ccccn1)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000925060277 1013253074 /nfs/dbraw/zinc/25/30/74/1013253074.db2.gz OCAYAQKWTRWNEZ-IAGOWNOFSA-N 2 2 311.473 3.732 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(C2CC2)c1 ZINC000340175579 1013394373 /nfs/dbraw/zinc/39/43/73/1013394373.db2.gz NSEBRKHTCQKBKH-OAHLLOKOSA-N 2 2 309.457 3.990 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655687514 1013638730 /nfs/dbraw/zinc/63/87/30/1013638730.db2.gz YZUDRJKGQOZWLC-QZTJIDSGSA-N 2 2 322.880 3.634 20 0 DHADLP Cc1cc2c(c(C)c1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000655689573 1013641005 /nfs/dbraw/zinc/64/10/05/1013641005.db2.gz GPLYSHGNVCQGPS-LJQANCHMSA-N 2 2 321.468 3.944 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cnc2ccsc2c1 ZINC000068690919 1013692491 /nfs/dbraw/zinc/69/24/91/1013692491.db2.gz RVINWVZKMNIPLH-DUVNUKRYSA-N 2 2 301.459 3.574 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cnc2ccsc2c1 ZINC000068690919 1013692495 /nfs/dbraw/zinc/69/24/95/1013692495.db2.gz RVINWVZKMNIPLH-DUVNUKRYSA-N 2 2 301.459 3.574 20 0 DHADLP C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000340248507 1013762365 /nfs/dbraw/zinc/76/23/65/1013762365.db2.gz DNBYEZMIOULLMZ-CRAIPNDOSA-N 2 2 319.408 3.527 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnc2ccsc2c1 ZINC000655849835 1013777169 /nfs/dbraw/zinc/77/71/69/1013777169.db2.gz ZCHDVBGXSOTJGC-QRTARXTBSA-N 2 2 315.486 3.964 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cnc2ccsc2c1 ZINC000655849835 1013777173 /nfs/dbraw/zinc/77/71/73/1013777173.db2.gz ZCHDVBGXSOTJGC-QRTARXTBSA-N 2 2 315.486 3.964 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000655848462 1013773659 /nfs/dbraw/zinc/77/36/59/1013773659.db2.gz FNOAMQLWYCGMER-GTAWCEEGSA-N 2 2 313.489 3.714 20 0 DHADLP c1cncc([C@@H]2CCC[C@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000655848462 1013773662 /nfs/dbraw/zinc/77/36/62/1013773662.db2.gz FNOAMQLWYCGMER-GTAWCEEGSA-N 2 2 313.489 3.714 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cccn2)cc1 ZINC000655848188 1013774530 /nfs/dbraw/zinc/77/45/30/1013774530.db2.gz GRHHPKQHFMGZQV-FFZOFVMBSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(-n2cccn2)cc1 ZINC000655848188 1013774537 /nfs/dbraw/zinc/77/45/37/1013774537.db2.gz GRHHPKQHFMGZQV-FFZOFVMBSA-N 2 2 324.472 3.540 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)c1 ZINC000655850985 1013780430 /nfs/dbraw/zinc/78/04/30/1013780430.db2.gz OLSYAXLDCKCKTE-KFKAGJAMSA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000655850985 1013780431 /nfs/dbraw/zinc/78/04/31/1013780431.db2.gz OLSYAXLDCKCKTE-KFKAGJAMSA-N 2 2 302.462 3.671 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655856558 1013787455 /nfs/dbraw/zinc/78/74/55/1013787455.db2.gz NQGVNSIORZPDEF-CKUJCDMFSA-N 2 2 318.427 3.962 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655856558 1013787463 /nfs/dbraw/zinc/78/74/63/1013787463.db2.gz NQGVNSIORZPDEF-CKUJCDMFSA-N 2 2 318.427 3.962 20 0 DHADLP COC1(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)CCC1 ZINC000340442503 1013796178 /nfs/dbraw/zinc/79/61/78/1013796178.db2.gz XOXZIYPZZJSDNT-IEBWSBKVSA-N 2 2 316.489 3.588 20 0 DHADLP COC1(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)CCC1 ZINC000340442503 1013796181 /nfs/dbraw/zinc/79/61/81/1013796181.db2.gz XOXZIYPZZJSDNT-IEBWSBKVSA-N 2 2 316.489 3.588 20 0 DHADLP C[NH2+]C[C@H]1CC[N@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000071147401 1013834229 /nfs/dbraw/zinc/83/42/29/1013834229.db2.gz RVIHYAANBVTTGY-LLVKDONJSA-N 2 2 319.301 3.627 20 0 DHADLP C[NH2+]C[C@H]1CC[N@@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000071147401 1013834237 /nfs/dbraw/zinc/83/42/37/1013834237.db2.gz RVIHYAANBVTTGY-LLVKDONJSA-N 2 2 319.301 3.627 20 0 DHADLP CSc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000078969056 1013883987 /nfs/dbraw/zinc/88/39/87/1013883987.db2.gz HHSZBZSQLBIWRG-UHFFFAOYSA-N 2 2 313.470 3.562 20 0 DHADLP Cc1cc(F)cc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC001143586034 1014294728 /nfs/dbraw/zinc/29/47/28/1014294728.db2.gz RDGXDJADQVMOCN-UHFFFAOYSA-N 2 2 316.464 3.975 20 0 DHADLP Cc1cc(F)cc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC001143586034 1014294746 /nfs/dbraw/zinc/29/47/46/1014294746.db2.gz RDGXDJADQVMOCN-UHFFFAOYSA-N 2 2 316.464 3.975 20 0 DHADLP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177806447 1014330795 /nfs/dbraw/zinc/33/07/95/1014330795.db2.gz CTXLGFOHHYGWKJ-CQSZACIVSA-N 2 2 303.475 3.882 20 0 DHADLP Fc1ccc2c(c1)CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168003670 1014343560 /nfs/dbraw/zinc/34/35/60/1014343560.db2.gz QAKHUDZEEAHARZ-YOFSQIOKSA-N 2 2 314.448 3.589 20 0 DHADLP Fc1ccc2c(c1)CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168003670 1014343572 /nfs/dbraw/zinc/34/35/72/1014343572.db2.gz QAKHUDZEEAHARZ-YOFSQIOKSA-N 2 2 314.448 3.589 20 0 DHADLP Fc1ccc2c(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168003670 1014343579 /nfs/dbraw/zinc/34/35/79/1014343579.db2.gz QAKHUDZEEAHARZ-YOFSQIOKSA-N 2 2 314.448 3.589 20 0 DHADLP Fc1ccc2c(c1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168003670 1014343588 /nfs/dbraw/zinc/34/35/88/1014343588.db2.gz QAKHUDZEEAHARZ-YOFSQIOKSA-N 2 2 314.448 3.589 20 0 DHADLP CCOC1CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895116779 1014450223 /nfs/dbraw/zinc/45/02/23/1014450223.db2.gz TZAIGPOMBMAELD-MJYONLJCSA-N 2 2 317.477 3.506 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(Cl)o2)c2cccc[nH+]2)CC1 ZINC000895112889 1014446549 /nfs/dbraw/zinc/44/65/49/1014446549.db2.gz YSECUSZNBPTHFN-JOCQHMNTSA-N 2 2 305.809 3.605 20 0 DHADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427878918 1014540989 /nfs/dbraw/zinc/54/09/89/1014540989.db2.gz RMRAVIMAJWSIMN-KGLIPLIRSA-N 2 2 309.413 3.857 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427858984 1014541678 /nfs/dbraw/zinc/54/16/78/1014541678.db2.gz VEUFAVMTJFYBQH-ZFWWWQNUSA-N 2 2 301.459 3.661 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000427863833 1014544027 /nfs/dbraw/zinc/54/40/27/1014544027.db2.gz ZQNUHHQPGLRVOJ-JQWIXIFHSA-N 2 2 310.228 3.856 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccccc2)cc1 ZINC000427884059 1014546973 /nfs/dbraw/zinc/54/69/73/1014546973.db2.gz RZWHVEQUGAZUJD-TZIWHRDSSA-N 2 2 317.436 3.886 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)COC2 ZINC000665249981 1014552456 /nfs/dbraw/zinc/55/24/56/1014552456.db2.gz DCKDUDAGCHEADC-IPHXSNPTSA-N 2 2 322.452 3.513 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC000262035140 1014593789 /nfs/dbraw/zinc/59/37/89/1014593789.db2.gz ZJYLYLFSBAFQCS-CQSZACIVSA-N 2 2 317.864 3.628 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC000262035140 1014593810 /nfs/dbraw/zinc/59/38/10/1014593810.db2.gz ZJYLYLFSBAFQCS-CQSZACIVSA-N 2 2 317.864 3.628 20 0 DHADLP CCC[N@H+](Cc1nc(-c2cccs2)oc1C)C1CC[NH2+]CC1 ZINC000261729755 1014610325 /nfs/dbraw/zinc/61/03/25/1014610325.db2.gz QYWNEICMYRLKMR-UHFFFAOYSA-N 2 2 319.474 3.676 20 0 DHADLP CCC[N@@H+](Cc1nc(-c2cccs2)oc1C)C1CC[NH2+]CC1 ZINC000261729755 1014610333 /nfs/dbraw/zinc/61/03/33/1014610333.db2.gz QYWNEICMYRLKMR-UHFFFAOYSA-N 2 2 319.474 3.676 20 0 DHADLP CC[C@H](C[NH2+][C@@H](CCCOC)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000442720673 1014724829 /nfs/dbraw/zinc/72/48/29/1014724829.db2.gz UCPKSMXAXXGJKB-MOPGFXCFSA-N 2 2 322.468 3.757 20 0 DHADLP CC[C@@H](C[NH2+][C@H](CCCOC)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000442720676 1014723921 /nfs/dbraw/zinc/72/39/21/1014723921.db2.gz UCPKSMXAXXGJKB-RBUKOAKNSA-N 2 2 322.468 3.757 20 0 DHADLP c1c2ccccc2oc1[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000581364005 1014736632 /nfs/dbraw/zinc/73/66/32/1014736632.db2.gz GOBGTHXYVQYYDK-FOIQADDNSA-N 2 2 321.424 3.506 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1F ZINC000090963838 1014789786 /nfs/dbraw/zinc/78/97/86/1014789786.db2.gz YYFZNIKNFYYYRX-ZDUSSCGKSA-N 2 2 317.383 3.679 20 0 DHADLP C[N@H+](CCCOc1ccc2ccccc2c1)CCCn1cc[nH+]c1 ZINC000341120817 1014911368 /nfs/dbraw/zinc/91/13/68/1014911368.db2.gz IOFUWSROTBZHHF-UHFFFAOYSA-N 2 2 323.440 3.827 20 0 DHADLP C[N@@H+](CCCOc1ccc2ccccc2c1)CCCn1cc[nH+]c1 ZINC000341120817 1014911375 /nfs/dbraw/zinc/91/13/75/1014911375.db2.gz IOFUWSROTBZHHF-UHFFFAOYSA-N 2 2 323.440 3.827 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cnccn1 ZINC001168019679 1014956946 /nfs/dbraw/zinc/95/69/46/1014956946.db2.gz JJBKJZTWYAKZEP-ZMMAXQRCSA-N 2 2 324.472 3.569 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cnccn1 ZINC001168019679 1014956951 /nfs/dbraw/zinc/95/69/51/1014956951.db2.gz JJBKJZTWYAKZEP-ZMMAXQRCSA-N 2 2 324.472 3.569 20 0 DHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443651769 1015073910 /nfs/dbraw/zinc/07/39/10/1015073910.db2.gz JSVSOSXXDHZBSH-CVEARBPZSA-N 2 2 322.880 3.668 20 0 DHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443651769 1015073923 /nfs/dbraw/zinc/07/39/23/1015073923.db2.gz JSVSOSXXDHZBSH-CVEARBPZSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443651769 1015073938 /nfs/dbraw/zinc/07/39/38/1015073938.db2.gz JSVSOSXXDHZBSH-CVEARBPZSA-N 2 2 322.880 3.668 20 0 DHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443651769 1015073946 /nfs/dbraw/zinc/07/39/46/1015073946.db2.gz JSVSOSXXDHZBSH-CVEARBPZSA-N 2 2 322.880 3.668 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000474468462 1015383189 /nfs/dbraw/zinc/38/31/89/1015383189.db2.gz AVIHTGFWEIASSG-ZACQAIPSSA-N 2 2 304.478 3.651 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000474468462 1015383195 /nfs/dbraw/zinc/38/31/95/1015383195.db2.gz AVIHTGFWEIASSG-ZACQAIPSSA-N 2 2 304.478 3.651 20 0 DHADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2csc(-c3cccs3)n2)C1 ZINC000623656664 1017154855 /nfs/dbraw/zinc/15/48/55/1017154855.db2.gz ZSVBBCWARHMYRX-CYBMUJFWSA-N 2 2 321.515 3.693 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC000131010061 1015586730 /nfs/dbraw/zinc/58/67/30/1015586730.db2.gz JHFKGUSIMVLPOZ-UPTPFMHGSA-N 2 2 301.478 3.775 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]CCc1cccc(Cl)c1)c1cccnc1 ZINC000896724203 1015713996 /nfs/dbraw/zinc/71/39/96/1015713996.db2.gz VRGQKKJTKFLFND-SFHVURJKSA-N 2 2 317.864 3.560 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1F ZINC000262331276 1015767952 /nfs/dbraw/zinc/76/79/52/1015767952.db2.gz SMHOJXNHBLPLDV-YMRXKLBXSA-N 2 2 300.377 3.630 20 0 DHADLP Cc1cccn2cc(CCNc3cc[nH+]c4c(O)cccc34)[nH+]c12 ZINC000684574122 1015773053 /nfs/dbraw/zinc/77/30/53/1015773053.db2.gz DWKVUPWGCZCBHB-UHFFFAOYSA-N 2 2 318.380 3.551 20 0 DHADLP CC[C@H]([NH2+]Cc1ccnc(-c2ccccc2)c1)[C@H]1CCCC[NH2+]1 ZINC000629551062 1015810807 /nfs/dbraw/zinc/81/08/07/1015810807.db2.gz RFDPHADHYRQEJG-RBUKOAKNSA-N 2 2 309.457 3.759 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1oc3ccccc3c1C)C2 ZINC000150974844 1016002926 /nfs/dbraw/zinc/00/29/26/1016002926.db2.gz JHJLPMFJWWKTTH-CABCVRRESA-N 2 2 309.413 3.912 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)C2 ZINC000150975960 1016003342 /nfs/dbraw/zinc/00/33/42/1016003342.db2.gz WBAAKBMGSYTLOD-DGCLKSJQSA-N 2 2 307.800 3.650 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)c1cc(F)ccc1F ZINC000150976383 1016003456 /nfs/dbraw/zinc/00/34/56/1016003456.db2.gz HSYVMDBVRLPQKF-CZUORRHYSA-N 2 2 305.372 3.525 20 0 DHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000151036444 1016015289 /nfs/dbraw/zinc/01/52/89/1016015289.db2.gz HJXSMLVEEFCZIY-OCCSQVGLSA-N 2 2 319.836 3.519 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCCC2 ZINC000151134010 1016020463 /nfs/dbraw/zinc/02/04/63/1016020463.db2.gz VCFVFOHKIGWBPP-KRWDZBQOSA-N 2 2 303.837 3.984 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151327046 1016037652 /nfs/dbraw/zinc/03/76/52/1016037652.db2.gz SDEJBNBDLQPMFM-MRXNPFEDSA-N 2 2 321.424 3.791 20 0 DHADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152102408 1016342325 /nfs/dbraw/zinc/34/23/25/1016342325.db2.gz ZWQLSVUEGQYPEH-HRAATJIYSA-N 2 2 317.436 3.955 20 0 DHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268892 1016545368 /nfs/dbraw/zinc/54/53/68/1016545368.db2.gz HWHZBALVNRMNSS-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268892 1016545381 /nfs/dbraw/zinc/54/53/81/1016545381.db2.gz HWHZBALVNRMNSS-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268892 1016545389 /nfs/dbraw/zinc/54/53/89/1016545389.db2.gz HWHZBALVNRMNSS-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)cc(Cl)c2)C1 ZINC000582268892 1016545403 /nfs/dbraw/zinc/54/54/03/1016545403.db2.gz HWHZBALVNRMNSS-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP CC[C@@H](C)C[N@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001167562295 1016578157 /nfs/dbraw/zinc/57/81/57/1016578157.db2.gz JGKKIMVAOXJQBG-UYAOXDASSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@@H](C)C[N@@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001167562295 1016578163 /nfs/dbraw/zinc/57/81/63/1016578163.db2.gz JGKKIMVAOXJQBG-UYAOXDASSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@@H](C)C[NH+](CC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001167562295 1016578170 /nfs/dbraw/zinc/57/81/70/1016578170.db2.gz JGKKIMVAOXJQBG-UYAOXDASSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@@H](C)C[NH+](CC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001167562295 1016578178 /nfs/dbraw/zinc/57/81/78/1016578178.db2.gz JGKKIMVAOXJQBG-UYAOXDASSA-N 2 2 318.505 3.646 20 0 DHADLP CCC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccn1 ZINC000346978411 1016660367 /nfs/dbraw/zinc/66/03/67/1016660367.db2.gz IQONSQTZXNTGNV-GOSISDBHSA-N 2 2 306.413 3.898 20 0 DHADLP CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC000185165164 1016690857 /nfs/dbraw/zinc/69/08/57/1016690857.db2.gz VEXIZERORKKXSM-LJQANCHMSA-N 2 2 306.413 3.898 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000172847902 1016740032 /nfs/dbraw/zinc/74/00/32/1016740032.db2.gz WAAYWJGVWDHTGP-YPMHNXCESA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000172847902 1016740046 /nfs/dbraw/zinc/74/00/46/1016740046.db2.gz WAAYWJGVWDHTGP-YPMHNXCESA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000172847902 1016740050 /nfs/dbraw/zinc/74/00/50/1016740050.db2.gz WAAYWJGVWDHTGP-YPMHNXCESA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000172847902 1016740062 /nfs/dbraw/zinc/74/00/62/1016740062.db2.gz WAAYWJGVWDHTGP-YPMHNXCESA-N 2 2 301.261 3.908 20 0 DHADLP CC(C)C[C@H](C)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000281903458 1016793353 /nfs/dbraw/zinc/79/33/53/1016793353.db2.gz FXFSDZFHAMBUKW-SFHVURJKSA-N 2 2 317.521 3.703 20 0 DHADLP CC(C)C[C@H](C)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000281903458 1016793357 /nfs/dbraw/zinc/79/33/57/1016793357.db2.gz FXFSDZFHAMBUKW-SFHVURJKSA-N 2 2 317.521 3.703 20 0 DHADLP CCc1ccc([C@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2C)o1 ZINC000342605437 1016846628 /nfs/dbraw/zinc/84/66/28/1016846628.db2.gz HDCBOLVYEGPWCJ-QGZVFWFLSA-N 2 2 301.434 3.964 20 0 DHADLP CCc1ccc([C@H]2CCCCC[N@H+]2CCn2cc[nH+]c2C)o1 ZINC000342605437 1016846639 /nfs/dbraw/zinc/84/66/39/1016846639.db2.gz HDCBOLVYEGPWCJ-QGZVFWFLSA-N 2 2 301.434 3.964 20 0 DHADLP Fc1ccc(C([NH2+]CCn2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000192685272 1016981348 /nfs/dbraw/zinc/98/13/48/1016981348.db2.gz HRMOLTHQPUEKEE-UHFFFAOYSA-N 2 2 313.351 3.541 20 0 DHADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2[nH]1 ZINC000623356954 1016986749 /nfs/dbraw/zinc/98/67/49/1016986749.db2.gz QIARTXXZXBSPJH-RHSMWYFYSA-N 2 2 314.477 3.722 20 0 DHADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2[nH]1 ZINC000623356954 1016986758 /nfs/dbraw/zinc/98/67/58/1016986758.db2.gz QIARTXXZXBSPJH-RHSMWYFYSA-N 2 2 314.477 3.722 20 0 DHADLP C[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cc(F)cc(F)c1 ZINC000294801483 1032160487 /nfs/dbraw/zinc/16/04/87/1032160487.db2.gz LKPVCOOYZOXFGN-STQMWFEESA-N 2 2 305.372 3.671 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000361923561 1032156167 /nfs/dbraw/zinc/15/61/67/1032156167.db2.gz DPWGWIFBHHFVJT-MRXNPFEDSA-N 2 2 301.821 3.814 20 0 DHADLP C[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cc(F)cc(F)c1 ZINC000294801483 1032160496 /nfs/dbraw/zinc/16/04/96/1032160496.db2.gz LKPVCOOYZOXFGN-STQMWFEESA-N 2 2 305.372 3.671 20 0 DHADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1 ZINC000361967601 1032176781 /nfs/dbraw/zinc/17/67/81/1032176781.db2.gz MKLQDHXSNAYMLA-JKSUJKDBSA-N 2 2 312.910 3.818 20 0 DHADLP C[C@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CS1 ZINC000655771288 1032184204 /nfs/dbraw/zinc/18/42/04/1032184204.db2.gz GGVOLFCQHXMNKX-STQMWFEESA-N 2 2 321.877 3.899 20 0 DHADLP C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000772963651 1032199913 /nfs/dbraw/zinc/19/99/13/1032199913.db2.gz JYPHVWRVIJAKLG-QAQDUYKDSA-N 2 2 315.505 3.890 20 0 DHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001146987489 1032265037 /nfs/dbraw/zinc/26/50/37/1032265037.db2.gz UYYSVWLRUHFMFN-CHWSQXEVSA-N 2 2 314.433 3.833 20 0 DHADLP C[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@@H]1CCCC[NH2+]C1 ZINC001247016853 1032360590 /nfs/dbraw/zinc/36/05/90/1032360590.db2.gz PVHWPDBOPMQRQG-SWLSCSKDSA-N 2 2 311.267 3.584 20 0 DHADLP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H]1CCCC[NH2+]C1 ZINC001247016853 1032360598 /nfs/dbraw/zinc/36/05/98/1032360598.db2.gz PVHWPDBOPMQRQG-SWLSCSKDSA-N 2 2 311.267 3.584 20 0 DHADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000090398865 1032397094 /nfs/dbraw/zinc/39/70/94/1032397094.db2.gz SWRYGQIWSCURKM-CQSZACIVSA-N 2 2 315.486 3.767 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000091728088 1032452484 /nfs/dbraw/zinc/45/24/84/1032452484.db2.gz SWZPNJCBEYPGPE-GUTXKFCHSA-N 2 2 321.515 3.938 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000091728088 1032452491 /nfs/dbraw/zinc/45/24/91/1032452491.db2.gz SWZPNJCBEYPGPE-GUTXKFCHSA-N 2 2 321.515 3.938 20 0 DHADLP CCC[NH+]1CCC([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000179755272 1017301735 /nfs/dbraw/zinc/30/17/35/1017301735.db2.gz ZVJZBBLFHVFEIY-UHFFFAOYSA-N 2 2 308.416 3.808 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1C(F)(F)F ZINC000348188687 1032494544 /nfs/dbraw/zinc/49/45/44/1032494544.db2.gz UGFFNNZFYJYBHK-NWDGAFQWSA-N 2 2 309.335 3.568 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000093318465 1032528598 /nfs/dbraw/zinc/52/85/98/1032528598.db2.gz MBBBWIJKKMNZCK-FXAWDEMLSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000093318465 1032528602 /nfs/dbraw/zinc/52/86/02/1032528602.db2.gz MBBBWIJKKMNZCK-FXAWDEMLSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(O)c2)CC[NH+]1Cc1ccccc1 ZINC000093318465 1032528608 /nfs/dbraw/zinc/52/86/08/1032528608.db2.gz MBBBWIJKKMNZCK-FXAWDEMLSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(O)c2)CC[NH+]1Cc1ccccc1 ZINC000093318465 1032528613 /nfs/dbraw/zinc/52/86/13/1032528613.db2.gz MBBBWIJKKMNZCK-FXAWDEMLSA-N 2 2 324.468 3.877 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(C3CCCC3)s2)CC[N@@H+]1C ZINC000093644002 1032549099 /nfs/dbraw/zinc/54/90/99/1032549099.db2.gz ZHMNTGGYMGMLCT-ZFWWWQNUSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(C3CCCC3)s2)CC[N@H+]1C ZINC000093644002 1032549104 /nfs/dbraw/zinc/54/91/04/1032549104.db2.gz ZHMNTGGYMGMLCT-ZFWWWQNUSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(C3CCCC3)s2)CC[NH+]1C ZINC000093644002 1032549107 /nfs/dbraw/zinc/54/91/07/1032549107.db2.gz ZHMNTGGYMGMLCT-ZFWWWQNUSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(C3CCCC3)s2)CC[NH+]1C ZINC000093644002 1032549111 /nfs/dbraw/zinc/54/91/11/1032549111.db2.gz ZHMNTGGYMGMLCT-ZFWWWQNUSA-N 2 2 307.507 3.715 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3cccs3)s2)CC[N@@H+]1C ZINC000093644564 1032549517 /nfs/dbraw/zinc/54/95/17/1032549517.db2.gz VFCQGMIAYGAFDB-QWHCGFSZSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3cccs3)s2)CC[N@H+]1C ZINC000093644564 1032549522 /nfs/dbraw/zinc/54/95/22/1032549522.db2.gz VFCQGMIAYGAFDB-QWHCGFSZSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)CC[NH+]1C ZINC000093644564 1032549528 /nfs/dbraw/zinc/54/95/28/1032549528.db2.gz VFCQGMIAYGAFDB-QWHCGFSZSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)CC[NH+]1C ZINC000093644564 1032549555 /nfs/dbraw/zinc/54/95/55/1032549555.db2.gz VFCQGMIAYGAFDB-QWHCGFSZSA-N 2 2 321.515 3.786 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000093693785 1032552698 /nfs/dbraw/zinc/55/26/98/1032552698.db2.gz PLKAQJVZMVKHQD-CQSZACIVSA-N 2 2 307.507 3.574 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000093693785 1032552705 /nfs/dbraw/zinc/55/27/05/1032552705.db2.gz PLKAQJVZMVKHQD-CQSZACIVSA-N 2 2 307.507 3.574 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000424270119 1011967918 /nfs/dbraw/zinc/96/79/18/1011967918.db2.gz QBKLEYKMGVYQER-MJBXVCDLSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000424270119 1011967927 /nfs/dbraw/zinc/96/79/27/1011967927.db2.gz QBKLEYKMGVYQER-MJBXVCDLSA-N 2 2 308.853 3.626 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000684957455 1017101111 /nfs/dbraw/zinc/10/11/11/1017101111.db2.gz KJLJRTICMHISIX-DNVCBOLYSA-N 2 2 318.424 3.996 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000035047355 1011981264 /nfs/dbraw/zinc/98/12/64/1011981264.db2.gz SPWRAIMRELVJOQ-OAHLLOKOSA-N 2 2 310.894 3.951 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000643543638 1012050357 /nfs/dbraw/zinc/05/03/57/1012050357.db2.gz RXLSDEGULBNRID-FBBABVLZSA-N 2 2 323.484 3.960 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1Br ZINC000643546011 1012089071 /nfs/dbraw/zinc/08/90/71/1012089071.db2.gz HAJUQYIBZOJHGZ-STQMWFEESA-N 2 2 323.278 3.774 20 0 DHADLP Cc1[nH+]cc(C[NH+]2CCC3(CC3(F)F)CC2)n1-c1ccccc1 ZINC000651953507 1012189305 /nfs/dbraw/zinc/18/93/05/1012189305.db2.gz JUERHHLORFSWGV-UHFFFAOYSA-N 2 2 317.383 3.802 20 0 DHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)cc1C(F)(F)F ZINC001206770397 1012331848 /nfs/dbraw/zinc/33/18/48/1012331848.db2.gz RXORQOOFCNSPFK-MNOVXSKESA-N 2 2 320.786 3.918 20 0 DHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)cc1C(F)(F)F ZINC001206770397 1012331863 /nfs/dbraw/zinc/33/18/63/1012331863.db2.gz RXORQOOFCNSPFK-MNOVXSKESA-N 2 2 320.786 3.918 20 0 DHADLP CC(C)Oc1cc[nH+]c(N2CC3(CC[NH2+]CC3)c3ccccc32)c1 ZINC001167071163 1012447495 /nfs/dbraw/zinc/44/74/95/1012447495.db2.gz VXPWHGZLADJNBS-UHFFFAOYSA-N 2 2 323.440 3.642 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000514947881 1012510220 /nfs/dbraw/zinc/51/02/20/1012510220.db2.gz NQTXMGOBFXJVMG-LJQANCHMSA-N 2 2 318.424 3.565 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000514947881 1012510241 /nfs/dbraw/zinc/51/02/41/1012510241.db2.gz NQTXMGOBFXJVMG-LJQANCHMSA-N 2 2 318.424 3.565 20 0 DHADLP CC(C)[NH2+]CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000515346232 1012604241 /nfs/dbraw/zinc/60/42/41/1012604241.db2.gz UONNKAZJPCHIIR-UHFFFAOYSA-N 3 2 311.558 3.643 20 0 DHADLP COCCC1(C[NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000436276866 1012710436 /nfs/dbraw/zinc/71/04/36/1012710436.db2.gz VRBAWPISJVOJBB-ROUUACIJSA-N 2 2 310.526 3.826 20 0 DHADLP COCCC1(C[NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000436276866 1012710454 /nfs/dbraw/zinc/71/04/54/1012710454.db2.gz VRBAWPISJVOJBB-ROUUACIJSA-N 2 2 310.526 3.826 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000123742624 1032660279 /nfs/dbraw/zinc/66/02/79/1032660279.db2.gz CXEKKLCCUDMZRI-GXTWGEPZSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000123742624 1032660288 /nfs/dbraw/zinc/66/02/88/1032660288.db2.gz CXEKKLCCUDMZRI-GXTWGEPZSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123742624 1032660293 /nfs/dbraw/zinc/66/02/93/1032660293.db2.gz CXEKKLCCUDMZRI-GXTWGEPZSA-N 2 2 300.368 3.620 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000123742624 1032660300 /nfs/dbraw/zinc/66/03/00/1032660300.db2.gz CXEKKLCCUDMZRI-GXTWGEPZSA-N 2 2 300.368 3.620 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000179832731 1012909544 /nfs/dbraw/zinc/90/95/44/1012909544.db2.gz FFIAVCVNHAYWHS-UHFFFAOYSA-N 2 2 316.489 3.970 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)C[NH+](C)C ZINC000425945365 1012990578 /nfs/dbraw/zinc/99/05/78/1012990578.db2.gz QNZSEQKNPSCDPY-IINYFYTJSA-N 2 2 301.261 3.768 20 0 DHADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000037320293 1013005176 /nfs/dbraw/zinc/00/51/76/1013005176.db2.gz PFJUTLHPTWVMID-IUODEOHRSA-N 2 2 322.250 3.775 20 0 DHADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2csc(-c3cccs3)n2)C1 ZINC000623656664 1017154850 /nfs/dbraw/zinc/15/48/50/1017154850.db2.gz ZSVBBCWARHMYRX-CYBMUJFWSA-N 2 2 321.515 3.693 20 0 DHADLP C[C@@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC000657534118 1017213292 /nfs/dbraw/zinc/21/32/92/1017213292.db2.gz DZRZGRYRGRLQET-PKOBYXMFSA-N 2 2 323.484 3.828 20 0 DHADLP C[C@@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccn1 ZINC000657534118 1017213297 /nfs/dbraw/zinc/21/32/97/1017213297.db2.gz DZRZGRYRGRLQET-PKOBYXMFSA-N 2 2 323.484 3.828 20 0 DHADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(Br)o1 ZINC000350730097 1017323784 /nfs/dbraw/zinc/32/37/84/1017323784.db2.gz RISGKVRNDWXUQL-UHFFFAOYSA-N 2 2 317.271 3.596 20 0 DHADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(Br)o1 ZINC000350730097 1017323776 /nfs/dbraw/zinc/32/37/76/1017323776.db2.gz RISGKVRNDWXUQL-UHFFFAOYSA-N 2 2 317.271 3.596 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(C)ccc1C ZINC000624014781 1017638525 /nfs/dbraw/zinc/63/85/25/1017638525.db2.gz HGCRXQRKSVLACV-UYAOXDASSA-N 2 2 316.489 3.597 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624078083 1017671684 /nfs/dbraw/zinc/67/16/84/1017671684.db2.gz PJTMDQFGLOZPQQ-XLIONFOSSA-N 2 2 315.505 3.789 20 0 DHADLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624078083 1017671703 /nfs/dbraw/zinc/67/17/03/1017671703.db2.gz PJTMDQFGLOZPQQ-XLIONFOSSA-N 2 2 315.505 3.789 20 0 DHADLP COc1ccc([C@@H]2CCCCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000182619659 1017936307 /nfs/dbraw/zinc/93/63/07/1017936307.db2.gz STSKKTCTWRTVIN-IBGZPJMESA-N 2 2 313.445 3.899 20 0 DHADLP COc1ccc([C@@H]2CCCCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000182619659 1017936321 /nfs/dbraw/zinc/93/63/21/1017936321.db2.gz STSKKTCTWRTVIN-IBGZPJMESA-N 2 2 313.445 3.899 20 0 DHADLP CC[NH+]1CCC(Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000278183175 1018299621 /nfs/dbraw/zinc/29/96/21/1018299621.db2.gz BSAUKBULLLYPCG-UHFFFAOYSA-N 2 2 324.472 3.783 20 0 DHADLP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155641296 1018321895 /nfs/dbraw/zinc/32/18/95/1018321895.db2.gz IOEKQFOUDMVDHU-JTQLQIEISA-N 2 2 316.257 3.919 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447578899 1018437318 /nfs/dbraw/zinc/43/73/18/1018437318.db2.gz LTHMLEQDABYBAX-DNVCBOLYSA-N 2 2 324.472 3.639 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000447578899 1018437324 /nfs/dbraw/zinc/43/73/24/1018437324.db2.gz LTHMLEQDABYBAX-DNVCBOLYSA-N 2 2 324.472 3.639 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000367392340 1018455874 /nfs/dbraw/zinc/45/58/74/1018455874.db2.gz OSQAIJPBEKYEPR-KSSFIOAISA-N 2 2 320.440 3.655 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CC1(C)C ZINC000785478643 1018477111 /nfs/dbraw/zinc/47/71/11/1018477111.db2.gz XWSBJOZILBGVRS-BEFAXECRSA-N 2 2 315.505 3.746 20 0 DHADLP COc1ccc([C@H](C)C[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000447899549 1018500699 /nfs/dbraw/zinc/50/06/99/1018500699.db2.gz UIYHZDIDAYGKRD-CRAIPNDOSA-N 2 2 304.478 3.509 20 0 DHADLP COc1ccc([C@H](C)C[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000447899549 1018500707 /nfs/dbraw/zinc/50/07/07/1018500707.db2.gz UIYHZDIDAYGKRD-CRAIPNDOSA-N 2 2 304.478 3.509 20 0 DHADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000675495615 1018507767 /nfs/dbraw/zinc/50/77/67/1018507767.db2.gz KHNWMANSJPVRMD-VQIMIIECSA-N 2 2 301.478 3.634 20 0 DHADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](c2cccnc2)C2CCCCC2)C1 ZINC000675495615 1018507777 /nfs/dbraw/zinc/50/77/77/1018507777.db2.gz KHNWMANSJPVRMD-VQIMIIECSA-N 2 2 301.478 3.634 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC001168093353 1018562044 /nfs/dbraw/zinc/56/20/44/1018562044.db2.gz VMGXRIMHHUTRRC-GEALJGNFSA-N 2 2 310.441 3.585 20 0 DHADLP CO[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC000657783381 1018630919 /nfs/dbraw/zinc/63/09/19/1018630919.db2.gz XEQPTQSHNBVSML-KRWDZBQOSA-N 2 2 319.474 3.619 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000583964612 1018785107 /nfs/dbraw/zinc/78/51/07/1018785107.db2.gz UIUKKIDNKVVMEE-PBHICJAKSA-N 2 2 303.837 3.907 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2nc3ccccc3c(C)c2Cl)CC[C@H]1[NH3+] ZINC000316825761 1018871548 /nfs/dbraw/zinc/87/15/48/1018871548.db2.gz KXWFSSSCSFESLZ-UKRRQHHQSA-N 2 2 317.864 3.756 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2nc3ccccc3c(C)c2Cl)CC[C@H]1[NH3+] ZINC000316825761 1018871574 /nfs/dbraw/zinc/87/15/74/1018871574.db2.gz KXWFSSSCSFESLZ-UKRRQHHQSA-N 2 2 317.864 3.756 20 0 DHADLP CCOC1CCC([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000657826734 1018926129 /nfs/dbraw/zinc/92/61/29/1018926129.db2.gz KBJBGILODNGIGG-SOAGJPPSSA-N 2 2 316.489 3.761 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]34C[C@H]3CCC4)CC2)cc1 ZINC000922963510 1018950388 /nfs/dbraw/zinc/95/03/88/1018950388.db2.gz SRCNWTGTKZWTPI-UZLBHIALSA-N 2 2 313.489 3.501 20 0 DHADLP c1ccc(Oc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)nc1 ZINC000921536375 1018950640 /nfs/dbraw/zinc/95/06/40/1018950640.db2.gz FUMSOJHWEDGVLB-MOPGFXCFSA-N 2 2 323.440 3.590 20 0 DHADLP c1ccc(Oc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)c2)nc1 ZINC000921536375 1018950645 /nfs/dbraw/zinc/95/06/45/1018950645.db2.gz FUMSOJHWEDGVLB-MOPGFXCFSA-N 2 2 323.440 3.590 20 0 DHADLP c1[nH+]c([C@H]2CCC[N@@H+](CCCC3CCC3)C2)n2c1CCCC2 ZINC000660479440 1019057997 /nfs/dbraw/zinc/05/79/97/1019057997.db2.gz GEVBUBPTYSPGCU-KRWDZBQOSA-N 2 2 301.478 3.979 20 0 DHADLP c1[nH+]c([C@H]2CCC[N@H+](CCCC3CCC3)C2)n2c1CCCC2 ZINC000660479440 1019058021 /nfs/dbraw/zinc/05/80/21/1019058021.db2.gz GEVBUBPTYSPGCU-KRWDZBQOSA-N 2 2 301.478 3.979 20 0 DHADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(F)cnc2Cl)CC1(C)C ZINC001171625192 1032808602 /nfs/dbraw/zinc/80/86/02/1032808602.db2.gz DUOXPJVNHGWOPT-UHFFFAOYSA-N 2 2 313.848 3.615 20 0 DHADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000657843119 1019128540 /nfs/dbraw/zinc/12/85/40/1019128540.db2.gz HCAIJGXHKIDZMH-QGZVFWFLSA-N 2 2 305.853 3.928 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1)CCC2 ZINC000338770648 1019132005 /nfs/dbraw/zinc/13/20/05/1019132005.db2.gz CRMYCAGRYFNSCJ-XGXHKWSGSA-N 2 2 309.457 3.851 20 0 DHADLP Brc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959889 1019135544 /nfs/dbraw/zinc/13/55/44/1019135544.db2.gz ZQFMVQXYLDOTSL-CYBMUJFWSA-N 2 2 320.234 3.552 20 0 DHADLP Brc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959889 1019135548 /nfs/dbraw/zinc/13/55/48/1019135548.db2.gz ZQFMVQXYLDOTSL-CYBMUJFWSA-N 2 2 320.234 3.552 20 0 DHADLP COc1ccccc1C1([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171626858 1032811275 /nfs/dbraw/zinc/81/12/75/1032811275.db2.gz DNWXCOXIPDUXDQ-UHFFFAOYSA-N 2 2 316.489 3.925 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](CCC(C)C)C2CC2)CC1 ZINC000338776375 1019178248 /nfs/dbraw/zinc/17/82/48/1019178248.db2.gz JPHDGEFRZJQTCU-GOSISDBHSA-N 2 2 310.526 3.680 20 0 DHADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000089614252 1019355671 /nfs/dbraw/zinc/35/56/71/1019355671.db2.gz WXQGSPVHRIPNPS-YWZLYKJASA-N 2 2 307.441 3.574 20 0 DHADLP CC[N@H+](C)Cc1cccc(CNc2[nH+]c3ccccc3n2C)c1 ZINC000091457145 1019468402 /nfs/dbraw/zinc/46/84/02/1019468402.db2.gz NWWATMVVIMVICP-UHFFFAOYSA-N 2 2 308.429 3.637 20 0 DHADLP CC[N@@H+](C)Cc1cccc(CNc2[nH+]c3ccccc3n2C)c1 ZINC000091457145 1019468418 /nfs/dbraw/zinc/46/84/18/1019468418.db2.gz NWWATMVVIMVICP-UHFFFAOYSA-N 2 2 308.429 3.637 20 0 DHADLP C[NH+]1C(C)(C)CC([NH+]2CC(OCc3ccccc3)C2)CC1(C)C ZINC001171638211 1032833618 /nfs/dbraw/zinc/83/36/18/1032833618.db2.gz WWYSRWLALSUDLS-UHFFFAOYSA-N 2 2 316.489 3.539 20 0 DHADLP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071592 1019499489 /nfs/dbraw/zinc/49/94/89/1019499489.db2.gz UKBVIROUFGFPBA-INIZCTEOSA-N 2 2 321.424 3.951 20 0 DHADLP COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071592 1019499498 /nfs/dbraw/zinc/49/94/98/1019499498.db2.gz UKBVIROUFGFPBA-INIZCTEOSA-N 2 2 321.424 3.951 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccccc3OCC3CC3)C2)[nH]1 ZINC000092073273 1019503341 /nfs/dbraw/zinc/50/33/41/1019503341.db2.gz KBWAGCFVNQSJIB-QGZVFWFLSA-N 2 2 311.429 3.578 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccccc3OCC3CC3)C2)[nH]1 ZINC000092073273 1019503355 /nfs/dbraw/zinc/50/33/55/1019503355.db2.gz KBWAGCFVNQSJIB-QGZVFWFLSA-N 2 2 311.429 3.578 20 0 DHADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000092073285 1019505084 /nfs/dbraw/zinc/50/50/84/1019505084.db2.gz CPYBORFTHDBZHR-GFCCVEGCSA-N 2 2 304.463 3.543 20 0 DHADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000092073285 1019505094 /nfs/dbraw/zinc/50/50/94/1019505094.db2.gz CPYBORFTHDBZHR-GFCCVEGCSA-N 2 2 304.463 3.543 20 0 DHADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(CCOCC3)CC2)CC1(C)C ZINC001171639498 1032836920 /nfs/dbraw/zinc/83/69/20/1032836920.db2.gz MSISMCQXPXPQTG-UHFFFAOYSA-N 2 2 308.510 3.530 20 0 DHADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cn1)[N@H+](C)Cc1ccccc1 ZINC000092766170 1019547532 /nfs/dbraw/zinc/54/75/32/1019547532.db2.gz ALCIDAZHHJVGOR-CVEARBPZSA-N 2 2 315.436 3.782 20 0 DHADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cn1)[N@@H+](C)Cc1ccccc1 ZINC000092766170 1019547538 /nfs/dbraw/zinc/54/75/38/1019547538.db2.gz ALCIDAZHHJVGOR-CVEARBPZSA-N 2 2 315.436 3.782 20 0 DHADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(CCOC3(C)C)CC2)CC1(C)C ZINC001171641373 1032838588 /nfs/dbraw/zinc/83/85/88/1032838588.db2.gz QVERDAODSJQMIT-UHFFFAOYSA-N 2 2 322.537 3.919 20 0 DHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168703763 1019600349 /nfs/dbraw/zinc/60/03/49/1019600349.db2.gz ASMPHXSYCSXOHB-LSDHHAIUSA-N 2 2 306.881 3.517 20 0 DHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168703763 1019600353 /nfs/dbraw/zinc/60/03/53/1019600353.db2.gz ASMPHXSYCSXOHB-LSDHHAIUSA-N 2 2 306.881 3.517 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccns1 ZINC000858317942 1032845507 /nfs/dbraw/zinc/84/55/07/1032845507.db2.gz IVJWGXAPGRPRPB-VYDXJSESSA-N 2 2 315.486 3.847 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccns1 ZINC000858317942 1032845527 /nfs/dbraw/zinc/84/55/27/1032845527.db2.gz IVJWGXAPGRPRPB-VYDXJSESSA-N 2 2 315.486 3.847 20 0 DHADLP CC1(C)CC([NH2+]Cc2ccc(F)c(F)c2F)CC(C)(C)[NH2+]1 ZINC000657293151 1019692241 /nfs/dbraw/zinc/69/22/41/1019692241.db2.gz UIHDLANLNLQIJS-UHFFFAOYSA-N 2 2 300.368 3.503 20 0 DHADLP COC1([C@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000657882695 1019740312 /nfs/dbraw/zinc/74/03/12/1019740312.db2.gz UXFHKQLQBNMUPJ-HOTGVXAUSA-N 2 2 304.478 3.663 20 0 DHADLP Cl/C=C(\Cl)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278777053 1019750116 /nfs/dbraw/zinc/75/01/16/1019750116.db2.gz CUYQSBIZXXRVKF-LCYFTJDESA-N 2 2 314.260 3.718 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470390 1019853619 /nfs/dbraw/zinc/85/36/19/1019853619.db2.gz KFRJIGXFKNMKID-JQWIXIFHSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470390 1019853630 /nfs/dbraw/zinc/85/36/30/1019853630.db2.gz KFRJIGXFKNMKID-JQWIXIFHSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470390 1019853644 /nfs/dbraw/zinc/85/36/44/1019853644.db2.gz KFRJIGXFKNMKID-JQWIXIFHSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000685470390 1019853653 /nfs/dbraw/zinc/85/36/53/1019853653.db2.gz KFRJIGXFKNMKID-JQWIXIFHSA-N 2 2 306.397 3.539 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000685621377 1019980000 /nfs/dbraw/zinc/98/00/00/1019980000.db2.gz BYOJMPJZICOIHG-KAMYIIQDSA-N 2 2 324.415 3.765 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)C2 ZINC000685662308 1020023214 /nfs/dbraw/zinc/02/32/14/1020023214.db2.gz MWCJMSBZEDNSOK-BRWVUGGUSA-N 2 2 301.478 3.996 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1C1CCCCC1)C2 ZINC000685662310 1020024435 /nfs/dbraw/zinc/02/44/35/1020024435.db2.gz MWCJMSBZEDNSOK-IXDOHACOSA-N 2 2 301.478 3.996 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2ccccc21 ZINC000073715224 1020121167 /nfs/dbraw/zinc/12/11/67/1020121167.db2.gz YJWQDCFYDPBIKQ-HXUWFJFHSA-N 2 2 303.409 3.992 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2ccccc21 ZINC000073715224 1020121172 /nfs/dbraw/zinc/12/11/72/1020121172.db2.gz YJWQDCFYDPBIKQ-HXUWFJFHSA-N 2 2 303.409 3.992 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000658095250 1020141427 /nfs/dbraw/zinc/14/14/27/1020141427.db2.gz FOOFLHFCEFRTSL-UPTPFMHGSA-N 2 2 308.510 3.719 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000658095250 1020141431 /nfs/dbraw/zinc/14/14/31/1020141431.db2.gz FOOFLHFCEFRTSL-UPTPFMHGSA-N 2 2 308.510 3.719 20 0 DHADLP Fc1cc(C[NH2+][C@H](c2ccccn2)C2CC2)ccc1-n1cc[nH+]c1 ZINC000922586960 1020145914 /nfs/dbraw/zinc/14/59/14/1020145914.db2.gz URORMFBEMLBIRL-IBGZPJMESA-N 2 2 322.387 3.647 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCC=C(c4cccnc4)C3)cc2)c[nH+]1 ZINC000347725614 1020161957 /nfs/dbraw/zinc/16/19/57/1020161957.db2.gz WKXWODKPYOCRDM-UHFFFAOYSA-N 2 2 316.408 3.557 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCC=C(c4cccnc4)C3)cc2)c[nH+]1 ZINC000347725614 1020161966 /nfs/dbraw/zinc/16/19/66/1020161966.db2.gz WKXWODKPYOCRDM-UHFFFAOYSA-N 2 2 316.408 3.557 20 0 DHADLP Fc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC001171787018 1032883527 /nfs/dbraw/zinc/88/35/27/1032883527.db2.gz GDOZXEOJNYALJP-OALUTQOASA-N 2 2 324.443 3.547 20 0 DHADLP Fc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC001171787018 1032883541 /nfs/dbraw/zinc/88/35/41/1032883541.db2.gz GDOZXEOJNYALJP-OALUTQOASA-N 2 2 324.443 3.547 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(C(C)C)n1 ZINC000191473976 1020277528 /nfs/dbraw/zinc/27/75/28/1020277528.db2.gz DBRFQRFGCFQOSY-UHFFFAOYSA-N 2 2 320.506 3.938 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(C(C)C)n1 ZINC000191473976 1020277537 /nfs/dbraw/zinc/27/75/37/1020277537.db2.gz DBRFQRFGCFQOSY-UHFFFAOYSA-N 2 2 320.506 3.938 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000766006168 1020337428 /nfs/dbraw/zinc/33/74/28/1020337428.db2.gz NMZVAEWORMTFOT-JFIYKMOQSA-N 2 2 303.494 3.564 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)(C)C ZINC000766006168 1020337441 /nfs/dbraw/zinc/33/74/41/1020337441.db2.gz NMZVAEWORMTFOT-JFIYKMOQSA-N 2 2 303.494 3.564 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474482609 1020498660 /nfs/dbraw/zinc/49/86/60/1020498660.db2.gz MWDWNIMJYJZOHN-VXGQWTEUSA-N 2 2 306.416 3.818 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474482609 1020498664 /nfs/dbraw/zinc/49/86/64/1020498664.db2.gz MWDWNIMJYJZOHN-VXGQWTEUSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(Br)c1Cl ZINC000310468100 1020537386 /nfs/dbraw/zinc/53/73/86/1020537386.db2.gz YAHHTTJANZSAJN-SNVBAGLBSA-N 2 2 319.674 3.532 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000347840809 1020560140 /nfs/dbraw/zinc/56/01/40/1020560140.db2.gz DVPLWNVXEBSDFT-MJGOQNOKSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000347840809 1020560148 /nfs/dbraw/zinc/56/01/48/1020560148.db2.gz DVPLWNVXEBSDFT-MJGOQNOKSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000347840809 1020560151 /nfs/dbraw/zinc/56/01/51/1020560151.db2.gz DVPLWNVXEBSDFT-MJGOQNOKSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000347840809 1020560156 /nfs/dbraw/zinc/56/01/56/1020560156.db2.gz DVPLWNVXEBSDFT-MJGOQNOKSA-N 2 2 315.505 3.730 20 0 DHADLP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347860173 1020604352 /nfs/dbraw/zinc/60/43/52/1020604352.db2.gz RLMTZFZMLUTFOT-GOEBONIOSA-N 2 2 315.486 3.583 20 0 DHADLP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347860173 1020604359 /nfs/dbraw/zinc/60/43/59/1020604359.db2.gz RLMTZFZMLUTFOT-GOEBONIOSA-N 2 2 315.486 3.583 20 0 DHADLP Fc1cccc2c1SCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000178343601 1020739077 /nfs/dbraw/zinc/73/90/77/1020739077.db2.gz VUFWQRGQOJOWFP-HNNXBMFYSA-N 2 2 317.433 3.849 20 0 DHADLP CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@H]1[NH3+] ZINC000647497632 1020770482 /nfs/dbraw/zinc/77/04/82/1020770482.db2.gz OBZYOVZLENGARC-WMLDXEAASA-N 2 2 322.880 3.688 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC[C@H]1[NH3+] ZINC000647497632 1020770488 /nfs/dbraw/zinc/77/04/88/1020770488.db2.gz OBZYOVZLENGARC-WMLDXEAASA-N 2 2 322.880 3.688 20 0 DHADLP Cc1cccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962565 1032932650 /nfs/dbraw/zinc/93/26/50/1032932650.db2.gz FBOUUTLITTVOEH-IBGZPJMESA-N 2 2 323.484 3.923 20 0 DHADLP Cc1cccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171962565 1032932663 /nfs/dbraw/zinc/93/26/63/1032932663.db2.gz FBOUUTLITTVOEH-IBGZPJMESA-N 2 2 323.484 3.923 20 0 DHADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414063579 1020837355 /nfs/dbraw/zinc/83/73/55/1020837355.db2.gz DXSSEJKLGJGQRU-GJZGRUSLSA-N 2 2 315.486 3.803 20 0 DHADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414063579 1020837362 /nfs/dbraw/zinc/83/73/62/1020837362.db2.gz DXSSEJKLGJGQRU-GJZGRUSLSA-N 2 2 315.486 3.803 20 0 DHADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414063580 1020837614 /nfs/dbraw/zinc/83/76/14/1020837614.db2.gz DXSSEJKLGJGQRU-HUUCEWRRSA-N 2 2 315.486 3.803 20 0 DHADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414063580 1020837619 /nfs/dbraw/zinc/83/76/19/1020837619.db2.gz DXSSEJKLGJGQRU-HUUCEWRRSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924574385 1020920886 /nfs/dbraw/zinc/92/08/86/1020920886.db2.gz VUODQIIOWNNHHQ-CZUORRHYSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924574385 1020920893 /nfs/dbraw/zinc/92/08/93/1020920893.db2.gz VUODQIIOWNNHHQ-CZUORRHYSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001172884260 1033459067 /nfs/dbraw/zinc/45/90/67/1033459067.db2.gz ZVBUZIUFQFJKNC-JKIFEVAISA-N 2 2 324.921 3.847 20 0 DHADLP Cc1cc(C)cc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000613455246 1020968797 /nfs/dbraw/zinc/96/87/97/1020968797.db2.gz IFGIAFRIXSOOTP-UHFFFAOYSA-N 2 2 316.489 3.633 20 0 DHADLP CCc1cccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000613453206 1020969416 /nfs/dbraw/zinc/96/94/16/1020969416.db2.gz LPXUFGGHXTZGDG-UHFFFAOYSA-N 2 2 316.489 3.578 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+]CC[N@@H+]3CCC[C@H]3C)ccc2c1 ZINC000766270136 1020999611 /nfs/dbraw/zinc/99/96/11/1020999611.db2.gz OIWKSZCJRATGTN-HZPDHXFCSA-N 2 2 312.457 3.983 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+]CC[N@H+]3CCC[C@H]3C)ccc2c1 ZINC000766270136 1020999618 /nfs/dbraw/zinc/99/96/18/1020999618.db2.gz OIWKSZCJRATGTN-HZPDHXFCSA-N 2 2 312.457 3.983 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001172884260 1033459042 /nfs/dbraw/zinc/45/90/42/1033459042.db2.gz ZVBUZIUFQFJKNC-JKIFEVAISA-N 2 2 324.921 3.847 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001172884260 1033459054 /nfs/dbraw/zinc/45/90/54/1033459054.db2.gz ZVBUZIUFQFJKNC-JKIFEVAISA-N 2 2 324.921 3.847 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001172884260 1033459060 /nfs/dbraw/zinc/45/90/60/1033459060.db2.gz ZVBUZIUFQFJKNC-JKIFEVAISA-N 2 2 324.921 3.847 20 0 DHADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCC[C@H]4C[C@H]43)c(C)c2)CC1 ZINC000549042813 1021021636 /nfs/dbraw/zinc/02/16/36/1021021636.db2.gz NCKVAOAVQWTTQI-HQRMLTQVSA-N 2 2 313.489 3.737 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccns1 ZINC000858576789 1032951553 /nfs/dbraw/zinc/95/15/53/1032951553.db2.gz NAKWNERKPVOYHL-YCPHGPKFSA-N 2 2 307.507 3.837 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccns1 ZINC000858579666 1032954769 /nfs/dbraw/zinc/95/47/69/1032954769.db2.gz WUCMAPOISZEBSW-AWEZNQCLSA-N 2 2 307.507 3.838 20 0 DHADLP Cc1ccccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000742378816 1021115519 /nfs/dbraw/zinc/11/55/19/1021115519.db2.gz ZIGRODQOVUSYOS-UHFFFAOYSA-N 2 2 323.484 3.820 20 0 DHADLP CCC(C)(C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000742377910 1021115569 /nfs/dbraw/zinc/11/55/69/1021115569.db2.gz KPLAHGFFPHPIEJ-UHFFFAOYSA-N 2 2 303.494 3.747 20 0 DHADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337393307 1032963240 /nfs/dbraw/zinc/96/32/40/1032963240.db2.gz OICFUYWCEPLTTL-AOIWGVFYSA-N 2 2 301.478 3.572 20 0 DHADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(Cl)ccnc3Cl)(C1)CCC2 ZINC001279718871 1021243269 /nfs/dbraw/zinc/24/32/69/1021243269.db2.gz OZVSEPFTUZKISF-LSDHHAIUSA-N 2 2 314.260 3.543 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000177374225 1021258072 /nfs/dbraw/zinc/25/80/72/1021258072.db2.gz NSOUJGZPKWAIMK-YSGRDPCXSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000177374225 1021258088 /nfs/dbraw/zinc/25/80/88/1021258088.db2.gz NSOUJGZPKWAIMK-YSGRDPCXSA-N 2 2 312.432 3.987 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(OC)ccc2ccccc21 ZINC001203991310 1021259532 /nfs/dbraw/zinc/25/95/32/1021259532.db2.gz OZULIRFLCPHMSK-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c(OC)ccc2ccccc21 ZINC001203991310 1021259547 /nfs/dbraw/zinc/25/95/47/1021259547.db2.gz OZULIRFLCPHMSK-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000092043129 1021328818 /nfs/dbraw/zinc/32/88/18/1021328818.db2.gz KBYLXZRJIWXBJU-PXNSSMCTSA-N 2 2 324.468 3.765 20 0 DHADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000092043129 1021328835 /nfs/dbraw/zinc/32/88/35/1021328835.db2.gz KBYLXZRJIWXBJU-PXNSSMCTSA-N 2 2 324.468 3.765 20 0 DHADLP COc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000092043129 1021328852 /nfs/dbraw/zinc/32/88/52/1021328852.db2.gz KBYLXZRJIWXBJU-PXNSSMCTSA-N 2 2 324.468 3.765 20 0 DHADLP COc1ccc2ccccc2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000092043129 1021328866 /nfs/dbraw/zinc/32/88/66/1021328866.db2.gz KBYLXZRJIWXBJU-PXNSSMCTSA-N 2 2 324.468 3.765 20 0 DHADLP CC1(C)C[C@@H]([NH+]2Cc3ccncc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171988135 1032971585 /nfs/dbraw/zinc/97/15/85/1032971585.db2.gz PEEFHTQDCAHQBP-FQEVSTJZSA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@@H]([NH+]2Cc3ccncc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171988135 1032971605 /nfs/dbraw/zinc/97/16/05/1032971605.db2.gz PEEFHTQDCAHQBP-FQEVSTJZSA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@@H]([N@@H+]2Cc3ccncc3C2)CC[NH+]1Cc1ccccc1 ZINC001171988135 1032971616 /nfs/dbraw/zinc/97/16/16/1032971616.db2.gz PEEFHTQDCAHQBP-FQEVSTJZSA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@@H]([N@H+]2Cc3ccncc3C2)CC[NH+]1Cc1ccccc1 ZINC001171988135 1032971631 /nfs/dbraw/zinc/97/16/31/1032971631.db2.gz PEEFHTQDCAHQBP-FQEVSTJZSA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@H]([NH+]2Cc3ccncc3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171988136 1032972355 /nfs/dbraw/zinc/97/23/55/1032972355.db2.gz PEEFHTQDCAHQBP-HXUWFJFHSA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@H]([NH+]2Cc3ccncc3C2)CC[N@H+]1Cc1ccccc1 ZINC001171988136 1032972361 /nfs/dbraw/zinc/97/23/61/1032972361.db2.gz PEEFHTQDCAHQBP-HXUWFJFHSA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@H]([N@@H+]2Cc3ccncc3C2)CC[NH+]1Cc1ccccc1 ZINC001171988136 1032972368 /nfs/dbraw/zinc/97/23/68/1032972368.db2.gz PEEFHTQDCAHQBP-HXUWFJFHSA-N 2 2 321.468 3.840 20 0 DHADLP CC1(C)C[C@H]([N@H+]2Cc3ccncc3C2)CC[NH+]1Cc1ccccc1 ZINC001171988136 1032972375 /nfs/dbraw/zinc/97/23/75/1032972375.db2.gz PEEFHTQDCAHQBP-HXUWFJFHSA-N 2 2 321.468 3.840 20 0 DHADLP Cc1cccc2c1CCC[C@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850411992 1021518114 /nfs/dbraw/zinc/51/81/14/1021518114.db2.gz QNPUGBQNHBOPOO-QGZVFWFLSA-N 2 2 315.486 3.680 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000069752907 1021533953 /nfs/dbraw/zinc/53/39/53/1021533953.db2.gz KPAUJIOHUCJNEW-KDOFPFPSSA-N 2 2 307.397 3.879 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000850542948 1021594744 /nfs/dbraw/zinc/59/47/44/1021594744.db2.gz CZMMPHXKFJFTAS-WLYUNCDWSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766325017 1021661277 /nfs/dbraw/zinc/66/12/77/1021661277.db2.gz IVDWQPLRIKJGOD-RHSMWYFYSA-N 2 2 313.445 3.869 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182121844 1021663477 /nfs/dbraw/zinc/66/34/77/1021663477.db2.gz SLNLDEZHNMIQLZ-ZDUSSCGKSA-N 2 2 312.804 3.772 20 0 DHADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1(C)CCCC1 ZINC000556531453 1021758997 /nfs/dbraw/zinc/75/89/97/1021758997.db2.gz YBPMGOZERZKTFG-IBGZPJMESA-N 2 2 316.489 3.542 20 0 DHADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1(C)CCCC1 ZINC000556531453 1021759009 /nfs/dbraw/zinc/75/90/09/1021759009.db2.gz YBPMGOZERZKTFG-IBGZPJMESA-N 2 2 316.489 3.542 20 0 DHADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(C)CCCC1 ZINC000556531453 1021759017 /nfs/dbraw/zinc/75/90/17/1021759017.db2.gz YBPMGOZERZKTFG-IBGZPJMESA-N 2 2 316.489 3.542 20 0 DHADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(C)CCCC1 ZINC000556531453 1021759024 /nfs/dbraw/zinc/75/90/24/1021759024.db2.gz YBPMGOZERZKTFG-IBGZPJMESA-N 2 2 316.489 3.542 20 0 DHADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660194142 1021789516 /nfs/dbraw/zinc/78/95/16/1021789516.db2.gz FIHSUGIZIDKWFT-DOTOQJQBSA-N 2 2 324.534 3.539 20 0 DHADLP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660194142 1021789528 /nfs/dbraw/zinc/78/95/28/1021789528.db2.gz FIHSUGIZIDKWFT-DOTOQJQBSA-N 2 2 324.534 3.539 20 0 DHADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000893017913 1021802698 /nfs/dbraw/zinc/80/26/98/1021802698.db2.gz BBUXVTZQCCATBP-GUYCJALGSA-N 2 2 320.458 3.522 20 0 DHADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000893017913 1021802713 /nfs/dbraw/zinc/80/27/13/1021802713.db2.gz BBUXVTZQCCATBP-GUYCJALGSA-N 2 2 320.458 3.522 20 0 DHADLP C[N@H+](Cc1nc2ccccc2s1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122048 1033026634 /nfs/dbraw/zinc/02/66/34/1033026634.db2.gz VZJCHPAACOQAKX-QDMKHBRRSA-N 2 2 315.486 3.743 20 0 DHADLP C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172122048 1033026645 /nfs/dbraw/zinc/02/66/45/1033026645.db2.gz VZJCHPAACOQAKX-QDMKHBRRSA-N 2 2 315.486 3.743 20 0 DHADLP C[NH+](Cc1nc2ccccc2s1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172122048 1033026675 /nfs/dbraw/zinc/02/66/75/1033026675.db2.gz VZJCHPAACOQAKX-QDMKHBRRSA-N 2 2 315.486 3.743 20 0 DHADLP C[NH+](Cc1nc2ccccc2s1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172122048 1033026686 /nfs/dbraw/zinc/02/66/86/1033026686.db2.gz VZJCHPAACOQAKX-QDMKHBRRSA-N 2 2 315.486 3.743 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cnn(C2CCCC2)c1 ZINC000337490668 1033027314 /nfs/dbraw/zinc/02/73/14/1033027314.db2.gz VZZIPMDBBFQIOB-HNNXBMFYSA-N 2 2 313.449 3.546 20 0 DHADLP CC(C)c1ccccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001168849368 1022161914 /nfs/dbraw/zinc/16/19/14/1022161914.db2.gz ZCVDPKGBWLJNRV-QGZVFWFLSA-N 2 2 311.473 3.998 20 0 DHADLP CC(C)c1ccccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001168849368 1022161918 /nfs/dbraw/zinc/16/19/18/1022161918.db2.gz ZCVDPKGBWLJNRV-QGZVFWFLSA-N 2 2 311.473 3.998 20 0 DHADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001169068602 1022239784 /nfs/dbraw/zinc/23/97/84/1022239784.db2.gz QSQDGPYBLDOTTN-PMACEKPBSA-N 2 2 300.490 3.718 20 0 DHADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001169068602 1022239789 /nfs/dbraw/zinc/23/97/89/1022239789.db2.gz QSQDGPYBLDOTTN-PMACEKPBSA-N 2 2 300.490 3.718 20 0 DHADLP Cc1ccccc1[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC001169080995 1022249978 /nfs/dbraw/zinc/24/99/78/1022249978.db2.gz OSMGYKFHPOSMTH-WERVVEIQSA-N 2 2 321.468 3.694 20 0 DHADLP Cc1ccccc1[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC001169080995 1022249986 /nfs/dbraw/zinc/24/99/86/1022249986.db2.gz OSMGYKFHPOSMTH-WERVVEIQSA-N 2 2 321.468 3.694 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3Cl)CCC1)C2 ZINC001169116273 1022258912 /nfs/dbraw/zinc/25/89/12/1022258912.db2.gz PMHJTZCXMOLIQG-QKDCVEJESA-N 2 2 304.865 3.934 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccccc3Cl)CCC1)C2 ZINC001169116273 1022258917 /nfs/dbraw/zinc/25/89/17/1022258917.db2.gz PMHJTZCXMOLIQG-QKDCVEJESA-N 2 2 304.865 3.934 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccc(F)cc1F)C2 ZINC001169155308 1022286409 /nfs/dbraw/zinc/28/64/09/1022286409.db2.gz MRRIZPPBPQJLFW-BASYENTBSA-N 2 2 306.400 3.727 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H]1c1ccc(F)cc1F)C2 ZINC001169155308 1022286435 /nfs/dbraw/zinc/28/64/35/1022286435.db2.gz MRRIZPPBPQJLFW-BASYENTBSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1c1ccc(F)cc1F)C2 ZINC001169155308 1022286444 /nfs/dbraw/zinc/28/64/44/1022286444.db2.gz MRRIZPPBPQJLFW-BASYENTBSA-N 2 2 306.400 3.727 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1c1ccc(F)cc1F)C2 ZINC001169155308 1022286453 /nfs/dbraw/zinc/28/64/53/1022286453.db2.gz MRRIZPPBPQJLFW-BASYENTBSA-N 2 2 306.400 3.727 20 0 DHADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC001172224302 1033048851 /nfs/dbraw/zinc/04/88/51/1033048851.db2.gz NQZUDJYJVCBZMN-KKURMSBHSA-N 2 2 322.452 3.727 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1OC(F)F ZINC000268744829 1022374997 /nfs/dbraw/zinc/37/49/97/1022374997.db2.gz AFWDALBEICXLHW-CFVMTHIKSA-N 2 2 310.388 3.565 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1OC(F)F ZINC000268744829 1022375013 /nfs/dbraw/zinc/37/50/13/1022375013.db2.gz AFWDALBEICXLHW-CFVMTHIKSA-N 2 2 310.388 3.565 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1OC(F)F ZINC000268744831 1022376896 /nfs/dbraw/zinc/37/68/96/1022376896.db2.gz AFWDALBEICXLHW-QEJZJMRPSA-N 2 2 310.388 3.565 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1OC(F)F ZINC000268744831 1022376912 /nfs/dbraw/zinc/37/69/12/1022376912.db2.gz AFWDALBEICXLHW-QEJZJMRPSA-N 2 2 310.388 3.565 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000155980069 1022432777 /nfs/dbraw/zinc/43/27/77/1022432777.db2.gz MDKACQDDOZLGHD-YLJYHZDGSA-N 2 2 309.457 3.787 20 0 DHADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000155980069 1022432786 /nfs/dbraw/zinc/43/27/86/1022432786.db2.gz MDKACQDDOZLGHD-YLJYHZDGSA-N 2 2 309.457 3.787 20 0 DHADLP Cc1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)o1 ZINC000767374663 1022700698 /nfs/dbraw/zinc/70/06/98/1022700698.db2.gz WRZSOCYAWDOJAZ-SFHVURJKSA-N 2 2 309.413 3.704 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CCSCC1 ZINC000584808599 1022767081 /nfs/dbraw/zinc/76/70/81/1022767081.db2.gz XPVQNXMDTUGODO-HNNXBMFYSA-N 2 2 315.486 3.553 20 0 DHADLP CO[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000660238502 1022796081 /nfs/dbraw/zinc/79/60/81/1022796081.db2.gz LOZMAKMIJSGHIN-HNAYVOBHSA-N 2 2 313.445 3.728 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873358 1022832808 /nfs/dbraw/zinc/83/28/08/1022832808.db2.gz BZCHCQMPUSETMG-OAHLLOKOSA-N 2 2 323.362 3.700 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767873358 1022832815 /nfs/dbraw/zinc/83/28/15/1022832815.db2.gz BZCHCQMPUSETMG-OAHLLOKOSA-N 2 2 323.362 3.700 20 0 DHADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172319426 1033085191 /nfs/dbraw/zinc/08/51/91/1033085191.db2.gz QXBMOXNZAVKETE-HZPDHXFCSA-N 2 2 301.434 3.556 20 0 DHADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc2c(c1)CCCO2 ZINC000768103681 1022886957 /nfs/dbraw/zinc/88/69/57/1022886957.db2.gz VIGZVEYYZMSWSZ-CRAIPNDOSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc2c(c1)CCCO2 ZINC000768103681 1022886980 /nfs/dbraw/zinc/88/69/80/1022886980.db2.gz VIGZVEYYZMSWSZ-CRAIPNDOSA-N 2 2 302.462 3.537 20 0 DHADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(Br)c1 ZINC000159292600 1022896894 /nfs/dbraw/zinc/89/68/94/1022896894.db2.gz MAXNSWFEIQFHRD-UHFFFAOYSA-N 2 2 322.250 3.524 20 0 DHADLP FC(F)(F)[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925641757 1022926743 /nfs/dbraw/zinc/92/67/43/1022926743.db2.gz APSWGDVPMNCDOO-LSDHHAIUSA-N 2 2 312.379 3.597 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000857060206 1022937884 /nfs/dbraw/zinc/93/78/84/1022937884.db2.gz LZFNEQWCSXASLO-OIISXLGYSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC2(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000857060206 1022937893 /nfs/dbraw/zinc/93/78/93/1022937893.db2.gz LZFNEQWCSXASLO-OIISXLGYSA-N 2 2 308.416 3.532 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319232916 1022938251 /nfs/dbraw/zinc/93/82/51/1022938251.db2.gz OXFKPPSPJZFZKI-PBHICJAKSA-N 2 2 303.425 3.658 20 0 DHADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000387071733 1023118142 /nfs/dbraw/zinc/11/81/42/1023118142.db2.gz UNDBTSKTBMTLNO-GOEBONIOSA-N 2 2 312.379 3.669 20 0 DHADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000387071733 1023118153 /nfs/dbraw/zinc/11/81/53/1023118153.db2.gz UNDBTSKTBMTLNO-GOEBONIOSA-N 2 2 312.379 3.669 20 0 DHADLP C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000320579989 1023239619 /nfs/dbraw/zinc/23/96/19/1023239619.db2.gz XSNIBZBAYKRJOR-MRXNPFEDSA-N 2 2 301.478 3.856 20 0 DHADLP Cc1cc(CNc2ccc3c(c2)C[N@H+](C)C3)c2c([nH+]1)CCCC2 ZINC000893376416 1023241527 /nfs/dbraw/zinc/24/15/27/1023241527.db2.gz KXKCBIFCQOLWCJ-UHFFFAOYSA-N 2 2 307.441 3.826 20 0 DHADLP Cc1cc(CNc2ccc3c(c2)C[N@@H+](C)C3)c2c([nH+]1)CCCC2 ZINC000893376416 1023241534 /nfs/dbraw/zinc/24/15/34/1023241534.db2.gz KXKCBIFCQOLWCJ-UHFFFAOYSA-N 2 2 307.441 3.826 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)n2c1CCCC2 ZINC000660479728 1023272468 /nfs/dbraw/zinc/27/24/68/1023272468.db2.gz IDVQXMYVGBYWET-TVFCKZIOSA-N 2 2 313.489 3.835 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)n2c1CCCC2 ZINC000660479728 1023272476 /nfs/dbraw/zinc/27/24/76/1023272476.db2.gz IDVQXMYVGBYWET-TVFCKZIOSA-N 2 2 313.489 3.835 20 0 DHADLP CC[C@@H](C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172335074 1033120776 /nfs/dbraw/zinc/12/07/76/1033120776.db2.gz NWFOLUYKYNZRHU-NSHGMRRFSA-N 2 2 318.505 3.834 20 0 DHADLP CC[C@@H](C)OCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172335074 1033120778 /nfs/dbraw/zinc/12/07/78/1033120778.db2.gz NWFOLUYKYNZRHU-NSHGMRRFSA-N 2 2 318.505 3.834 20 0 DHADLP Clc1nccc2oc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc21 ZINC000876681114 1033121080 /nfs/dbraw/zinc/12/10/80/1033121080.db2.gz XVWIENOEXIPEDX-LBPRGKRZSA-N 2 2 316.792 3.515 20 0 DHADLP Clc1nccc2oc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc21 ZINC000876681114 1033121085 /nfs/dbraw/zinc/12/10/85/1033121085.db2.gz XVWIENOEXIPEDX-LBPRGKRZSA-N 2 2 316.792 3.515 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1ncco1 ZINC000924669116 1033122110 /nfs/dbraw/zinc/12/21/10/1033122110.db2.gz IYCFTAGSPUTKEF-CVEARBPZSA-N 2 2 313.445 3.900 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ncco1 ZINC000924669116 1033122116 /nfs/dbraw/zinc/12/21/16/1033122116.db2.gz IYCFTAGSPUTKEF-CVEARBPZSA-N 2 2 313.445 3.900 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000651676176 1023452448 /nfs/dbraw/zinc/45/24/48/1023452448.db2.gz RDIDXRCUANHKSW-HOTGVXAUSA-N 2 2 306.413 3.684 20 0 DHADLP CC[C@H](C)OCC[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172349847 1033133690 /nfs/dbraw/zinc/13/36/90/1033133690.db2.gz MRWHRWXKNIJEEO-GJZGRUSLSA-N 2 2 301.434 3.775 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2cccc3c2CCC3)CC1 ZINC000651810194 1023564595 /nfs/dbraw/zinc/56/45/95/1023564595.db2.gz QEBUIDIWMDNZGM-UHFFFAOYSA-N 2 2 324.468 3.865 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2cccc3c2CCC3)CC1 ZINC000651810194 1023564599 /nfs/dbraw/zinc/56/45/99/1023564599.db2.gz QEBUIDIWMDNZGM-UHFFFAOYSA-N 2 2 324.468 3.865 20 0 DHADLP Clc1ccc2c(n1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000788586294 1023910682 /nfs/dbraw/zinc/91/06/82/1023910682.db2.gz AJWRRLYJIGXTBM-AWEZNQCLSA-N 2 2 316.836 3.599 20 0 DHADLP CCC1([NH3+])CC[NH+]([C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000925758023 1023986385 /nfs/dbraw/zinc/98/63/85/1023986385.db2.gz AJFZVOAXYURQQA-GFCCVEGCSA-N 2 2 300.368 3.970 20 0 DHADLP CC[C@@H](CC(C)C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001172395250 1033177999 /nfs/dbraw/zinc/17/79/99/1033177999.db2.gz JUVIPYPPBJBPCQ-LSDHHAIUSA-N 2 2 313.283 3.863 20 0 DHADLP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000876886184 1033175370 /nfs/dbraw/zinc/17/53/70/1033175370.db2.gz WEQUXWLLKZDNFH-HUUCEWRRSA-N 2 2 313.272 3.607 20 0 DHADLP CC[C@H](CC(C)C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001172397184 1033180574 /nfs/dbraw/zinc/18/05/74/1033180574.db2.gz JTNRVXZMMLSLLE-BRWVUGGUSA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001172397184 1033180584 /nfs/dbraw/zinc/18/05/84/1033180584.db2.gz JTNRVXZMMLSLLE-BRWVUGGUSA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001172397184 1033180590 /nfs/dbraw/zinc/18/05/90/1033180590.db2.gz JTNRVXZMMLSLLE-BRWVUGGUSA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001172397184 1033180599 /nfs/dbraw/zinc/18/05/99/1033180599.db2.gz JTNRVXZMMLSLLE-BRWVUGGUSA-N 2 2 321.534 3.864 20 0 DHADLP CC[C@H](CC(C)C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001172396902 1033181969 /nfs/dbraw/zinc/18/19/69/1033181969.db2.gz HPNPLDSIZUXACD-DLBZAZTESA-N 2 2 320.525 3.925 20 0 DHADLP CC[C@H](CC(C)C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001172396902 1033181973 /nfs/dbraw/zinc/18/19/73/1033181973.db2.gz HPNPLDSIZUXACD-DLBZAZTESA-N 2 2 320.525 3.925 20 0 DHADLP CC[C@H](CC(C)C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001172396902 1033181977 /nfs/dbraw/zinc/18/19/77/1033181977.db2.gz HPNPLDSIZUXACD-DLBZAZTESA-N 2 2 320.525 3.925 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268743283 1024150374 /nfs/dbraw/zinc/15/03/74/1024150374.db2.gz DPKJNFNSCGQDEI-MRXNPFEDSA-N 2 2 309.413 3.635 20 0 DHADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268760857 1024152714 /nfs/dbraw/zinc/15/27/14/1024152714.db2.gz LLXNOMBTSZJYBB-FQEVSTJZSA-N 2 2 321.399 3.848 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1SC ZINC000268766850 1024155306 /nfs/dbraw/zinc/15/53/06/1024155306.db2.gz JPJSCGCYCQZADT-IMJJTQAJSA-N 2 2 320.502 3.695 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1SC ZINC000268766850 1024155311 /nfs/dbraw/zinc/15/53/11/1024155311.db2.gz JPJSCGCYCQZADT-IMJJTQAJSA-N 2 2 320.502 3.695 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000268797923 1024162451 /nfs/dbraw/zinc/16/24/51/1024162451.db2.gz JDTHLMQVWUVVTB-NTZNESFSSA-N 2 2 323.893 3.768 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000268797923 1024162460 /nfs/dbraw/zinc/16/24/60/1024162460.db2.gz JDTHLMQVWUVVTB-NTZNESFSSA-N 2 2 323.893 3.768 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000268802829 1024166761 /nfs/dbraw/zinc/16/67/61/1024166761.db2.gz IBOFCMOWSGCZJZ-CHWSQXEVSA-N 2 2 307.825 3.675 20 0 DHADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000268845944 1024176528 /nfs/dbraw/zinc/17/65/28/1024176528.db2.gz VGLLDPJJCCXHGB-SWLSCSKDSA-N 2 2 309.360 3.614 20 0 DHADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000268851722 1024179606 /nfs/dbraw/zinc/17/96/06/1024179606.db2.gz WMPUGFLJUHWMGA-GXTWGEPZSA-N 2 2 309.360 3.614 20 0 DHADLP CC(C)COCC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172481122 1033192704 /nfs/dbraw/zinc/19/27/04/1033192704.db2.gz PRAYGGHAULGDTI-QGZVFWFLSA-N 2 2 310.526 3.776 20 0 DHADLP CC(C)COCC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172481122 1033192713 /nfs/dbraw/zinc/19/27/13/1033192713.db2.gz PRAYGGHAULGDTI-QGZVFWFLSA-N 2 2 310.526 3.776 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000531535280 1024201443 /nfs/dbraw/zinc/20/14/43/1024201443.db2.gz DPRLLPMWMAXLAP-UHFFFAOYSA-N 2 2 324.468 3.936 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883072831 1024231132 /nfs/dbraw/zinc/23/11/32/1024231132.db2.gz AFCRQTDMELTJBP-LJCCNALRSA-N 2 2 313.489 3.775 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883190704 1024279398 /nfs/dbraw/zinc/27/93/98/1024279398.db2.gz KFNCUUMAINQFSQ-ZHALLVOQSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883190704 1024279413 /nfs/dbraw/zinc/27/94/13/1024279413.db2.gz KFNCUUMAINQFSQ-ZHALLVOQSA-N 2 2 313.489 3.604 20 0 DHADLP Brc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269615037 1024295597 /nfs/dbraw/zinc/29/55/97/1024295597.db2.gz GKCOZJWYXQHKGL-CYBMUJFWSA-N 2 2 320.234 3.552 20 0 DHADLP Brc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269615037 1024295606 /nfs/dbraw/zinc/29/56/06/1024295606.db2.gz GKCOZJWYXQHKGL-CYBMUJFWSA-N 2 2 320.234 3.552 20 0 DHADLP CC(C)OCC[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001172439041 1033200424 /nfs/dbraw/zinc/20/04/24/1033200424.db2.gz WIEZQIGWJGSCDY-PKOBYXMFSA-N 2 2 304.478 3.617 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269669631 1024302425 /nfs/dbraw/zinc/30/24/25/1024302425.db2.gz ZWKYEQFFUKKOEZ-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269669631 1024302441 /nfs/dbraw/zinc/30/24/41/1024302441.db2.gz ZWKYEQFFUKKOEZ-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000269669631 1024302445 /nfs/dbraw/zinc/30/24/45/1024302445.db2.gz ZWKYEQFFUKKOEZ-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000269669631 1024302460 /nfs/dbraw/zinc/30/24/60/1024302460.db2.gz ZWKYEQFFUKKOEZ-RXVVDRJESA-N 2 2 323.484 3.875 20 0 DHADLP c1coc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453059519 1024308885 /nfs/dbraw/zinc/30/88/85/1024308885.db2.gz QLGDIEDVHYJMTM-UFYCRDLUSA-N 2 2 310.441 3.812 20 0 DHADLP c1coc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453059519 1024308900 /nfs/dbraw/zinc/30/89/00/1024308900.db2.gz QLGDIEDVHYJMTM-UFYCRDLUSA-N 2 2 310.441 3.812 20 0 DHADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883259596 1024330903 /nfs/dbraw/zinc/33/09/03/1024330903.db2.gz ROVXDFAHVJLYDR-DLBZAZTESA-N 2 2 322.880 3.844 20 0 DHADLP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883259596 1024330916 /nfs/dbraw/zinc/33/09/16/1024330916.db2.gz ROVXDFAHVJLYDR-DLBZAZTESA-N 2 2 322.880 3.844 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2cc(C3CC3)ccc2OC)CC1 ZINC000883265021 1024337080 /nfs/dbraw/zinc/33/70/80/1024337080.db2.gz PQTPRHHEXOSLGQ-UHFFFAOYSA-N 2 2 302.462 3.537 20 0 DHADLP CC(C)OCC[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172441679 1033204489 /nfs/dbraw/zinc/20/44/89/1033204489.db2.gz CWDQIUGSZOIHIS-SFHVURJKSA-N 2 2 318.505 3.786 20 0 DHADLP CC(C)OCC[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001172441679 1033204505 /nfs/dbraw/zinc/20/45/05/1033204505.db2.gz CWDQIUGSZOIHIS-SFHVURJKSA-N 2 2 318.505 3.786 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883367694 1024406846 /nfs/dbraw/zinc/40/68/46/1024406846.db2.gz VSXIKKZSCDXBIH-LZQZEXGQSA-N 2 2 311.429 3.625 20 0 DHADLP Cc1cncc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883387600 1024419598 /nfs/dbraw/zinc/41/95/98/1024419598.db2.gz ABQGBNJIJNHDNZ-VQIMIIECSA-N 2 2 306.413 3.679 20 0 DHADLP COc1cccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883387555 1024419765 /nfs/dbraw/zinc/41/97/65/1024419765.db2.gz ZNRIVBNHGBZCLS-JXFKEZNVSA-N 2 2 321.424 3.984 20 0 DHADLP CC(C)n1cc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883386416 1024420518 /nfs/dbraw/zinc/42/05/18/1024420518.db2.gz FVGWFPBHJMCSGJ-QFBILLFUSA-N 2 2 323.444 3.753 20 0 DHADLP c1cn(C[C@H]([NH2+][C@H]2CCCc3occc32)c2ccccc2)c[nH+]1 ZINC000883387640 1024422597 /nfs/dbraw/zinc/42/25/97/1024422597.db2.gz AWIMZRYAPPJKSM-ROUUACIJSA-N 2 2 307.397 3.885 20 0 DHADLP COC1(C[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000883388384 1024422940 /nfs/dbraw/zinc/42/29/40/1024422940.db2.gz UDQKEYKIOVQXIX-SJLPKXTDSA-N 2 2 313.445 3.562 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1Cl ZINC000925779444 1024445951 /nfs/dbraw/zinc/44/59/51/1024445951.db2.gz NNQQVRNNJNDLGY-ZJUUUORDSA-N 2 2 323.214 3.889 20 0 DHADLP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)O2)cc1 ZINC000883429235 1024434379 /nfs/dbraw/zinc/43/43/79/1024434379.db2.gz POAOURHKCABDON-ZRNYENFQSA-N 2 2 314.473 3.513 20 0 DHADLP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)O2)cc1 ZINC000883429235 1024434385 /nfs/dbraw/zinc/43/43/85/1024434385.db2.gz POAOURHKCABDON-ZRNYENFQSA-N 2 2 314.473 3.513 20 0 DHADLP CC(C)COCC[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001172456760 1033211031 /nfs/dbraw/zinc/21/10/31/1033211031.db2.gz IHVWILFRZIYWNR-UYAOXDASSA-N 2 2 318.505 3.864 20 0 DHADLP Cc1cc(C(F)(F)F)cc(N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]1 ZINC000663481478 1024449880 /nfs/dbraw/zinc/44/98/80/1024449880.db2.gz LPEXYLGCCFNIMY-UHFFFAOYSA-N 2 2 310.323 3.516 20 0 DHADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000925784862 1024515127 /nfs/dbraw/zinc/51/51/27/1024515127.db2.gz SXWLGRRDHBPGHR-QGZVFWFLSA-N 2 2 316.395 3.610 20 0 DHADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453458254 1024523573 /nfs/dbraw/zinc/52/35/73/1024523573.db2.gz VTYOHLVBNJJZMD-BTHPGYMESA-N 2 2 315.505 3.706 20 0 DHADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453458254 1024523580 /nfs/dbraw/zinc/52/35/80/1024523580.db2.gz VTYOHLVBNJJZMD-BTHPGYMESA-N 2 2 315.505 3.706 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348245792 1024553214 /nfs/dbraw/zinc/55/32/14/1024553214.db2.gz PLFGJXLRFPQCGX-XJKSGUPXSA-N 2 2 323.362 3.953 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348245792 1024553220 /nfs/dbraw/zinc/55/32/20/1024553220.db2.gz PLFGJXLRFPQCGX-XJKSGUPXSA-N 2 2 323.362 3.953 20 0 DHADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccn1 ZINC000585748380 1024588006 /nfs/dbraw/zinc/58/80/06/1024588006.db2.gz GSQZWDQBKCDGKD-UHFFFAOYSA-N 2 2 306.413 3.678 20 0 DHADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccn1 ZINC000585748380 1024588026 /nfs/dbraw/zinc/58/80/26/1024588026.db2.gz GSQZWDQBKCDGKD-UHFFFAOYSA-N 2 2 306.413 3.678 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000348255750 1024604758 /nfs/dbraw/zinc/60/47/58/1024604758.db2.gz JCLVLVIFPYOLSW-UHFFFAOYSA-N 2 2 324.428 3.677 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1coc(-c2ccc(C)cc2)n1 ZINC000348255750 1024604764 /nfs/dbraw/zinc/60/47/64/1024604764.db2.gz JCLVLVIFPYOLSW-UHFFFAOYSA-N 2 2 324.428 3.677 20 0 DHADLP CC[C@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)CCO1 ZINC001170164420 1024652653 /nfs/dbraw/zinc/65/26/53/1024652653.db2.gz JSYYNJRCZPQJFF-PLACYPQZSA-N 2 2 324.468 3.975 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000349146695 1024680441 /nfs/dbraw/zinc/68/04/41/1024680441.db2.gz HFUNGKQNTGJXNR-OAHLLOKOSA-N 2 2 324.453 3.533 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000349146695 1024680450 /nfs/dbraw/zinc/68/04/50/1024680450.db2.gz HFUNGKQNTGJXNR-OAHLLOKOSA-N 2 2 324.453 3.533 20 0 DHADLP COc1ccccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349344668 1024706500 /nfs/dbraw/zinc/70/65/00/1024706500.db2.gz IKNYYIBZLOGZIS-UHFFFAOYSA-N 2 2 313.445 3.584 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000349414498 1024715305 /nfs/dbraw/zinc/71/53/05/1024715305.db2.gz GISHAFDLCPFDOD-UHFFFAOYSA-N 2 2 313.445 3.509 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000349414498 1024715310 /nfs/dbraw/zinc/71/53/10/1024715310.db2.gz GISHAFDLCPFDOD-UHFFFAOYSA-N 2 2 313.445 3.509 20 0 DHADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001170254942 1024725955 /nfs/dbraw/zinc/72/59/55/1024725955.db2.gz LAXIAZWAWGTJIX-CVEARBPZSA-N 2 2 308.897 3.981 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C12CCCC2 ZINC000321335972 1024820145 /nfs/dbraw/zinc/82/01/45/1024820145.db2.gz QLFAXVSPBNUUEX-BRWVUGGUSA-N 2 2 319.493 3.625 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000718005994 1024821324 /nfs/dbraw/zinc/82/13/24/1024821324.db2.gz NRFZBUKXOOJXBT-OAQYLSRUSA-N 2 2 308.469 3.995 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000718005994 1024821335 /nfs/dbraw/zinc/82/13/35/1024821335.db2.gz NRFZBUKXOOJXBT-OAQYLSRUSA-N 2 2 308.469 3.995 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(F)ccc1F ZINC000162840809 1024901039 /nfs/dbraw/zinc/90/10/39/1024901039.db2.gz UPLZAPKNURBLOO-CYBMUJFWSA-N 2 2 305.372 3.903 20 0 DHADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172557076 1033252571 /nfs/dbraw/zinc/25/25/71/1033252571.db2.gz PBPPFVZGLKWEGT-GIVPXCGWSA-N 2 2 306.453 3.708 20 0 DHADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172557076 1033252580 /nfs/dbraw/zinc/25/25/80/1033252580.db2.gz PBPPFVZGLKWEGT-GIVPXCGWSA-N 2 2 306.453 3.708 20 0 DHADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119701305 1024989296 /nfs/dbraw/zinc/98/92/96/1024989296.db2.gz TWTLVDOTMBVCLK-SFHVURJKSA-N 2 2 312.457 3.649 20 0 DHADLP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119701142 1024991721 /nfs/dbraw/zinc/99/17/21/1024991721.db2.gz TWTLVDOTMBVCLK-GOSISDBHSA-N 2 2 312.457 3.649 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)CCC2 ZINC000353344651 1025033407 /nfs/dbraw/zinc/03/34/07/1025033407.db2.gz VNWDHIQGBSYEFI-UKRRQHHQSA-N 2 2 311.420 3.873 20 0 DHADLP Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000337546631 1025093485 /nfs/dbraw/zinc/09/34/85/1025093485.db2.gz LVQLOAPQGFRRDV-ZIAGYGMSSA-N 2 2 310.401 3.889 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccncc1F ZINC000338020214 1033258850 /nfs/dbraw/zinc/25/88/50/1033258850.db2.gz OAFUNSCODUMDSY-BFYDXBDKSA-N 2 2 319.468 3.914 20 0 DHADLP c1coc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000353529622 1025108403 /nfs/dbraw/zinc/10/84/03/1025108403.db2.gz JPDXOWCJGLWHMN-HXUWFJFHSA-N 2 2 310.441 3.768 20 0 DHADLP c1coc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000353529622 1025108511 /nfs/dbraw/zinc/10/85/11/1025108511.db2.gz JPDXOWCJGLWHMN-HXUWFJFHSA-N 2 2 310.441 3.768 20 0 DHADLP c1coc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000353529622 1025108557 /nfs/dbraw/zinc/10/85/57/1025108557.db2.gz JPDXOWCJGLWHMN-HXUWFJFHSA-N 2 2 310.441 3.768 20 0 DHADLP c1coc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000353529622 1025108606 /nfs/dbraw/zinc/10/86/06/1025108606.db2.gz JPDXOWCJGLWHMN-HXUWFJFHSA-N 2 2 310.441 3.768 20 0 DHADLP FC(F)c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000279673759 1025139451 /nfs/dbraw/zinc/13/94/51/1025139451.db2.gz FVJSAVHPSMNLPW-INIZCTEOSA-N 2 2 308.416 3.932 20 0 DHADLP FC(F)c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000279673759 1025139454 /nfs/dbraw/zinc/13/94/54/1025139454.db2.gz FVJSAVHPSMNLPW-INIZCTEOSA-N 2 2 308.416 3.932 20 0 DHADLP C[C@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353598405 1025145371 /nfs/dbraw/zinc/14/53/71/1025145371.db2.gz UEGIHQGAIGDFGR-AWEZNQCLSA-N 2 2 317.396 3.599 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000353642849 1025170769 /nfs/dbraw/zinc/17/07/69/1025170769.db2.gz JBXPCFKWBDVHNX-INIZCTEOSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000353642849 1025170786 /nfs/dbraw/zinc/17/07/86/1025170786.db2.gz JBXPCFKWBDVHNX-INIZCTEOSA-N 2 2 315.486 3.584 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@H]1C ZINC000353748775 1025232703 /nfs/dbraw/zinc/23/27/03/1025232703.db2.gz JBABOCSXEWQRDU-PBHICJAKSA-N 2 2 320.525 3.560 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@H]1C ZINC000353748775 1025232707 /nfs/dbraw/zinc/23/27/07/1025232707.db2.gz JBABOCSXEWQRDU-PBHICJAKSA-N 2 2 320.525 3.560 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@H]1C ZINC000353748775 1025232712 /nfs/dbraw/zinc/23/27/12/1025232712.db2.gz JBABOCSXEWQRDU-PBHICJAKSA-N 2 2 320.525 3.560 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(C(C)(C)C)c2C)C[C@H]1C ZINC000353748775 1025232717 /nfs/dbraw/zinc/23/27/17/1025232717.db2.gz JBABOCSXEWQRDU-PBHICJAKSA-N 2 2 320.525 3.560 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)C2 ZINC000112539981 1025250656 /nfs/dbraw/zinc/25/06/56/1025250656.db2.gz JYRQZMRBAUKXID-YPMHNXCESA-N 2 2 307.800 3.650 20 0 DHADLP C[NH+]1C(C)(C)CC(Nc2[nH+]cccc2-n2cccc2)CC1(C)C ZINC001170452557 1025309654 /nfs/dbraw/zinc/30/96/54/1025309654.db2.gz CFJDCXRVQMOJPU-UHFFFAOYSA-N 2 2 312.461 3.936 20 0 DHADLP CC1CCC([N@@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001168214980 1025326955 /nfs/dbraw/zinc/32/69/55/1025326955.db2.gz JVZKKOFFDVNCRK-XGHPGWEVSA-N 2 2 319.518 3.618 20 0 DHADLP CC1CCC([N@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001168214980 1025326966 /nfs/dbraw/zinc/32/69/66/1025326966.db2.gz JVZKKOFFDVNCRK-XGHPGWEVSA-N 2 2 319.518 3.618 20 0 DHADLP CC1CCC([NH+]2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001168214980 1025326980 /nfs/dbraw/zinc/32/69/80/1025326980.db2.gz JVZKKOFFDVNCRK-XGHPGWEVSA-N 2 2 319.518 3.618 20 0 DHADLP CC1CCC([NH+]2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001168214980 1025326989 /nfs/dbraw/zinc/32/69/89/1025326989.db2.gz JVZKKOFFDVNCRK-XGHPGWEVSA-N 2 2 319.518 3.618 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123839011 1025403543 /nfs/dbraw/zinc/40/35/43/1025403543.db2.gz BDPIIXOMTBPGKO-UONOGXRCSA-N 2 2 319.399 3.714 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123839011 1025403549 /nfs/dbraw/zinc/40/35/49/1025403549.db2.gz BDPIIXOMTBPGKO-UONOGXRCSA-N 2 2 319.399 3.714 20 0 DHADLP C[NH+](C)CCOc1cccc(Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001212806974 1025490437 /nfs/dbraw/zinc/49/04/37/1025490437.db2.gz DVMAUNNIIYIYGS-UHFFFAOYSA-N 2 2 322.412 3.556 20 0 DHADLP Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348361660 1025496196 /nfs/dbraw/zinc/49/61/96/1025496196.db2.gz TXUUBAGXWRMYHB-OAHLLOKOSA-N 2 2 317.502 3.576 20 0 DHADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](c1ccccc1)c1ccccn1 ZINC000128387811 1025578881 /nfs/dbraw/zinc/57/88/81/1025578881.db2.gz CIXIHNKBPYVBLC-ICSRJNTNSA-N 2 2 309.457 3.587 20 0 DHADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](c1ccccc1)c1ccccn1 ZINC000128387811 1025578892 /nfs/dbraw/zinc/57/88/92/1025578892.db2.gz CIXIHNKBPYVBLC-ICSRJNTNSA-N 2 2 309.457 3.587 20 0 DHADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](c1ccccc1)c1ccccn1 ZINC000128387811 1025578900 /nfs/dbraw/zinc/57/89/00/1025578900.db2.gz CIXIHNKBPYVBLC-ICSRJNTNSA-N 2 2 309.457 3.587 20 0 DHADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](c1ccccc1)c1ccccn1 ZINC000128387811 1025578912 /nfs/dbraw/zinc/57/89/12/1025578912.db2.gz CIXIHNKBPYVBLC-ICSRJNTNSA-N 2 2 309.457 3.587 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886502794 1025656709 /nfs/dbraw/zinc/65/67/09/1025656709.db2.gz OKWZBUYDUCSENY-SJKOYZFVSA-N 2 2 312.392 3.559 20 0 DHADLP Fc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000886612132 1025737493 /nfs/dbraw/zinc/73/74/93/1025737493.db2.gz CTIJQUBPYKWALV-SJKOYZFVSA-N 2 2 324.403 3.555 20 0 DHADLP Cc1[nH+]ccc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1Cl ZINC000355677483 1025809596 /nfs/dbraw/zinc/80/95/96/1025809596.db2.gz UQXSPIGRZDVWLZ-ZDUSSCGKSA-N 2 2 321.877 3.988 20 0 DHADLP CS[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000134579608 1025813733 /nfs/dbraw/zinc/81/37/33/1025813733.db2.gz LTWUJITUZGVRBR-QGZVFWFLSA-N 2 2 301.459 3.590 20 0 DHADLP CS[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000134579608 1025813742 /nfs/dbraw/zinc/81/37/42/1025813742.db2.gz LTWUJITUZGVRBR-QGZVFWFLSA-N 2 2 301.459 3.590 20 0 DHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ncc(C)o2)c1 ZINC000356300765 1026012976 /nfs/dbraw/zinc/01/29/76/1026012976.db2.gz FMCSBMQIKXHKBM-HNNXBMFYSA-N 2 2 301.434 3.676 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cscc1C(F)(F)F ZINC000356302035 1026013439 /nfs/dbraw/zinc/01/34/39/1026013439.db2.gz MRQIBGLYCCQHNT-MFKMUULPSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cscc1C(F)(F)F ZINC000356302035 1026013453 /nfs/dbraw/zinc/01/34/53/1026013453.db2.gz MRQIBGLYCCQHNT-MFKMUULPSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cscc1C(F)(F)F ZINC000356302035 1026013468 /nfs/dbraw/zinc/01/34/68/1026013468.db2.gz MRQIBGLYCCQHNT-MFKMUULPSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000356302035 1026013483 /nfs/dbraw/zinc/01/34/83/1026013483.db2.gz MRQIBGLYCCQHNT-MFKMUULPSA-N 2 2 306.397 3.539 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000289724870 1026146036 /nfs/dbraw/zinc/14/60/36/1026146036.db2.gz DCJZZZYEKFLAJI-KADHNRKRSA-N 2 2 321.371 3.566 20 0 DHADLP CC(C)C(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000808733133 1026385494 /nfs/dbraw/zinc/38/54/94/1026385494.db2.gz XONGIUXFSNRDDY-HKUYNNGSSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)C(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000808733133 1026385506 /nfs/dbraw/zinc/38/55/06/1026385506.db2.gz XONGIUXFSNRDDY-HKUYNNGSSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)C(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000808733133 1026385515 /nfs/dbraw/zinc/38/55/15/1026385515.db2.gz XONGIUXFSNRDDY-HKUYNNGSSA-N 2 2 316.489 3.587 20 0 DHADLP CC(C)C(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000808733133 1026385527 /nfs/dbraw/zinc/38/55/27/1026385527.db2.gz XONGIUXFSNRDDY-HKUYNNGSSA-N 2 2 316.489 3.587 20 0 DHADLP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000513544183 1026537263 /nfs/dbraw/zinc/53/72/63/1026537263.db2.gz DZIVCRQLMGHQNX-SHRNQRGKSA-N 2 2 324.921 3.770 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]2CCCC[C@@H]12 ZINC000809549142 1026556676 /nfs/dbraw/zinc/55/66/76/1026556676.db2.gz NNMBUCMFTLQKQU-VNQPRFMTSA-N 2 2 307.507 3.605 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)[C@@H]2CCCC[C@@H]12 ZINC000809549142 1026556682 /nfs/dbraw/zinc/55/66/82/1026556682.db2.gz NNMBUCMFTLQKQU-VNQPRFMTSA-N 2 2 307.507 3.605 20 0 DHADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000809633496 1026579071 /nfs/dbraw/zinc/57/90/71/1026579071.db2.gz OZXRGKIBFZLBTI-KGLIPLIRSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000809633496 1026579081 /nfs/dbraw/zinc/57/90/81/1026579081.db2.gz OZXRGKIBFZLBTI-KGLIPLIRSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000280236827 1026620890 /nfs/dbraw/zinc/62/08/90/1026620890.db2.gz HTIYHHYPRYIJFF-QWHCGFSZSA-N 2 2 311.351 3.511 20 0 DHADLP CC(C)c1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000420257298 1026792348 /nfs/dbraw/zinc/79/23/48/1026792348.db2.gz JTRXQLZFKTXKEG-INIZCTEOSA-N 2 2 316.493 3.549 20 0 DHADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420309097 1026799551 /nfs/dbraw/zinc/79/95/51/1026799551.db2.gz OFFLBWDFJSGQEH-RYUDHWBXSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420309097 1026799561 /nfs/dbraw/zinc/79/95/61/1026799561.db2.gz OFFLBWDFJSGQEH-RYUDHWBXSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420362728 1026808990 /nfs/dbraw/zinc/80/89/90/1026808990.db2.gz HRVUWFNOODOTHG-XJKSGUPXSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420362728 1026809001 /nfs/dbraw/zinc/80/90/01/1026809001.db2.gz HRVUWFNOODOTHG-XJKSGUPXSA-N 2 2 323.278 3.586 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C(C)C)c(F)c1 ZINC000421828915 1027060290 /nfs/dbraw/zinc/06/02/90/1027060290.db2.gz FZPLVUUDJVJKIN-PMUMKWKESA-N 2 2 308.441 3.604 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)C)c(F)c1 ZINC000421828915 1027060297 /nfs/dbraw/zinc/06/02/97/1027060297.db2.gz FZPLVUUDJVJKIN-PMUMKWKESA-N 2 2 308.441 3.604 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512445 1027150460 /nfs/dbraw/zinc/15/04/60/1027150460.db2.gz ZILAZCFHBYAPDE-NSHDSACASA-N 2 2 321.346 3.802 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512445 1027150466 /nfs/dbraw/zinc/15/04/66/1027150466.db2.gz ZILAZCFHBYAPDE-NSHDSACASA-N 2 2 321.346 3.802 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCSC2)C[N@H+](Cc2ccccc2)C1 ZINC000561981895 1027154892 /nfs/dbraw/zinc/15/48/92/1027154892.db2.gz APLXDTSHJLQQGD-QRQLOZEOSA-N 2 2 318.530 3.630 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCSC2)C[N@@H+](Cc2ccccc2)C1 ZINC000561981895 1027154897 /nfs/dbraw/zinc/15/48/97/1027154897.db2.gz APLXDTSHJLQQGD-QRQLOZEOSA-N 2 2 318.530 3.630 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)Cn3cc[nH+]c3)oc21 ZINC000271883890 1027170947 /nfs/dbraw/zinc/17/09/47/1027170947.db2.gz QDXBPXWLAYXTMQ-KBPBESRZSA-N 2 2 313.401 3.767 20 0 DHADLP c1ccc(COc2cccc(C[NH+]3CCC4(CC[NH2+]4)CC3)c2)cc1 ZINC000422562041 1027283926 /nfs/dbraw/zinc/28/39/26/1027283926.db2.gz PBQDFKOKWZMHLP-UHFFFAOYSA-N 2 2 322.452 3.594 20 0 DHADLP Fc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422809520 1027330363 /nfs/dbraw/zinc/33/03/63/1027330363.db2.gz RXRLSXJDMSIKEQ-ZWKOTPCHSA-N 2 2 302.368 3.548 20 0 DHADLP Fc1cc(F)cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422809519 1027332984 /nfs/dbraw/zinc/33/29/84/1027332984.db2.gz RXRLSXJDMSIKEQ-ROUUACIJSA-N 2 2 302.368 3.548 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)on1 ZINC000422794191 1027336343 /nfs/dbraw/zinc/33/63/43/1027336343.db2.gz YKGTYLWHJUIGFB-RCCFBDPRSA-N 2 2 319.493 3.979 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(COCc2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000422856561 1027343345 /nfs/dbraw/zinc/34/33/45/1027343345.db2.gz GHNBNJGBQOWLMF-LAUBAEHRSA-N 2 2 324.468 3.634 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)c1c[nH+]ccc1N ZINC000422869016 1027351586 /nfs/dbraw/zinc/35/15/86/1027351586.db2.gz WPSLBAUKGIWSCY-VIFPVBQESA-N 2 2 313.298 3.503 20 0 DHADLP Clc1ccc(C[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC000422945794 1027376014 /nfs/dbraw/zinc/37/60/14/1027376014.db2.gz NWSWAMPYYNADRJ-ZWKOTPCHSA-N 2 2 300.833 3.575 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)c2ccccc21 ZINC000422951305 1027379120 /nfs/dbraw/zinc/37/91/20/1027379120.db2.gz XYBDFXDQAHQQGM-KURKYZTESA-N 2 2 312.388 3.774 20 0 DHADLP CCCCCn1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(C)n1 ZINC000423024344 1027393682 /nfs/dbraw/zinc/39/36/82/1027393682.db2.gz LNGNIMOAJYFXTF-RBUKOAKNSA-N 2 2 312.461 3.616 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)c2ccccc21 ZINC000423140144 1027434815 /nfs/dbraw/zinc/43/48/15/1027434815.db2.gz XMLXLGDZHNUSBO-CABCVRRESA-N 2 2 322.330 3.662 20 0 DHADLP Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000423137290 1027434973 /nfs/dbraw/zinc/43/49/73/1027434973.db2.gz QOOMBKGNFBLBPG-OAUYIBNBSA-N 2 2 312.379 3.504 20 0 DHADLP c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CCC3)cc1 ZINC000423182261 1027444358 /nfs/dbraw/zinc/44/43/58/1027444358.db2.gz GPJSDKGQPXQMRM-GJZGRUSLSA-N 2 2 313.470 3.529 20 0 DHADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000423236007 1027456155 /nfs/dbraw/zinc/45/61/55/1027456155.db2.gz HBPHYTOZXGPORC-WBMJQRKESA-N 2 2 324.346 3.936 20 0 DHADLP c1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)CCC3)cc1 ZINC000423240868 1027471844 /nfs/dbraw/zinc/47/18/44/1027471844.db2.gz UDXNLFMUTOAHRT-GJZGRUSLSA-N 2 2 313.470 3.529 20 0 DHADLP c1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2CCC[NH2+]2)CCC3)cc1 ZINC000423240869 1027472926 /nfs/dbraw/zinc/47/29/26/1027472926.db2.gz UDXNLFMUTOAHRT-HUUCEWRRSA-N 2 2 313.470 3.529 20 0 DHADLP COCCC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423251462 1027474928 /nfs/dbraw/zinc/47/49/28/1027474928.db2.gz WGVLLULHGJBHBV-OALUTQOASA-N 2 2 316.420 3.583 20 0 DHADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1OCc1ccccc1 ZINC000423283024 1027482729 /nfs/dbraw/zinc/48/27/29/1027482729.db2.gz VQTZESGFAWIVOF-DNVCBOLYSA-N 2 2 310.441 3.654 20 0 DHADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000423289400 1027483508 /nfs/dbraw/zinc/48/35/08/1027483508.db2.gz XDLJBGCVUSOEAL-NSHDSACASA-N 2 2 308.372 3.829 20 0 DHADLP CC(C)([NH3+])C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423286809 1027483695 /nfs/dbraw/zinc/48/36/95/1027483695.db2.gz IXBBGUAVACORLB-INIZCTEOSA-N 2 2 306.812 3.895 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000295903159 1027484847 /nfs/dbraw/zinc/48/48/47/1027484847.db2.gz ZAZDZYIDJFZURF-CRAIPNDOSA-N 2 2 301.478 3.775 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000295903165 1027485240 /nfs/dbraw/zinc/48/52/40/1027485240.db2.gz ZAZDZYIDJFZURF-MAUKXSAKSA-N 2 2 301.478 3.775 20 0 DHADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc2ccccc2c1OC(F)F ZINC000423275626 1027494554 /nfs/dbraw/zinc/49/45/54/1027494554.db2.gz MACAQEPFUPHWJQ-BZNIZROVSA-N 2 2 320.383 3.829 20 0 DHADLP [NH3+][C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)C1CC1 ZINC000423313829 1027496147 /nfs/dbraw/zinc/49/61/47/1027496147.db2.gz GCLUNJGUBYHRHF-ROUUACIJSA-N 2 2 300.833 3.756 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000423361754 1027520072 /nfs/dbraw/zinc/52/00/72/1027520072.db2.gz MNKRXKKLBQEEBY-VYDXJSESSA-N 2 2 320.477 3.523 20 0 DHADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(SCC(F)F)cc1 ZINC000423366245 1027523433 /nfs/dbraw/zinc/52/34/33/1027523433.db2.gz QBKWRXJGIUHXAM-HUBLWGQQSA-N 2 2 314.445 3.692 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000423367426 1027525242 /nfs/dbraw/zinc/52/52/42/1027525242.db2.gz ALKLXFPXLKWQTJ-OAGGEKHMSA-N 2 2 311.429 3.665 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000423390068 1027532067 /nfs/dbraw/zinc/53/20/67/1027532067.db2.gz VQXDBMQRGSDSRT-VNHYZAJKSA-N 2 2 301.459 3.601 20 0 DHADLP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000423463132 1027555344 /nfs/dbraw/zinc/55/53/44/1027555344.db2.gz LCWQIJSJTOPGMC-RDJZCZTQSA-N 2 2 320.383 3.704 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cccc2OC ZINC000423498838 1027563741 /nfs/dbraw/zinc/56/37/41/1027563741.db2.gz ILENRRAMDZFIQZ-MOPGFXCFSA-N 2 2 310.441 3.535 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1sc(C)nc1C ZINC000423499244 1027565322 /nfs/dbraw/zinc/56/53/22/1027565322.db2.gz JENDLPOFDPGRSZ-BDJLRTHQSA-N 2 2 303.475 3.673 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000423509502 1027568885 /nfs/dbraw/zinc/56/88/85/1027568885.db2.gz RMLHPMVXXABVTD-JKSUJKDBSA-N 2 2 315.486 3.681 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000423495822 1027575115 /nfs/dbraw/zinc/57/51/15/1027575115.db2.gz CTPGSNIAVTWDIX-PMACEKPBSA-N 2 2 310.441 3.535 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCCC34CC4)C2)CC1 ZINC000576530162 1027629253 /nfs/dbraw/zinc/62/92/53/1027629253.db2.gz QGUDDWQJNWJYBD-NRXISQOPSA-N 2 2 316.411 3.714 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363543658 1027669595 /nfs/dbraw/zinc/66/95/95/1027669595.db2.gz FVDZTABFATUSOD-QEJZJMRPSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363543658 1027669600 /nfs/dbraw/zinc/66/96/00/1027669600.db2.gz FVDZTABFATUSOD-QEJZJMRPSA-N 2 2 308.853 3.626 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCCc2c(F)cc(F)cc21)c1c[nH+]ccc1N ZINC000562956716 1027824749 /nfs/dbraw/zinc/82/47/49/1027824749.db2.gz WUEMMNISSGBKHP-QGHHPUGFSA-N 2 2 303.356 3.501 20 0 DHADLP C([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751343 1027875828 /nfs/dbraw/zinc/87/58/28/1027875828.db2.gz GQZALKCJGMGROE-PNYFIKQUSA-N 2 2 320.521 3.578 20 0 DHADLP C([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527751343 1027875848 /nfs/dbraw/zinc/87/58/48/1027875848.db2.gz GQZALKCJGMGROE-PNYFIKQUSA-N 2 2 320.521 3.578 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@H]2CC=CCC2)CC1 ZINC000527787960 1027887119 /nfs/dbraw/zinc/88/71/19/1027887119.db2.gz JQRVRCBSGHAMDO-AWEZNQCLSA-N 2 2 304.400 3.739 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CCS2 ZINC000779027150 1027914437 /nfs/dbraw/zinc/91/44/37/1027914437.db2.gz LXUKMBYLFALNOM-DOTOQJQBSA-N 2 2 304.503 3.914 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CCS2 ZINC000779027150 1027914448 /nfs/dbraw/zinc/91/44/48/1027914448.db2.gz LXUKMBYLFALNOM-DOTOQJQBSA-N 2 2 304.503 3.914 20 0 DHADLP FC(F)C1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527946091 1027978883 /nfs/dbraw/zinc/97/88/83/1027978883.db2.gz GOUQYLGMPJNXFF-XUJLQICISA-N 2 2 300.437 3.807 20 0 DHADLP FC(F)C1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527946091 1027978900 /nfs/dbraw/zinc/97/89/00/1027978900.db2.gz GOUQYLGMPJNXFF-XUJLQICISA-N 2 2 300.437 3.807 20 0 DHADLP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527998571 1028021706 /nfs/dbraw/zinc/02/17/06/1028021706.db2.gz DUSQSAGNZJQVGL-IPCDKGFNSA-N 2 2 320.521 3.863 20 0 DHADLP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527998571 1028021715 /nfs/dbraw/zinc/02/17/15/1028021715.db2.gz DUSQSAGNZJQVGL-IPCDKGFNSA-N 2 2 320.521 3.863 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578049807 1028033050 /nfs/dbraw/zinc/03/30/50/1028033050.db2.gz DQJBCHAHAJEOBQ-KJPDOMRESA-N 2 2 308.416 3.642 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578049807 1028033066 /nfs/dbraw/zinc/03/30/66/1028033066.db2.gz DQJBCHAHAJEOBQ-KJPDOMRESA-N 2 2 308.416 3.642 20 0 DHADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000563429727 1028042114 /nfs/dbraw/zinc/04/21/14/1028042114.db2.gz WDCAHZLZIDSWDM-XHDPSFHLSA-N 2 2 321.877 3.551 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc3c(c1)CCC3)CCC2 ZINC000366211326 1028060694 /nfs/dbraw/zinc/06/06/94/1028060694.db2.gz RVPTYSYFJOMFHB-DNVCBOLYSA-N 2 2 309.457 3.908 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1)CCC2 ZINC000366209494 1028060766 /nfs/dbraw/zinc/06/07/66/1028060766.db2.gz KUAGLAJPQGATSL-CHWSQXEVSA-N 2 2 305.372 3.698 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CCCO2 ZINC000366436352 1028076186 /nfs/dbraw/zinc/07/61/86/1028076186.db2.gz UYDLPZYTUPRZOK-LEOMRAHMSA-N 2 2 318.436 3.646 20 0 DHADLP CCc1ccc(-c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)o2)cc1 ZINC000578472971 1028158956 /nfs/dbraw/zinc/15/89/56/1028158956.db2.gz XCNXJPQUKKMFNR-INIZCTEOSA-N 2 2 321.424 3.879 20 0 DHADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000563700444 1028172460 /nfs/dbraw/zinc/17/24/60/1028172460.db2.gz IMSJOKHDSSLXQY-UONOGXRCSA-N 2 2 319.474 3.804 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(-c2ccncc2)c1 ZINC000368100844 1028298155 /nfs/dbraw/zinc/29/81/55/1028298155.db2.gz INUOYSAMNJYWEC-KBXCAEBGSA-N 2 2 318.424 3.680 20 0 DHADLP COCC1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000449065315 1028301758 /nfs/dbraw/zinc/30/17/58/1028301758.db2.gz YTLQOZOOFHWYJH-HJOIGYKYSA-N 2 2 313.445 3.728 20 0 DHADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)cc1 ZINC000368103344 1028302888 /nfs/dbraw/zinc/30/28/88/1028302888.db2.gz VATWXSDPIGFHAG-XLIONFOSSA-N 2 2 321.399 3.785 20 0 DHADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103921 1028305744 /nfs/dbraw/zinc/30/57/44/1028305744.db2.gz ZHCBZWYGQLUXPB-FZMZJTMJSA-N 2 2 323.362 3.507 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)CC[N@@H+]1C ZINC000449173113 1028415579 /nfs/dbraw/zinc/41/55/79/1028415579.db2.gz NEXJKTBAADYSOC-OLZOCXBDSA-N 2 2 319.449 3.522 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)CC[N@H+]1C ZINC000449173113 1028415583 /nfs/dbraw/zinc/41/55/83/1028415583.db2.gz NEXJKTBAADYSOC-OLZOCXBDSA-N 2 2 319.449 3.522 20 0 DHADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(Cl)c1 ZINC000564431942 1028443688 /nfs/dbraw/zinc/44/36/88/1028443688.db2.gz MCNFHYKHGQZCHS-CRAIPNDOSA-N 2 2 324.896 3.882 20 0 DHADLP COC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(Cl)c1 ZINC000564431942 1028443697 /nfs/dbraw/zinc/44/36/97/1028443697.db2.gz MCNFHYKHGQZCHS-CRAIPNDOSA-N 2 2 324.896 3.882 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000369256766 1028465268 /nfs/dbraw/zinc/46/52/68/1028465268.db2.gz HARIMHNSOYSLAR-INIZCTEOSA-N 2 2 318.852 3.720 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cn1 ZINC000369256766 1028465273 /nfs/dbraw/zinc/46/52/73/1028465273.db2.gz HARIMHNSOYSLAR-INIZCTEOSA-N 2 2 318.852 3.720 20 0 DHADLP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000449281627 1028505813 /nfs/dbraw/zinc/50/58/13/1028505813.db2.gz DOMFPCHYLSYIFF-IPCDKGFNSA-N 2 2 320.521 3.863 20 0 DHADLP C([NH2+]C1CCC(OC2CCCC2)CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000449281627 1028505827 /nfs/dbraw/zinc/50/58/27/1028505827.db2.gz DOMFPCHYLSYIFF-IPCDKGFNSA-N 2 2 320.521 3.863 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccsc3)[C@@H](C)C2)s1 ZINC000369590181 1028506538 /nfs/dbraw/zinc/50/65/38/1028506538.db2.gz DXSVBGXBOSLVFJ-LRDDRELGSA-N 2 2 321.515 3.513 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccsc3)[C@@H](C)C2)s1 ZINC000369590181 1028506549 /nfs/dbraw/zinc/50/65/49/1028506549.db2.gz DXSVBGXBOSLVFJ-LRDDRELGSA-N 2 2 321.515 3.513 20 0 DHADLP CCc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000369609558 1028507827 /nfs/dbraw/zinc/50/78/27/1028507827.db2.gz QKYDAISBAYGBIM-SFTDATJTSA-N 2 2 323.484 3.769 20 0 DHADLP CCc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000369609558 1028507845 /nfs/dbraw/zinc/50/78/45/1028507845.db2.gz QKYDAISBAYGBIM-SFTDATJTSA-N 2 2 323.484 3.769 20 0 DHADLP CCc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000369609558 1028507858 /nfs/dbraw/zinc/50/78/58/1028507858.db2.gz QKYDAISBAYGBIM-SFTDATJTSA-N 2 2 323.484 3.769 20 0 DHADLP CCc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000369609558 1028507868 /nfs/dbraw/zinc/50/78/68/1028507868.db2.gz QKYDAISBAYGBIM-SFTDATJTSA-N 2 2 323.484 3.769 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000449324644 1028534213 /nfs/dbraw/zinc/53/42/13/1028534213.db2.gz GMBFLQJFDNNYSQ-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000449324644 1028534222 /nfs/dbraw/zinc/53/42/22/1028534222.db2.gz GMBFLQJFDNNYSQ-UHFFFAOYSA-N 2 2 309.413 3.567 20 0 DHADLP C[C@H](Cc1ccoc1)[NH2+][C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000449329263 1028537489 /nfs/dbraw/zinc/53/74/89/1028537489.db2.gz IBEMHQJTLGRCST-XPGWFJOJSA-N 2 2 321.424 3.926 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000369881021 1028541421 /nfs/dbraw/zinc/54/14/21/1028541421.db2.gz DLUCKPNFHBCPTN-ZFWWWQNUSA-N 2 2 301.459 3.579 20 0 DHADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370171788 1028575186 /nfs/dbraw/zinc/57/51/86/1028575186.db2.gz HSMFWAWGTJARII-ACRUOGEOSA-N 2 2 323.484 3.685 20 0 DHADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370171788 1028575197 /nfs/dbraw/zinc/57/51/97/1028575197.db2.gz HSMFWAWGTJARII-ACRUOGEOSA-N 2 2 323.484 3.685 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370576883 1028620204 /nfs/dbraw/zinc/62/02/04/1028620204.db2.gz ANFGAEHWKAFFOT-AZUAARDMSA-N 2 2 323.484 3.953 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370576883 1028620212 /nfs/dbraw/zinc/62/02/12/1028620212.db2.gz ANFGAEHWKAFFOT-AZUAARDMSA-N 2 2 323.484 3.953 20 0 DHADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370576885 1028621415 /nfs/dbraw/zinc/62/14/15/1028621415.db2.gz ANFGAEHWKAFFOT-QUCCMNQESA-N 2 2 323.484 3.953 20 0 DHADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370576885 1028621423 /nfs/dbraw/zinc/62/14/23/1028621423.db2.gz ANFGAEHWKAFFOT-QUCCMNQESA-N 2 2 323.484 3.953 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCC[C@H]1C ZINC000449434909 1028637503 /nfs/dbraw/zinc/63/75/03/1028637503.db2.gz TZODSIFNABYYOO-RYRKJORJSA-N 2 2 301.478 3.855 20 0 DHADLP CCc1cccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000566336283 1028704751 /nfs/dbraw/zinc/70/47/51/1028704751.db2.gz YRBSQDNPNCFFOD-KRWDZBQOSA-N 2 2 323.484 3.959 20 0 DHADLP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000119186650 1028716083 /nfs/dbraw/zinc/71/60/83/1028716083.db2.gz NFSSJLYRZHJVAS-DOTOQJQBSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1noc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000119186650 1028716100 /nfs/dbraw/zinc/71/61/00/1028716100.db2.gz NFSSJLYRZHJVAS-DOTOQJQBSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1noc(C)c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000119186650 1028716118 /nfs/dbraw/zinc/71/61/18/1028716118.db2.gz NFSSJLYRZHJVAS-DOTOQJQBSA-N 2 2 319.493 3.632 20 0 DHADLP CCc1noc(C)c1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000119186650 1028716134 /nfs/dbraw/zinc/71/61/34/1028716134.db2.gz NFSSJLYRZHJVAS-DOTOQJQBSA-N 2 2 319.493 3.632 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528745802 1028756053 /nfs/dbraw/zinc/75/60/53/1028756053.db2.gz RXTPLRLNKLFHHX-QGZVFWFLSA-N 2 2 301.409 3.599 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528745802 1028756063 /nfs/dbraw/zinc/75/60/63/1028756063.db2.gz RXTPLRLNKLFHHX-QGZVFWFLSA-N 2 2 301.409 3.599 20 0 DHADLP Cc1[nH]c(CNc2ccc(CC[NH+]3CCCCC3)cc2)[nH+]c1C ZINC000566807917 1028785191 /nfs/dbraw/zinc/78/51/91/1028785191.db2.gz IUZQHLDWSWZPEI-UHFFFAOYSA-N 2 2 312.461 3.667 20 0 DHADLP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cccnc2)CC1 ZINC000372215141 1028828251 /nfs/dbraw/zinc/82/82/51/1028828251.db2.gz CKKXTHWRTZFMCD-HXUWFJFHSA-N 2 2 309.457 3.568 20 0 DHADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2cccnc2)CC1 ZINC000372215141 1028828267 /nfs/dbraw/zinc/82/82/67/1028828267.db2.gz CKKXTHWRTZFMCD-HXUWFJFHSA-N 2 2 309.457 3.568 20 0 DHADLP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2cccnc2)CC1 ZINC000372215141 1028828282 /nfs/dbraw/zinc/82/82/82/1028828282.db2.gz CKKXTHWRTZFMCD-HXUWFJFHSA-N 2 2 309.457 3.568 20 0 DHADLP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000372215141 1028828297 /nfs/dbraw/zinc/82/82/97/1028828297.db2.gz CKKXTHWRTZFMCD-HXUWFJFHSA-N 2 2 309.457 3.568 20 0 DHADLP COC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000567203424 1028855233 /nfs/dbraw/zinc/85/52/33/1028855233.db2.gz OKPFQXFKXBBZKU-ABHNRTSZSA-N 2 2 322.880 3.634 20 0 DHADLP FC(F)(F)c1cccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000628147775 1028906640 /nfs/dbraw/zinc/90/66/40/1028906640.db2.gz XAPYFODWZCQTLR-CQSZACIVSA-N 2 2 323.362 3.851 20 0 DHADLP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000628147775 1028906662 /nfs/dbraw/zinc/90/66/62/1028906662.db2.gz XAPYFODWZCQTLR-CQSZACIVSA-N 2 2 323.362 3.851 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C1CCCCC1 ZINC000373383179 1029027945 /nfs/dbraw/zinc/02/79/45/1029027945.db2.gz JNEXXKIBAMQYJW-SNRMKQJTSA-N 2 2 301.478 3.633 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C1CCCCC1 ZINC000373383179 1029027957 /nfs/dbraw/zinc/02/79/57/1029027957.db2.gz JNEXXKIBAMQYJW-SNRMKQJTSA-N 2 2 301.478 3.633 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411248014 1029080519 /nfs/dbraw/zinc/08/05/19/1029080519.db2.gz SRMQISGITZYZBJ-SQNIBIBYSA-N 2 2 313.420 3.778 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411248014 1029080536 /nfs/dbraw/zinc/08/05/36/1029080536.db2.gz SRMQISGITZYZBJ-SQNIBIBYSA-N 2 2 313.420 3.778 20 0 DHADLP Cc1cncc(C[NH+]2CCC[C@H]([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000373663086 1029107923 /nfs/dbraw/zinc/10/79/23/1029107923.db2.gz OETLCATZASJESP-NRFANRHFSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1cncc(C[NH+]2CCC[C@H]([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000373663086 1029107930 /nfs/dbraw/zinc/10/79/30/1029107930.db2.gz OETLCATZASJESP-NRFANRHFSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1cncc(C[N@H+]2CCC[C@H]([NH+](C)Cc3ccccc3)CC2)c1 ZINC000373663086 1029107943 /nfs/dbraw/zinc/10/79/43/1029107943.db2.gz OETLCATZASJESP-NRFANRHFSA-N 2 2 323.484 3.877 20 0 DHADLP Cc1cncc(C[N@@H+]2CCC[C@H]([NH+](C)Cc3ccccc3)CC2)c1 ZINC000373663086 1029107946 /nfs/dbraw/zinc/10/79/46/1029107946.db2.gz OETLCATZASJESP-NRFANRHFSA-N 2 2 323.484 3.877 20 0 DHADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1OC(F)F ZINC000568800945 1029127355 /nfs/dbraw/zinc/12/73/55/1029127355.db2.gz RFAVKDIMTVESJB-UHFFFAOYSA-N 2 2 320.811 3.715 20 0 DHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1OC(F)F ZINC000568800945 1029127358 /nfs/dbraw/zinc/12/73/58/1029127358.db2.gz RFAVKDIMTVESJB-UHFFFAOYSA-N 2 2 320.811 3.715 20 0 DHADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000779349270 1029185245 /nfs/dbraw/zinc/18/52/45/1029185245.db2.gz YCGNASRXTULOAO-DNVCBOLYSA-N 2 2 302.437 3.836 20 0 DHADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000779349270 1029185254 /nfs/dbraw/zinc/18/52/54/1029185254.db2.gz YCGNASRXTULOAO-DNVCBOLYSA-N 2 2 302.437 3.836 20 0 DHADLP COC1([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000817575267 1029201853 /nfs/dbraw/zinc/20/18/53/1029201853.db2.gz VVXNHRAYVCTUIE-MRXNPFEDSA-N 2 2 313.445 3.700 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC(C)(C)C)CC2)cc1 ZINC000155515167 1029239873 /nfs/dbraw/zinc/23/98/73/1029239873.db2.gz SMUSCWNZTWUCBB-UHFFFAOYSA-N 2 2 303.494 3.747 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@@H](c3ncccc3C)C1)C2 ZINC000374225796 1029248437 /nfs/dbraw/zinc/24/84/37/1029248437.db2.gz SIIKMWRFUNAWEW-SQNIBIBYSA-N 2 2 324.472 3.526 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000817941886 1029282208 /nfs/dbraw/zinc/28/22/08/1029282208.db2.gz SUDVQIVYRPFSOC-SWLSCSKDSA-N 2 2 312.429 3.720 20 0 DHADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817954408 1029293488 /nfs/dbraw/zinc/29/34/88/1029293488.db2.gz COSJGQOEHORQHN-BMIGLBTASA-N 2 2 324.255 3.926 20 0 DHADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000629564715 1029371821 /nfs/dbraw/zinc/37/18/21/1029371821.db2.gz UCPOZVVXIBNHBP-STQMWFEESA-N 2 2 322.321 3.583 20 0 DHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000629564715 1029371831 /nfs/dbraw/zinc/37/18/31/1029371831.db2.gz UCPOZVVXIBNHBP-STQMWFEESA-N 2 2 322.321 3.583 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3COCc4ccccc43)CC2)cc1 ZINC000302070030 1029392181 /nfs/dbraw/zinc/39/21/81/1029392181.db2.gz DMHVKBAYCSGPCW-NRFANRHFSA-N 2 2 322.452 3.512 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529550715 1029407317 /nfs/dbraw/zinc/40/73/17/1029407317.db2.gz PKCFZNSTSXBOLJ-WMLDXEAASA-N 2 2 308.416 3.674 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC(F)(F)C1 ZINC000529550715 1029407329 /nfs/dbraw/zinc/40/73/29/1029407329.db2.gz PKCFZNSTSXBOLJ-WMLDXEAASA-N 2 2 308.416 3.674 20 0 DHADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000390195523 1029557176 /nfs/dbraw/zinc/55/71/76/1029557176.db2.gz UNCCZWYDFHPYHN-PMACEKPBSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000390195523 1029557181 /nfs/dbraw/zinc/55/71/81/1029557181.db2.gz UNCCZWYDFHPYHN-PMACEKPBSA-N 2 2 309.457 3.650 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450632123 1029588087 /nfs/dbraw/zinc/58/80/87/1029588087.db2.gz LGTFDKOVVHBYKC-HUUCEWRRSA-N 2 2 311.420 3.500 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450632123 1029588097 /nfs/dbraw/zinc/58/80/97/1029588097.db2.gz LGTFDKOVVHBYKC-HUUCEWRRSA-N 2 2 311.420 3.500 20 0 DHADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000450673347 1029616929 /nfs/dbraw/zinc/61/69/29/1029616929.db2.gz PBTVMMPVLRLXDE-XUVXKRRUSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000450673347 1029616933 /nfs/dbraw/zinc/61/69/33/1029616933.db2.gz PBTVMMPVLRLXDE-XUVXKRRUSA-N 2 2 316.489 3.617 20 0 DHADLP Clc1cccc2c1C[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001170944486 1029694269 /nfs/dbraw/zinc/69/42/69/1029694269.db2.gz QAERJFVALPKUCZ-MRXNPFEDSA-N 2 2 315.848 3.731 20 0 DHADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC000450874464 1029719985 /nfs/dbraw/zinc/71/99/85/1029719985.db2.gz MEZUFMOUDOLKRL-QGZVFWFLSA-N 2 2 319.518 3.706 20 0 DHADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC000450874464 1029719993 /nfs/dbraw/zinc/71/99/93/1029719993.db2.gz MEZUFMOUDOLKRL-QGZVFWFLSA-N 2 2 319.518 3.706 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000450874464 1029720004 /nfs/dbraw/zinc/72/00/04/1029720004.db2.gz MEZUFMOUDOLKRL-QGZVFWFLSA-N 2 2 319.518 3.706 20 0 DHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000450874464 1029720012 /nfs/dbraw/zinc/72/00/12/1029720012.db2.gz MEZUFMOUDOLKRL-QGZVFWFLSA-N 2 2 319.518 3.706 20 0 DHADLP C[NH+](CCC[N@@H+](C)C[C@@H]1CCCCC1(F)F)Cc1ccco1 ZINC000450993325 1029755677 /nfs/dbraw/zinc/75/56/77/1029755677.db2.gz VBKXOTFWEOWGNY-HNNXBMFYSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@H+](C)C[C@@H]1CCCCC1(F)F)Cc1ccco1 ZINC000450993325 1029755685 /nfs/dbraw/zinc/75/56/85/1029755685.db2.gz VBKXOTFWEOWGNY-HNNXBMFYSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H]1CCCCC1(F)F ZINC000450993325 1029755691 /nfs/dbraw/zinc/75/56/91/1029755691.db2.gz VBKXOTFWEOWGNY-HNNXBMFYSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H]1CCCCC1(F)F ZINC000450993325 1029755697 /nfs/dbraw/zinc/75/56/97/1029755697.db2.gz VBKXOTFWEOWGNY-HNNXBMFYSA-N 2 2 314.420 3.859 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000290165356 1029926434 /nfs/dbraw/zinc/92/64/34/1029926434.db2.gz XWIXZDWGVNLYQH-UHFFFAOYSA-N 2 2 319.399 3.686 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000290165356 1029926440 /nfs/dbraw/zinc/92/64/40/1029926440.db2.gz XWIXZDWGVNLYQH-UHFFFAOYSA-N 2 2 319.399 3.686 20 0 DHADLP CC[C@](C)([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(F)cc1 ZINC000865660502 1029964665 /nfs/dbraw/zinc/96/46/65/1029964665.db2.gz OLIIJVMRWARZTE-KRWDZBQOSA-N 2 2 321.465 3.759 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924569810 1030124831 /nfs/dbraw/zinc/12/48/31/1030124831.db2.gz JWBRKWFMQGVQRE-SNVBAGLBSA-N 2 2 306.397 3.902 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccsc2)Cc2ccccc2)CC1 ZINC000290609633 1030125748 /nfs/dbraw/zinc/12/57/48/1030125748.db2.gz WKSXSMSIQKOVBR-UHFFFAOYSA-N 2 2 300.471 3.845 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccsc2)Cc2ccccc2)CC1 ZINC000290609633 1030125755 /nfs/dbraw/zinc/12/57/55/1030125755.db2.gz WKSXSMSIQKOVBR-UHFFFAOYSA-N 2 2 300.471 3.845 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924578494 1030126921 /nfs/dbraw/zinc/12/69/21/1030126921.db2.gz OZIUXYCZBSHQRZ-OAHLLOKOSA-N 2 2 313.445 3.867 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[N@@H+](C)C(C)C)c2cccnc2)cc1 ZINC000924617276 1030141282 /nfs/dbraw/zinc/14/12/82/1030141282.db2.gz LVQIFKIKCJRSBS-FQEVSTJZSA-N 2 2 311.473 3.799 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[N@H+](C)C(C)C)c2cccnc2)cc1 ZINC000924617276 1030141285 /nfs/dbraw/zinc/14/12/85/1030141285.db2.gz LVQIFKIKCJRSBS-FQEVSTJZSA-N 2 2 311.473 3.799 20 0 DHADLP Cc1cccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)c1 ZINC000924651450 1030152777 /nfs/dbraw/zinc/15/27/77/1030152777.db2.gz XKTVKYPQLWLGSU-UWJYYQICSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1cccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn2)c1 ZINC000924651450 1030152784 /nfs/dbraw/zinc/15/27/84/1030152784.db2.gz XKTVKYPQLWLGSU-UWJYYQICSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000924651624 1030152901 /nfs/dbraw/zinc/15/29/01/1030152901.db2.gz ZKEOPQVGLCXAFG-DYESRHJHSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000924651624 1030152905 /nfs/dbraw/zinc/15/29/05/1030152905.db2.gz ZKEOPQVGLCXAFG-DYESRHJHSA-N 2 2 321.468 3.553 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccn1 ZINC000866225470 1030166342 /nfs/dbraw/zinc/16/63/42/1030166342.db2.gz ZMTWTIMYFFPYGZ-FQEVSTJZSA-N 2 2 320.440 3.813 20 0 DHADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(OC)n1 ZINC000924768508 1030182740 /nfs/dbraw/zinc/18/27/40/1030182740.db2.gz GMRKRVVNMPHZMX-INIZCTEOSA-N 2 2 322.412 3.517 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866273400 1030195419 /nfs/dbraw/zinc/19/54/19/1030195419.db2.gz LNIHXTMDECIOTK-SDDRHHMPSA-N 2 2 307.825 3.615 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866273400 1030195424 /nfs/dbraw/zinc/19/54/24/1030195424.db2.gz LNIHXTMDECIOTK-SDDRHHMPSA-N 2 2 307.825 3.615 20 0 DHADLP CSc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccn1 ZINC000357874677 1030230910 /nfs/dbraw/zinc/23/09/10/1030230910.db2.gz SYSNOZUBSGNIBO-AWEZNQCLSA-N 2 2 324.453 3.840 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCc3cccc4cccc1c43)CC2 ZINC000866343328 1030241897 /nfs/dbraw/zinc/24/18/97/1030241897.db2.gz LZEKACCINPKSPE-WMZOPIPTSA-N 2 2 303.409 3.628 20 0 DHADLP Clc1cccc2c1CC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001171014723 1030264388 /nfs/dbraw/zinc/26/43/88/1030264388.db2.gz VDBCRTFKYXNGPP-MRXNPFEDSA-N 2 2 306.881 3.663 20 0 DHADLP C[C@@H](CC[NH2+][C@@H](C)c1ccns1)[N@H+](C)Cc1ccccc1 ZINC000925202192 1030300780 /nfs/dbraw/zinc/30/07/80/1030300780.db2.gz HAXPIWXJNRWRGH-GJZGRUSLSA-N 2 2 303.475 3.704 20 0 DHADLP C[C@@H](CC[NH2+][C@@H](C)c1ccns1)[N@@H+](C)Cc1ccccc1 ZINC000925202192 1030300796 /nfs/dbraw/zinc/30/07/96/1030300796.db2.gz HAXPIWXJNRWRGH-GJZGRUSLSA-N 2 2 303.475 3.704 20 0 DHADLP COc1ccnc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000925207991 1030306593 /nfs/dbraw/zinc/30/65/93/1030306593.db2.gz RRGNMRJWYWBDBO-HNNXBMFYSA-N 2 2 317.477 3.538 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c2ccccn2)cc1 ZINC000925222014 1030308458 /nfs/dbraw/zinc/30/84/58/1030308458.db2.gz PZSCUNRSNKOHOW-ZVDOUQERSA-N 2 2 323.484 3.942 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000925302674 1030338826 /nfs/dbraw/zinc/33/88/26/1030338826.db2.gz GZVSKVNTXYZREI-OAHLLOKOSA-N 2 2 313.445 3.865 20 0 DHADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000291137080 1030354402 /nfs/dbraw/zinc/35/44/02/1030354402.db2.gz XEFSQDVLBOOIDH-CQSZACIVSA-N 2 2 314.395 3.797 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2[C@H](C)CC[C@H]2C)CC1 ZINC000925594171 1030414838 /nfs/dbraw/zinc/41/48/38/1030414838.db2.gz PCPCJECGORSJTM-OAGGEKHMSA-N 2 2 301.478 3.631 20 0 DHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000866707031 1030428264 /nfs/dbraw/zinc/42/82/64/1030428264.db2.gz SCARZHNPZXOHAP-QGZVFWFLSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000866707031 1030428269 /nfs/dbraw/zinc/42/82/69/1030428269.db2.gz SCARZHNPZXOHAP-QGZVFWFLSA-N 2 2 319.474 3.600 20 0 DHADLP COCCC[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000358342699 1030448792 /nfs/dbraw/zinc/44/87/92/1030448792.db2.gz GHJOTXRVHCATTC-IEBWSBKVSA-N 2 2 315.461 3.646 20 0 DHADLP CCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000246308737 1030473169 /nfs/dbraw/zinc/47/31/69/1030473169.db2.gz DPYHBHGFAVIJHP-IEBWSBKVSA-N 2 2 315.505 3.852 20 0 DHADLP CCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000246308737 1030473183 /nfs/dbraw/zinc/47/31/83/1030473183.db2.gz DPYHBHGFAVIJHP-IEBWSBKVSA-N 2 2 315.505 3.852 20 0 DHADLP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925765068 1030487935 /nfs/dbraw/zinc/48/79/35/1030487935.db2.gz DHAWMPIKZLGCNY-FGTMMUONSA-N 2 2 324.424 3.643 20 0 DHADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1Cl ZINC000925779443 1030495916 /nfs/dbraw/zinc/49/59/16/1030495916.db2.gz NNQQVRNNJNDLGY-VHSXEESVSA-N 2 2 323.214 3.889 20 0 DHADLP CC(C)C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1 ZINC000925796961 1030500937 /nfs/dbraw/zinc/50/09/37/1030500937.db2.gz NIQIQAPRKMCPLI-RBUKOAKNSA-N 2 2 316.489 3.522 20 0 DHADLP c1ccc([C@H]2C[C@H]([NH2+]Cc3nccc4c3CCCC4)CC[NH2+]2)cc1 ZINC000925808553 1030506460 /nfs/dbraw/zinc/50/64/60/1030506460.db2.gz YRVHQDQGTYRQAE-UYAOXDASSA-N 2 2 321.468 3.543 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc2c(cccc2Cl)[nH]1 ZINC001136863570 1030536050 /nfs/dbraw/zinc/53/60/50/1030536050.db2.gz IJWKUTYNOXVSDR-UHFFFAOYSA-N 2 2 302.809 3.540 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc2c(cccc2Cl)[nH]1 ZINC001136863570 1030536058 /nfs/dbraw/zinc/53/60/58/1030536058.db2.gz IJWKUTYNOXVSDR-UHFFFAOYSA-N 2 2 302.809 3.540 20 0 DHADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000558403975 1030560447 /nfs/dbraw/zinc/56/04/47/1030560447.db2.gz UPZQTBCYNZQODA-MJJDPTRDSA-N 2 2 308.416 3.675 20 0 DHADLP Cc1cc(C)cc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000558420667 1030571159 /nfs/dbraw/zinc/57/11/59/1030571159.db2.gz SKYHUSMSYZZBOA-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP Cc1cc(C)cc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000558420667 1030571164 /nfs/dbraw/zinc/57/11/64/1030571164.db2.gz SKYHUSMSYZZBOA-UHFFFAOYSA-N 2 2 312.457 3.993 20 0 DHADLP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000926109757 1030618821 /nfs/dbraw/zinc/61/88/21/1030618821.db2.gz LYRAWKIECAEKPJ-HCXYKTFWSA-N 2 2 308.510 3.577 20 0 DHADLP CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000926109757 1030618831 /nfs/dbraw/zinc/61/88/31/1030618831.db2.gz LYRAWKIECAEKPJ-HCXYKTFWSA-N 2 2 308.510 3.577 20 0 DHADLP CCSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926223688 1030663532 /nfs/dbraw/zinc/66/35/32/1030663532.db2.gz CPTKIOXRINKBFC-GDBMZVCRSA-N 2 2 315.486 3.531 20 0 DHADLP Cc1ccccc1C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000926228779 1030665989 /nfs/dbraw/zinc/66/59/89/1030665989.db2.gz IYQFSCZHXBQRCT-ROUUACIJSA-N 2 2 321.424 3.673 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247211396 1030681034 /nfs/dbraw/zinc/68/10/34/1030681034.db2.gz XAAJEJAPLJCZNX-JYBIWHBTSA-N 2 2 315.505 3.850 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247211396 1030681039 /nfs/dbraw/zinc/68/10/39/1030681039.db2.gz XAAJEJAPLJCZNX-JYBIWHBTSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926330032 1030702111 /nfs/dbraw/zinc/70/21/11/1030702111.db2.gz JQDPSVGNTKMBQK-WXIPNAQESA-N 2 2 318.427 3.816 20 0 DHADLP CCc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c2cccnc2)cc1 ZINC000926468622 1030751431 /nfs/dbraw/zinc/75/14/31/1030751431.db2.gz BYTDAKZPVZFZNS-OXJNMPFZSA-N 2 2 311.473 3.521 20 0 DHADLP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000249215429 1030793951 /nfs/dbraw/zinc/79/39/51/1030793951.db2.gz ZNHDYFJLMCVXNF-FUHWJXTLSA-N 2 2 303.494 3.564 20 0 DHADLP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000249215429 1030793967 /nfs/dbraw/zinc/79/39/67/1030793967.db2.gz ZNHDYFJLMCVXNF-FUHWJXTLSA-N 2 2 303.494 3.564 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)[C@@H]1c1cccnc1 ZINC000926580383 1030808448 /nfs/dbraw/zinc/80/84/48/1030808448.db2.gz QKCRTCMOXKFHOR-VJANTYMQSA-N 2 2 315.505 3.879 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H]2C(C)(C)C)[C@@H]1c1cccnc1 ZINC000926580383 1030808472 /nfs/dbraw/zinc/80/84/72/1030808472.db2.gz QKCRTCMOXKFHOR-VJANTYMQSA-N 2 2 315.505 3.879 20 0 DHADLP CCC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ncccc1Cl ZINC000926752409 1030903689 /nfs/dbraw/zinc/90/36/89/1030903689.db2.gz GKOSPVDKVYPSPD-ZBFHGGJFSA-N 2 2 309.885 3.898 20 0 DHADLP CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ncccc1Cl ZINC000926752409 1030903696 /nfs/dbraw/zinc/90/36/96/1030903696.db2.gz GKOSPVDKVYPSPD-ZBFHGGJFSA-N 2 2 309.885 3.898 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000926752560 1030904953 /nfs/dbraw/zinc/90/49/53/1030904953.db2.gz AUDRBPLPGXORHC-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000926752560 1030904965 /nfs/dbraw/zinc/90/49/65/1030904965.db2.gz AUDRBPLPGXORHC-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]([NH2+]CC[NH+]1CCCCCC1)C2 ZINC001171096716 1030909090 /nfs/dbraw/zinc/90/90/90/1030909090.db2.gz VVXHSOPSRBFSIP-SFHVURJKSA-N 2 2 306.881 3.663 20 0 DHADLP c1coc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000252802634 1030926666 /nfs/dbraw/zinc/92/66/66/1030926666.db2.gz PJFVUULDQSPXHT-UYAOXDASSA-N 2 2 310.441 3.766 20 0 DHADLP c1coc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000252802634 1030926676 /nfs/dbraw/zinc/92/66/76/1030926676.db2.gz PJFVUULDQSPXHT-UYAOXDASSA-N 2 2 310.441 3.766 20 0 DHADLP c1coc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000252802634 1030926690 /nfs/dbraw/zinc/92/66/90/1030926690.db2.gz PJFVUULDQSPXHT-UYAOXDASSA-N 2 2 310.441 3.766 20 0 DHADLP c1coc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000252802634 1030926701 /nfs/dbraw/zinc/92/67/01/1030926701.db2.gz PJFVUULDQSPXHT-UYAOXDASSA-N 2 2 310.441 3.766 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927032316 1031043333 /nfs/dbraw/zinc/04/33/33/1031043333.db2.gz ZPYGFURGFWZTNI-FMKPAKJESA-N 2 2 301.459 3.807 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000359589534 1031048836 /nfs/dbraw/zinc/04/88/36/1031048836.db2.gz JNHNQJGIWBWDLF-GDBMZVCRSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000359589534 1031048852 /nfs/dbraw/zinc/04/88/52/1031048852.db2.gz JNHNQJGIWBWDLF-GDBMZVCRSA-N 2 2 308.853 3.628 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927064382 1031061495 /nfs/dbraw/zinc/06/14/95/1031061495.db2.gz OWEMTNVMSDTMIN-BEFAXECRSA-N 2 2 318.424 3.996 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCCC(F)(F)F)CCC2 ZINC000359639881 1031075822 /nfs/dbraw/zinc/07/58/22/1031075822.db2.gz TYGAPPJWZATQMH-WCQYABFASA-N 2 2 303.372 3.780 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC=CCC1 ZINC000927122352 1031105798 /nfs/dbraw/zinc/10/57/98/1031105798.db2.gz GNMOEMGYRIYJBB-XLIONFOSSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCC=CCC1 ZINC000927122352 1031105807 /nfs/dbraw/zinc/10/58/07/1031105807.db2.gz GNMOEMGYRIYJBB-XLIONFOSSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927160697 1031123671 /nfs/dbraw/zinc/12/36/71/1031123671.db2.gz UMPQRMSVYPPFGE-YJBOKZPZSA-N 2 2 311.429 3.625 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1F)CCC2 ZINC000359952566 1031217661 /nfs/dbraw/zinc/21/76/61/1031217661.db2.gz NSFGTHMRVKJDKK-STQMWFEESA-N 2 2 305.372 3.698 20 0 DHADLP Clc1ccc(Cl)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1Cl ZINC000666855417 1031419855 /nfs/dbraw/zinc/41/98/55/1031419855.db2.gz QPKKYRJHAZVDLG-SECBINFHSA-N 2 2 307.652 3.879 20 0 DHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1C1CC1)C2 ZINC000537000559 1031486982 /nfs/dbraw/zinc/48/69/82/1031486982.db2.gz IZSJMMAJWKEZNB-HRCADAONSA-N 2 2 301.478 3.664 20 0 DHADLP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc4[nH+]cn(C)c4c3)c2c1 ZINC001171169858 1031508869 /nfs/dbraw/zinc/50/88/69/1031508869.db2.gz RELLRSRYMIKERY-CQSZACIVSA-N 2 2 318.424 3.715 20 0 DHADLP COCC1(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000293561089 1031518692 /nfs/dbraw/zinc/51/86/92/1031518692.db2.gz AOTKONFBQXUVMC-INIZCTEOSA-N 2 2 313.445 3.730 20 0 DHADLP Cc1nc(C)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000361074358 1031711466 /nfs/dbraw/zinc/71/14/66/1031711466.db2.gz PBDGHAWGIJNAEB-UHFFFAOYSA-N 2 2 318.490 3.649 20 0 DHADLP Fc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000361075493 1031714326 /nfs/dbraw/zinc/71/43/26/1031714326.db2.gz ZAUGCQRIHVIGFF-UHFFFAOYSA-N 2 2 301.409 3.715 20 0 DHADLP C[C@]1(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@]1(F)Cl ZINC000846034563 1031826503 /nfs/dbraw/zinc/82/65/03/1031826503.db2.gz RUALDWRYPMUAJG-UONOGXRCSA-N 2 2 313.829 3.728 20 0 DHADLP CN(c1cc[nH+]c2c(Cl)cccc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000561382316 1031865820 /nfs/dbraw/zinc/86/58/20/1031865820.db2.gz SLBUNZJCPKKGDX-PBWFPOADSA-N 2 2 315.848 3.950 20 0 DHADLP CN(c1cc[nH+]c2c(Cl)cccc12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000561382316 1031865835 /nfs/dbraw/zinc/86/58/35/1031865835.db2.gz SLBUNZJCPKKGDX-PBWFPOADSA-N 2 2 315.848 3.950 20 0 DHADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000846148248 1031882378 /nfs/dbraw/zinc/88/23/78/1031882378.db2.gz PLHYEALDASPIFG-QFBILLFUSA-N 2 2 301.478 3.777 20 0 DHADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000846148248 1031882396 /nfs/dbraw/zinc/88/23/96/1031882396.db2.gz PLHYEALDASPIFG-QFBILLFUSA-N 2 2 301.478 3.777 20 0 DHADLP FCc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000930615528 1031891159 /nfs/dbraw/zinc/89/11/59/1031891159.db2.gz QUNUJRIKTQTVMC-UHFFFAOYSA-N 2 2 312.432 3.910 20 0 DHADLP CCOc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(C)c1 ZINC000897983018 1031910549 /nfs/dbraw/zinc/91/05/49/1031910549.db2.gz VTDFGZRHSIFWGV-UHFFFAOYSA-N 2 2 302.462 3.500 20 0 DHADLP CC(C)Oc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897986049 1031913790 /nfs/dbraw/zinc/91/37/90/1031913790.db2.gz VHDGRWRXIVSAAF-UHFFFAOYSA-N 2 2 302.462 3.580 20 0 DHADLP Cc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000361497385 1031955285 /nfs/dbraw/zinc/95/52/85/1031955285.db2.gz PCJGSTSDDKIBSG-GFCCVEGCSA-N 2 2 312.442 3.796 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)COC2 ZINC000361496902 1031955638 /nfs/dbraw/zinc/95/56/38/1031955638.db2.gz NMZKNMYXYOZBDY-HNNXBMFYSA-N 2 2 319.408 3.753 20 0 DHADLP Cc1[nH]c(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000931069673 1032024388 /nfs/dbraw/zinc/02/43/88/1032024388.db2.gz HNKQRVAHFFPTMJ-DLBZAZTESA-N 2 2 321.852 3.528 20 0 DHADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000477927537 1033370717 /nfs/dbraw/zinc/37/07/17/1033370717.db2.gz OMQCZJNYEKUDKZ-TYNCELHUSA-N 2 2 316.367 3.576 20 0 DHADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000477927537 1033370731 /nfs/dbraw/zinc/37/07/31/1033370731.db2.gz OMQCZJNYEKUDKZ-TYNCELHUSA-N 2 2 316.367 3.576 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@@H]21 ZINC001172824950 1033385488 /nfs/dbraw/zinc/38/54/88/1033385488.db2.gz LUVOTKQQBBAWBP-KOQKOIQBSA-N 2 2 312.501 3.814 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(Cc4ccccc4)CC3)C[C@@H]21 ZINC001172824950 1033385500 /nfs/dbraw/zinc/38/55/00/1033385500.db2.gz LUVOTKQQBBAWBP-KOQKOIQBSA-N 2 2 312.501 3.814 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]21 ZINC001172824950 1033385515 /nfs/dbraw/zinc/38/55/15/1033385515.db2.gz LUVOTKQQBBAWBP-KOQKOIQBSA-N 2 2 312.501 3.814 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]21 ZINC001172824950 1033385532 /nfs/dbraw/zinc/38/55/32/1033385532.db2.gz LUVOTKQQBBAWBP-KOQKOIQBSA-N 2 2 312.501 3.814 20 0 DHADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000151149828 1033420772 /nfs/dbraw/zinc/42/07/72/1033420772.db2.gz NJEVKZYBRAWWTO-HNNXBMFYSA-N 2 2 309.360 3.616 20 0 DHADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000151149904 1033420881 /nfs/dbraw/zinc/42/08/81/1033420881.db2.gz NJEVKZYBRAWWTO-OAHLLOKOSA-N 2 2 309.360 3.616 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1c(F)cccc1Cl ZINC001172860959 1033432400 /nfs/dbraw/zinc/43/24/00/1033432400.db2.gz IPJVMFUGUXOXBZ-ZDUSSCGKSA-N 2 2 309.816 3.629 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)Cc1c(F)cccc1Cl ZINC001172860959 1033432408 /nfs/dbraw/zinc/43/24/08/1033432408.db2.gz IPJVMFUGUXOXBZ-ZDUSSCGKSA-N 2 2 309.816 3.629 20 0 DHADLP CO[C@@H]1CCC[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172929655 1033475189 /nfs/dbraw/zinc/47/51/89/1033475189.db2.gz GFTOJTUDBASQOY-VQTJNVASSA-N 2 2 316.489 3.540 20 0 DHADLP CO[C@@H]1CCC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172929655 1033475197 /nfs/dbraw/zinc/47/51/97/1033475197.db2.gz GFTOJTUDBASQOY-VQTJNVASSA-N 2 2 316.489 3.540 20 0 DHADLP Cc1cccc2[nH+]cc(Nc3ccc(Cn4cc[nH+]c4)cc3)n21 ZINC001212695317 1033490669 /nfs/dbraw/zinc/49/06/69/1033490669.db2.gz YVKFUOZNARPIIN-UHFFFAOYSA-N 2 2 303.369 3.631 20 0 DHADLP Clc1ccnc2c1CCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924710685 1033573501 /nfs/dbraw/zinc/57/35/01/1033573501.db2.gz APQOMECMRJNHNM-QGZVFWFLSA-N 2 2 319.880 3.576 20 0 DHADLP CCCC[N@H+](C)CC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173195194 1033587692 /nfs/dbraw/zinc/58/76/92/1033587692.db2.gz KOLRAZCYVBTKHE-UHFFFAOYSA-N 2 2 304.478 3.698 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173195194 1033587702 /nfs/dbraw/zinc/58/77/02/1033587702.db2.gz KOLRAZCYVBTKHE-UHFFFAOYSA-N 2 2 304.478 3.698 20 0 DHADLP C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000553214079 1033626348 /nfs/dbraw/zinc/62/63/48/1033626348.db2.gz ALOBNERYSNHCJL-UHFFFAOYSA-N 2 2 322.880 3.845 20 0 DHADLP C[C@@H]([NH2+]Cc1scnc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000878411719 1033695372 /nfs/dbraw/zinc/69/53/72/1033695372.db2.gz NNRCQAFOHATDMZ-NEPJUHHUSA-N 2 2 313.898 3.539 20 0 DHADLP C[C@@H]([NH2+]Cc1scnc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411719 1033695377 /nfs/dbraw/zinc/69/53/77/1033695377.db2.gz NNRCQAFOHATDMZ-NEPJUHHUSA-N 2 2 313.898 3.539 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000479430453 1033758558 /nfs/dbraw/zinc/75/85/58/1033758558.db2.gz XOTFPTFCTPCHLG-HIFRSBDPSA-N 2 2 308.416 3.502 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCCCc2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000479430453 1033758566 /nfs/dbraw/zinc/75/85/66/1033758566.db2.gz XOTFPTFCTPCHLG-HIFRSBDPSA-N 2 2 308.416 3.502 20 0 DHADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001173545622 1033764862 /nfs/dbraw/zinc/76/48/62/1033764862.db2.gz ZRAUMMRGNVOGID-GXTWGEPZSA-N 2 2 315.288 3.998 20 0 DHADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001173545622 1033764872 /nfs/dbraw/zinc/76/48/72/1033764872.db2.gz ZRAUMMRGNVOGID-GXTWGEPZSA-N 2 2 315.288 3.998 20 0 DHADLP Fc1cccc([C@@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667503801 1033797106 /nfs/dbraw/zinc/79/71/06/1033797106.db2.gz XWQDKFZTJXKXJX-IBGZPJMESA-N 2 2 322.387 3.744 20 0 DHADLP Fc1cccc([C@@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667503801 1033797120 /nfs/dbraw/zinc/79/71/20/1033797120.db2.gz XWQDKFZTJXKXJX-IBGZPJMESA-N 2 2 322.387 3.744 20 0 DHADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173684048 1033819406 /nfs/dbraw/zinc/81/94/06/1033819406.db2.gz AIQTWZFEGXQEKU-SCCNAQOGSA-N 2 2 312.501 3.886 20 0 DHADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173684048 1033819424 /nfs/dbraw/zinc/81/94/24/1033819424.db2.gz AIQTWZFEGXQEKU-SCCNAQOGSA-N 2 2 312.501 3.886 20 0 DHADLP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ncccc1Cl ZINC000924730316 1033949202 /nfs/dbraw/zinc/94/92/02/1033949202.db2.gz FAPQDBFNTBQONA-HNNXBMFYSA-N 2 2 306.841 3.843 20 0 DHADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000175010592 1033973111 /nfs/dbraw/zinc/97/31/11/1033973111.db2.gz MTXCSHMBDZDLBF-RYUDHWBXSA-N 2 2 318.433 3.698 20 0 DHADLP C[NH+](C)Cc1ccccc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001173929757 1033993415 /nfs/dbraw/zinc/99/34/15/1033993415.db2.gz HELOUHQFCFGUOU-UHFFFAOYSA-N 2 2 300.793 3.793 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000863545566 1034126264 /nfs/dbraw/zinc/12/62/64/1034126264.db2.gz VNVXTPGLQYNESN-MDZLAQPJSA-N 2 2 300.418 3.792 20 0 DHADLP CC1([NH+]2CCCCC2)CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000879950733 1034164896 /nfs/dbraw/zinc/16/48/96/1034164896.db2.gz AXEKIUCDXMBZTP-AWEZNQCLSA-N 2 2 319.320 3.911 20 0 DHADLP COCCC[C@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000178216796 1034219994 /nfs/dbraw/zinc/21/99/94/1034219994.db2.gz LMGCDHLDJSPHKT-PKOBYXMFSA-N 2 2 304.478 3.537 20 0 DHADLP COCCC[C@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000178216806 1034221236 /nfs/dbraw/zinc/22/12/36/1034221236.db2.gz LMGCDHLDJSPHKT-HKUYNNGSSA-N 2 2 304.478 3.537 20 0 DHADLP Cc1ccc2ncc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)cc2c1 ZINC000880474544 1034343616 /nfs/dbraw/zinc/34/36/16/1034343616.db2.gz JDCKOTVGCAQKRV-UHFFFAOYSA-N 2 2 309.457 3.603 20 0 DHADLP CO[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1 ZINC000880569590 1034362121 /nfs/dbraw/zinc/36/21/21/1034362121.db2.gz LXMJYNAUJISLRN-VQTJNVASSA-N 2 2 321.424 3.602 20 0 DHADLP C[C@]1(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1(Cl)Cl ZINC000880569651 1034362488 /nfs/dbraw/zinc/36/24/88/1034362488.db2.gz NIKUGQVNMCYJCU-HUUCEWRRSA-N 2 2 324.255 3.798 20 0 DHADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)ccc1C ZINC000880569058 1034364647 /nfs/dbraw/zinc/36/46/47/1034364647.db2.gz HDFQWONKGZIJMS-LJQANCHMSA-N 2 2 321.424 3.731 20 0 DHADLP CC[C@H](F)C[NH+]1CCCC2(CCC[N@@H+](C[C@@H](F)CC)C2)C1 ZINC000554947009 1034427714 /nfs/dbraw/zinc/42/77/14/1034427714.db2.gz QCDFLTLVXUNYNP-PYNWJHIZSA-N 2 2 302.453 3.661 20 0 DHADLP CC[C@H](F)C[NH+]1CCCC2(CCC[N@H+](C[C@@H](F)CC)C2)C1 ZINC000554947009 1034427719 /nfs/dbraw/zinc/42/77/19/1034427719.db2.gz QCDFLTLVXUNYNP-PYNWJHIZSA-N 2 2 302.453 3.661 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924749836 1034450328 /nfs/dbraw/zinc/45/03/28/1034450328.db2.gz BIEABJMXLXWAEQ-JKSUJKDBSA-N 2 2 313.445 3.724 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924749836 1034450332 /nfs/dbraw/zinc/45/03/32/1034450332.db2.gz BIEABJMXLXWAEQ-JKSUJKDBSA-N 2 2 313.445 3.724 20 0 DHADLP C[NH+](C)CCc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174522781 1034481560 /nfs/dbraw/zinc/48/15/60/1034481560.db2.gz BSHKXVSXSJYFQC-UHFFFAOYSA-N 2 2 324.472 3.920 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000481117084 1034589397 /nfs/dbraw/zinc/58/93/97/1034589397.db2.gz NUAQQEDQKNCDMS-GOEBONIOSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000481117084 1034589406 /nfs/dbraw/zinc/58/94/06/1034589406.db2.gz NUAQQEDQKNCDMS-GOEBONIOSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000481117084 1034589411 /nfs/dbraw/zinc/58/94/11/1034589411.db2.gz NUAQQEDQKNCDMS-GOEBONIOSA-N 2 2 313.445 3.553 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000481117084 1034589420 /nfs/dbraw/zinc/58/94/20/1034589420.db2.gz NUAQQEDQKNCDMS-GOEBONIOSA-N 2 2 313.445 3.553 20 0 DHADLP CN(C)c1ccc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c[nH+]1 ZINC001175343992 1034920764 /nfs/dbraw/zinc/92/07/64/1034920764.db2.gz MGPGAKJQEFDZEY-UHFFFAOYSA-N 2 2 324.472 3.920 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000481991446 1035043468 /nfs/dbraw/zinc/04/34/68/1035043468.db2.gz HUOZPLOLKVLTKA-DVOMOZLQSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000481991446 1035043476 /nfs/dbraw/zinc/04/34/76/1035043476.db2.gz HUOZPLOLKVLTKA-DVOMOZLQSA-N 2 2 314.395 3.709 20 0 DHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000482242854 1035072706 /nfs/dbraw/zinc/07/27/06/1035072706.db2.gz KPTPYCCOPVDBTC-SJLPKXTDSA-N 2 2 312.457 3.601 20 0 DHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000482242854 1035072713 /nfs/dbraw/zinc/07/27/13/1035072713.db2.gz KPTPYCCOPVDBTC-SJLPKXTDSA-N 2 2 312.457 3.601 20 0 DHADLP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000482244600 1035073008 /nfs/dbraw/zinc/07/30/08/1035073008.db2.gz IMNGTZJTZGWMDV-KUHUBIRLSA-N 2 2 313.420 3.936 20 0 DHADLP CCc1ccc(C)[nH+]c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175857616 1035143845 /nfs/dbraw/zinc/14/38/45/1035143845.db2.gz FKBLSRPXJBCUQS-UHFFFAOYSA-N 2 2 311.429 3.528 20 0 DHADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000482620316 1035148080 /nfs/dbraw/zinc/14/80/80/1035148080.db2.gz ORIZIJQLCSDSMI-ACWOFJMJSA-N 2 2 302.437 3.666 20 0 DHADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000482620316 1035148083 /nfs/dbraw/zinc/14/80/83/1035148083.db2.gz ORIZIJQLCSDSMI-ACWOFJMJSA-N 2 2 302.437 3.666 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C(C)(C)c1ccccc1 ZINC000482633800 1035151752 /nfs/dbraw/zinc/15/17/52/1035151752.db2.gz RJGQKESTRZBGKE-WMZOPIPTSA-N 2 2 300.490 3.959 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C(C)(C)c1ccccc1 ZINC000482633800 1035151756 /nfs/dbraw/zinc/15/17/56/1035151756.db2.gz RJGQKESTRZBGKE-WMZOPIPTSA-N 2 2 300.490 3.959 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000171064536 1035176097 /nfs/dbraw/zinc/17/60/97/1035176097.db2.gz OHZKPWNKTHHBGM-LBPRGKRZSA-N 2 2 300.368 3.792 20 0 DHADLP CCc1cccc2cc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)oc21 ZINC000668168903 1035201923 /nfs/dbraw/zinc/20/19/23/1035201923.db2.gz CWAOXCKJHNRCDE-MRXNPFEDSA-N 2 2 309.413 3.718 20 0 DHADLP CCc1cccc2cc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)oc21 ZINC000668168903 1035201929 /nfs/dbraw/zinc/20/19/29/1035201929.db2.gz CWAOXCKJHNRCDE-MRXNPFEDSA-N 2 2 309.413 3.718 20 0 DHADLP CC(C)COc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483470564 1035271187 /nfs/dbraw/zinc/27/11/87/1035271187.db2.gz HDNJSYGFYYOOCD-IEBWSBKVSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)COc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483470564 1035271188 /nfs/dbraw/zinc/27/11/88/1035271188.db2.gz HDNJSYGFYYOOCD-IEBWSBKVSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)COc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483470564 1035271189 /nfs/dbraw/zinc/27/11/89/1035271189.db2.gz HDNJSYGFYYOOCD-IEBWSBKVSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)COc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483470564 1035271190 /nfs/dbraw/zinc/27/11/90/1035271190.db2.gz HDNJSYGFYYOOCD-IEBWSBKVSA-N 2 2 316.489 3.638 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483513308 1035275610 /nfs/dbraw/zinc/27/56/10/1035275610.db2.gz ZIMONEJAXHVGIS-IFIJOSMWSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000483513308 1035275612 /nfs/dbraw/zinc/27/56/12/1035275612.db2.gz ZIMONEJAXHVGIS-IFIJOSMWSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000483513308 1035275615 /nfs/dbraw/zinc/27/56/15/1035275615.db2.gz ZIMONEJAXHVGIS-IFIJOSMWSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483513308 1035275616 /nfs/dbraw/zinc/27/56/16/1035275616.db2.gz ZIMONEJAXHVGIS-IFIJOSMWSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483513312 1035275776 /nfs/dbraw/zinc/27/57/76/1035275776.db2.gz ZIMONEJAXHVGIS-SUYBPPKGSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483513312 1035275768 /nfs/dbraw/zinc/27/57/68/1035275768.db2.gz ZIMONEJAXHVGIS-SUYBPPKGSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000483513312 1035275770 /nfs/dbraw/zinc/27/57/70/1035275770.db2.gz ZIMONEJAXHVGIS-SUYBPPKGSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483513312 1035275780 /nfs/dbraw/zinc/27/57/80/1035275780.db2.gz ZIMONEJAXHVGIS-SUYBPPKGSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000483728096 1035296054 /nfs/dbraw/zinc/29/60/54/1035296054.db2.gz NMJPNCUYMQNHFH-NTZNESFSSA-N 2 2 316.367 3.560 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000483728096 1035296058 /nfs/dbraw/zinc/29/60/58/1035296058.db2.gz NMJPNCUYMQNHFH-NTZNESFSSA-N 2 2 316.367 3.560 20 0 DHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000484466309 1035336621 /nfs/dbraw/zinc/33/66/21/1035336621.db2.gz JYWJDGTVJAZAPL-MAUKXSAKSA-N 2 2 322.518 3.563 20 0 DHADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc2ccccc21 ZINC000484476649 1035344801 /nfs/dbraw/zinc/34/48/01/1035344801.db2.gz QDGJCOOTNVXNEE-DNVCBOLYSA-N 2 2 314.498 3.928 20 0 DHADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc2ccccc21 ZINC000484476650 1035344852 /nfs/dbraw/zinc/34/48/52/1035344852.db2.gz QDGJCOOTNVXNEE-HNAYVOBHSA-N 2 2 314.498 3.928 20 0 DHADLP COc1ccccc1/C=C\C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001177425234 1035369582 /nfs/dbraw/zinc/36/95/82/1035369582.db2.gz QVUYRCGHUJSSQW-YPLUBFQTSA-N 2 2 313.445 3.609 20 0 DHADLP Clc1ncccc1[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168369156 1035385555 /nfs/dbraw/zinc/38/55/55/1035385555.db2.gz YBCDGVMPIIFRHY-QGZVFWFLSA-N 2 2 319.880 3.650 20 0 DHADLP COc1ccc2cc(C[NH2+]CCCNc3cccc[nH+]3)ccc2c1 ZINC001177932596 1035401031 /nfs/dbraw/zinc/40/10/31/1035401031.db2.gz KCRIGHPTXHHHNU-UHFFFAOYSA-N 2 2 321.424 3.835 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(C(C)C)s2)C1 ZINC001178249741 1035416250 /nfs/dbraw/zinc/41/62/50/1035416250.db2.gz SXWUIBRVIUCPFW-HNNXBMFYSA-N 2 2 309.523 3.724 20 0 DHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(C(C)C)s2)C1 ZINC001178249741 1035416252 /nfs/dbraw/zinc/41/62/52/1035416252.db2.gz SXWUIBRVIUCPFW-HNNXBMFYSA-N 2 2 309.523 3.724 20 0 DHADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001179173056 1035468932 /nfs/dbraw/zinc/46/89/32/1035468932.db2.gz HKWCAGNVJXEBLW-AEFFLSMTSA-N 2 2 314.473 3.549 20 0 DHADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001179173056 1035468935 /nfs/dbraw/zinc/46/89/35/1035468935.db2.gz HKWCAGNVJXEBLW-AEFFLSMTSA-N 2 2 314.473 3.549 20 0 DHADLP C([NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001179314820 1035473766 /nfs/dbraw/zinc/47/37/66/1035473766.db2.gz GANCOIUNMFOTTP-HBFSDRIKSA-N 2 2 320.521 3.578 20 0 DHADLP C([NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001179314820 1035473769 /nfs/dbraw/zinc/47/37/69/1035473769.db2.gz GANCOIUNMFOTTP-HBFSDRIKSA-N 2 2 320.521 3.578 20 0 DHADLP CC1(C)Cc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)ccc2O1 ZINC001179316580 1035474183 /nfs/dbraw/zinc/47/41/83/1035474183.db2.gz ZZUDJIGFRYICII-GOSISDBHSA-N 2 2 314.473 3.507 20 0 DHADLP CC1(C)Cc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)ccc2O1 ZINC001179316580 1035474185 /nfs/dbraw/zinc/47/41/85/1035474185.db2.gz ZZUDJIGFRYICII-GOSISDBHSA-N 2 2 314.473 3.507 20 0 DHADLP CC(C)Oc1ccccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000078847527 1035583822 /nfs/dbraw/zinc/58/38/22/1035583822.db2.gz DFKBLNMTDQFDPC-UHFFFAOYSA-N 2 2 313.445 3.851 20 0 DHADLP Fc1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000485712292 1035895801 /nfs/dbraw/zinc/89/58/01/1035895801.db2.gz MRWBWAIBGRJPAQ-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000485712292 1035895821 /nfs/dbraw/zinc/89/58/21/1035895821.db2.gz MRWBWAIBGRJPAQ-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000485712292 1035895840 /nfs/dbraw/zinc/89/58/40/1035895840.db2.gz MRWBWAIBGRJPAQ-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000485712292 1035895858 /nfs/dbraw/zinc/89/58/58/1035895858.db2.gz MRWBWAIBGRJPAQ-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435676 1035947663 /nfs/dbraw/zinc/94/76/63/1035947663.db2.gz JHAFTPHLUXMIMQ-NWDGAFQWSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435676 1035947672 /nfs/dbraw/zinc/94/76/72/1035947672.db2.gz JHAFTPHLUXMIMQ-NWDGAFQWSA-N 2 2 301.261 3.986 20 0 DHADLP [NH3+][C@H]1CCC[N@H+](Cc2cc3cccc(Cl)c3nc2Cl)CC1 ZINC001205110320 1035971363 /nfs/dbraw/zinc/97/13/63/1035971363.db2.gz SBJDAXWITSSVQO-ZDUSSCGKSA-N 2 2 324.255 3.855 20 0 DHADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc3cccc(Cl)c3nc2Cl)CC1 ZINC001205110320 1035971378 /nfs/dbraw/zinc/97/13/78/1035971378.db2.gz SBJDAXWITSSVQO-ZDUSSCGKSA-N 2 2 324.255 3.855 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906588112 1036012420 /nfs/dbraw/zinc/01/24/20/1036012420.db2.gz FGHHDYIYTGKXIX-ROUUACIJSA-N 2 2 302.437 3.632 20 0 DHADLP Clc1csc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000194435990 1036012868 /nfs/dbraw/zinc/01/28/68/1036012868.db2.gz PHXLSKZYVBCLLZ-WBMJQRKESA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000194435990 1036012887 /nfs/dbraw/zinc/01/28/87/1036012887.db2.gz PHXLSKZYVBCLLZ-WBMJQRKESA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000194435990 1036012901 /nfs/dbraw/zinc/01/29/01/1036012901.db2.gz PHXLSKZYVBCLLZ-WBMJQRKESA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000194435990 1036012911 /nfs/dbraw/zinc/01/29/11/1036012911.db2.gz PHXLSKZYVBCLLZ-WBMJQRKESA-N 2 2 310.894 3.850 20 0 DHADLP CC[C@@H](C)[C@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)OC ZINC001182035129 1036081173 /nfs/dbraw/zinc/08/11/73/1036081173.db2.gz WTPXJDJPALBKMG-DYVFJYSZSA-N 2 2 321.852 3.676 20 0 DHADLP CC[C@H]1CCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000540788014 1036155397 /nfs/dbraw/zinc/15/53/97/1036155397.db2.gz RWXODIOTWQNOPH-YJBOKZPZSA-N 2 2 316.493 3.603 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000494985913 1036165984 /nfs/dbraw/zinc/16/59/84/1036165984.db2.gz OBXMOMORJFLHNI-PBHICJAKSA-N 2 2 322.880 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000494985913 1036165993 /nfs/dbraw/zinc/16/59/93/1036165993.db2.gz OBXMOMORJFLHNI-PBHICJAKSA-N 2 2 322.880 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000494985913 1036165997 /nfs/dbraw/zinc/16/59/97/1036165997.db2.gz OBXMOMORJFLHNI-PBHICJAKSA-N 2 2 322.880 3.655 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000494985913 1036166010 /nfs/dbraw/zinc/16/60/10/1036166010.db2.gz OBXMOMORJFLHNI-PBHICJAKSA-N 2 2 322.880 3.655 20 0 DHADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001168474976 1036172842 /nfs/dbraw/zinc/17/28/42/1036172842.db2.gz OUEAVJNZFXFUJW-MRXNPFEDSA-N 2 2 304.453 3.707 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C/C=C\c2ccncc2)C1 ZINC000494995239 1036180903 /nfs/dbraw/zinc/18/09/03/1036180903.db2.gz LTCYUJDOTNRWGE-XMUPKSCWSA-N 2 2 313.489 3.681 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C/C=C\c2ccncc2)C1 ZINC000494995239 1036180911 /nfs/dbraw/zinc/18/09/11/1036180911.db2.gz LTCYUJDOTNRWGE-XMUPKSCWSA-N 2 2 313.489 3.681 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C/C=C\c2ccncc2)C1 ZINC000494995239 1036180918 /nfs/dbraw/zinc/18/09/18/1036180918.db2.gz LTCYUJDOTNRWGE-XMUPKSCWSA-N 2 2 313.489 3.681 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C/C=C\c2ccncc2)C1 ZINC000494995239 1036180922 /nfs/dbraw/zinc/18/09/22/1036180922.db2.gz LTCYUJDOTNRWGE-XMUPKSCWSA-N 2 2 313.489 3.681 20 0 DHADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc(-c4ccccc4)cs3)[C@H]2C1 ZINC000495092595 1036237926 /nfs/dbraw/zinc/23/79/26/1036237926.db2.gz XGFQDDWQEHXDRP-LPHOPBHVSA-N 2 2 312.482 3.941 20 0 DHADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc(-c4ccccc4)cs3)[C@H]2C1 ZINC000495092595 1036237938 /nfs/dbraw/zinc/23/79/38/1036237938.db2.gz XGFQDDWQEHXDRP-LPHOPBHVSA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)cs3)[C@H]2C1 ZINC000495092595 1036237955 /nfs/dbraw/zinc/23/79/55/1036237955.db2.gz XGFQDDWQEHXDRP-LPHOPBHVSA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)cs3)[C@H]2C1 ZINC000495092595 1036237969 /nfs/dbraw/zinc/23/79/69/1036237969.db2.gz XGFQDDWQEHXDRP-LPHOPBHVSA-N 2 2 312.482 3.941 20 0 DHADLP Cc1ccc(-c2ccc(C[NH+]3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)o2)cc1 ZINC000495110370 1036259109 /nfs/dbraw/zinc/25/91/09/1036259109.db2.gz SNPLSDFFVPOFAO-LPHOPBHVSA-N 2 2 310.441 3.781 20 0 DHADLP Cc1ccc(-c2ccc(C[NH+]3CC[C@@H]4CC[N@H+](C)C[C@@H]43)o2)cc1 ZINC000495110370 1036259125 /nfs/dbraw/zinc/25/91/25/1036259125.db2.gz SNPLSDFFVPOFAO-LPHOPBHVSA-N 2 2 310.441 3.781 20 0 DHADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)o2)cc1 ZINC000495110370 1036259139 /nfs/dbraw/zinc/25/91/39/1036259139.db2.gz SNPLSDFFVPOFAO-LPHOPBHVSA-N 2 2 310.441 3.781 20 0 DHADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4CC[NH+](C)C[C@@H]43)o2)cc1 ZINC000495110370 1036259151 /nfs/dbraw/zinc/25/91/51/1036259151.db2.gz SNPLSDFFVPOFAO-LPHOPBHVSA-N 2 2 310.441 3.781 20 0 DHADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(OC4CCCC4)c3)[C@H]2C1 ZINC000495149698 1036293357 /nfs/dbraw/zinc/29/33/57/1036293357.db2.gz SHRZPPZLKNBDBL-PXNSSMCTSA-N 2 2 314.473 3.534 20 0 DHADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(OC4CCCC4)c3)[C@H]2C1 ZINC000495149698 1036293370 /nfs/dbraw/zinc/29/33/70/1036293370.db2.gz SHRZPPZLKNBDBL-PXNSSMCTSA-N 2 2 314.473 3.534 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(OC4CCCC4)c3)[C@H]2C1 ZINC000495149698 1036293388 /nfs/dbraw/zinc/29/33/88/1036293388.db2.gz SHRZPPZLKNBDBL-PXNSSMCTSA-N 2 2 314.473 3.534 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(OC4CCCC4)c3)[C@H]2C1 ZINC000495149698 1036293399 /nfs/dbraw/zinc/29/33/99/1036293399.db2.gz SHRZPPZLKNBDBL-PXNSSMCTSA-N 2 2 314.473 3.534 20 0 DHADLP FC(F)(F)C1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000774380804 1036308275 /nfs/dbraw/zinc/30/82/75/1036308275.db2.gz UKVCOGVOKPLCQE-PIMMBPRGSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)C1CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000774380804 1036308291 /nfs/dbraw/zinc/30/82/91/1036308291.db2.gz UKVCOGVOKPLCQE-PIMMBPRGSA-N 2 2 304.400 3.714 20 0 DHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000541770179 1036427538 /nfs/dbraw/zinc/42/75/38/1036427538.db2.gz CWPMUNYVCYLHQG-RXYHWBRQSA-N 2 2 320.427 3.642 20 0 DHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000541770179 1036427552 /nfs/dbraw/zinc/42/75/52/1036427552.db2.gz CWPMUNYVCYLHQG-RXYHWBRQSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000541770179 1036427562 /nfs/dbraw/zinc/42/75/62/1036427562.db2.gz CWPMUNYVCYLHQG-RXYHWBRQSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000541770179 1036427576 /nfs/dbraw/zinc/42/75/76/1036427576.db2.gz CWPMUNYVCYLHQG-RXYHWBRQSA-N 2 2 320.427 3.642 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001182845956 1036460203 /nfs/dbraw/zinc/46/02/03/1036460203.db2.gz YLKWZQRQRAATRK-HOCLYGCPSA-N 2 2 306.519 3.802 20 0 DHADLP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001182845956 1036460208 /nfs/dbraw/zinc/46/02/08/1036460208.db2.gz YLKWZQRQRAATRK-HOCLYGCPSA-N 2 2 306.519 3.802 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC001182874210 1036470160 /nfs/dbraw/zinc/47/01/60/1036470160.db2.gz PXLCLMNBQRYBRG-CABCVRRESA-N 2 2 302.453 3.910 20 0 DHADLP COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151686947 1036599158 /nfs/dbraw/zinc/59/91/58/1036599158.db2.gz PJTOBNLFDMQQOH-LSDHHAIUSA-N 2 2 301.434 3.727 20 0 DHADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2F)CC1 ZINC001205281119 1036664193 /nfs/dbraw/zinc/66/41/93/1036664193.db2.gz PWTFDZMCTSDJDW-CQSZACIVSA-N 2 2 322.321 3.687 20 0 DHADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2F)CC1 ZINC001205281119 1036664202 /nfs/dbraw/zinc/66/42/02/1036664202.db2.gz PWTFDZMCTSDJDW-CQSZACIVSA-N 2 2 322.321 3.687 20 0 DHADLP C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000645964247 1036765003 /nfs/dbraw/zinc/76/50/03/1036765003.db2.gz XYEVLNYFTWILEP-GOSISDBHSA-N 2 2 301.409 3.510 20 0 DHADLP C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000645964247 1036765023 /nfs/dbraw/zinc/76/50/23/1036765023.db2.gz XYEVLNYFTWILEP-GOSISDBHSA-N 2 2 301.409 3.510 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184253113 1036786181 /nfs/dbraw/zinc/78/61/81/1036786181.db2.gz TYXNSJWKFGPZDI-OAHLLOKOSA-N 2 2 306.519 3.661 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184253113 1036786197 /nfs/dbraw/zinc/78/61/97/1036786197.db2.gz TYXNSJWKFGPZDI-OAHLLOKOSA-N 2 2 306.519 3.661 20 0 DHADLP C[C@@H](Cc1ccco1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477456 1036787543 /nfs/dbraw/zinc/78/75/43/1036787543.db2.gz YOBBSGITFHIWPI-WMZOPIPTSA-N 2 2 312.457 3.853 20 0 DHADLP C[C@@H](Cc1ccco1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477456 1036787555 /nfs/dbraw/zinc/78/75/55/1036787555.db2.gz YOBBSGITFHIWPI-WMZOPIPTSA-N 2 2 312.457 3.853 20 0 DHADLP Cc1oc(C(C)(C)C)cc1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001184375033 1036827812 /nfs/dbraw/zinc/82/78/12/1036827812.db2.gz RDXBWTAZAOYPII-UHFFFAOYSA-N 2 2 315.461 3.999 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccnc(Cl)c1 ZINC000152248593 1036981674 /nfs/dbraw/zinc/98/16/74/1036981674.db2.gz CYNRYVNYDVAZLS-CYBMUJFWSA-N 2 2 312.804 3.772 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(Cl)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745255 1037175508 /nfs/dbraw/zinc/17/55/08/1037175508.db2.gz XJSSVRGESRYTLJ-ZBFHGGJFSA-N 2 2 318.848 3.933 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(Cl)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309745255 1037175513 /nfs/dbraw/zinc/17/55/13/1037175513.db2.gz XJSSVRGESRYTLJ-ZBFHGGJFSA-N 2 2 318.848 3.933 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(Cl)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745251 1037175604 /nfs/dbraw/zinc/17/56/04/1037175604.db2.gz XJSSVRGESRYTLJ-GDBMZVCRSA-N 2 2 318.848 3.933 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(Cl)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309745251 1037175613 /nfs/dbraw/zinc/17/56/13/1037175613.db2.gz XJSSVRGESRYTLJ-GDBMZVCRSA-N 2 2 318.848 3.933 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001199208691 1037216455 /nfs/dbraw/zinc/21/64/55/1037216455.db2.gz SNAUYEMNCSDAIF-UHFFFAOYSA-N 2 2 315.436 3.708 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC001199208691 1037216466 /nfs/dbraw/zinc/21/64/66/1037216466.db2.gz SNAUYEMNCSDAIF-UHFFFAOYSA-N 2 2 315.436 3.708 20 0 DHADLP c1cn2c(cccc2CNc2cccc(C[NH+]3CCCCC3)c2)[nH+]1 ZINC001199465115 1037264259 /nfs/dbraw/zinc/26/42/59/1037264259.db2.gz VZTHMJYIMYANQW-UHFFFAOYSA-N 2 2 320.440 3.932 20 0 DHADLP Clc1ccnc2c1CCC[C@H]2[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000924843739 1037269559 /nfs/dbraw/zinc/26/95/59/1037269559.db2.gz MRJCJCCEJLZFIK-QGZVFWFLSA-N 2 2 319.880 3.719 20 0 DHADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193840888 1037300099 /nfs/dbraw/zinc/30/00/99/1037300099.db2.gz TWJOFAMKJVFPTN-LBPRGKRZSA-N 2 2 316.367 3.672 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000311729898 1037310899 /nfs/dbraw/zinc/31/08/99/1037310899.db2.gz OFNYHQKDVKYLMD-GDBMZVCRSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000311729898 1037310920 /nfs/dbraw/zinc/31/09/20/1037310920.db2.gz OFNYHQKDVKYLMD-GDBMZVCRSA-N 2 2 323.278 3.510 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000776124132 1037466193 /nfs/dbraw/zinc/46/61/93/1037466193.db2.gz YZEXYQAEGXZFJS-ABAIWWIYSA-N 2 2 313.272 3.751 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C[N@H+]1C1CC1 ZINC000776124132 1037466224 /nfs/dbraw/zinc/46/62/24/1037466224.db2.gz YZEXYQAEGXZFJS-ABAIWWIYSA-N 2 2 313.272 3.751 20 0 DHADLP CCCC[C@H](CC)C[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201559885 1037778403 /nfs/dbraw/zinc/77/84/03/1037778403.db2.gz OCJFCECHQFBXPS-KRWDZBQOSA-N 2 2 318.509 3.511 20 0 DHADLP Fc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491055386 1037901390 /nfs/dbraw/zinc/90/13/90/1037901390.db2.gz GQBNPKBVUZJGBG-GOSISDBHSA-N 2 2 304.453 3.914 20 0 DHADLP Fc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000491055386 1037901400 /nfs/dbraw/zinc/90/14/00/1037901400.db2.gz GQBNPKBVUZJGBG-GOSISDBHSA-N 2 2 304.453 3.914 20 0 DHADLP COc1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c(Cl)c1 ZINC001201962377 1037954863 /nfs/dbraw/zinc/95/48/63/1037954863.db2.gz AHUUCJYIYIIDPV-CQSZACIVSA-N 2 2 310.869 3.703 20 0 DHADLP COc1ccc(CC[C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163802459 1038003169 /nfs/dbraw/zinc/00/31/69/1038003169.db2.gz BIIVMZWOVUVIEC-INIZCTEOSA-N 2 2 313.445 3.503 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCC[C@@H](c3ccccc3)C1)CC2 ZINC000494432594 1038095181 /nfs/dbraw/zinc/09/51/81/1038095181.db2.gz CCVMUSCOGFRWCY-CEXWTWQISA-N 2 2 309.457 3.904 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCC[C@@H](c3ccccc3)C1)CC2 ZINC000494432603 1038095886 /nfs/dbraw/zinc/09/58/86/1038095886.db2.gz CCVMUSCOGFRWCY-QRVBRYPASA-N 2 2 309.457 3.904 20 0 DHADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000629581225 1038107592 /nfs/dbraw/zinc/10/75/92/1038107592.db2.gz SCGFBPQLALDFKU-OAHLLOKOSA-N 2 2 311.267 3.504 20 0 DHADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000629581225 1038107598 /nfs/dbraw/zinc/10/75/98/1038107598.db2.gz SCGFBPQLALDFKU-OAHLLOKOSA-N 2 2 311.267 3.504 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000127411744 1038179117 /nfs/dbraw/zinc/17/91/17/1038179117.db2.gz MBALFINMZZJDQY-UHFFFAOYSA-N 2 2 324.255 3.947 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000127411744 1038179132 /nfs/dbraw/zinc/17/91/32/1038179132.db2.gz MBALFINMZZJDQY-UHFFFAOYSA-N 2 2 324.255 3.947 20 0 DHADLP CC[NH+](CC)C1CC[NH+](C[C@H]2CC3(CO2)CCCCC3)CC1 ZINC001190392250 1038306900 /nfs/dbraw/zinc/30/69/00/1038306900.db2.gz LYKFXQMNXSCVKD-GOSISDBHSA-N 2 2 308.510 3.532 20 0 DHADLP Cc1[nH+]cc(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)n1C ZINC000572016453 1038319176 /nfs/dbraw/zinc/31/91/76/1038319176.db2.gz WGRRZFAYSNBCTE-UHFFFAOYSA-N 2 2 311.433 3.525 20 0 DHADLP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000224285045 1038634920 /nfs/dbraw/zinc/63/49/20/1038634920.db2.gz QUUXCUQRVJVOEG-JLJPHGGASA-N 2 2 301.459 3.807 20 0 DHADLP COc1cccc2c(N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000573738731 1039069557 /nfs/dbraw/zinc/06/95/57/1039069557.db2.gz UXXLZLQRGRAIAH-KGLIPLIRSA-N 2 2 311.429 3.589 20 0 DHADLP COc1cccc2c(N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc(C)[nH+]c12 ZINC000573738731 1039069573 /nfs/dbraw/zinc/06/95/73/1039069573.db2.gz UXXLZLQRGRAIAH-KGLIPLIRSA-N 2 2 311.429 3.589 20 0 DHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000607358053 1040150772 /nfs/dbraw/zinc/15/07/72/1040150772.db2.gz UABCUSPHVACQBS-NVXWUHKLSA-N 2 2 322.412 3.936 20 0 DHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000607358053 1040150779 /nfs/dbraw/zinc/15/07/79/1040150779.db2.gz UABCUSPHVACQBS-NVXWUHKLSA-N 2 2 322.412 3.936 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000608069272 1040363721 /nfs/dbraw/zinc/36/37/21/1040363721.db2.gz AFXJOAXYGSUALY-GOSISDBHSA-N 2 2 309.388 3.633 20 0 DHADLP C[C@H](CCc1ccco1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050097 185279747 /nfs/dbraw/zinc/27/97/47/185279747.db2.gz JOODKEDNLPWIAZ-OAHLLOKOSA-N 2 2 311.429 3.710 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)o1 ZINC000090667219 185308659 /nfs/dbraw/zinc/30/86/59/185308659.db2.gz MNWBFZHFONMWAP-CVEARBPZSA-N 2 2 313.445 3.859 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000072860634 191241067 /nfs/dbraw/zinc/24/10/67/191241067.db2.gz SSNGFGZZUOCQCG-JKSUJKDBSA-N 2 2 313.445 3.676 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000072860634 191241069 /nfs/dbraw/zinc/24/10/69/191241069.db2.gz SSNGFGZZUOCQCG-JKSUJKDBSA-N 2 2 313.445 3.676 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000072860634 191241072 /nfs/dbraw/zinc/24/10/72/191241072.db2.gz SSNGFGZZUOCQCG-JKSUJKDBSA-N 2 2 313.445 3.676 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000072860634 191241075 /nfs/dbraw/zinc/24/10/75/191241075.db2.gz SSNGFGZZUOCQCG-JKSUJKDBSA-N 2 2 313.445 3.676 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000072859119 191241656 /nfs/dbraw/zinc/24/16/56/191241656.db2.gz XBQIJDURQKTZBP-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000072859119 191241659 /nfs/dbraw/zinc/24/16/59/191241659.db2.gz XBQIJDURQKTZBP-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000072859119 191241662 /nfs/dbraw/zinc/24/16/62/191241662.db2.gz XBQIJDURQKTZBP-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000072859119 191241664 /nfs/dbraw/zinc/24/16/64/191241664.db2.gz XBQIJDURQKTZBP-HNNXBMFYSA-N 2 2 315.486 3.584 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC)c(OC)c2)C1 ZINC000081570143 192293635 /nfs/dbraw/zinc/29/36/35/192293635.db2.gz OIJZGSASZOBNEN-MRXNPFEDSA-N 2 2 322.518 3.581 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(SC)c(OC)c2)C1 ZINC000081570143 192293637 /nfs/dbraw/zinc/29/36/37/192293637.db2.gz OIJZGSASZOBNEN-MRXNPFEDSA-N 2 2 322.518 3.581 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000081570143 192293640 /nfs/dbraw/zinc/29/36/40/192293640.db2.gz OIJZGSASZOBNEN-MRXNPFEDSA-N 2 2 322.518 3.581 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000081570143 192293642 /nfs/dbraw/zinc/29/36/42/192293642.db2.gz OIJZGSASZOBNEN-MRXNPFEDSA-N 2 2 322.518 3.581 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(Cl)s1 ZINC000019232501 182110474 /nfs/dbraw/zinc/11/04/74/182110474.db2.gz RCFSPFCYQFVKFL-UHFFFAOYSA-N 2 2 305.834 3.849 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1C ZINC000272791476 130064230 /nfs/dbraw/zinc/06/42/30/130064230.db2.gz AXGDTRRSWNQGKZ-OAHLLOKOSA-N 2 2 309.413 3.545 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000274284098 130224232 /nfs/dbraw/zinc/22/42/32/130224232.db2.gz KNKJDOMNRQXHPN-HUUCEWRRSA-N 2 2 301.434 3.800 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CCS2 ZINC000275392732 130315032 /nfs/dbraw/zinc/31/50/32/130315032.db2.gz YTSCADQWNMKZRI-GOEBONIOSA-N 2 2 301.459 3.715 20 0 DHADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nc2ccccc2n1C(F)F ZINC000275481547 130326475 /nfs/dbraw/zinc/32/64/75/130326475.db2.gz QKJRDEOGJAKUSE-OLZOCXBDSA-N 2 2 322.403 3.566 20 0 DHADLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nc2ccccc2n1C(F)F ZINC000275481547 130326477 /nfs/dbraw/zinc/32/64/77/130326477.db2.gz QKJRDEOGJAKUSE-OLZOCXBDSA-N 2 2 322.403 3.566 20 0 DHADLP C[C@@H]1[C@@H]([NH2+]Cc2ccsc2)CCC[N@@H+]1Cc1ccccc1 ZINC000340180954 131007938 /nfs/dbraw/zinc/00/79/38/131007938.db2.gz NKMYTXJFCLJDBR-QAPCUYQASA-N 2 2 300.471 3.891 20 0 DHADLP C[C@@H]1[C@@H]([NH2+]Cc2ccsc2)CCC[N@H+]1Cc1ccccc1 ZINC000340180954 131007939 /nfs/dbraw/zinc/00/79/39/131007939.db2.gz NKMYTXJFCLJDBR-QAPCUYQASA-N 2 2 300.471 3.891 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000340181899 131013204 /nfs/dbraw/zinc/01/32/04/131013204.db2.gz JVWWKDSJACAFJE-IXDOHACOSA-N 2 2 316.489 3.714 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C2CC2)c1 ZINC000340181899 131013206 /nfs/dbraw/zinc/01/32/06/131013206.db2.gz JVWWKDSJACAFJE-IXDOHACOSA-N 2 2 316.489 3.714 20 0 DHADLP CC[N@H+](CCCCCF)CC1CCN(c2cccc[nH+]2)CC1 ZINC000283904834 131032640 /nfs/dbraw/zinc/03/26/40/131032640.db2.gz BNIVYTLVSJRALM-UHFFFAOYSA-N 2 2 307.457 3.760 20 0 DHADLP CC[N@@H+](CCCCCF)CC1CCN(c2cccc[nH+]2)CC1 ZINC000283904834 131032641 /nfs/dbraw/zinc/03/26/41/131032641.db2.gz BNIVYTLVSJRALM-UHFFFAOYSA-N 2 2 307.457 3.760 20 0 DHADLP Cc1ccc2[nH+]cc(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n2c1 ZINC000284527384 131088908 /nfs/dbraw/zinc/08/89/08/131088908.db2.gz ZSQJBOPPAXXFBC-HIFRSBDPSA-N 2 2 324.255 3.658 20 0 DHADLP Cc1ccc2[nH+]cc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)n2c1 ZINC000284527384 131088909 /nfs/dbraw/zinc/08/89/09/131088909.db2.gz ZSQJBOPPAXXFBC-HIFRSBDPSA-N 2 2 324.255 3.658 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000286048327 131217440 /nfs/dbraw/zinc/21/74/40/131217440.db2.gz KVVXYNVHUWIQMT-WSTZPKSXSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000286048327 131217441 /nfs/dbraw/zinc/21/74/41/131217441.db2.gz KVVXYNVHUWIQMT-WSTZPKSXSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000286270184 131227659 /nfs/dbraw/zinc/22/76/59/131227659.db2.gz VIBNQDRINIGFHK-CVEARBPZSA-N 2 2 306.413 3.988 20 0 DHADLP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000287771340 131299682 /nfs/dbraw/zinc/29/96/82/131299682.db2.gz NSYGSKRPIFDTKY-ZDUSSCGKSA-N 2 2 303.837 3.809 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1OC(F)F ZINC000289184840 131364085 /nfs/dbraw/zinc/36/40/85/131364085.db2.gz GKPUXCRRLXUFQO-UHFFFAOYSA-N 2 2 306.356 3.714 20 0 DHADLP C[C@H]1[C@H]([NH2+]CCCc2ccccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000340307584 131368711 /nfs/dbraw/zinc/36/87/11/131368711.db2.gz HABZDVXEKAEBCZ-GHTZIAJQSA-N 2 2 323.484 3.657 20 0 DHADLP C[C@H]1[C@H]([NH2+]CCCc2ccccn2)CCC[N@H+]1Cc1ccccc1 ZINC000340307584 131368712 /nfs/dbraw/zinc/36/87/12/131368712.db2.gz HABZDVXEKAEBCZ-GHTZIAJQSA-N 2 2 323.484 3.657 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](c4ccncc4)C3)cc2)c[nH+]1 ZINC000289457306 131387983 /nfs/dbraw/zinc/38/79/83/131387983.db2.gz XXIFBCCCCFVNFV-IBGZPJMESA-N 2 2 318.424 3.647 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](c4ccncc4)C3)cc2)c[nH+]1 ZINC000289457306 131387984 /nfs/dbraw/zinc/38/79/84/131387984.db2.gz XXIFBCCCCFVNFV-IBGZPJMESA-N 2 2 318.424 3.647 20 0 DHADLP COCC1CCC([NH2+]CCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000294729122 131855884 /nfs/dbraw/zinc/85/58/84/131855884.db2.gz IWLDMABHUVVHCG-UHFFFAOYSA-N 2 2 315.461 3.530 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000297583869 132024399 /nfs/dbraw/zinc/02/43/99/132024399.db2.gz HHRABNIXQZCSMX-HOTGVXAUSA-N 2 2 313.445 3.865 20 0 DHADLP c1cc(N2CCC([NH2+]c3ccc(OCC4CC4)cc3)CC2)cc[nH+]1 ZINC000297968157 132042926 /nfs/dbraw/zinc/04/29/26/132042926.db2.gz XBPULXWTOATTQF-UHFFFAOYSA-N 2 2 323.440 3.951 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(F)c1 ZINC000119861092 132138319 /nfs/dbraw/zinc/13/83/19/132138319.db2.gz JIFBORFKOBAQES-ZDUSSCGKSA-N 2 2 308.441 3.748 20 0 DHADLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000120041845 132139179 /nfs/dbraw/zinc/13/91/79/132139179.db2.gz WYVLXBHKGPLGGI-UHFFFAOYSA-N 2 2 315.442 3.598 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000558105444 331876981 /nfs/dbraw/zinc/87/69/81/331876981.db2.gz ZUJNJAMSXYHALZ-YLHGKKIISA-N 2 2 323.362 3.984 20 0 DHADLP CCOc1cccc(Cl)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000572614116 332031981 /nfs/dbraw/zinc/03/19/81/332031981.db2.gz XJFIDKFJHCXJSX-UHFFFAOYSA-N 2 2 321.852 3.766 20 0 DHADLP CCOc1cccc(Cl)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000572614116 332031982 /nfs/dbraw/zinc/03/19/82/332031982.db2.gz XJFIDKFJHCXJSX-UHFFFAOYSA-N 2 2 321.852 3.766 20 0 DHADLP C[NH+](C)C1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000091671576 332080534 /nfs/dbraw/zinc/08/05/34/332080534.db2.gz LVEBEUFILIQWMP-UHFFFAOYSA-N 2 2 300.471 3.941 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448024027 332189655 /nfs/dbraw/zinc/18/96/55/332189655.db2.gz WBOAORNSOBITGV-DYVFJYSZSA-N 2 2 302.393 3.516 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448024027 332189656 /nfs/dbraw/zinc/18/96/56/332189656.db2.gz WBOAORNSOBITGV-DYVFJYSZSA-N 2 2 302.393 3.516 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH+]1CCC(Nc3cccc[nH+]3)CC1)CC2 ZINC000536369657 332233937 /nfs/dbraw/zinc/23/39/37/332233937.db2.gz QAWMFMGMPCFWEQ-GOSISDBHSA-N 2 2 311.404 3.785 20 0 DHADLP CCC(CC)(C[NH2+][C@H](C)c1cn[nH]c1)[NH2+][C@@H](C)c1ccccc1 ZINC000556233886 332267070 /nfs/dbraw/zinc/26/70/70/332267070.db2.gz LUCPUFJOFXKIMS-CVEARBPZSA-N 2 2 314.477 3.970 20 0 DHADLP CCC(CC)(C[NH2+][C@@H](C)c1cn[nH]c1)[NH2+][C@@H](C)c1ccccc1 ZINC000556233911 332267117 /nfs/dbraw/zinc/26/71/17/332267117.db2.gz LUCPUFJOFXKIMS-HOTGVXAUSA-N 2 2 314.477 3.970 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c2ccccc21 ZINC000559859559 332286250 /nfs/dbraw/zinc/28/62/50/332286250.db2.gz YYYDKOGNVRYGFC-STQMWFEESA-N 2 2 309.388 3.910 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c2ccccc21 ZINC000559859559 332286251 /nfs/dbraw/zinc/28/62/51/332286251.db2.gz YYYDKOGNVRYGFC-STQMWFEESA-N 2 2 309.388 3.910 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c2ccccc21 ZINC000559859553 332286354 /nfs/dbraw/zinc/28/63/54/332286354.db2.gz YYYDKOGNVRYGFC-OLZOCXBDSA-N 2 2 309.388 3.910 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c2ccccc21 ZINC000559859553 332286355 /nfs/dbraw/zinc/28/63/55/332286355.db2.gz YYYDKOGNVRYGFC-OLZOCXBDSA-N 2 2 309.388 3.910 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000525990491 332338748 /nfs/dbraw/zinc/33/87/48/332338748.db2.gz WJJJBMCPIUHDJM-XDQVBPFNSA-N 2 2 312.910 3.825 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000525990491 332338749 /nfs/dbraw/zinc/33/87/49/332338749.db2.gz WJJJBMCPIUHDJM-XDQVBPFNSA-N 2 2 312.910 3.825 20 0 DHADLP CC[NH+](CC)CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000152810924 332387844 /nfs/dbraw/zinc/38/78/44/332387844.db2.gz USBSTMXJBGGNCK-KGLIPLIRSA-N 2 2 305.491 3.720 20 0 DHADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000560961498 332397080 /nfs/dbraw/zinc/39/70/80/332397080.db2.gz XNTJNADMOHJBTH-CQSZACIVSA-N 2 2 309.866 3.536 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427843080 332536735 /nfs/dbraw/zinc/53/67/35/332536735.db2.gz LSCXBKOZVRLCRR-YPMHNXCESA-N 2 2 318.490 3.611 20 0 DHADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427847944 332537868 /nfs/dbraw/zinc/53/78/68/332537868.db2.gz WHZQIURJVRBSHI-HZMBPMFUSA-N 2 2 322.239 3.782 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc2cc(Cl)ccc2o1 ZINC000427875515 332552022 /nfs/dbraw/zinc/55/20/22/332552022.db2.gz KDGYGCVILRCORR-BXUZGUMPSA-N 2 2 315.804 3.948 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1Cl ZINC000427890393 332556351 /nfs/dbraw/zinc/55/63/51/332556351.db2.gz JCDQPMCYPGXDPD-GHMZBOCLSA-N 2 2 310.228 3.856 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000427891059 332556523 /nfs/dbraw/zinc/55/65/23/332556523.db2.gz KYHNRAFPDZELRT-GOEBONIOSA-N 2 2 313.470 3.641 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000163754051 332968935 /nfs/dbraw/zinc/96/89/35/332968935.db2.gz SURGZGUIBDMLTC-GOSISDBHSA-N 2 2 324.468 3.678 20 0 DHADLP CC(C)OCCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180461566 333027807 /nfs/dbraw/zinc/02/78/07/333027807.db2.gz OVKDVYVHONMXDH-MRXNPFEDSA-N 2 2 301.434 3.728 20 0 DHADLP CC(C)[C@H](C[NH2+]Cc1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000518768325 333051619 /nfs/dbraw/zinc/05/16/19/333051619.db2.gz QOTICXLSAMADLB-IBGZPJMESA-N 2 2 314.498 3.921 20 0 DHADLP CC(C)[C@H](C[NH2+]Cc1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000518768325 333051620 /nfs/dbraw/zinc/05/16/20/333051620.db2.gz QOTICXLSAMADLB-IBGZPJMESA-N 2 2 314.498 3.921 20 0 DHADLP Cc1cc(C)cc(OCCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000177717944 333131811 /nfs/dbraw/zinc/13/18/11/333131811.db2.gz XZCXWUHUYVWMDT-UHFFFAOYSA-N 2 2 313.445 3.606 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000187923647 333154017 /nfs/dbraw/zinc/15/40/17/333154017.db2.gz BAGRGPCBKUBJAF-MRXNPFEDSA-N 2 2 324.896 3.901 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000187923647 333154019 /nfs/dbraw/zinc/15/40/19/333154019.db2.gz BAGRGPCBKUBJAF-MRXNPFEDSA-N 2 2 324.896 3.901 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000187923647 333154020 /nfs/dbraw/zinc/15/40/20/333154020.db2.gz BAGRGPCBKUBJAF-MRXNPFEDSA-N 2 2 324.896 3.901 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000187923647 333154022 /nfs/dbraw/zinc/15/40/22/333154022.db2.gz BAGRGPCBKUBJAF-MRXNPFEDSA-N 2 2 324.896 3.901 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000309708418 333191152 /nfs/dbraw/zinc/19/11/52/333191152.db2.gz IKTGESYGVMUIAN-RHSMWYFYSA-N 2 2 315.486 3.624 20 0 DHADLP Cc1nc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000309708418 333191154 /nfs/dbraw/zinc/19/11/54/333191154.db2.gz IKTGESYGVMUIAN-RHSMWYFYSA-N 2 2 315.486 3.624 20 0 DHADLP CSc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000582062603 333195954 /nfs/dbraw/zinc/19/59/54/333195954.db2.gz QRXWHXABDVCATK-KRWDZBQOSA-N 2 2 301.459 3.662 20 0 DHADLP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)c(F)c1 ZINC000570953443 333207984 /nfs/dbraw/zinc/20/79/84/333207984.db2.gz SKHXHHCPBXQKDT-SFHVURJKSA-N 2 2 317.408 3.552 20 0 DHADLP Cc1cscc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309949135 333209429 /nfs/dbraw/zinc/20/94/29/333209429.db2.gz LZYZEAUHZBTWSZ-MAUKXSAKSA-N 2 2 300.471 3.809 20 0 DHADLP Cc1cscc1C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309949135 333209430 /nfs/dbraw/zinc/20/94/30/333209430.db2.gz LZYZEAUHZBTWSZ-MAUKXSAKSA-N 2 2 300.471 3.809 20 0 DHADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000518784762 333223289 /nfs/dbraw/zinc/22/32/89/333223289.db2.gz SMNKUSRKMMWCRJ-ZDUSSCGKSA-N 2 2 324.877 3.996 20 0 DHADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000518784762 333223290 /nfs/dbraw/zinc/22/32/90/333223290.db2.gz SMNKUSRKMMWCRJ-ZDUSSCGKSA-N 2 2 324.877 3.996 20 0 DHADLP Cc1ccc2c(C)cc(N3CC[NH+](C4CCCC4)CC3)[nH+]c2c1 ZINC000497534606 333259916 /nfs/dbraw/zinc/25/99/16/333259916.db2.gz GLMSIBGYUBMBMY-UHFFFAOYSA-N 2 2 309.457 3.916 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000390564377 333300632 /nfs/dbraw/zinc/30/06/32/333300632.db2.gz NHNJBKWKQLPRIF-OIISXLGYSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000390564377 333300633 /nfs/dbraw/zinc/30/06/33/333300633.db2.gz NHNJBKWKQLPRIF-OIISXLGYSA-N 2 2 308.416 3.674 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497854669 333302267 /nfs/dbraw/zinc/30/22/67/333302267.db2.gz XBZRVTGHSSZGDN-MOPGFXCFSA-N 2 2 302.437 3.836 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497854669 333302268 /nfs/dbraw/zinc/30/22/68/333302268.db2.gz XBZRVTGHSSZGDN-MOPGFXCFSA-N 2 2 302.437 3.836 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000390581605 333303760 /nfs/dbraw/zinc/30/37/60/333303760.db2.gz IODZUYIANWBXCT-HRAATJIYSA-N 2 2 324.468 3.793 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000390581605 333303761 /nfs/dbraw/zinc/30/37/61/333303761.db2.gz IODZUYIANWBXCT-HRAATJIYSA-N 2 2 324.468 3.793 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000390581606 333303768 /nfs/dbraw/zinc/30/37/68/333303768.db2.gz IODZUYIANWBXCT-IERDGZPVSA-N 2 2 324.468 3.793 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000390581606 333303769 /nfs/dbraw/zinc/30/37/69/333303769.db2.gz IODZUYIANWBXCT-IERDGZPVSA-N 2 2 324.468 3.793 20 0 DHADLP C[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)c1cccc(Cl)c1 ZINC000188246683 333362012 /nfs/dbraw/zinc/36/20/12/333362012.db2.gz MFEACJSFBDCXMQ-CQSZACIVSA-N 2 2 313.832 3.924 20 0 DHADLP CCCCc1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000047972652 333556773 /nfs/dbraw/zinc/55/67/73/333556773.db2.gz WVYJVWDZNRTEBK-UHFFFAOYSA-N 2 2 321.534 3.794 20 0 DHADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000563429724 333604263 /nfs/dbraw/zinc/60/42/63/333604263.db2.gz WDCAHZLZIDSWDM-ABAIWWIYSA-N 2 2 321.877 3.551 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000414124661 333898628 /nfs/dbraw/zinc/89/86/28/333898628.db2.gz KWWNLICGKRQMJW-KRWDZBQOSA-N 2 2 303.837 3.747 20 0 DHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCc1cn(C)c[nH+]1 ZINC000414126711 333899434 /nfs/dbraw/zinc/89/94/34/333899434.db2.gz OVDTWCDXDYGUSY-GOSISDBHSA-N 2 2 313.445 3.590 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000343600313 335176136 /nfs/dbraw/zinc/17/61/36/335176136.db2.gz FSYVXSJMGNLQNB-WMZOPIPTSA-N 2 2 314.816 3.876 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([N@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000343600313 335176137 /nfs/dbraw/zinc/17/61/37/335176137.db2.gz FSYVXSJMGNLQNB-WMZOPIPTSA-N 2 2 314.816 3.876 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c(C)o1 ZINC000278276768 334094469 /nfs/dbraw/zinc/09/44/69/334094469.db2.gz PNTCAGLPBMNWGR-CYBMUJFWSA-N 2 2 310.401 3.636 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)s1 ZINC000278512568 334097458 /nfs/dbraw/zinc/09/74/58/334097458.db2.gz MFYDRQQUHNUMPB-OLZOCXBDSA-N 2 2 316.898 3.553 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)s1 ZINC000278512568 334097459 /nfs/dbraw/zinc/09/74/59/334097459.db2.gz MFYDRQQUHNUMPB-OLZOCXBDSA-N 2 2 316.898 3.553 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@@H](C[NH3+])CC(C)C)s2)cc1 ZINC000414838393 334111867 /nfs/dbraw/zinc/11/18/67/334111867.db2.gz KRDGBQFUPMNSIE-OAHLLOKOSA-N 2 2 303.475 3.582 20 0 DHADLP COc1ccsc1C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414839335 334112229 /nfs/dbraw/zinc/11/22/29/334112229.db2.gz FXKUBMSCRSWOIM-HNNXBMFYSA-N 2 2 304.459 3.670 20 0 DHADLP Clc1ccccc1CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000343605752 335176758 /nfs/dbraw/zinc/17/67/58/335176758.db2.gz IUOCGADKIULWLL-UHFFFAOYSA-N 2 2 303.837 3.875 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)(F)F)s1 ZINC000343595586 335180531 /nfs/dbraw/zinc/18/05/31/335180531.db2.gz BUGHWFWTXBBQJO-UHFFFAOYSA-N 2 2 306.397 3.685 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)(F)F)s1 ZINC000343595586 335180532 /nfs/dbraw/zinc/18/05/32/335180532.db2.gz BUGHWFWTXBBQJO-UHFFFAOYSA-N 2 2 306.397 3.685 20 0 DHADLP Clc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415082892 334271980 /nfs/dbraw/zinc/27/19/80/334271980.db2.gz PAELCMKYUCORLT-WMZOPIPTSA-N 2 2 300.833 3.923 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000187757314 334272020 /nfs/dbraw/zinc/27/20/20/334272020.db2.gz IRJAKFWXUQEOFV-INIZCTEOSA-N 2 2 323.415 3.791 20 0 DHADLP Cc1nc2ccc(C[NH2+]C[C@H]3[NH2+]CCc4ccccc43)cc2s1 ZINC000414952434 334207114 /nfs/dbraw/zinc/20/71/14/334207114.db2.gz IGGWOAWQHUDRDE-GOSISDBHSA-N 2 2 323.465 3.581 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3C[C@@H](C)Oc4ccccc43)n2c1 ZINC000295067922 334217037 /nfs/dbraw/zinc/21/70/37/334217037.db2.gz PAINSYGCDXAYBS-RHSMWYFYSA-N 2 2 307.397 3.645 20 0 DHADLP Cc1[nH+]cn(Cc2ccc(F)c(Cn3c[nH+]c(C)c3C)c2)c1C ZINC000297405572 334241409 /nfs/dbraw/zinc/24/14/09/334241409.db2.gz GBXKIGANQVKDOW-UHFFFAOYSA-N 2 2 312.392 3.549 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000187847500 334275796 /nfs/dbraw/zinc/27/57/96/334275796.db2.gz DFPHJCONJKZDFK-CQSZACIVSA-N 2 2 311.404 3.855 20 0 DHADLP FC(F)(F)c1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415039065 334260650 /nfs/dbraw/zinc/26/06/50/334260650.db2.gz IRUIQBVMLUPHMA-DLBZAZTESA-N 2 2 320.358 3.551 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000415065858 334262448 /nfs/dbraw/zinc/26/24/48/334262448.db2.gz NRYMTAKPRJQIMR-KRWDZBQOSA-N 2 2 315.486 3.763 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415064270 334262489 /nfs/dbraw/zinc/26/24/89/334262489.db2.gz CEOHVBZYXHCKJE-SFHVURJKSA-N 2 2 310.441 3.594 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc2ncccc2c1 ZINC000415061702 334262514 /nfs/dbraw/zinc/26/25/14/334262514.db2.gz DCKNZIJYEUABOR-LJQANCHMSA-N 2 2 305.425 3.587 20 0 DHADLP Fc1cc(Cl)ccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000187580880 334265667 /nfs/dbraw/zinc/26/56/67/334265667.db2.gz QIWUSZDTKBEOBQ-UHFFFAOYSA-N 2 2 319.811 3.633 20 0 DHADLP c1cc(C[NH+]2CCN(c3cc[nH+]c4ccsc43)CC2)cs1 ZINC000534527493 334278897 /nfs/dbraw/zinc/27/88/97/334278897.db2.gz LKUXWGAFRGUGMG-UHFFFAOYSA-N 2 2 315.467 3.680 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1c(Cl)ccc(F)c1Cl ZINC000415113820 334282175 /nfs/dbraw/zinc/28/21/75/334282175.db2.gz SRPULMCIUUIMDZ-ZJUUUORDSA-N 2 2 305.224 3.783 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1nccs1 ZINC000415113777 334282228 /nfs/dbraw/zinc/28/22/28/334282228.db2.gz FNVMVOUHTDDYNE-JYJNAYRXSA-N 2 2 301.459 3.677 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000415105441 334283181 /nfs/dbraw/zinc/28/31/81/334283181.db2.gz MGJNUSRJPRMZTM-CWRNSKLLSA-N 2 2 301.459 3.595 20 0 DHADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000415115001 334283525 /nfs/dbraw/zinc/28/35/25/334283525.db2.gz YDPSYVRQIXHNSF-QWHCGFSZSA-N 2 2 319.449 3.569 20 0 DHADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000415115077 334283642 /nfs/dbraw/zinc/28/36/42/334283642.db2.gz TYMORUBIEAVKCJ-RDBSUJKOSA-N 2 2 307.507 3.593 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000531932688 334296949 /nfs/dbraw/zinc/29/69/49/334296949.db2.gz YKALLBNHAJYARF-IAQYHMDHSA-N 2 2 301.261 3.813 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000531932688 334296950 /nfs/dbraw/zinc/29/69/50/334296950.db2.gz YKALLBNHAJYARF-IAQYHMDHSA-N 2 2 301.261 3.813 20 0 DHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000531938638 334299488 /nfs/dbraw/zinc/29/94/88/334299488.db2.gz IBTJMWCIMKVBMO-CQSZACIVSA-N 2 2 323.387 3.924 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1sccc1Br ZINC000049554371 334349921 /nfs/dbraw/zinc/34/99/21/334349921.db2.gz ZGVJQGDDHJOKDA-ZJUUUORDSA-N 2 2 305.285 3.501 20 0 DHADLP Clc1ccc(C2([NH2+]CCn3cc[nH+]c3)CCCCC2)cc1 ZINC000535034871 334359186 /nfs/dbraw/zinc/35/91/86/334359186.db2.gz UZZQLRQUQMQUFC-UHFFFAOYSA-N 2 2 303.837 3.986 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000532015376 334375132 /nfs/dbraw/zinc/37/51/32/334375132.db2.gz BTZCMVXQFVHVPK-PVAVHDDUSA-N 2 2 308.416 3.989 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000532015376 334375134 /nfs/dbraw/zinc/37/51/34/334375134.db2.gz BTZCMVXQFVHVPK-PVAVHDDUSA-N 2 2 308.416 3.989 20 0 DHADLP CCC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC1(C)C ZINC000417329446 334709177 /nfs/dbraw/zinc/70/91/77/334709177.db2.gz TYEHXPFFNVXSAE-OALUTQOASA-N 2 2 315.505 3.850 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]Cc1cnc(C(F)(F)F)s1)C(C)(C)C ZINC000443985328 338465417 /nfs/dbraw/zinc/46/54/17/338465417.db2.gz GHTPIWBPNNNMNI-NSHDSACASA-N 2 2 323.428 3.618 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000343271942 334896337 /nfs/dbraw/zinc/89/63/37/334896337.db2.gz JGPYMZARJADRCB-MRXNPFEDSA-N 2 2 321.424 3.737 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1cncs1 ZINC000165362474 334909200 /nfs/dbraw/zinc/90/92/00/334909200.db2.gz LMBDQTGUANEFRQ-CYBMUJFWSA-N 2 2 319.449 3.597 20 0 DHADLP C[N@@H+]1CCCC12CC[NH+](Cc1cccc(Br)c1)CC2 ZINC000343753304 335190772 /nfs/dbraw/zinc/19/07/72/335190772.db2.gz SOCUIWMFZHUDSG-UHFFFAOYSA-N 2 2 323.278 3.509 20 0 DHADLP C[N@H+]1CCCC12CC[NH+](Cc1cccc(Br)c1)CC2 ZINC000343753304 335190773 /nfs/dbraw/zinc/19/07/73/335190773.db2.gz SOCUIWMFZHUDSG-UHFFFAOYSA-N 2 2 323.278 3.509 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343866012 335198763 /nfs/dbraw/zinc/19/87/63/335198763.db2.gz SHRKYYXGJPOUIJ-GHMZBOCLSA-N 2 2 321.412 3.544 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343866012 335198764 /nfs/dbraw/zinc/19/87/64/335198764.db2.gz SHRKYYXGJPOUIJ-GHMZBOCLSA-N 2 2 321.412 3.544 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000343839356 335200936 /nfs/dbraw/zinc/20/09/36/335200936.db2.gz MHOVHZMPYSCCDE-GARJFASQSA-N 2 2 321.412 3.685 20 0 DHADLP Cc1csc(C(C)(C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000344213521 335225660 /nfs/dbraw/zinc/22/56/60/335225660.db2.gz QPLKFWLONIKPNB-UHFFFAOYSA-N 2 2 318.471 3.724 20 0 DHADLP c1cn(-c2csc(C[NH2+]CCc3c[nH]c4ccccc34)c2)c[nH+]1 ZINC000344192887 335228992 /nfs/dbraw/zinc/22/89/92/335228992.db2.gz ZJAXUVRPPJBKRJ-UHFFFAOYSA-N 2 2 322.437 3.747 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)C[N@@H+]1C1CC1 ZINC000344330333 335241373 /nfs/dbraw/zinc/24/13/73/335241373.db2.gz ODOKBJDARGXRPY-IIYDPXPESA-N 2 2 320.864 3.769 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)C[N@H+]1C1CC1 ZINC000344330333 335241374 /nfs/dbraw/zinc/24/13/74/335241374.db2.gz ODOKBJDARGXRPY-IIYDPXPESA-N 2 2 320.864 3.769 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(Cl)c1F)CCC2 ZINC000344537346 335255871 /nfs/dbraw/zinc/25/58/71/335255871.db2.gz KJFVYSHJOMLSEU-ZDUSSCGKSA-N 2 2 307.800 3.651 20 0 DHADLP COC1CCC(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344607720 335263538 /nfs/dbraw/zinc/26/35/38/335263538.db2.gz XBQDZWDZEGTWHB-BXXUTWAOSA-N 2 2 316.489 3.617 20 0 DHADLP COC1CCC(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344607720 335263540 /nfs/dbraw/zinc/26/35/40/335263540.db2.gz XBQDZWDZEGTWHB-BXXUTWAOSA-N 2 2 316.489 3.617 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCC2CCCC2)CC1 ZINC000344737219 335272478 /nfs/dbraw/zinc/27/24/78/335272478.db2.gz BESFMLUGCXVLLH-MRXNPFEDSA-N 2 2 310.526 3.824 20 0 DHADLP Clc1ccc([C@H](CC2CC2)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000345257781 335312605 /nfs/dbraw/zinc/31/26/05/335312605.db2.gz BJWPARGMBOCYDE-SJORKVTESA-N 2 2 315.848 3.982 20 0 DHADLP FC(F)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CCC1 ZINC000346156291 335383349 /nfs/dbraw/zinc/38/33/49/335383349.db2.gz APOCBIAWNPARSX-UHFFFAOYSA-N 2 2 311.401 3.801 20 0 DHADLP FC(F)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CCC1 ZINC000346156291 335383350 /nfs/dbraw/zinc/38/33/50/335383350.db2.gz APOCBIAWNPARSX-UHFFFAOYSA-N 2 2 311.401 3.801 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)c2ncccc2c1 ZINC000346162436 335383751 /nfs/dbraw/zinc/38/37/51/335383751.db2.gz GMYBNZSZBHRNQC-MOPGFXCFSA-N 2 2 309.457 3.602 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)c2ncccc2c1 ZINC000346162436 335383753 /nfs/dbraw/zinc/38/37/53/335383753.db2.gz GMYBNZSZBHRNQC-MOPGFXCFSA-N 2 2 309.457 3.602 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)c2ncccc2c1 ZINC000346162436 335383755 /nfs/dbraw/zinc/38/37/55/335383755.db2.gz GMYBNZSZBHRNQC-MOPGFXCFSA-N 2 2 309.457 3.602 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)c2ncccc2c1 ZINC000346162436 335383757 /nfs/dbraw/zinc/38/37/57/335383757.db2.gz GMYBNZSZBHRNQC-MOPGFXCFSA-N 2 2 309.457 3.602 20 0 DHADLP COc1cccc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000346163979 335383895 /nfs/dbraw/zinc/38/38/95/335383895.db2.gz COVPHGURRBCDTC-UHFFFAOYSA-N 2 2 313.426 3.574 20 0 DHADLP COc1cccc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000346163979 335383897 /nfs/dbraw/zinc/38/38/97/335383897.db2.gz COVPHGURRBCDTC-UHFFFAOYSA-N 2 2 313.426 3.574 20 0 DHADLP CC[C@@]1(C)CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346166438 335384496 /nfs/dbraw/zinc/38/44/96/335384496.db2.gz JCVWANGRUWATRU-SFHVURJKSA-N 2 2 321.534 3.922 20 0 DHADLP CC[C@@]1(C)CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346166438 335384497 /nfs/dbraw/zinc/38/44/97/335384497.db2.gz JCVWANGRUWATRU-SFHVURJKSA-N 2 2 321.534 3.922 20 0 DHADLP CC[C@@]1(C)CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000346166438 335384498 /nfs/dbraw/zinc/38/44/98/335384498.db2.gz JCVWANGRUWATRU-SFHVURJKSA-N 2 2 321.534 3.922 20 0 DHADLP CC[C@@]1(C)CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000346166438 335384499 /nfs/dbraw/zinc/38/44/99/335384499.db2.gz JCVWANGRUWATRU-SFHVURJKSA-N 2 2 321.534 3.922 20 0 DHADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000349202171 335641606 /nfs/dbraw/zinc/64/16/06/335641606.db2.gz NPOBGJSGKIZILE-UWWQBHOKSA-N 2 2 304.503 3.570 20 0 DHADLP c1c2ccccc2oc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535575733 335654291 /nfs/dbraw/zinc/65/42/91/335654291.db2.gz JUHKZLAEGWJSMX-UHFFFAOYSA-N 2 2 307.397 3.904 20 0 DHADLP COC1CCC(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000350218129 335736888 /nfs/dbraw/zinc/73/68/88/335736888.db2.gz CTTIVDTYPWJMMM-UHFFFAOYSA-N 2 2 313.445 3.557 20 0 DHADLP CC(C)CCC[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000527360926 335842469 /nfs/dbraw/zinc/84/24/69/335842469.db2.gz YIXBCISZHHTKPS-SFHVURJKSA-N 2 2 318.505 3.912 20 0 DHADLP CC[C@@H]([NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)C(C)C ZINC000532203232 335915703 /nfs/dbraw/zinc/91/57/03/335915703.db2.gz HINNYYYTZHHAIU-RTBURBONSA-N 2 2 304.478 3.856 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(O)c1 ZINC000192035746 336016788 /nfs/dbraw/zinc/01/67/88/336016788.db2.gz CRDZFALLADOSAZ-QGZVFWFLSA-N 2 2 324.468 3.750 20 0 DHADLP Cc1cc(Cl)ccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351562439 336043689 /nfs/dbraw/zinc/04/36/89/336043689.db2.gz BSJWMLYFYBATOA-UHFFFAOYSA-N 2 2 312.804 3.900 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c[nH+]1 ZINC000351905837 336122350 /nfs/dbraw/zinc/12/23/50/336122350.db2.gz JKRPNTNQUZCLRA-OALUTQOASA-N 2 2 303.409 3.766 20 0 DHADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000194336217 338515179 /nfs/dbraw/zinc/51/51/79/338515179.db2.gz IDYKYDDOKHYBGB-QGZVFWFLSA-N 2 2 305.425 3.693 20 0 DHADLP C[C@@H]([NH2+]CCCOc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000324378829 336201979 /nfs/dbraw/zinc/20/19/79/336201979.db2.gz VWPCRWUXHXKXFI-QGZVFWFLSA-N 2 2 321.424 3.992 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000352533931 336223037 /nfs/dbraw/zinc/22/30/37/336223037.db2.gz BFEFWALDBYLECH-OAHLLOKOSA-N 2 2 301.459 3.513 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000352533931 336223038 /nfs/dbraw/zinc/22/30/38/336223038.db2.gz BFEFWALDBYLECH-OAHLLOKOSA-N 2 2 301.459 3.513 20 0 DHADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352685945 336230350 /nfs/dbraw/zinc/23/03/50/336230350.db2.gz WODCIJQKHINUNS-AFAVFJNCSA-N 2 2 302.462 3.674 20 0 DHADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352685945 336230351 /nfs/dbraw/zinc/23/03/51/336230351.db2.gz WODCIJQKHINUNS-AFAVFJNCSA-N 2 2 302.462 3.674 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@]2(C)CCCc3ccccc32)s1 ZINC000352762339 336233578 /nfs/dbraw/zinc/23/35/78/336233578.db2.gz FJUZNLABEGCEEX-GOSISDBHSA-N 2 2 315.486 3.546 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc3ccccc3c2)s1 ZINC000352778354 336235991 /nfs/dbraw/zinc/23/59/91/336235991.db2.gz GXBUQKHAUSRNIA-UHFFFAOYSA-N 2 2 311.454 3.648 20 0 DHADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC000352789735 336236909 /nfs/dbraw/zinc/23/69/09/336236909.db2.gz PCYLXIUNSSSDIL-KRWDZBQOSA-N 2 2 310.376 3.647 20 0 DHADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1F ZINC000352806846 336242708 /nfs/dbraw/zinc/24/27/08/336242708.db2.gz AHNUWSBKQPGZEO-IGNZVWTISA-N 2 2 308.416 3.878 20 0 DHADLP CCC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)cc1F ZINC000352806846 336242709 /nfs/dbraw/zinc/24/27/09/336242709.db2.gz AHNUWSBKQPGZEO-IGNZVWTISA-N 2 2 308.416 3.878 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3c1cccc3Cl)CCC2 ZINC000532537106 336255188 /nfs/dbraw/zinc/25/51/88/336255188.db2.gz XXVCWVQSWBISJO-SUMWQHHRSA-N 2 2 315.848 3.999 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000352829121 336267174 /nfs/dbraw/zinc/26/71/74/336267174.db2.gz PTPOHVJOYSOJKO-JLSDUUJJSA-N 2 2 312.457 3.505 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000352829121 336267175 /nfs/dbraw/zinc/26/71/75/336267175.db2.gz PTPOHVJOYSOJKO-JLSDUUJJSA-N 2 2 312.457 3.505 20 0 DHADLP CSc1ccccc1[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352852456 336279909 /nfs/dbraw/zinc/27/99/09/336279909.db2.gz GWJCWDIAZHTQSC-LBPRGKRZSA-N 2 2 321.515 3.777 20 0 DHADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(O)c1 ZINC000192909497 336284132 /nfs/dbraw/zinc/28/41/32/336284132.db2.gz KZGMLGRAJNETQM-OXJNMPFZSA-N 2 2 310.441 3.880 20 0 DHADLP CC1CC[NH+](CCC[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000192936717 336285299 /nfs/dbraw/zinc/28/52/99/336285299.db2.gz CQDICYWNCKYBHS-NRFANRHFSA-N 2 2 323.484 3.883 20 0 DHADLP Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC000301057858 336287662 /nfs/dbraw/zinc/28/76/62/336287662.db2.gz ITRTWHSZYKQRPD-HNNXBMFYSA-N 2 2 314.433 3.750 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(O)c1 ZINC000193049299 336291588 /nfs/dbraw/zinc/29/15/88/336291588.db2.gz CRDZFALLADOSAZ-KRWDZBQOSA-N 2 2 324.468 3.750 20 0 DHADLP Fc1ccc2c(NCc3cc[nH+]c(N4CCCC4)c3)cc[nH+]c2c1 ZINC000301239523 336296245 /nfs/dbraw/zinc/29/62/45/336296245.db2.gz FQMGKQMQGZFSBM-UHFFFAOYSA-N 2 2 322.387 3.981 20 0 DHADLP Cc1cc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nc[nH+]1 ZINC000301267732 336297726 /nfs/dbraw/zinc/29/77/26/336297726.db2.gz UPHLAWIGRVIWMW-INIZCTEOSA-N 2 2 310.445 3.772 20 0 DHADLP Cc1cc(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nc[nH+]1 ZINC000301267732 336297727 /nfs/dbraw/zinc/29/77/27/336297727.db2.gz UPHLAWIGRVIWMW-INIZCTEOSA-N 2 2 310.445 3.772 20 0 DHADLP Fc1ccc(C[NH+]2CCC(Nc3cc[nH+]cc3Cl)CC2)cc1 ZINC000301532728 336312975 /nfs/dbraw/zinc/31/29/75/336312975.db2.gz SJCFTAFAHPQOBZ-UHFFFAOYSA-N 2 2 319.811 3.951 20 0 DHADLP CC1CC[NH+](CCCNc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000301601092 336317627 /nfs/dbraw/zinc/31/76/27/336317627.db2.gz VGYIOZRQGIBJFQ-UHFFFAOYSA-N 2 2 301.356 3.634 20 0 DHADLP CC[NH+](CC)[C@H]1CCN(c2cc(C)[nH+]c3c(F)cccc23)C1 ZINC000301650403 336320751 /nfs/dbraw/zinc/32/07/51/336320751.db2.gz GBUVAFQVJFKHFB-AWEZNQCLSA-N 2 2 301.409 3.603 20 0 DHADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC000301665923 336321859 /nfs/dbraw/zinc/32/18/59/336321859.db2.gz CDHOVYMJJSAQHD-LIRRHRJNSA-N 2 2 324.472 3.724 20 0 DHADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC000301665923 336321860 /nfs/dbraw/zinc/32/18/60/336321860.db2.gz CDHOVYMJJSAQHD-LIRRHRJNSA-N 2 2 324.472 3.724 20 0 DHADLP C[C@H]1C[NH+](CCCCNc2ccc3ccccc3[nH+]2)C[C@H](C)O1 ZINC000301735333 336326492 /nfs/dbraw/zinc/32/64/92/336326492.db2.gz UUXFVPGWTQHGBU-HOTGVXAUSA-N 2 2 313.445 3.536 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000301787733 336329802 /nfs/dbraw/zinc/32/98/02/336329802.db2.gz PLBJCJZKQCXBSZ-YLJYHZDGSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000301787733 336329803 /nfs/dbraw/zinc/32/98/03/336329803.db2.gz PLBJCJZKQCXBSZ-YLJYHZDGSA-N 2 2 321.468 3.996 20 0 DHADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301824607 336332508 /nfs/dbraw/zinc/33/25/08/336332508.db2.gz DDNAYZSZCGFPMP-SJLPKXTDSA-N 2 2 310.445 3.766 20 0 DHADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301824607 336332509 /nfs/dbraw/zinc/33/25/09/336332509.db2.gz DDNAYZSZCGFPMP-SJLPKXTDSA-N 2 2 310.445 3.766 20 0 DHADLP CC(C)c1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)nc(C(C)C)[nH+]1 ZINC000301868783 336335318 /nfs/dbraw/zinc/33/53/18/336335318.db2.gz JBJSBZNDJJFJGU-GOEBONIOSA-N 2 2 302.466 3.762 20 0 DHADLP CC(C)c1cc(N[C@H]2CC[N@H+]3CCCC[C@H]23)nc(C(C)C)[nH+]1 ZINC000301868783 336335319 /nfs/dbraw/zinc/33/53/19/336335319.db2.gz JBJSBZNDJJFJGU-GOEBONIOSA-N 2 2 302.466 3.762 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1cc[nH+]cc1Cl ZINC000301929277 336338534 /nfs/dbraw/zinc/33/85/34/336338534.db2.gz ZXDDZJLSKNIDJB-HNNXBMFYSA-N 2 2 315.848 3.836 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cc[nH+]cc1Cl ZINC000301929277 336338535 /nfs/dbraw/zinc/33/85/35/336338535.db2.gz ZXDDZJLSKNIDJB-HNNXBMFYSA-N 2 2 315.848 3.836 20 0 DHADLP CC(C)c1nc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc[nH+]1 ZINC000302050083 336345471 /nfs/dbraw/zinc/34/54/71/336345471.db2.gz NJZRRUOUMMSBPW-GJZGRUSLSA-N 2 2 302.466 3.665 20 0 DHADLP CC(C)c1nc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc[nH+]1 ZINC000302050083 336345472 /nfs/dbraw/zinc/34/54/72/336345472.db2.gz NJZRRUOUMMSBPW-GJZGRUSLSA-N 2 2 302.466 3.665 20 0 DHADLP Cc1cc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C(C)C)[nH+]1 ZINC000302048869 336345513 /nfs/dbraw/zinc/34/55/13/336345513.db2.gz MLLIXMUBBQNCDP-HZPDHXFCSA-N 2 2 316.493 3.973 20 0 DHADLP Cc1cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C(C)C)[nH+]1 ZINC000302048869 336345514 /nfs/dbraw/zinc/34/55/14/336345514.db2.gz MLLIXMUBBQNCDP-HZPDHXFCSA-N 2 2 316.493 3.973 20 0 DHADLP CC(C)c1nc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc[nH+]1 ZINC000302050085 336345526 /nfs/dbraw/zinc/34/55/26/336345526.db2.gz NJZRRUOUMMSBPW-LSDHHAIUSA-N 2 2 302.466 3.665 20 0 DHADLP CC(C)c1nc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc[nH+]1 ZINC000302050085 336345527 /nfs/dbraw/zinc/34/55/27/336345527.db2.gz NJZRRUOUMMSBPW-LSDHHAIUSA-N 2 2 302.466 3.665 20 0 DHADLP Cc1[nH+]c2ccccc2c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000302065271 336346531 /nfs/dbraw/zinc/34/65/31/336346531.db2.gz DUYHZDDFUFEUSW-QGZVFWFLSA-N 2 2 319.408 3.904 20 0 DHADLP Cc1cc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc[nH+]1 ZINC000302569756 336361860 /nfs/dbraw/zinc/36/18/60/336361860.db2.gz PAVXBIHARHIJJO-UHFFFAOYSA-N 2 2 310.445 3.537 20 0 DHADLP Cc1cc(NC2CCN(c3ccc([NH+](C)C)cc3)CC2)cc[nH+]1 ZINC000302569756 336361861 /nfs/dbraw/zinc/36/18/61/336361861.db2.gz PAVXBIHARHIJJO-UHFFFAOYSA-N 2 2 310.445 3.537 20 0 DHADLP COc1cccc2c(NCCCCn3cc[nH+]c3C)c(C)c[nH+]c12 ZINC000302654994 336363687 /nfs/dbraw/zinc/36/36/87/336363687.db2.gz NUMDPOGMUBXQFJ-UHFFFAOYSA-N 2 2 324.428 3.949 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000352973885 336380705 /nfs/dbraw/zinc/38/07/05/336380705.db2.gz DNMDELHPKBGYCZ-FQEVSTJZSA-N 2 2 303.409 3.707 20 0 DHADLP c1cn(CCC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c[nH+]1 ZINC000193111329 336399845 /nfs/dbraw/zinc/39/98/45/336399845.db2.gz AXJDQQKJMZVNJY-FQEVSTJZSA-N 2 2 305.425 3.847 20 0 DHADLP FCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000353399813 336415416 /nfs/dbraw/zinc/41/54/16/336415416.db2.gz DJXKJBJKTFQJOV-ROUUACIJSA-N 2 2 301.409 3.549 20 0 DHADLP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(C)c1 ZINC000353457378 336418844 /nfs/dbraw/zinc/41/88/44/336418844.db2.gz YQGPTIMSCSEIOA-LNLFQRSKSA-N 2 2 304.478 3.535 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000353933596 336449692 /nfs/dbraw/zinc/44/96/92/336449692.db2.gz QAPWQLVBKXSVJQ-OAQYLSRUSA-N 2 2 323.484 3.749 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)c[nH+]1 ZINC000354183020 336462634 /nfs/dbraw/zinc/46/26/34/336462634.db2.gz WAIWGZBGEKOKIA-WOJBJXKFSA-N 2 2 310.441 3.833 20 0 DHADLP Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000354280112 336465426 /nfs/dbraw/zinc/46/54/26/336465426.db2.gz DPXWXUORQQRNMM-AZUAARDMSA-N 2 2 321.424 3.653 20 0 DHADLP CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354579138 336475697 /nfs/dbraw/zinc/47/56/97/336475697.db2.gz ZZUMBYYSFWHXDZ-DNVCBOLYSA-N 2 2 316.420 3.828 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccnc2)c(C)c1 ZINC000358348719 336625460 /nfs/dbraw/zinc/62/54/60/336625460.db2.gz WDCFSKXXTGPBKI-PXNSSMCTSA-N 2 2 320.440 3.987 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCCSCC[NH+](C)C ZINC000359161260 336660831 /nfs/dbraw/zinc/66/08/31/336660831.db2.gz MBHYXHQOJVKMTJ-UHFFFAOYSA-N 2 2 305.491 3.810 20 0 DHADLP Clc1sccc1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000359749996 336686378 /nfs/dbraw/zinc/68/63/78/336686378.db2.gz SILJNBNNYFIQKB-UHFFFAOYSA-N 2 2 303.818 3.877 20 0 DHADLP COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c2ccccc12 ZINC000360040637 336698781 /nfs/dbraw/zinc/69/87/81/336698781.db2.gz VEXSNLLPCSFIJJ-HUUCEWRRSA-N 2 2 309.413 3.784 20 0 DHADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360433655 336711591 /nfs/dbraw/zinc/71/15/91/336711591.db2.gz MSLVATQBGSUPHA-NRFANRHFSA-N 2 2 321.468 3.632 20 0 DHADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000361093670 336738292 /nfs/dbraw/zinc/73/82/92/336738292.db2.gz BQMUCFKASUHARE-GHTZIAJQSA-N 2 2 324.468 3.532 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@](C)(CO)C(C)C ZINC000361395702 336755200 /nfs/dbraw/zinc/75/52/00/336755200.db2.gz PUNCSJXLJMWWMR-LJQANCHMSA-N 2 2 317.477 3.512 20 0 DHADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)cc1F ZINC000361931786 336778776 /nfs/dbraw/zinc/77/87/76/336778776.db2.gz YVGXWTHDAJCBOY-INIZCTEOSA-N 2 2 305.372 3.903 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)c2ccccc21 ZINC000361973141 336780636 /nfs/dbraw/zinc/78/06/36/336780636.db2.gz WGDUXHHWGPMEBZ-ZTFGCOKTSA-N 2 2 304.503 3.652 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000367392341 336784907 /nfs/dbraw/zinc/78/49/07/336784907.db2.gz OSQAIJPBEKYEPR-RDTXWAMCSA-N 2 2 320.440 3.655 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000369881020 336873499 /nfs/dbraw/zinc/87/34/99/336873499.db2.gz DLUCKPNFHBCPTN-UKRRQHHQSA-N 2 2 301.459 3.579 20 0 DHADLP c1[nH]cc(C2CC[NH+](CCSCc3ccccc3)CC2)[nH+]1 ZINC000370039504 336876284 /nfs/dbraw/zinc/87/62/84/336876284.db2.gz BUMXOEKCAMBMBC-UHFFFAOYSA-N 2 2 301.459 3.523 20 0 DHADLP CC(C)OCCCC[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000373278620 336955075 /nfs/dbraw/zinc/95/50/75/336955075.db2.gz ASDMFZQCFXMENI-UHFFFAOYSA-N 2 2 322.468 3.585 20 0 DHADLP Cc1ccc(C(=O)CC[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000373448290 336960834 /nfs/dbraw/zinc/96/08/34/336960834.db2.gz KQAKKQPOIMOTIL-UHFFFAOYSA-N 2 2 314.473 3.564 20 0 DHADLP CC[C@H](C)[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373482333 336961850 /nfs/dbraw/zinc/96/18/50/336961850.db2.gz GNAOKCYDESKWMM-XOEAPDPESA-N 2 2 306.416 3.816 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(C)(C)C ZINC000373521605 336963639 /nfs/dbraw/zinc/96/36/39/336963639.db2.gz PACWCVMAVADKJG-LMWSTFAQSA-N 2 2 306.416 3.816 20 0 DHADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000374578280 336992886 /nfs/dbraw/zinc/99/28/86/336992886.db2.gz VFKVUODAPMSXHJ-MOPGFXCFSA-N 2 2 311.473 3.988 20 0 DHADLP Fc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000375265783 337006798 /nfs/dbraw/zinc/00/67/98/337006798.db2.gz CCXOIJZZUQAARM-QZTJIDSGSA-N 2 2 313.420 3.784 20 0 DHADLP C[C@@H]1CCC[C@H](CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000122415122 337008123 /nfs/dbraw/zinc/00/81/23/337008123.db2.gz AJHKMGRTOPSHIV-QZTJIDSGSA-N 2 2 315.505 3.852 20 0 DHADLP Fc1cccc(F)c1C[N@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000122648455 337017455 /nfs/dbraw/zinc/01/74/55/337017455.db2.gz SAZNORDIQZUYTN-UHFFFAOYSA-N 2 2 305.372 3.606 20 0 DHADLP Fc1cccc(F)c1C[N@@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000122648455 337017456 /nfs/dbraw/zinc/01/74/56/337017456.db2.gz SAZNORDIQZUYTN-UHFFFAOYSA-N 2 2 305.372 3.606 20 0 DHADLP CC(C)n1nccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000376571795 337036974 /nfs/dbraw/zinc/03/69/74/337036974.db2.gz QSXVIFFXFLPYRO-GOSISDBHSA-N 2 2 318.509 3.552 20 0 DHADLP CC(C)n1nccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000376571795 337036975 /nfs/dbraw/zinc/03/69/75/337036975.db2.gz QSXVIFFXFLPYRO-GOSISDBHSA-N 2 2 318.509 3.552 20 0 DHADLP CC(C)n1c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)nc2ccccc21 ZINC000377232857 337048932 /nfs/dbraw/zinc/04/89/32/337048932.db2.gz QEFCWHGQBZWFKN-UHFFFAOYSA-N 2 2 323.444 3.720 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)C1CCCC1 ZINC000377347334 337050915 /nfs/dbraw/zinc/05/09/15/337050915.db2.gz SYAXWXCOVCWZJB-SFHVURJKSA-N 2 2 322.518 3.507 20 0 DHADLP C[C@H]1CSC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000377403420 337051943 /nfs/dbraw/zinc/05/19/43/337051943.db2.gz SSUQTRUECYNECE-GUYCJALGSA-N 2 2 324.921 3.646 20 0 DHADLP c1ccc(C[N@@H+]2C[C@H]([NH2+]C3CCSCC3)C[C@H]2C2CC2)cc1 ZINC000377404934 337052135 /nfs/dbraw/zinc/05/21/35/337052135.db2.gz XASAUGVXDKNPJX-MOPGFXCFSA-N 2 2 316.514 3.525 20 0 DHADLP c1ccc(C[N@H+]2C[C@H]([NH2+]C3CCSCC3)C[C@H]2C2CC2)cc1 ZINC000377404934 337052136 /nfs/dbraw/zinc/05/21/36/337052136.db2.gz XASAUGVXDKNPJX-MOPGFXCFSA-N 2 2 316.514 3.525 20 0 DHADLP CSC1(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccc(Cl)c2)CC1 ZINC000377652356 337057453 /nfs/dbraw/zinc/05/74/53/337057453.db2.gz QAVXNNGQKLSRPF-HOCLYGCPSA-N 2 2 324.921 3.818 20 0 DHADLP CSC1(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccc(Cl)c2)CC1 ZINC000377652356 337057454 /nfs/dbraw/zinc/05/74/54/337057454.db2.gz QAVXNNGQKLSRPF-HOCLYGCPSA-N 2 2 324.921 3.818 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC000377711515 337059335 /nfs/dbraw/zinc/05/93/35/337059335.db2.gz ZBZRKAXLDHSSDO-KRWDZBQOSA-N 2 2 315.465 3.621 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC000377711515 337059336 /nfs/dbraw/zinc/05/93/36/337059336.db2.gz ZBZRKAXLDHSSDO-KRWDZBQOSA-N 2 2 315.465 3.621 20 0 DHADLP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377735698 337059832 /nfs/dbraw/zinc/05/98/32/337059832.db2.gz CIOSLIHDDUVQGF-STQMWFEESA-N 2 2 301.459 3.730 20 0 DHADLP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377735698 337059833 /nfs/dbraw/zinc/05/98/33/337059833.db2.gz CIOSLIHDDUVQGF-STQMWFEESA-N 2 2 301.459 3.730 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000377888241 337063421 /nfs/dbraw/zinc/06/34/21/337063421.db2.gz IXSPCQVSRDSIBW-GFCCVEGCSA-N 2 2 310.228 3.716 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000377888241 337063422 /nfs/dbraw/zinc/06/34/22/337063422.db2.gz IXSPCQVSRDSIBW-GFCCVEGCSA-N 2 2 310.228 3.716 20 0 DHADLP Cc1csc(C2([NH2+]C3CC[NH+](C4CCCC4)CC3)CCC2)n1 ZINC000378469069 337073642 /nfs/dbraw/zinc/07/36/42/337073642.db2.gz AWLYZUYCBHENIJ-UHFFFAOYSA-N 2 2 319.518 3.827 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1F ZINC000378489554 337074268 /nfs/dbraw/zinc/07/42/68/337074268.db2.gz CSQBYPXQGSIFSW-QGZVFWFLSA-N 2 2 310.376 3.647 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3cc(Cl)ccc31)CCC2 ZINC000360078700 337085202 /nfs/dbraw/zinc/08/52/02/337085202.db2.gz KBGUENGNIYEYJL-WMLDXEAASA-N 2 2 315.848 3.999 20 0 DHADLP Cc1nc2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2s1 ZINC000582546160 337103178 /nfs/dbraw/zinc/10/31/78/337103178.db2.gz CUDTYRWGXUFKCS-WBVHZDCISA-N 2 2 315.486 3.711 20 0 DHADLP Cc1nc2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2s1 ZINC000582546160 337103179 /nfs/dbraw/zinc/10/31/79/337103179.db2.gz CUDTYRWGXUFKCS-WBVHZDCISA-N 2 2 315.486 3.711 20 0 DHADLP COc1cccc(Cl)c1C[NH2+]CCCc1c[nH+]ccc1C ZINC000582751781 337133547 /nfs/dbraw/zinc/13/35/47/337133547.db2.gz HVABDXYTRWTCOP-UHFFFAOYSA-N 2 2 304.821 3.774 20 0 DHADLP Cc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000582761983 337137931 /nfs/dbraw/zinc/13/79/31/337137931.db2.gz COGRIHATPHNAAK-INIZCTEOSA-N 2 2 313.445 3.566 20 0 DHADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000582761983 337137932 /nfs/dbraw/zinc/13/79/32/337137932.db2.gz COGRIHATPHNAAK-INIZCTEOSA-N 2 2 313.445 3.566 20 0 DHADLP CC(C)[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177240292 337155000 /nfs/dbraw/zinc/15/50/00/337155000.db2.gz NFPANCJOGIDCKU-UHFFFAOYSA-N 2 2 306.413 3.678 20 0 DHADLP CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177240292 337155001 /nfs/dbraw/zinc/15/50/01/337155001.db2.gz NFPANCJOGIDCKU-UHFFFAOYSA-N 2 2 306.413 3.678 20 0 DHADLP CC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1F ZINC000180086492 337173488 /nfs/dbraw/zinc/17/34/88/337173488.db2.gz QAMBYLQSRJZECE-KRWDZBQOSA-N 2 2 310.376 3.647 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000180405711 337174175 /nfs/dbraw/zinc/17/41/75/337174175.db2.gz NBFIVQAOFHKDLE-KRWDZBQOSA-N 2 2 320.452 3.890 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000181184042 337182123 /nfs/dbraw/zinc/18/21/23/337182123.db2.gz MNMJLTCYMWCYFD-YCPHGPKFSA-N 2 2 310.401 3.668 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000181184042 337182124 /nfs/dbraw/zinc/18/21/24/337182124.db2.gz MNMJLTCYMWCYFD-YCPHGPKFSA-N 2 2 310.401 3.668 20 0 DHADLP CC[NH+](CC)CCCC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000181832281 337184772 /nfs/dbraw/zinc/18/47/72/337184772.db2.gz ZPXAMWZQMUMURB-UHFFFAOYSA-N 2 2 316.493 3.692 20 0 DHADLP C(=C/[C@H]1CCCCC[N@H+]1CCn1cc[nH+]c1)\c1cccs1 ZINC000181952805 337185391 /nfs/dbraw/zinc/18/53/91/337185391.db2.gz JBUWLHXAVDOFQE-KXPUMZMLSA-N 2 2 301.459 3.903 20 0 DHADLP C(=C/[C@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1)\c1cccs1 ZINC000181952805 337185392 /nfs/dbraw/zinc/18/53/92/337185392.db2.gz JBUWLHXAVDOFQE-KXPUMZMLSA-N 2 2 301.459 3.903 20 0 DHADLP C[C@@H](c1ccsc1)[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000185485191 337205766 /nfs/dbraw/zinc/20/57/66/337205766.db2.gz GNTJAQQLOAJXOV-ZDUSSCGKSA-N 2 2 312.442 3.508 20 0 DHADLP c1cn(-c2ccc(C[NH2+]C3(Cc4ccccc4)CC3)cc2)c[nH+]1 ZINC000187493589 337266298 /nfs/dbraw/zinc/26/62/98/337266298.db2.gz JVTHEXPUXXEROX-UHFFFAOYSA-N 2 2 303.409 3.737 20 0 DHADLP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000188028885 337270196 /nfs/dbraw/zinc/27/01/96/337270196.db2.gz RPSUWWOUPDJPPC-WMZOPIPTSA-N 2 2 301.478 3.604 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2nccnc2C)cc1 ZINC000188126700 337270985 /nfs/dbraw/zinc/27/09/85/337270985.db2.gz XJHYFAPAGCGIPR-UKRRQHHQSA-N 2 2 321.428 3.691 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@H]3CC[N@@H+](C4CC4)C3)ccc2c1 ZINC000321632017 337279876 /nfs/dbraw/zinc/27/98/76/337279876.db2.gz VTWOPNYEEGISJG-KDOFPFPSSA-N 2 2 310.441 3.736 20 0 DHADLP COc1ccc2cc([C@@H](C)[NH2+][C@H]3CC[N@H+](C4CC4)C3)ccc2c1 ZINC000321632017 337279877 /nfs/dbraw/zinc/27/98/77/337279877.db2.gz VTWOPNYEEGISJG-KDOFPFPSSA-N 2 2 310.441 3.736 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290381 337307352 /nfs/dbraw/zinc/30/73/52/337307352.db2.gz UDZHZPZCPDVQAM-YOEHRIQHSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290381 337307353 /nfs/dbraw/zinc/30/73/53/337307353.db2.gz UDZHZPZCPDVQAM-YOEHRIQHSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290381 337307354 /nfs/dbraw/zinc/30/73/54/337307354.db2.gz UDZHZPZCPDVQAM-YOEHRIQHSA-N 2 2 315.486 3.582 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000583290381 337307355 /nfs/dbraw/zinc/30/73/55/337307355.db2.gz UDZHZPZCPDVQAM-YOEHRIQHSA-N 2 2 315.486 3.582 20 0 DHADLP Cc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000192952345 337308554 /nfs/dbraw/zinc/30/85/54/337308554.db2.gz CRFDLPVCYWKPAQ-KRWDZBQOSA-N 2 2 322.456 3.596 20 0 DHADLP Cc1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000192952345 337308555 /nfs/dbraw/zinc/30/85/55/337308555.db2.gz CRFDLPVCYWKPAQ-KRWDZBQOSA-N 2 2 322.456 3.596 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)[C@H]1c1ccccc1 ZINC000584438569 337325156 /nfs/dbraw/zinc/32/51/56/337325156.db2.gz DSVFEQFYPXGPPR-RBUKOAKNSA-N 2 2 314.860 3.918 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Cl)[C@H]1c1ccccc1 ZINC000584438569 337325157 /nfs/dbraw/zinc/32/51/57/337325157.db2.gz DSVFEQFYPXGPPR-RBUKOAKNSA-N 2 2 314.860 3.918 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2Cl)[C@H]1c1ccccc1 ZINC000584438570 337325164 /nfs/dbraw/zinc/32/51/64/337325164.db2.gz DSVFEQFYPXGPPR-RTBURBONSA-N 2 2 314.860 3.918 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2Cl)[C@H]1c1ccccc1 ZINC000584438570 337325165 /nfs/dbraw/zinc/32/51/65/337325165.db2.gz DSVFEQFYPXGPPR-RTBURBONSA-N 2 2 314.860 3.918 20 0 DHADLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000584497191 337350287 /nfs/dbraw/zinc/35/02/87/337350287.db2.gz MYIYTMXUZLFUGU-HNNXBMFYSA-N 2 2 318.486 3.644 20 0 DHADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2)s1 ZINC000584497191 337350288 /nfs/dbraw/zinc/35/02/88/337350288.db2.gz MYIYTMXUZLFUGU-HNNXBMFYSA-N 2 2 318.486 3.644 20 0 DHADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000583872548 337365198 /nfs/dbraw/zinc/36/51/98/337365198.db2.gz REEQHEWMTNOJAG-LBPRGKRZSA-N 2 2 321.877 3.634 20 0 DHADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000583872548 337365199 /nfs/dbraw/zinc/36/51/99/337365199.db2.gz REEQHEWMTNOJAG-LBPRGKRZSA-N 2 2 321.877 3.634 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)C2 ZINC000112540115 337390610 /nfs/dbraw/zinc/39/06/10/337390610.db2.gz WVGKKJMYGMYPEF-DOMZBBRYSA-N 2 2 323.362 3.876 20 0 DHADLP CC1(C)[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC000122899961 337397450 /nfs/dbraw/zinc/39/74/50/337397450.db2.gz NGYKXBLMYHDNFK-RBUKOAKNSA-N 2 2 323.484 3.934 20 0 DHADLP CC1(C)[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C[C@@H]1c1ccccc1 ZINC000122900149 337397460 /nfs/dbraw/zinc/39/74/60/337397460.db2.gz NGYKXBLMYHDNFK-RTBURBONSA-N 2 2 323.484 3.934 20 0 DHADLP CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000127909518 337423071 /nfs/dbraw/zinc/42/30/71/337423071.db2.gz DNMXMWCRCJZRLU-QFBILLFUSA-N 2 2 301.478 3.604 20 0 DHADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000246086062 337510021 /nfs/dbraw/zinc/51/00/21/337510021.db2.gz IGCOYWAZANHYEP-YVWKXTFCSA-N 2 2 315.505 3.850 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@@H]2CCc3cccnc3CC2)[NH+](C)C)cc1 ZINC000421822955 337645934 /nfs/dbraw/zinc/64/59/34/337645934.db2.gz BTOXBWRBXXOJGM-TZIWHRDSSA-N 2 2 323.484 3.530 20 0 DHADLP COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)s2)cc1 ZINC000422825571 337688213 /nfs/dbraw/zinc/68/82/13/337688213.db2.gz PZXSSHNLZIKLRG-GUYCJALGSA-N 2 2 316.470 3.654 20 0 DHADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422909412 337690996 /nfs/dbraw/zinc/69/09/96/337690996.db2.gz FVDFVWRHPOVYSL-XCRHUMRWSA-N 2 2 320.440 3.852 20 0 DHADLP CC(C)CCOc1ccccc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422934785 337692159 /nfs/dbraw/zinc/69/21/59/337692159.db2.gz JYPNQTHMZMHMPB-HNNXBMFYSA-N 2 2 313.445 3.770 20 0 DHADLP Cc1csc(C2([NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CCC2)n1 ZINC000422934867 337692218 /nfs/dbraw/zinc/69/22/18/337692218.db2.gz GNEBZWICNNNDIW-ZFWWWQNUSA-N 2 2 307.507 3.731 20 0 DHADLP Cc1cccc(COc2ccc([C@H](C)[NH2+][C@@H]3CC[NH2+]C3)cc2)c1 ZINC000422960123 337694964 /nfs/dbraw/zinc/69/49/64/337694964.db2.gz VFFXYJLZNLMZOP-QFBILLFUSA-N 2 2 310.441 3.587 20 0 DHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000422967030 337695232 /nfs/dbraw/zinc/69/52/32/337695232.db2.gz SBMJCFAOTBQCFA-QRWLVFNGSA-N 2 2 321.424 3.882 20 0 DHADLP C[C@@H]([NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1)C1C[NH2+]C1 ZINC000423071171 337698351 /nfs/dbraw/zinc/69/83/51/337698351.db2.gz HICMSERSZMBCOK-SECBINFHSA-N 2 2 318.770 3.545 20 0 DHADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423091479 337698991 /nfs/dbraw/zinc/69/89/91/337698991.db2.gz XEIOYJAUSQNRFX-CFVMTHIKSA-N 2 2 300.368 3.719 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)C2CCSCC2)cc1 ZINC000423238255 337706464 /nfs/dbraw/zinc/70/64/64/337706464.db2.gz IVTCHZFTVLXGSW-KDOFPFPSSA-N 2 2 306.519 3.931 20 0 DHADLP CCC[NH2+]CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000423307942 337711333 /nfs/dbraw/zinc/71/13/33/337711333.db2.gz IHQYYXVINDVNBL-HNNXBMFYSA-N 2 2 300.368 3.746 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(Oc2ccccc2)cn1 ZINC000423367430 337714944 /nfs/dbraw/zinc/71/49/44/337714944.db2.gz ALKLXFPXLKWQTJ-PMPSAXMXSA-N 2 2 311.429 3.665 20 0 DHADLP C[C@@H]([NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1)C1CCSCC1 ZINC000423405818 337716028 /nfs/dbraw/zinc/71/60/28/337716028.db2.gz TZGJMFTYBHZCAH-KUHUBIRLSA-N 2 2 314.498 3.961 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1csc(-c2ccccc2)n1 ZINC000423390067 337718270 /nfs/dbraw/zinc/71/82/70/337718270.db2.gz VQXDBMQRGSDSRT-UMVBOHGHSA-N 2 2 301.459 3.601 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc2c(ccc3ccccc23)o1 ZINC000423492753 337722721 /nfs/dbraw/zinc/72/27/21/337722721.db2.gz ONFDQJGWEBMFEK-ZBFHGGJFSA-N 2 2 324.424 3.615 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cnc2ccsc2c1 ZINC000423534792 337724885 /nfs/dbraw/zinc/72/48/85/337724885.db2.gz WSASOJIRQFDKFP-RPVQJOFSSA-N 2 2 323.465 3.703 20 0 DHADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CCCC[NH2+]C3)oc21 ZINC000423545812 337725297 /nfs/dbraw/zinc/72/52/97/337725297.db2.gz DSZSMFBXWKLYEL-HIFRSBDPSA-N 2 2 302.418 3.624 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@H]3CCCC[NH2+]C3)c(C)c2c1 ZINC000423565590 337725557 /nfs/dbraw/zinc/72/55/57/337725557.db2.gz SOSIYGFLBJLFSF-KBPBESRZSA-N 2 2 302.418 3.543 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1csc(-c2ccccc2F)n1 ZINC000424373672 337827919 /nfs/dbraw/zinc/82/79/19/337827919.db2.gz KAEYFTVFVACGCK-NILFDRSVSA-N 2 2 319.449 3.870 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1csc(-c2ccccc2)n1 ZINC000424378146 337828782 /nfs/dbraw/zinc/82/87/82/337828782.db2.gz SHNNQZZUXLJNFE-BPLDGKMQSA-N 2 2 301.459 3.731 20 0 DHADLP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000091264111 337890777 /nfs/dbraw/zinc/89/07/77/337890777.db2.gz ZALYLEHKAFKDLJ-OAHLLOKOSA-N 2 2 311.351 3.889 20 0 DHADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1nc2ccccc2n1C)C(C)C ZINC000091350245 337891869 /nfs/dbraw/zinc/89/18/69/337891869.db2.gz PLWMORPVZNWEQC-MRXNPFEDSA-N 2 2 316.493 3.733 20 0 DHADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1nc2c(s1)CCCC2 ZINC000093370483 337915786 /nfs/dbraw/zinc/91/57/86/337915786.db2.gz OJNICMANKNCJKN-CQSZACIVSA-N 2 2 307.507 3.549 20 0 DHADLP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000445456321 338017466 /nfs/dbraw/zinc/01/74/66/338017466.db2.gz IMTOZSVLWNVXEP-SJORKVTESA-N 2 2 323.484 3.925 20 0 DHADLP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000445456321 338017467 /nfs/dbraw/zinc/01/74/67/338017467.db2.gz IMTOZSVLWNVXEP-SJORKVTESA-N 2 2 323.484 3.925 20 0 DHADLP CCc1nc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)o1 ZINC000426337144 338027714 /nfs/dbraw/zinc/02/77/14/338027714.db2.gz YVMIWTRSNTWZQX-WMLDXEAASA-N 2 2 319.493 3.678 20 0 DHADLP CCc1nc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000426337142 338027736 /nfs/dbraw/zinc/02/77/36/338027736.db2.gz YVMIWTRSNTWZQX-PBHICJAKSA-N 2 2 319.493 3.678 20 0 DHADLP CC(C)c1nc(N(C)CCCn2cc[nH+]c2)cc(C(C)(C)C)[nH+]1 ZINC000433752932 338035688 /nfs/dbraw/zinc/03/56/88/338035688.db2.gz DLTFCEDYFCVQHF-UHFFFAOYSA-N 2 2 315.465 3.621 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000428327340 338047486 /nfs/dbraw/zinc/04/74/86/338047486.db2.gz SPLSAICQYKLDEL-GDBMZVCRSA-N 2 2 319.493 3.678 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000428327340 338047487 /nfs/dbraw/zinc/04/74/87/338047487.db2.gz SPLSAICQYKLDEL-GDBMZVCRSA-N 2 2 319.493 3.678 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cnc(C)cn2)cc1 ZINC000428344048 338047987 /nfs/dbraw/zinc/04/79/87/338047987.db2.gz AJSKJMGHLIVINH-GJZGRUSLSA-N 2 2 321.428 3.691 20 0 DHADLP CCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)o1 ZINC000428443326 338051682 /nfs/dbraw/zinc/05/16/82/338051682.db2.gz YGJFVTGTWZCWAL-JKSUJKDBSA-N 2 2 307.482 3.536 20 0 DHADLP CCc1nc(C)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)o1 ZINC000428443323 338051725 /nfs/dbraw/zinc/05/17/25/338051725.db2.gz YGJFVTGTWZCWAL-CVEARBPZSA-N 2 2 307.482 3.536 20 0 DHADLP C[C@@H](CC[NH2+]Cc1nc2ccc(F)cc2s1)[NH+]1CCCCC1 ZINC000428864643 338063253 /nfs/dbraw/zinc/06/32/53/338063253.db2.gz UPCRHTTYFKRKBR-ZDUSSCGKSA-N 2 2 321.465 3.790 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000429554860 338083905 /nfs/dbraw/zinc/08/39/05/338083905.db2.gz UKDQSDPCEJPMQT-AWEZNQCLSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000429554860 338083906 /nfs/dbraw/zinc/08/39/06/338083906.db2.gz UKDQSDPCEJPMQT-AWEZNQCLSA-N 2 2 301.261 3.910 20 0 DHADLP CC1(C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1cccnc1 ZINC000430085587 338095374 /nfs/dbraw/zinc/09/53/74/338095374.db2.gz NLWQMUDWDYXYEC-QGZVFWFLSA-N 2 2 324.453 3.912 20 0 DHADLP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1cccnc1 ZINC000430085587 338095375 /nfs/dbraw/zinc/09/53/75/338095375.db2.gz NLWQMUDWDYXYEC-QGZVFWFLSA-N 2 2 324.453 3.912 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000430559725 338108683 /nfs/dbraw/zinc/10/86/83/338108683.db2.gz XPXYJNQCOBUVGS-OLZOCXBDSA-N 2 2 319.449 3.508 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000430559725 338108684 /nfs/dbraw/zinc/10/86/84/338108684.db2.gz XPXYJNQCOBUVGS-OLZOCXBDSA-N 2 2 319.449 3.508 20 0 DHADLP C[C@@](C[NH3+])([NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000430566676 338108869 /nfs/dbraw/zinc/10/88/69/338108869.db2.gz HSPHWJBBFRGUGZ-INIZCTEOSA-N 2 2 321.877 3.681 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000430584176 338109239 /nfs/dbraw/zinc/10/92/39/338109239.db2.gz OCOZFDYSZPOFPY-STQMWFEESA-N 2 2 324.419 3.798 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000430584176 338109240 /nfs/dbraw/zinc/10/92/40/338109240.db2.gz OCOZFDYSZPOFPY-STQMWFEESA-N 2 2 324.419 3.798 20 0 DHADLP C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H]1C[NH3+] ZINC000430586965 338109309 /nfs/dbraw/zinc/10/93/09/338109309.db2.gz ZTFCTMOCPKZISO-SJKOYZFVSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)[C@@H]1C[NH3+] ZINC000430586965 338109310 /nfs/dbraw/zinc/10/93/10/338109310.db2.gz ZTFCTMOCPKZISO-SJKOYZFVSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000430642217 338110297 /nfs/dbraw/zinc/11/02/97/338110297.db2.gz ODTCFXTYNDJHAI-YJBOKZPZSA-N 2 2 311.429 3.576 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000430642217 338110298 /nfs/dbraw/zinc/11/02/98/338110298.db2.gz ODTCFXTYNDJHAI-YJBOKZPZSA-N 2 2 311.429 3.576 20 0 DHADLP c1ccc(C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CC2)cc1 ZINC000162836146 338137657 /nfs/dbraw/zinc/13/76/57/338137657.db2.gz LUMPWSKOYBVKCX-LJQANCHMSA-N 2 2 309.457 3.885 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[N@@H+]1C ZINC000432244248 338150301 /nfs/dbraw/zinc/15/03/01/338150301.db2.gz CHCWYQUEPNAOSN-GXSJLCMTSA-N 2 2 305.224 3.705 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[N@H+]1C ZINC000432244248 338150302 /nfs/dbraw/zinc/15/03/02/338150302.db2.gz CHCWYQUEPNAOSN-GXSJLCMTSA-N 2 2 305.224 3.705 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC4(CCC4)C[C@@H]3C)sc2C1 ZINC000432789146 338167794 /nfs/dbraw/zinc/16/77/94/338167794.db2.gz PRCVNSNOLGFRTK-AWEZNQCLSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC4(CCC4)C[C@@H]3C)sc2C1 ZINC000432789146 338167795 /nfs/dbraw/zinc/16/77/95/338167795.db2.gz PRCVNSNOLGFRTK-AWEZNQCLSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC4(CCC4)C[C@@H]3C)sc2C1 ZINC000432789146 338167796 /nfs/dbraw/zinc/16/77/96/338167796.db2.gz PRCVNSNOLGFRTK-AWEZNQCLSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC4(CCC4)C[C@@H]3C)sc2C1 ZINC000432789146 338167797 /nfs/dbraw/zinc/16/77/97/338167797.db2.gz PRCVNSNOLGFRTK-AWEZNQCLSA-N 2 2 319.518 3.674 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@H]3CC[C@H](C)C3)sc2C1 ZINC000433036735 338177671 /nfs/dbraw/zinc/17/76/71/338177671.db2.gz YNQHDRCYGLWROS-KBPBESRZSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@H]3CC[C@H](C)C3)sc2C1 ZINC000433036735 338177672 /nfs/dbraw/zinc/17/76/72/338177672.db2.gz YNQHDRCYGLWROS-KBPBESRZSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@H]3CC[C@H](C)C3)sc2C1 ZINC000433036735 338177673 /nfs/dbraw/zinc/17/76/73/338177673.db2.gz YNQHDRCYGLWROS-KBPBESRZSA-N 2 2 307.507 3.530 20 0 DHADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000433038373 338177828 /nfs/dbraw/zinc/17/78/28/338177828.db2.gz JTLXEYMFWIWKKP-HLIPFELVSA-N 2 2 324.468 3.953 20 0 DHADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000433038373 338177829 /nfs/dbraw/zinc/17/78/29/338177829.db2.gz JTLXEYMFWIWKKP-HLIPFELVSA-N 2 2 324.468 3.953 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(F)c(Cl)cc2F)CC1 ZINC000433093299 338181471 /nfs/dbraw/zinc/18/14/71/338181471.db2.gz TVYOTDKGLNMQAQ-UHFFFAOYSA-N 2 2 316.823 3.971 20 0 DHADLP CC(C)c1nc(N2CCC[C@@H]([NH+](C)C)CC2)cc(C(C)(C)C)[nH+]1 ZINC000433802770 338202340 /nfs/dbraw/zinc/20/23/40/338202340.db2.gz JZODCSQKVJXANE-OAHLLOKOSA-N 2 2 318.509 3.818 20 0 DHADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC000434639270 338222230 /nfs/dbraw/zinc/22/22/30/338222230.db2.gz XTZVUJZLFUGYKJ-PNWMKBJFSA-N 2 2 321.468 3.549 20 0 DHADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC000434639270 338222231 /nfs/dbraw/zinc/22/22/31/338222231.db2.gz XTZVUJZLFUGYKJ-PNWMKBJFSA-N 2 2 321.468 3.549 20 0 DHADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC000434639270 338222232 /nfs/dbraw/zinc/22/22/32/338222232.db2.gz XTZVUJZLFUGYKJ-PNWMKBJFSA-N 2 2 321.468 3.549 20 0 DHADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000434639270 338222233 /nfs/dbraw/zinc/22/22/33/338222233.db2.gz XTZVUJZLFUGYKJ-PNWMKBJFSA-N 2 2 321.468 3.549 20 0 DHADLP Cc1cccc(C)c1OCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434985645 338228794 /nfs/dbraw/zinc/22/87/94/338228794.db2.gz JPEUZVZOHSFVLE-UHFFFAOYSA-N 2 2 313.445 3.675 20 0 DHADLP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1C ZINC000435054969 338231201 /nfs/dbraw/zinc/23/12/01/338231201.db2.gz GGTCJOKNDMAEEC-GOSISDBHSA-N 2 2 321.424 3.833 20 0 DHADLP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2c1C ZINC000435054969 338231202 /nfs/dbraw/zinc/23/12/02/338231202.db2.gz GGTCJOKNDMAEEC-GOSISDBHSA-N 2 2 321.424 3.833 20 0 DHADLP CC[N@H+](Cc1ncc(-c2ccc(C)cc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435612749 338243576 /nfs/dbraw/zinc/24/35/76/338243576.db2.gz HHZTUYQWBTVMGP-KRWDZBQOSA-N 2 2 313.445 3.614 20 0 DHADLP CC[N@@H+](Cc1ncc(-c2ccc(C)cc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435612749 338243577 /nfs/dbraw/zinc/24/35/77/338243577.db2.gz HHZTUYQWBTVMGP-KRWDZBQOSA-N 2 2 313.445 3.614 20 0 DHADLP CC[N@H+](Cc1csc(-c2ccc(C)o2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435625800 338243869 /nfs/dbraw/zinc/24/38/69/338243869.db2.gz MSFSDNPMGHEPGM-HNNXBMFYSA-N 2 2 319.474 3.676 20 0 DHADLP CC[N@@H+](Cc1csc(-c2ccc(C)o2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435625800 338243870 /nfs/dbraw/zinc/24/38/70/338243870.db2.gz MSFSDNPMGHEPGM-HNNXBMFYSA-N 2 2 319.474 3.676 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3C[C@H](c4cccc(F)c4)C3)n2c1 ZINC000435746179 338247667 /nfs/dbraw/zinc/24/76/67/338247667.db2.gz UMAGZKIPQOEJSX-JCNLHEQBSA-N 2 2 309.388 3.818 20 0 DHADLP C[NH+](C)C1(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CCC1 ZINC000437086229 338300060 /nfs/dbraw/zinc/30/00/60/338300060.db2.gz QSNMNGPBPPBPGD-GOSISDBHSA-N 2 2 302.437 3.836 20 0 DHADLP CSc1ccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000437234166 338304360 /nfs/dbraw/zinc/30/43/60/338304360.db2.gz GOGNABUGXQSMGS-UHFFFAOYSA-N 2 2 300.471 3.877 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)c[nH+]1 ZINC000437343226 338307437 /nfs/dbraw/zinc/30/74/37/338307437.db2.gz CGCVTAHBMVKHSM-FQEVSTJZSA-N 3 2 315.505 3.709 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)c[nH+]1 ZINC000437343226 338307438 /nfs/dbraw/zinc/30/74/38/338307438.db2.gz CGCVTAHBMVKHSM-FQEVSTJZSA-N 3 2 315.505 3.709 20 0 DHADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000437754996 338320229 /nfs/dbraw/zinc/32/02/29/338320229.db2.gz RNWKUDWPLURFST-WIYYLYMNSA-N 2 2 319.452 3.977 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000438090872 338331036 /nfs/dbraw/zinc/33/10/36/338331036.db2.gz CSOXSTYKLNHDLH-LPHOPBHVSA-N 2 2 314.448 3.519 20 0 DHADLP Fc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000438126419 338333544 /nfs/dbraw/zinc/33/35/44/338333544.db2.gz YONVFFOEKOHEJY-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000438126419 338333545 /nfs/dbraw/zinc/33/35/45/338333545.db2.gz YONVFFOEKOHEJY-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000438126419 338333546 /nfs/dbraw/zinc/33/35/46/338333546.db2.gz YONVFFOEKOHEJY-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1cc(Cl)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000438126419 338333547 /nfs/dbraw/zinc/33/35/47/338333547.db2.gz YONVFFOEKOHEJY-KDOFPFPSSA-N 2 2 322.855 3.928 20 0 DHADLP C[C@@H](C[NH2+]CCCCOc1ccccc1)[NH+]1CCC(C)CC1 ZINC000438206811 338336541 /nfs/dbraw/zinc/33/65/41/338336541.db2.gz DDSCRUYAOMZEFJ-SFHVURJKSA-N 2 2 304.478 3.556 20 0 DHADLP c1cn2c(cccc2C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)[nH+]1 ZINC000438376921 338342108 /nfs/dbraw/zinc/34/21/08/338342108.db2.gz PYQAUFZXEPKVBJ-ZWKOTPCHSA-N 2 2 305.425 3.835 20 0 DHADLP COc1cc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)ccc1C ZINC000447857167 338569628 /nfs/dbraw/zinc/56/96/28/338569628.db2.gz VMRNBOQPUUQRTH-UHFFFAOYSA-N 2 2 323.440 3.842 20 0 DHADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)Cc1ccoc1)[NH+](C)C ZINC000449268228 338608437 /nfs/dbraw/zinc/60/84/37/338608437.db2.gz FFYIVSQNKPHNMK-GJYPPUQNSA-N 2 2 300.446 3.800 20 0 DHADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000449298011 338610698 /nfs/dbraw/zinc/61/06/98/338610698.db2.gz ILKRAJSPYPAOOQ-PIMMBPRGSA-N 2 2 324.390 3.698 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000449765496 338650992 /nfs/dbraw/zinc/65/09/92/338650992.db2.gz IRSZWMHKVFJOJG-IKGGRYGDSA-N 2 2 301.478 3.855 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000449766419 338651092 /nfs/dbraw/zinc/65/10/92/338651092.db2.gz NMMFYQZUPIESAJ-SQNIBIBYSA-N 2 2 315.505 3.850 20 0 DHADLP C[C@@H](c1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1)C(F)(F)F ZINC000450252275 338673521 /nfs/dbraw/zinc/67/35/21/338673521.db2.gz HJULCGYQGOBREM-ZDUSSCGKSA-N 2 2 314.395 3.878 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000450711122 338700465 /nfs/dbraw/zinc/70/04/65/338700465.db2.gz OSBCPSTWEAQWKV-KBPBESRZSA-N 2 2 305.372 3.958 20 0 DHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C(C)C)s1 ZINC000450751745 338703471 /nfs/dbraw/zinc/70/34/71/338703471.db2.gz DSUGUYVSZCCYEG-GJZGRUSLSA-N 2 2 324.538 3.652 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000453090925 338792617 /nfs/dbraw/zinc/79/26/17/338792617.db2.gz YYLJKYVKJHEOBG-INIZCTEOSA-N 2 2 322.456 3.892 20 0 DHADLP CCn1cc[nH+]c1[C@H](C)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000453112051 338795094 /nfs/dbraw/zinc/79/50/94/338795094.db2.gz FKHZKKKTXXRRQB-HOTGVXAUSA-N 2 2 314.477 3.683 20 0 DHADLP Cn1c[nH+]cc1CC[NH+](Cc1cccs1)Cc1cccs1 ZINC000459283721 339019226 /nfs/dbraw/zinc/01/92/26/339019226.db2.gz RUJSPEOIEYBLEX-UHFFFAOYSA-N 2 2 317.483 3.788 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000459364578 339024793 /nfs/dbraw/zinc/02/47/93/339024793.db2.gz AAKHCCPTIMVOSR-HNNXBMFYSA-N 2 2 313.445 3.505 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000459364578 339024794 /nfs/dbraw/zinc/02/47/94/339024794.db2.gz AAKHCCPTIMVOSR-HNNXBMFYSA-N 2 2 313.445 3.505 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000459412641 339027686 /nfs/dbraw/zinc/02/76/86/339027686.db2.gz PSTMFDFGUZCQAS-HLRDLLSLSA-N 2 2 315.486 3.982 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000459412641 339027687 /nfs/dbraw/zinc/02/76/87/339027687.db2.gz PSTMFDFGUZCQAS-HLRDLLSLSA-N 2 2 315.486 3.982 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(F)cc(C)cc1Cl)CCC2 ZINC000459426336 339028498 /nfs/dbraw/zinc/02/84/98/339028498.db2.gz SWWCHRPBWCLUJG-CYBMUJFWSA-N 2 2 321.827 3.960 20 0 DHADLP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000459438357 339029296 /nfs/dbraw/zinc/02/92/96/339029296.db2.gz LKLPRWUBUKTQAP-SFHVURJKSA-N 2 2 308.416 3.878 20 0 DHADLP Cn1c[nH+]cc1CC[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000459440882 339029378 /nfs/dbraw/zinc/02/93/78/339029378.db2.gz XUIIEHAZERFEPJ-UHFFFAOYSA-N 2 2 321.827 3.577 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000459519074 339033827 /nfs/dbraw/zinc/03/38/27/339033827.db2.gz SDGBWMWICVMNFG-KRWDZBQOSA-N 2 2 303.837 3.843 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000459519074 339033828 /nfs/dbraw/zinc/03/38/28/339033828.db2.gz SDGBWMWICVMNFG-KRWDZBQOSA-N 2 2 303.837 3.843 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1C ZINC000459660287 339041262 /nfs/dbraw/zinc/04/12/62/339041262.db2.gz DZVPQKPZOSZOJL-YLJYHZDGSA-N 2 2 323.484 3.841 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1C ZINC000459660287 339041263 /nfs/dbraw/zinc/04/12/63/339041263.db2.gz DZVPQKPZOSZOJL-YLJYHZDGSA-N 2 2 323.484 3.841 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)c1ccn(C)n1 ZINC000459783456 339048492 /nfs/dbraw/zinc/04/84/92/339048492.db2.gz ZVNHYXTZNVLDLA-HNNXBMFYSA-N 2 2 320.525 3.750 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H](C)COc3c(C)cccc3C)c[nH+]c12 ZINC000462356550 339076477 /nfs/dbraw/zinc/07/64/77/339076477.db2.gz FIUQQFITTKMTQQ-QGZVFWFLSA-N 2 2 323.440 3.817 20 0 DHADLP Cc1cc(C)cc(C[C@H](C)[NH2+]Cc2c[nH+]c3c(C)cccn23)c1 ZINC000462737843 339085811 /nfs/dbraw/zinc/08/58/11/339085811.db2.gz XKOLGRVSDZIPFN-KRWDZBQOSA-N 2 2 307.441 3.980 20 0 DHADLP C[C@H]1CC[C@@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000462750235 339086666 /nfs/dbraw/zinc/08/66/66/339086666.db2.gz NBQMLBJFKPVJDE-DLBZAZTESA-N 2 2 308.510 3.578 20 0 DHADLP C[C@H]1CC[C@@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000462750235 339086667 /nfs/dbraw/zinc/08/66/67/339086667.db2.gz NBQMLBJFKPVJDE-DLBZAZTESA-N 2 2 308.510 3.578 20 0 DHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H](C)C[NH+](C)C ZINC000462819847 339091854 /nfs/dbraw/zinc/09/18/54/339091854.db2.gz LBMNBOUSCNXRQT-CABCVRRESA-N 2 2 301.478 3.764 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000462842779 339093821 /nfs/dbraw/zinc/09/38/21/339093821.db2.gz RQMGEJCQDIUIHP-HDMKZQKVSA-N 2 2 304.478 3.997 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000462842779 339093822 /nfs/dbraw/zinc/09/38/22/339093822.db2.gz RQMGEJCQDIUIHP-HDMKZQKVSA-N 2 2 304.478 3.997 20 0 DHADLP CC[N@H+](C)CC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462883215 339096149 /nfs/dbraw/zinc/09/61/49/339096149.db2.gz KKIFBJKOVHDRGZ-HNNXBMFYSA-N 2 2 301.478 3.765 20 0 DHADLP CC[N@@H+](C)CC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462883215 339096150 /nfs/dbraw/zinc/09/61/50/339096150.db2.gz KKIFBJKOVHDRGZ-HNNXBMFYSA-N 2 2 301.478 3.765 20 0 DHADLP CC(C)O[C@@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1(C)C ZINC000463023819 339100996 /nfs/dbraw/zinc/10/09/96/339100996.db2.gz MSTSTIUWTFSCLO-DLBZAZTESA-N 2 2 315.461 3.677 20 0 DHADLP CC[C@H](C[NH2+][C@H](C)c1cncc(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000467750986 339245769 /nfs/dbraw/zinc/24/57/69/339245769.db2.gz DEOOMSQDHUXJCQ-DYESRHJHSA-N 2 2 323.484 3.878 20 0 DHADLP CC[C@H](C[NH2+][C@H](C)c1cncc(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000467750986 339245770 /nfs/dbraw/zinc/24/57/70/339245770.db2.gz DEOOMSQDHUXJCQ-DYESRHJHSA-N 2 2 323.484 3.878 20 0 DHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCOCC1 ZINC000469797954 339300747 /nfs/dbraw/zinc/30/07/47/339300747.db2.gz FAVGAHDYDQRSMC-PXNSSMCTSA-N 2 2 318.505 3.548 20 0 DHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CCOCC1 ZINC000469797954 339300748 /nfs/dbraw/zinc/30/07/48/339300748.db2.gz FAVGAHDYDQRSMC-PXNSSMCTSA-N 2 2 318.505 3.548 20 0 DHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000469874965 339303432 /nfs/dbraw/zinc/30/34/32/339303432.db2.gz YGJLOMOSRHPPQU-ZJUUUORDSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000469874965 339303433 /nfs/dbraw/zinc/30/34/33/339303433.db2.gz YGJLOMOSRHPPQU-ZJUUUORDSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471619176 339349759 /nfs/dbraw/zinc/34/97/59/339349759.db2.gz ODLIXCXGRISYAS-VNHYZAJKSA-N 2 2 302.384 3.998 20 0 DHADLP COc1ccccc1/C=C/C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000472039313 339360102 /nfs/dbraw/zinc/36/01/02/339360102.db2.gz WMRXUDQQCGMWFV-YZNZMHLSSA-N 2 2 324.468 3.989 20 0 DHADLP CCOc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000472080324 339363023 /nfs/dbraw/zinc/36/30/23/339363023.db2.gz NNNLAKBYOZJILN-JXFKEZNVSA-N 2 2 312.457 3.866 20 0 DHADLP CCOc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000472080326 339363033 /nfs/dbraw/zinc/36/30/33/339363033.db2.gz NNNLAKBYOZJILN-OXQOHEQNSA-N 2 2 312.457 3.866 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473140421 339382164 /nfs/dbraw/zinc/38/21/64/339382164.db2.gz CEZMCTRPOBJPSN-KRWDZBQOSA-N 2 2 313.489 3.948 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473140421 339382165 /nfs/dbraw/zinc/38/21/65/339382165.db2.gz CEZMCTRPOBJPSN-KRWDZBQOSA-N 2 2 313.489 3.948 20 0 DHADLP Cc1ccc(CCC[NH+]2CCC(N(C)c3ccccc3)CC2)c[nH+]1 ZINC000474153755 339404835 /nfs/dbraw/zinc/40/48/35/339404835.db2.gz LRHFJGARGHGFGV-UHFFFAOYSA-N 2 2 323.484 3.923 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000474928167 339431541 /nfs/dbraw/zinc/43/15/41/339431541.db2.gz SAECNEGGBHBBRE-XEZPLFJOSA-N 2 2 303.837 3.633 20 0 DHADLP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC[NH+]2CCCC2)cc1F ZINC000480015584 339555429 /nfs/dbraw/zinc/55/54/29/339555429.db2.gz MFKXVAYOWQFRMF-WMZOPIPTSA-N 2 2 320.452 3.546 20 0 DHADLP Cc1ccc(N2CCC([NH2+]Cc3ccsc3Cl)CC2)[nH+]c1 ZINC000480352560 339570151 /nfs/dbraw/zinc/57/01/51/339570151.db2.gz DYTVXIXPFBTIMN-UHFFFAOYSA-N 2 2 321.877 3.864 20 0 DHADLP COC1(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000480397856 339572189 /nfs/dbraw/zinc/57/21/89/339572189.db2.gz VJXGZZRUZRWIRT-INIZCTEOSA-N 2 2 304.478 3.665 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000482168444 339625435 /nfs/dbraw/zinc/62/54/35/339625435.db2.gz HXEIGBSBNISNPB-GFCCVEGCSA-N 2 2 312.244 3.801 20 0 DHADLP CC(C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000482437991 339631251 /nfs/dbraw/zinc/63/12/51/339631251.db2.gz LSFUVPLKCFQJJG-HKUYNNGSSA-N 2 2 315.505 3.850 20 0 DHADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000482486254 339632995 /nfs/dbraw/zinc/63/29/95/339632995.db2.gz DGANIUWENFGBIX-GXTWGEPZSA-N 2 2 300.899 3.750 20 0 DHADLP Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]CCCn2cc[nH+]c2)c1 ZINC000484652589 339691667 /nfs/dbraw/zinc/69/16/67/339691667.db2.gz PIEGYSUMIFQNBK-RTBURBONSA-N 2 2 313.445 3.561 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+]C[C@H]2CCSC2)c2cccs2)CC1 ZINC000486977723 339741130 /nfs/dbraw/zinc/74/11/30/339741130.db2.gz XMRFVXSMPGNDTC-HZPDHXFCSA-N 2 2 324.559 3.864 20 0 DHADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CS1 ZINC000488429705 339781722 /nfs/dbraw/zinc/78/17/22/339781722.db2.gz FDOOWVPOPQGWBW-ZWKOTPCHSA-N 2 2 315.486 3.551 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000488458044 339783716 /nfs/dbraw/zinc/78/37/16/339783716.db2.gz JUGUORJOTFUTAR-QAPCUYQASA-N 2 2 317.502 3.855 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@@H]1C ZINC000494881236 339963537 /nfs/dbraw/zinc/96/35/37/339963537.db2.gz VZCGMHIAXRFUDL-HBUWYVDXSA-N 2 2 306.881 3.939 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000501413553 340080299 /nfs/dbraw/zinc/08/02/99/340080299.db2.gz PPAVLVIQDHRDFG-VSKPTYQZSA-N 2 2 324.390 3.935 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000501413553 340080300 /nfs/dbraw/zinc/08/03/00/340080300.db2.gz PPAVLVIQDHRDFG-VSKPTYQZSA-N 2 2 324.390 3.935 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H](C)COC(C)C)[NH+]2CCCC2)cc1 ZINC000501432667 340080917 /nfs/dbraw/zinc/08/09/17/340080917.db2.gz DYAYKWKBIFUPOJ-HKUYNNGSSA-N 2 2 304.478 3.535 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000502453068 340104118 /nfs/dbraw/zinc/10/41/18/340104118.db2.gz JVJZTEYCWXMXMT-ZULIPRJHSA-N 2 2 318.505 3.781 20 0 DHADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503040940 340119536 /nfs/dbraw/zinc/11/95/36/340119536.db2.gz COGONNVVKJHSHD-ZWKOTPCHSA-N 2 2 319.452 3.899 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000503580984 340131541 /nfs/dbraw/zinc/13/15/41/340131541.db2.gz HXIOLZFVAVYATR-RTBURBONSA-N 2 2 318.505 3.692 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000503580984 340131542 /nfs/dbraw/zinc/13/15/42/340131542.db2.gz HXIOLZFVAVYATR-RTBURBONSA-N 2 2 318.505 3.692 20 0 DHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000506343950 340192882 /nfs/dbraw/zinc/19/28/82/340192882.db2.gz ZVJZWXOYDWWCBI-UHFFFAOYSA-N 2 2 316.489 3.705 20 0 DHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000506343950 340192883 /nfs/dbraw/zinc/19/28/83/340192883.db2.gz ZVJZWXOYDWWCBI-UHFFFAOYSA-N 2 2 316.489 3.705 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000507460567 340220729 /nfs/dbraw/zinc/22/07/29/340220729.db2.gz IMLANAVQJLBFLO-NSHDSACASA-N 2 2 306.397 3.816 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000507504066 340222997 /nfs/dbraw/zinc/22/29/97/340222997.db2.gz BTAGOKJJPPWMCD-QGZVFWFLSA-N 2 2 323.484 3.743 20 0 DHADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000507504066 340222998 /nfs/dbraw/zinc/22/29/98/340222998.db2.gz BTAGOKJJPPWMCD-QGZVFWFLSA-N 2 2 323.484 3.743 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000507509880 340223288 /nfs/dbraw/zinc/22/32/88/340223288.db2.gz LTNFGOZHAIZVOF-UHFFFAOYSA-N 2 2 306.416 3.963 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCCOC2)[NH+]2CCCC2)cc1 ZINC000507508877 340223302 /nfs/dbraw/zinc/22/33/02/340223302.db2.gz KDEUZQLKMFQACZ-HOJAQTOUSA-N 2 2 316.489 3.537 20 0 DHADLP CC1(C)CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507520249 340224030 /nfs/dbraw/zinc/22/40/30/340224030.db2.gz OLCBEGUMVRNMNF-AWEZNQCLSA-N 2 2 306.416 3.962 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C[C@@H](C)CC(C)C)CC1 ZINC000507522269 340224442 /nfs/dbraw/zinc/22/44/42/340224442.db2.gz FUIZJADOQYMRIT-DLBZAZTESA-N 2 2 312.542 3.926 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000509578530 340274026 /nfs/dbraw/zinc/27/40/26/340274026.db2.gz HWZZPJIEEBDISV-LAUBAEHRSA-N 2 2 324.468 3.750 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000509824825 340280646 /nfs/dbraw/zinc/28/06/46/340280646.db2.gz AHIRUNOLQMVBTI-KEWOFRHOSA-N 2 2 318.505 3.802 20 0 DHADLP Cc1cc[nH+]c(N2CC[NH+](Cc3csc4ccccc34)CC2)c1 ZINC000510539031 340302262 /nfs/dbraw/zinc/30/22/62/340302262.db2.gz ONEZIKOXRDIKPB-UHFFFAOYSA-N 2 2 323.465 3.927 20 0 DHADLP COCC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)(C)C ZINC000510992082 340317385 /nfs/dbraw/zinc/31/73/85/340317385.db2.gz BNBNKKNNBCWXAW-WDSOQIARSA-N 2 2 318.505 3.548 20 0 DHADLP COCC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)(C)C ZINC000510992082 340317386 /nfs/dbraw/zinc/31/73/86/340317386.db2.gz BNBNKKNNBCWXAW-WDSOQIARSA-N 2 2 318.505 3.548 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)sc1Br ZINC000512129995 340349395 /nfs/dbraw/zinc/34/93/95/340349395.db2.gz MEAVRAKAOUFWEP-QWRGUYRKSA-N 2 2 317.296 3.564 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)sc1Br ZINC000512129995 340349396 /nfs/dbraw/zinc/34/93/96/340349396.db2.gz MEAVRAKAOUFWEP-QWRGUYRKSA-N 2 2 317.296 3.564 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)sc1Br ZINC000512129730 340349483 /nfs/dbraw/zinc/34/94/83/340349483.db2.gz MEAVRAKAOUFWEP-GHMZBOCLSA-N 2 2 317.296 3.564 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)sc1Br ZINC000512129730 340349484 /nfs/dbraw/zinc/34/94/84/340349484.db2.gz MEAVRAKAOUFWEP-GHMZBOCLSA-N 2 2 317.296 3.564 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512238192 340353635 /nfs/dbraw/zinc/35/36/35/340353635.db2.gz YNGNIFSCTIUERG-OAQYLSRUSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512238192 340353636 /nfs/dbraw/zinc/35/36/36/340353636.db2.gz YNGNIFSCTIUERG-OAQYLSRUSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512238192 340353637 /nfs/dbraw/zinc/35/36/37/340353637.db2.gz YNGNIFSCTIUERG-OAQYLSRUSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512238192 340353638 /nfs/dbraw/zinc/35/36/38/340353638.db2.gz YNGNIFSCTIUERG-OAQYLSRUSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512275142 340355100 /nfs/dbraw/zinc/35/51/00/340355100.db2.gz HADKLFDUGPYJQA-NRFANRHFSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512275142 340355101 /nfs/dbraw/zinc/35/51/01/340355101.db2.gz HADKLFDUGPYJQA-NRFANRHFSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512275142 340355102 /nfs/dbraw/zinc/35/51/02/340355102.db2.gz HADKLFDUGPYJQA-NRFANRHFSA-N 2 2 324.443 3.924 20 0 DHADLP Fc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512275142 340355103 /nfs/dbraw/zinc/35/51/03/340355103.db2.gz HADKLFDUGPYJQA-NRFANRHFSA-N 2 2 324.443 3.924 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1 ZINC000512567695 340367252 /nfs/dbraw/zinc/36/72/52/340367252.db2.gz CTYZGDRDSWQWTJ-GOSISDBHSA-N 2 2 319.880 3.851 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1 ZINC000512567695 340367253 /nfs/dbraw/zinc/36/72/53/340367253.db2.gz CTYZGDRDSWQWTJ-GOSISDBHSA-N 2 2 319.880 3.851 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C[N@@H+]1C1CC1 ZINC000512584200 340367935 /nfs/dbraw/zinc/36/79/35/340367935.db2.gz XEYMSFZJXQZXBH-BBRMVZONSA-N 2 2 317.864 3.510 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCn2ccc3cc(Cl)ccc32)C[N@H+]1C1CC1 ZINC000512584200 340367936 /nfs/dbraw/zinc/36/79/36/340367936.db2.gz XEYMSFZJXQZXBH-BBRMVZONSA-N 2 2 317.864 3.510 20 0 DHADLP C[C@H](C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)C[NH+](C)C ZINC000517471807 340470361 /nfs/dbraw/zinc/47/03/61/340470361.db2.gz YGTDNHPHXFTXLK-GFCCVEGCSA-N 2 2 323.893 3.751 20 0 DHADLP COc1ccsc1[C@@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000186087317 340508039 /nfs/dbraw/zinc/50/80/39/340508039.db2.gz KKQIYLVJOPEVIV-GFCCVEGCSA-N 2 2 315.442 3.766 20 0 DHADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000397762189 340714070 /nfs/dbraw/zinc/71/40/70/340714070.db2.gz IPVPOISLKLPLLX-CQSZACIVSA-N 2 2 311.267 3.584 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530242798 340783556 /nfs/dbraw/zinc/78/35/56/340783556.db2.gz DIFUHBWFUODWFD-FQEVSTJZSA-N 2 2 322.452 3.736 20 0 DHADLP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000037997375 340788952 /nfs/dbraw/zinc/78/89/52/340788952.db2.gz JEXUVXVSUUGGLS-UHFFFAOYSA-N 2 2 310.869 3.701 20 0 DHADLP CCc1c(C)[nH+]c2ccccc2c1NCCCCn1cc[nH+]c1 ZINC000539806319 340900616 /nfs/dbraw/zinc/90/06/16/340900616.db2.gz LLDHGQGYMIZFIN-UHFFFAOYSA-N 2 2 308.429 3.616 20 0 DHADLP CCc1nc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cs1 ZINC000542465607 341008509 /nfs/dbraw/zinc/00/85/09/341008509.db2.gz UAXBIKFWFGEVCC-UHFFFAOYSA-N 2 2 318.471 3.585 20 0 DHADLP CCc1nc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)cs1 ZINC000542465607 341008510 /nfs/dbraw/zinc/00/85/10/341008510.db2.gz UAXBIKFWFGEVCC-UHFFFAOYSA-N 2 2 318.471 3.585 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cnc2ccsc2c1 ZINC000130656611 341037005 /nfs/dbraw/zinc/03/70/05/341037005.db2.gz WTPBTJFVVZTOOQ-CYBMUJFWSA-N 2 2 322.437 3.837 20 0 DHADLP CS[C@@H](C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000543426374 341044077 /nfs/dbraw/zinc/04/40/77/341044077.db2.gz QRHUUBXHVBIOSZ-ROUUACIJSA-N 2 2 320.546 3.671 20 0 DHADLP CS[C@@H](C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)(C)C ZINC000543426374 341044078 /nfs/dbraw/zinc/04/40/78/341044078.db2.gz QRHUUBXHVBIOSZ-ROUUACIJSA-N 2 2 320.546 3.671 20 0 DHADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1nc(C(C)(C)C)cs1 ZINC000543511039 341048149 /nfs/dbraw/zinc/04/81/49/341048149.db2.gz CBUXVMQEIMRLSD-KGLIPLIRSA-N 2 2 309.523 3.966 20 0 DHADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1nc(C(C)(C)C)cs1 ZINC000543511039 341048150 /nfs/dbraw/zinc/04/81/50/341048150.db2.gz CBUXVMQEIMRLSD-KGLIPLIRSA-N 2 2 309.523 3.966 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000543603172 341050665 /nfs/dbraw/zinc/05/06/65/341050665.db2.gz ZBVWZEVBTDYDJQ-BZSNNMDCSA-N 2 2 304.865 3.934 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000543603172 341050666 /nfs/dbraw/zinc/05/06/66/341050666.db2.gz ZBVWZEVBTDYDJQ-BZSNNMDCSA-N 2 2 304.865 3.934 20 0 DHADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000543633673 341052330 /nfs/dbraw/zinc/05/23/30/341052330.db2.gz RGSIVQWUUHKSJL-DNVCBOLYSA-N 2 2 302.437 3.693 20 0 DHADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000543633673 341052331 /nfs/dbraw/zinc/05/23/31/341052331.db2.gz RGSIVQWUUHKSJL-DNVCBOLYSA-N 2 2 302.437 3.693 20 0 DHADLP c1cn2c(cccc2C[NH2+]C2(Cc3ccccc3)CCCC2)[nH+]1 ZINC000543638259 341052675 /nfs/dbraw/zinc/05/26/75/341052675.db2.gz VMJGAMFQMAHONR-UHFFFAOYSA-N 2 2 305.425 3.979 20 0 DHADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccccc1 ZINC000544407299 341080729 /nfs/dbraw/zinc/08/07/29/341080729.db2.gz YYDOMZROQXWIFY-INIZCTEOSA-N 2 2 323.415 3.980 20 0 DHADLP C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000544407036 341080749 /nfs/dbraw/zinc/08/07/49/341080749.db2.gz CJSABYAQLYLIPK-QUCCMNQESA-N 2 2 300.490 3.816 20 0 DHADLP C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000544407036 341080750 /nfs/dbraw/zinc/08/07/50/341080750.db2.gz CJSABYAQLYLIPK-QUCCMNQESA-N 2 2 300.490 3.816 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CCC2)o1 ZINC000544578506 341086951 /nfs/dbraw/zinc/08/69/51/341086951.db2.gz AQZBUPCYJFGLBK-LJQANCHMSA-N 2 2 313.445 3.794 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)o1 ZINC000132291847 341120224 /nfs/dbraw/zinc/12/02/24/341120224.db2.gz XQKUJRAFYFGJAI-MRXNPFEDSA-N 2 2 323.440 3.980 20 0 DHADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000132644742 341135380 /nfs/dbraw/zinc/13/53/80/341135380.db2.gz GBRCVHRPRRYRFK-CJNGLKHVSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000132644742 341135381 /nfs/dbraw/zinc/13/53/81/341135381.db2.gz GBRCVHRPRRYRFK-CJNGLKHVSA-N 2 2 323.362 3.985 20 0 DHADLP Cc1cccn2c(C[NH2+][C@]3(C)CCCc4ccccc43)c[nH+]c12 ZINC000545875538 341143815 /nfs/dbraw/zinc/14/38/15/341143815.db2.gz RHUKCEPRUDBAJU-HXUWFJFHSA-N 2 2 305.425 3.984 20 0 DHADLP CC1=CC[N@H+](CC[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000546578414 341173305 /nfs/dbraw/zinc/17/33/05/341173305.db2.gz QNIBPDZYOWSGMX-UHFFFAOYSA-N 2 2 304.865 3.828 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000546578414 341173306 /nfs/dbraw/zinc/17/33/06/341173306.db2.gz QNIBPDZYOWSGMX-UHFFFAOYSA-N 2 2 304.865 3.828 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000564305841 341175911 /nfs/dbraw/zinc/17/59/11/341175911.db2.gz UISRMXGUAAJARX-IBGZPJMESA-N 2 2 302.462 3.604 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000564305841 341175912 /nfs/dbraw/zinc/17/59/12/341175912.db2.gz UISRMXGUAAJARX-IBGZPJMESA-N 2 2 302.462 3.604 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000564305842 341175927 /nfs/dbraw/zinc/17/59/27/341175927.db2.gz UISRMXGUAAJARX-LJQANCHMSA-N 2 2 302.462 3.604 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000564305842 341175928 /nfs/dbraw/zinc/17/59/28/341175928.db2.gz UISRMXGUAAJARX-LJQANCHMSA-N 2 2 302.462 3.604 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3cc[nH]c32)C[N@@H+]1Cc1ccccc1 ZINC000237716854 341218683 /nfs/dbraw/zinc/21/86/83/341218683.db2.gz JTIREOUUTJOUMP-JXFKEZNVSA-N 2 2 319.452 3.921 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3cc[nH]c32)C[N@H+]1Cc1ccccc1 ZINC000237716854 341218684 /nfs/dbraw/zinc/21/86/84/341218684.db2.gz JTIREOUUTJOUMP-JXFKEZNVSA-N 2 2 319.452 3.921 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000547519480 341219993 /nfs/dbraw/zinc/21/99/93/341219993.db2.gz OMNOVPWKZCRGGT-OCCSQVGLSA-N 2 2 323.362 3.989 20 0 DHADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000547519480 341219994 /nfs/dbraw/zinc/21/99/94/341219994.db2.gz OMNOVPWKZCRGGT-OCCSQVGLSA-N 2 2 323.362 3.989 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000135166913 341232548 /nfs/dbraw/zinc/23/25/48/341232548.db2.gz QCFCOABDEGVPQV-SNVBAGLBSA-N 2 2 319.674 3.532 20 0 DHADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000548936185 341281739 /nfs/dbraw/zinc/28/17/39/341281739.db2.gz MPFSDKRKXLPTFT-KRWDZBQOSA-N 2 2 312.885 3.691 20 0 DHADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000548936185 341281740 /nfs/dbraw/zinc/28/17/40/341281740.db2.gz MPFSDKRKXLPTFT-KRWDZBQOSA-N 2 2 312.885 3.691 20 0 DHADLP CC1(C)SC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000549233407 341289252 /nfs/dbraw/zinc/28/92/52/341289252.db2.gz WNTALWYRLARAED-MRXNPFEDSA-N 2 2 324.921 3.788 20 0 DHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c(Cl)cccc3Cl)C2)C1 ZINC000549840373 341304584 /nfs/dbraw/zinc/30/45/84/341304584.db2.gz ICRKSOFCEKZSRB-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c(Cl)cccc3Cl)C2)C1 ZINC000549840373 341304585 /nfs/dbraw/zinc/30/45/85/341304585.db2.gz ICRKSOFCEKZSRB-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c(Cl)cccc3Cl)C2)C1 ZINC000549840373 341304586 /nfs/dbraw/zinc/30/45/86/341304586.db2.gz ICRKSOFCEKZSRB-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c(Cl)cccc3Cl)C2)C1 ZINC000549840373 341304587 /nfs/dbraw/zinc/30/45/87/341304587.db2.gz ICRKSOFCEKZSRB-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP COc1ccc(F)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000550156765 341311435 /nfs/dbraw/zinc/31/14/35/341311435.db2.gz HZFJDFSZBGARNM-UHFFFAOYSA-N 2 2 320.452 3.721 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000245720104 341311851 /nfs/dbraw/zinc/31/18/51/341311851.db2.gz HTCCRZDQMCOEEV-BBRMVZONSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000245720104 341311852 /nfs/dbraw/zinc/31/18/52/341311852.db2.gz HTCCRZDQMCOEEV-BBRMVZONSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000245720104 341311853 /nfs/dbraw/zinc/31/18/53/341311853.db2.gz HTCCRZDQMCOEEV-BBRMVZONSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000245720104 341311854 /nfs/dbraw/zinc/31/18/54/341311854.db2.gz HTCCRZDQMCOEEV-BBRMVZONSA-N 2 2 310.869 3.511 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CCOC2(C)C)c2ccccc2)CC1 ZINC000550621421 341319878 /nfs/dbraw/zinc/31/98/78/341319878.db2.gz BAGWRJLDFUDNIC-RTBURBONSA-N 2 2 316.489 3.617 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000550796032 341323127 /nfs/dbraw/zinc/32/31/27/341323127.db2.gz RAYSXHRSUAXCBR-YSIASYRMSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000550796032 341323128 /nfs/dbraw/zinc/32/31/28/341323128.db2.gz RAYSXHRSUAXCBR-YSIASYRMSA-N 2 2 316.489 3.588 20 0 DHADLP CC1=CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000550887835 341325860 /nfs/dbraw/zinc/32/58/60/341325860.db2.gz USDAJOKPSXDDTH-GOSISDBHSA-N 2 2 302.437 3.879 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@H](C)[C@]2(C)CCCO2)[NH+]2CCCC2)cc1 ZINC000551030649 341329701 /nfs/dbraw/zinc/32/97/01/341329701.db2.gz YGXCRUZKVXRPBJ-HOJAQTOUSA-N 2 2 316.489 3.679 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1COc2ccccc2C1)c1ccccc1 ZINC000551050384 341330152 /nfs/dbraw/zinc/33/01/52/341330152.db2.gz HBHZCKZEQCYOFH-VQIMIIECSA-N 2 2 324.468 3.709 20 0 DHADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H]1Cc1ccccc1 ZINC000551098222 341331662 /nfs/dbraw/zinc/33/16/62/341331662.db2.gz WGUSGGTZTMROMP-WOJBJXKFSA-N 2 2 300.490 3.956 20 0 DHADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H]1Cc1ccccc1 ZINC000551098222 341331663 /nfs/dbraw/zinc/33/16/63/341331663.db2.gz WGUSGGTZTMROMP-WOJBJXKFSA-N 2 2 300.490 3.956 20 0 DHADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000551098222 341331664 /nfs/dbraw/zinc/33/16/64/341331664.db2.gz WGUSGGTZTMROMP-WOJBJXKFSA-N 2 2 300.490 3.956 20 0 DHADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000551098222 341331665 /nfs/dbraw/zinc/33/16/65/341331665.db2.gz WGUSGGTZTMROMP-WOJBJXKFSA-N 2 2 300.490 3.956 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000551241379 341335205 /nfs/dbraw/zinc/33/52/05/341335205.db2.gz LBYVZQCRALZTPH-JVDULTGUSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000551241379 341335206 /nfs/dbraw/zinc/33/52/06/341335206.db2.gz LBYVZQCRALZTPH-JVDULTGUSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551263825 341335921 /nfs/dbraw/zinc/33/59/21/341335921.db2.gz UHUFCBYOHBZLPA-SUMWQHHRSA-N 2 2 300.471 3.516 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cc2ccccc2s1 ZINC000551263825 341335922 /nfs/dbraw/zinc/33/59/22/341335922.db2.gz UHUFCBYOHBZLPA-SUMWQHHRSA-N 2 2 300.471 3.516 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000247256136 341362867 /nfs/dbraw/zinc/36/28/67/341362867.db2.gz YSYUPOGHLUXRAU-HZSPNIEDSA-N 2 2 324.415 3.872 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000247256136 341362868 /nfs/dbraw/zinc/36/28/68/341362868.db2.gz YSYUPOGHLUXRAU-HZSPNIEDSA-N 2 2 324.415 3.872 20 0 DHADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000554088453 341443496 /nfs/dbraw/zinc/44/34/96/341443496.db2.gz KZVGOUUJGLDEDX-ORAYPTAESA-N 2 2 318.436 3.644 20 0 DHADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000554376965 341452459 /nfs/dbraw/zinc/45/24/59/341452459.db2.gz YOOIGGKKVMXTNT-JSGCOSHPSA-N 2 2 300.899 3.750 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C[C@@H]1C ZINC000554934679 341469779 /nfs/dbraw/zinc/46/97/79/341469779.db2.gz AJYZNMJDOHICRI-VNHYZAJKSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)CCCC2 ZINC000152812958 341507158 /nfs/dbraw/zinc/50/71/58/341507158.db2.gz WAEUEUZUNNZSNE-MRXNPFEDSA-N 2 2 323.484 3.992 20 0 DHADLP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)C(C)C)c(F)c1 ZINC000566003856 341545181 /nfs/dbraw/zinc/54/51/81/341545181.db2.gz GLYRYGKKLRVIRY-GOSISDBHSA-N 2 2 319.424 3.798 20 0 DHADLP COc1ccccc1CC(C)(C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000156571101 341623121 /nfs/dbraw/zinc/62/31/21/341623121.db2.gz GPERRELMPFWEHL-UHFFFAOYSA-N 2 2 323.440 3.762 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)n1C ZINC000568273486 341662846 /nfs/dbraw/zinc/66/28/46/341662846.db2.gz SPBYGBXCHRCSIB-UHFFFAOYSA-N 2 2 303.837 3.941 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163301225 341697686 /nfs/dbraw/zinc/69/76/86/341697686.db2.gz HZJIZQJSQCTYGF-CJNGLKHVSA-N 2 2 322.416 3.591 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000580639816 341890485 /nfs/dbraw/zinc/89/04/85/341890485.db2.gz OMBYVAOQXVTNDT-CEXWTWQISA-N 2 2 309.457 3.706 20 0 DHADLP CCOC1CC(CC[NH2+]C2CC[NH+](Cc3cccs3)CC2)C1 ZINC000365066983 521644497 /nfs/dbraw/zinc/64/44/97/521644497.db2.gz UAVHHVWDTVFMIH-UHFFFAOYSA-N 2 2 322.518 3.507 20 0 DHADLP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000154840727 521781542 /nfs/dbraw/zinc/78/15/42/521781542.db2.gz WXBRLFJJCFZRCV-HNNXBMFYSA-N 2 2 322.518 3.560 20 0 DHADLP CCc1nc(C)c([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000162835157 522222153 /nfs/dbraw/zinc/22/21/53/522222153.db2.gz CDEQXMIGATVILC-CYBMUJFWSA-N 2 2 318.490 3.952 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(C2CCCCC2)n1 ZINC000181098638 522805024 /nfs/dbraw/zinc/80/50/24/522805024.db2.gz KPGVGSSEAHBUED-UHFFFAOYSA-N 2 2 318.490 3.909 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(C2CCCCC2)n1 ZINC000181098638 522805032 /nfs/dbraw/zinc/80/50/32/522805032.db2.gz KPGVGSSEAHBUED-UHFFFAOYSA-N 2 2 318.490 3.909 20 0 DHADLP COCCC1(C[NH2+]CCCCNc2cccc[nH+]2)CCCCC1 ZINC000189131646 523062473 /nfs/dbraw/zinc/06/24/73/523062473.db2.gz MZZAMUWGUUOACT-UHFFFAOYSA-N 2 2 319.493 3.850 20 0 DHADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000159221911 523298941 /nfs/dbraw/zinc/29/89/41/523298941.db2.gz QFOCYHQVDSQXLT-HNNXBMFYSA-N 2 2 316.445 3.584 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337325992 524111561 /nfs/dbraw/zinc/11/15/61/524111561.db2.gz CFDBCQKLHXKNCA-ZIFCJYIRSA-N 2 2 301.478 3.572 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337325992 524111571 /nfs/dbraw/zinc/11/15/71/524111571.db2.gz CFDBCQKLHXKNCA-ZIFCJYIRSA-N 2 2 301.478 3.572 20 0 DHADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157350086 524205655 /nfs/dbraw/zinc/20/56/55/524205655.db2.gz NATCCHFKDCADOI-QGZVFWFLSA-N 2 2 322.880 3.799 20 0 DHADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157350086 524205658 /nfs/dbraw/zinc/20/56/58/524205658.db2.gz NATCCHFKDCADOI-QGZVFWFLSA-N 2 2 322.880 3.799 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156166379 524779176 /nfs/dbraw/zinc/77/91/76/524779176.db2.gz PFMHYBHAQHTPJI-AWEZNQCLSA-N 2 2 309.413 3.855 20 0 DHADLP Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267372940 525385753 /nfs/dbraw/zinc/38/57/53/525385753.db2.gz KTTNVSZVVKRPNK-GOSISDBHSA-N 2 2 318.424 3.565 20 0 DHADLP Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267372940 525385760 /nfs/dbraw/zinc/38/57/60/525385760.db2.gz KTTNVSZVVKRPNK-GOSISDBHSA-N 2 2 318.424 3.565 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156374702 525387015 /nfs/dbraw/zinc/38/70/15/525387015.db2.gz HMIRCEMIHPPKFW-YOEHRIQHSA-N 2 2 301.459 3.809 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(SCC(F)F)cc1 ZINC000154519116 525481180 /nfs/dbraw/zinc/48/11/80/525481180.db2.gz OHVKKNPOMKCRJA-OCCSQVGLSA-N 2 2 314.445 3.789 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(SCC(F)F)cc1 ZINC000154519116 525481189 /nfs/dbraw/zinc/48/11/89/525481189.db2.gz OHVKKNPOMKCRJA-OCCSQVGLSA-N 2 2 314.445 3.789 20 0 DHADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)no1 ZINC000337286592 525522304 /nfs/dbraw/zinc/52/23/04/525522304.db2.gz KQSVFYWXTWEFGL-INIZCTEOSA-N 2 2 313.445 3.820 20 0 DHADLP C[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)C(C)(C)c1ccccc1 ZINC000363825685 525543837 /nfs/dbraw/zinc/54/38/37/525543837.db2.gz OSBGHHNOMHZGJA-MRXNPFEDSA-N 2 2 320.440 3.723 20 0 DHADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccccc2o1 ZINC000182070349 525667840 /nfs/dbraw/zinc/66/78/40/525667840.db2.gz OJSKDTLEHANYME-CZUORRHYSA-N 2 2 303.450 3.845 20 0 DHADLP C[C@@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C1CC1 ZINC000179955514 525706875 /nfs/dbraw/zinc/70/68/75/525706875.db2.gz CXHCYJFGRBFPDI-OAHLLOKOSA-N 2 2 301.478 3.675 20 0 DHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cnn1C(C)C ZINC000191205324 525899210 /nfs/dbraw/zinc/89/92/10/525899210.db2.gz FXBNRTLKWMCKSI-OAHLLOKOSA-N 2 2 323.444 3.809 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106162990 526057521 /nfs/dbraw/zinc/05/75/21/526057521.db2.gz VASYOSALTXMLSW-ZDUSSCGKSA-N 2 2 319.399 3.714 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156503440 526057924 /nfs/dbraw/zinc/05/79/24/526057924.db2.gz KWLDHICLVHLHQU-DCGLDWPTSA-N 2 2 305.372 3.805 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156503440 526057931 /nfs/dbraw/zinc/05/79/31/526057931.db2.gz KWLDHICLVHLHQU-DCGLDWPTSA-N 2 2 305.372 3.805 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181071323 526064901 /nfs/dbraw/zinc/06/49/01/526064901.db2.gz YYCJWWFDNXKQRQ-ZDUSSCGKSA-N 2 2 322.250 3.729 20 0 DHADLP C[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181071323 526064909 /nfs/dbraw/zinc/06/49/09/526064909.db2.gz YYCJWWFDNXKQRQ-ZDUSSCGKSA-N 2 2 322.250 3.729 20 0 DHADLP FCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000367601582 526286860 /nfs/dbraw/zinc/28/68/60/526286860.db2.gz ONEZPNGLLUDSMS-NVXWUHKLSA-N 2 2 310.482 3.830 20 0 DHADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000182355185 526369098 /nfs/dbraw/zinc/36/90/98/526369098.db2.gz PSQNNQIMSFCXKJ-GOSISDBHSA-N 2 2 322.387 3.574 20 0 DHADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267381964 526390499 /nfs/dbraw/zinc/39/04/99/526390499.db2.gz AVCLOHFDWUWTJA-LBPRGKRZSA-N 2 2 307.800 3.624 20 0 DHADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267381964 526390501 /nfs/dbraw/zinc/39/05/01/526390501.db2.gz AVCLOHFDWUWTJA-LBPRGKRZSA-N 2 2 307.800 3.624 20 0 DHADLP c1ccc(NCCCC[NH2+][C@H]2CCCOc3ccccc32)[nH+]c1 ZINC000162894681 526481019 /nfs/dbraw/zinc/48/10/19/526481019.db2.gz VXJQJKRVEYSSCW-KRWDZBQOSA-N 2 2 311.429 3.777 20 0 DHADLP c1ccc(NCCCC[NH2+][C@@H]2CCCOc3ccccc32)[nH+]c1 ZINC000162894569 526481047 /nfs/dbraw/zinc/48/10/47/526481047.db2.gz VXJQJKRVEYSSCW-QGZVFWFLSA-N 2 2 311.429 3.777 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ccsc3)cn2)c[nH+]1 ZINC000267411915 526524334 /nfs/dbraw/zinc/52/43/34/526524334.db2.gz RUSXKPJCJBSGAH-MRXNPFEDSA-N 2 2 310.426 3.666 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3c3ccsc3)cn2)c[nH+]1 ZINC000267411915 526524338 /nfs/dbraw/zinc/52/43/38/526524338.db2.gz RUSXKPJCJBSGAH-MRXNPFEDSA-N 2 2 310.426 3.666 20 0 DHADLP c1cn(-c2csc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC000339514713 526527877 /nfs/dbraw/zinc/52/78/77/526527877.db2.gz USUBIFLTWUFEGS-CRAIPNDOSA-N 2 2 309.438 3.827 20 0 DHADLP c1cn(CCC[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c[nH+]1 ZINC000339610170 526531839 /nfs/dbraw/zinc/53/18/39/526531839.db2.gz IFMNHNDHKYQOMC-NRFANRHFSA-N 2 2 317.436 3.921 20 0 DHADLP c1cn(CCC[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c[nH+]1 ZINC000339610170 526531845 /nfs/dbraw/zinc/53/18/45/526531845.db2.gz IFMNHNDHKYQOMC-NRFANRHFSA-N 2 2 317.436 3.921 20 0 DHADLP c1cn(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)c[nH+]1 ZINC000155655598 526533878 /nfs/dbraw/zinc/53/38/78/526533878.db2.gz JKIXUSGPKDBPNT-OAHLLOKOSA-N 2 2 324.453 3.674 20 0 DHADLP c1cncc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC34CCCC4)C2)c1 ZINC000365064447 526545735 /nfs/dbraw/zinc/54/57/35/526545735.db2.gz CPMRFJLEBWNRSW-RBUKOAKNSA-N 2 2 313.489 3.606 20 0 DHADLP c1cncc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC34CCCC4)C2)c1 ZINC000365064447 526545740 /nfs/dbraw/zinc/54/57/40/526545740.db2.gz CPMRFJLEBWNRSW-RBUKOAKNSA-N 2 2 313.489 3.606 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+]3C)cs2)cs1 ZINC000154574141 526562790 /nfs/dbraw/zinc/56/27/90/526562790.db2.gz XXISKBBETLMOMO-SMDDNHRTSA-N 2 2 321.515 3.925 20 0 DHADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@H]3CCC[N@H+]3C)cs2)cs1 ZINC000154574141 526562794 /nfs/dbraw/zinc/56/27/94/526562794.db2.gz XXISKBBETLMOMO-SMDDNHRTSA-N 2 2 321.515 3.925 20 0 DHADLP c1coc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc2)c1 ZINC000364930323 526569123 /nfs/dbraw/zinc/56/91/23/526569123.db2.gz GGGGRWNQFRHXGN-FQEVSTJZSA-N 2 2 321.424 3.734 20 0 DHADLP Cc1sccc1C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000339238320 526918617 /nfs/dbraw/zinc/91/86/17/526918617.db2.gz MCOQTTSPDJYPJK-RDTXWAMCSA-N 2 2 300.471 3.982 20 0 DHADLP Cc1sccc1C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000339238320 526918623 /nfs/dbraw/zinc/91/86/23/526918623.db2.gz MCOQTTSPDJYPJK-RDTXWAMCSA-N 2 2 300.471 3.982 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152814865 526964080 /nfs/dbraw/zinc/96/40/80/526964080.db2.gz PVSBABLEAFVZEY-KRWDZBQOSA-N 2 2 315.848 3.692 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)CCC3CC3)[C@@H](C)C2)s1 ZINC000364225706 527260553 /nfs/dbraw/zinc/26/05/53/527260553.db2.gz HQVGAKNUOXJUTQ-DEYYWGMASA-N 2 2 321.534 3.830 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)CCC3CC3)[C@@H](C)C2)s1 ZINC000364225706 527260559 /nfs/dbraw/zinc/26/05/59/527260559.db2.gz HQVGAKNUOXJUTQ-DEYYWGMASA-N 2 2 321.534 3.830 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000365652160 527468325 /nfs/dbraw/zinc/46/83/25/527468325.db2.gz ZDACWKMGNLZMNZ-AWEZNQCLSA-N 2 2 323.362 3.819 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000365652160 527468330 /nfs/dbraw/zinc/46/83/30/527468330.db2.gz ZDACWKMGNLZMNZ-AWEZNQCLSA-N 2 2 323.362 3.819 20 0 DHADLP FC(F)(F)c1cc[nH+]c(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000267407262 527688168 /nfs/dbraw/zinc/68/81/68/527688168.db2.gz QUTIWNFRPXVPRP-CQSZACIVSA-N 2 2 313.367 3.555 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285215656 535263494 /nfs/dbraw/zinc/26/34/94/535263494.db2.gz XGCWGKWUDDUBEU-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285215656 535263498 /nfs/dbraw/zinc/26/34/98/535263498.db2.gz XGCWGKWUDDUBEU-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285215656 535263502 /nfs/dbraw/zinc/26/35/02/535263502.db2.gz XGCWGKWUDDUBEU-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000285215656 535263507 /nfs/dbraw/zinc/26/35/07/535263507.db2.gz XGCWGKWUDDUBEU-INIZCTEOSA-N 2 2 313.445 3.505 20 0 DHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cc(C)on1 ZINC000284108042 535612020 /nfs/dbraw/zinc/61/20/20/535612020.db2.gz NCRQZDVLJXMYHS-OAHLLOKOSA-N 2 2 301.434 3.676 20 0 DHADLP CCc1cnc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340257623 536054516 /nfs/dbraw/zinc/05/45/16/536054516.db2.gz YWZAXQXDOHGSLW-RDJZCZTQSA-N 2 2 315.486 3.631 20 0 DHADLP CCc1cnc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340257623 536054519 /nfs/dbraw/zinc/05/45/19/536054519.db2.gz YWZAXQXDOHGSLW-RDJZCZTQSA-N 2 2 315.486 3.631 20 0 DHADLP C[NH+](C)CC1CCN(c2[nH+]ccc3cc(Cl)ccc32)CC1 ZINC001165042459 721944507 /nfs/dbraw/zinc/94/45/07/721944507.db2.gz RZJZZEBMQITJEZ-UHFFFAOYSA-N 2 2 303.837 3.666 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000339905783 1013051954 /nfs/dbraw/zinc/05/19/54/1013051954.db2.gz DDBYGJMKWMELOY-LLVKDONJSA-N 2 2 310.228 3.716 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000339905783 1013051940 /nfs/dbraw/zinc/05/19/40/1013051940.db2.gz DDBYGJMKWMELOY-LLVKDONJSA-N 2 2 310.228 3.716 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Oc2ccccc2)cn1 ZINC000295984540 1013194151 /nfs/dbraw/zinc/19/41/51/1013194151.db2.gz NICDDUAVOGHTPN-INIZCTEOSA-N 2 2 322.412 3.811 20 0 DHADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000163798662 1013215740 /nfs/dbraw/zinc/21/57/40/1013215740.db2.gz MKQAPGNWVVHLGB-QGZVFWFLSA-N 2 2 311.429 3.696 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000038098226 1013341418 /nfs/dbraw/zinc/34/14/18/1013341418.db2.gz DNLWNBYSWKSABG-OAHLLOKOSA-N 2 2 300.368 3.754 20 0 DHADLP Cc1cc[nH+]c(N)c1CNc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000894413664 1013347159 /nfs/dbraw/zinc/34/71/59/1013347159.db2.gz JYVOYTMRRLOZCA-UHFFFAOYSA-N 2 2 323.444 3.769 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(F)c(Cl)cc1Cl ZINC000388674896 1013390108 /nfs/dbraw/zinc/39/01/08/1013390108.db2.gz QTUYVLCQOMEMFU-VHSXEESVSA-N 2 2 307.240 3.981 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894565387 1013420648 /nfs/dbraw/zinc/42/06/48/1013420648.db2.gz FZTKEYGHIPBFOB-ZDUSSCGKSA-N 2 2 323.893 3.866 20 0 DHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894565387 1013420650 /nfs/dbraw/zinc/42/06/50/1013420650.db2.gz FZTKEYGHIPBFOB-ZDUSSCGKSA-N 2 2 323.893 3.866 20 0 DHADLP Cc1cc([C@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)no1 ZINC001167985558 1013524982 /nfs/dbraw/zinc/52/49/82/1013524982.db2.gz YHUXENQRUAUUOI-SUTQANCOSA-N 2 2 315.461 3.525 20 0 DHADLP Cc1cc([C@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)no1 ZINC001167985558 1013524986 /nfs/dbraw/zinc/52/49/86/1013524986.db2.gz YHUXENQRUAUUOI-SUTQANCOSA-N 2 2 315.461 3.525 20 0 DHADLP Cc1cc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)no1 ZINC001167985558 1013524992 /nfs/dbraw/zinc/52/49/92/1013524992.db2.gz YHUXENQRUAUUOI-SUTQANCOSA-N 2 2 315.461 3.525 20 0 DHADLP Cc1cc([C@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)no1 ZINC001167985558 1013524999 /nfs/dbraw/zinc/52/49/99/1013524999.db2.gz YHUXENQRUAUUOI-SUTQANCOSA-N 2 2 315.461 3.525 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC[C@H]2CCC[NH+]2C)C2CC2)o1 ZINC000340368417 1013526012 /nfs/dbraw/zinc/52/60/12/1013526012.db2.gz FZNUSQQJWAXYNL-RKVPGOIHSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC[C@H]2CCC[NH+]2C)C2CC2)o1 ZINC000340368417 1013526015 /nfs/dbraw/zinc/52/60/15/1013526015.db2.gz FZNUSQQJWAXYNL-RKVPGOIHSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](CC[C@H]2CCC[N@@H+]2C)C2CC2)o1 ZINC000340368417 1013526016 /nfs/dbraw/zinc/52/60/16/1013526016.db2.gz FZNUSQQJWAXYNL-RKVPGOIHSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+](CC[C@H]2CCC[N@H+]2C)C2CC2)o1 ZINC000340368417 1013526018 /nfs/dbraw/zinc/52/60/18/1013526018.db2.gz FZNUSQQJWAXYNL-RKVPGOIHSA-N 2 2 302.462 3.852 20 0 DHADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCSc1cc(Cl)ccc1Cl ZINC000124633244 1013543825 /nfs/dbraw/zinc/54/38/25/1013543825.db2.gz STYKITXNPYKWHA-PWSUYJOCSA-N 2 2 319.301 3.897 20 0 DHADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCSc1cc(Cl)ccc1Cl ZINC000124633244 1013543834 /nfs/dbraw/zinc/54/38/34/1013543834.db2.gz STYKITXNPYKWHA-PWSUYJOCSA-N 2 2 319.301 3.897 20 0 DHADLP CC(C)c1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655681082 1013635122 /nfs/dbraw/zinc/63/51/22/1013635122.db2.gz ZLHAZZAWDGFWGU-JXFKEZNVSA-N 2 2 316.489 3.714 20 0 DHADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655708990 1013656092 /nfs/dbraw/zinc/65/60/92/1013656092.db2.gz RCMRFTXYARJSDD-RTBURBONSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)cc1 ZINC000655847891 1013773113 /nfs/dbraw/zinc/77/31/13/1013773113.db2.gz FDNDJPDXDYNDDU-PWIZWCRZSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)cc1 ZINC000655847891 1013773118 /nfs/dbraw/zinc/77/31/18/1013773118.db2.gz FDNDJPDXDYNDDU-PWIZWCRZSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)cc1 ZINC000655847892 1013773695 /nfs/dbraw/zinc/77/36/95/1013773695.db2.gz FDNDJPDXDYNDDU-VDGAXYAQSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)cc1 ZINC000655847892 1013773699 /nfs/dbraw/zinc/77/36/99/1013773699.db2.gz FDNDJPDXDYNDDU-VDGAXYAQSA-N 2 2 324.472 3.540 20 0 DHADLP C[N@H+](Cc1ccc(Cl)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994961 1013778938 /nfs/dbraw/zinc/77/89/38/1013778938.db2.gz RPHMVNBVNIMPBY-SJPCQFCGSA-N 2 2 319.880 3.572 20 0 DHADLP C[N@@H+](Cc1ccc(Cl)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994961 1013778944 /nfs/dbraw/zinc/77/89/44/1013778944.db2.gz RPHMVNBVNIMPBY-SJPCQFCGSA-N 2 2 319.880 3.572 20 0 DHADLP C[NH+](Cc1ccc(Cl)nc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994961 1013778950 /nfs/dbraw/zinc/77/89/50/1013778950.db2.gz RPHMVNBVNIMPBY-SJPCQFCGSA-N 2 2 319.880 3.572 20 0 DHADLP C[NH+](Cc1ccc(Cl)nc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994961 1013778955 /nfs/dbraw/zinc/77/89/55/1013778955.db2.gz RPHMVNBVNIMPBY-SJPCQFCGSA-N 2 2 319.880 3.572 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(OC(F)F)c1 ZINC000655848887 1013779520 /nfs/dbraw/zinc/77/95/20/1013779520.db2.gz LAGPGKUOPSOTBK-XKQJLSEDSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(OC(F)F)c1 ZINC000655848887 1013779528 /nfs/dbraw/zinc/77/95/28/1013779528.db2.gz LAGPGKUOPSOTBK-XKQJLSEDSA-N 2 2 324.415 3.956 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2cccnc12 ZINC000655856043 1013786484 /nfs/dbraw/zinc/78/64/84/1013786484.db2.gz LDEWVHXVRKBIMM-OALUTQOASA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc2cccnc12 ZINC000655856043 1013786487 /nfs/dbraw/zinc/78/64/87/1013786487.db2.gz LDEWVHXVRKBIMM-OALUTQOASA-N 2 2 309.457 3.650 20 0 DHADLP C[C@@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H]1c1ccccc1 ZINC000340445911 1013802070 /nfs/dbraw/zinc/80/20/70/1013802070.db2.gz VSAPVIJXGFQFKQ-FPOVZHCZSA-N 2 2 321.468 3.834 20 0 DHADLP Cc1cc(C)nc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001167326367 1013885135 /nfs/dbraw/zinc/88/51/35/1013885135.db2.gz LJLJHKVIPBTJCJ-IBGZPJMESA-N 2 2 315.505 3.786 20 0 DHADLP Cc1cc(C)nc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001167326367 1013885141 /nfs/dbraw/zinc/88/51/41/1013885141.db2.gz LJLJHKVIPBTJCJ-IBGZPJMESA-N 2 2 315.505 3.786 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cc(Br)cs2)c2ccccc21 ZINC000132123983 1014261852 /nfs/dbraw/zinc/26/18/52/1014261852.db2.gz YWAKVZMKXNNCCE-KGLIPLIRSA-N 2 2 323.259 3.745 20 0 DHADLP C[C@H](CCC(F)(F)F)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110424 1014434579 /nfs/dbraw/zinc/43/45/79/1014434579.db2.gz LIOFQBRPBDIISD-MGPQQGTHSA-N 2 2 315.383 3.889 20 0 DHADLP [NH3+][C@H]1CC[C@H](N(Cc2cccc3[nH]ccc32)c2cccc[nH+]2)CC1 ZINC000895111049 1014438734 /nfs/dbraw/zinc/43/87/34/1014438734.db2.gz JJBOMLLYZYZDAH-QAQDUYKDSA-N 2 2 320.440 3.839 20 0 DHADLP Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000349360310 1014478402 /nfs/dbraw/zinc/47/84/02/1014478402.db2.gz ACSTUDMFAFREFA-UHFFFAOYSA-N 2 2 303.475 3.945 20 0 DHADLP Cc1oncc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009127 1014482514 /nfs/dbraw/zinc/48/25/14/1014482514.db2.gz YRCQDSHFTFTEPV-CCWDJLKJSA-N 2 2 313.445 3.514 20 0 DHADLP Cc1oncc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009127 1014482519 /nfs/dbraw/zinc/48/25/19/1014482519.db2.gz YRCQDSHFTFTEPV-CCWDJLKJSA-N 2 2 313.445 3.514 20 0 DHADLP CCO[C@@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895132729 1014516282 /nfs/dbraw/zinc/51/62/82/1014516282.db2.gz ZAUUGZPHFLMZJG-BRSBDYLESA-N 2 2 317.477 3.506 20 0 DHADLP CC[NH+](CC)CCSCc1ccc(-n2cc[nH+]c2)cc1C ZINC000427805413 1014532108 /nfs/dbraw/zinc/53/21/08/1014532108.db2.gz PARXQOOQEURQJL-UHFFFAOYSA-N 2 2 303.475 3.756 20 0 DHADLP Cc1cc2cc([C@@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)oc2cc1C ZINC000427861983 1014541441 /nfs/dbraw/zinc/54/14/41/1014541441.db2.gz UWEMDOIAZAEAFS-ZBFHGGJFSA-N 2 2 309.413 3.912 20 0 DHADLP Cc1cc2cc([C@@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)oc2cc1C ZINC000427861976 1014542197 /nfs/dbraw/zinc/54/21/97/1014542197.db2.gz UWEMDOIAZAEAFS-GDBMZVCRSA-N 2 2 309.413 3.912 20 0 DHADLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1 ZINC000427866780 1014544114 /nfs/dbraw/zinc/54/41/14/1014544114.db2.gz MIJKSUYRJAOWCW-HOTGVXAUSA-N 2 2 303.837 3.982 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1Br ZINC000665248816 1014547134 /nfs/dbraw/zinc/54/71/34/1014547134.db2.gz CXVZBUKSHDYVRS-JTQLQIEISA-N 2 2 315.230 3.510 20 0 DHADLP Clc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000427881576 1014548988 /nfs/dbraw/zinc/54/89/88/1014548988.db2.gz ZTXRTCBLIZVZEO-NVXWUHKLSA-N 2 2 301.821 3.592 20 0 DHADLP Oc1cccc2c1CCC[C@H]2[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252108 1014563332 /nfs/dbraw/zinc/56/33/32/1014563332.db2.gz GZHHXPIZFAOTAM-NSISKUIASA-N 2 2 322.452 3.505 20 0 DHADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OCc2ccccc2)cc1 ZINC000665277203 1014646598 /nfs/dbraw/zinc/64/65/98/1014646598.db2.gz WOCDOLQQWVLYQJ-SRWJYRBRSA-N 2 2 322.452 3.668 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043621 1014815307 /nfs/dbraw/zinc/81/53/07/1014815307.db2.gz MTYDVIHGIXIBJW-GDBMZVCRSA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043621 1014815315 /nfs/dbraw/zinc/81/53/15/1014815315.db2.gz MTYDVIHGIXIBJW-GDBMZVCRSA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043621 1014815322 /nfs/dbraw/zinc/81/53/22/1014815322.db2.gz MTYDVIHGIXIBJW-GDBMZVCRSA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043621 1014815327 /nfs/dbraw/zinc/81/53/27/1014815327.db2.gz MTYDVIHGIXIBJW-GDBMZVCRSA-N 2 2 324.415 3.513 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cnccn1 ZINC001168019673 1014956984 /nfs/dbraw/zinc/95/69/84/1014956984.db2.gz JJBKJZTWYAKZEP-SFNKJDCFSA-N 2 2 324.472 3.569 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cnccn1 ZINC001168019673 1014956990 /nfs/dbraw/zinc/95/69/90/1014956990.db2.gz JJBKJZTWYAKZEP-SFNKJDCFSA-N 2 2 324.472 3.569 20 0 DHADLP CC(C)c1cc(N2CC[C@H](CC[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000895325985 1015058274 /nfs/dbraw/zinc/05/82/74/1015058274.db2.gz XIILWQRGGDWJQH-HNNXBMFYSA-N 2 2 304.482 3.501 20 0 DHADLP Cc1ccncc1CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895705743 1015265714 /nfs/dbraw/zinc/26/57/14/1015265714.db2.gz FPTFQYUCXVLETD-FQEVSTJZSA-N 2 2 320.440 3.550 20 0 DHADLP C[C@@H](CC1CCC1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000684411569 1015291066 /nfs/dbraw/zinc/29/10/66/1015291066.db2.gz YXOCPOVGVFPFGS-JQRITLKVSA-N 2 2 318.427 3.960 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)CC1 ZINC000115610445 1015350187 /nfs/dbraw/zinc/35/01/87/1015350187.db2.gz NCIFHVPGWQKJET-UHFFFAOYSA-N 2 2 316.420 3.968 20 0 DHADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000474473917 1015387408 /nfs/dbraw/zinc/38/74/08/1015387408.db2.gz QVHXROFSKFLZET-IRXDYDNUSA-N 2 2 303.494 3.956 20 0 DHADLP CC[NH+](CC)Cc1cccc(CNc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000341475042 1015415392 /nfs/dbraw/zinc/41/53/92/1015415392.db2.gz IMPHGPFHFPXIHT-UHFFFAOYSA-N 2 2 324.472 4.116 20 0 DHADLP Cc1cnccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294688845 1032116850 /nfs/dbraw/zinc/11/68/50/1032116850.db2.gz DOBLVCBFURJCAR-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cnccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294688845 1032116856 /nfs/dbraw/zinc/11/68/56/1032116856.db2.gz DOBLVCBFURJCAR-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cnccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000294688845 1032116865 /nfs/dbraw/zinc/11/68/65/1032116865.db2.gz DOBLVCBFURJCAR-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cnccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000294688845 1032116870 /nfs/dbraw/zinc/11/68/70/1032116870.db2.gz DOBLVCBFURJCAR-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474712644 1015561049 /nfs/dbraw/zinc/56/10/49/1015561049.db2.gz NWGKTFZEEKVBAZ-SOLBZPMBSA-N 2 2 304.478 3.651 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000474712644 1015561058 /nfs/dbraw/zinc/56/10/58/1015561058.db2.gz NWGKTFZEEKVBAZ-SOLBZPMBSA-N 2 2 304.478 3.651 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCS1 ZINC000361839011 1032122368 /nfs/dbraw/zinc/12/23/68/1032122368.db2.gz WTYJGWSKHANGBA-QGZVFWFLSA-N 2 2 301.459 3.508 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCS1 ZINC000361839011 1032122376 /nfs/dbraw/zinc/12/23/76/1032122376.db2.gz WTYJGWSKHANGBA-QGZVFWFLSA-N 2 2 301.459 3.508 20 0 DHADLP CCSC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001173298122 1033655429 /nfs/dbraw/zinc/65/54/29/1033655429.db2.gz JWPIREXBNOFZMJ-OAHLLOKOSA-N 2 2 324.509 3.830 20 0 DHADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000684559934 1015743471 /nfs/dbraw/zinc/74/34/71/1015743471.db2.gz BDOGJHDJMFGSEM-WTNGLUPJSA-N 2 2 306.400 3.559 20 0 DHADLP C[C@H]([NH2+]CCSC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178419185 1015759958 /nfs/dbraw/zinc/75/99/58/1015759958.db2.gz IDYGIZYHWSTUKF-NSHDSACASA-N 2 2 315.364 3.776 20 0 DHADLP c1cn(-c2ccccc2C[NH2+][C@@H](c2cccnc2)C2CCC2)c[nH+]1 ZINC000280917272 1015809958 /nfs/dbraw/zinc/80/99/58/1015809958.db2.gz QVHZAYJTVCYJSD-HXUWFJFHSA-N 2 2 318.424 3.898 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000281171754 1015843080 /nfs/dbraw/zinc/84/30/80/1015843080.db2.gz QTOZJZLIKSQLCZ-ZIAGYGMSSA-N 2 2 305.372 3.958 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ccc(OC(C)C)cc1)C2 ZINC000151020111 1016012262 /nfs/dbraw/zinc/01/22/62/1016012262.db2.gz DGEWJXBQHXBSSY-NVXWUHKLSA-N 2 2 313.445 3.644 20 0 DHADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CS1 ZINC000277240825 1016094361 /nfs/dbraw/zinc/09/43/61/1016094361.db2.gz NCQWZLCDHMRURI-QZTJIDSGSA-N 2 2 315.486 3.551 20 0 DHADLP CC[NH+](CC)Cc1ccccc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000346644685 1016479726 /nfs/dbraw/zinc/47/97/26/1016479726.db2.gz BKLHEKLSPUXXLN-UHFFFAOYSA-N 2 2 324.472 4.116 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000346669463 1016501405 /nfs/dbraw/zinc/50/14/05/1016501405.db2.gz GHSYZSZNAWYMHQ-IBGZPJMESA-N 2 2 315.436 3.693 20 0 DHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000346669463 1016501415 /nfs/dbraw/zinc/50/14/15/1016501415.db2.gz GHSYZSZNAWYMHQ-IBGZPJMESA-N 2 2 315.436 3.693 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000073051478 1016832506 /nfs/dbraw/zinc/83/25/06/1016832506.db2.gz NTLMPWKUPFYTJJ-UHFFFAOYSA-N 2 2 316.367 3.549 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccc(F)c3F)CCCC2)n1C ZINC000657447267 1016851075 /nfs/dbraw/zinc/85/10/75/1016851075.db2.gz OWKRUCQULKPMPW-UHFFFAOYSA-N 2 2 319.399 3.608 20 0 DHADLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185384395 1016890895 /nfs/dbraw/zinc/89/08/95/1016890895.db2.gz KPZIDOIVUYYBQX-CYBMUJFWSA-N 2 2 308.853 3.737 20 0 DHADLP C[C@@H]1CC([N@@H+]2CCOCC2(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053560 1016928998 /nfs/dbraw/zinc/92/89/98/1016928998.db2.gz PEKQNJPPPQNVEM-IAGOWNOFSA-N 2 2 316.489 3.539 20 0 DHADLP C[C@@H]1CC([N@H+]2CCOCC2(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053560 1016929011 /nfs/dbraw/zinc/92/90/11/1016929011.db2.gz PEKQNJPPPQNVEM-IAGOWNOFSA-N 2 2 316.489 3.539 20 0 DHADLP CC(C)[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623342054 1016973519 /nfs/dbraw/zinc/97/35/19/1016973519.db2.gz DDZFWOORLKJMLF-UHFFFAOYSA-N 2 2 306.397 3.729 20 0 DHADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1F ZINC000152785611 1017008740 /nfs/dbraw/zinc/00/87/40/1017008740.db2.gz FYBZYDCUYMRFNS-QGZVFWFLSA-N 2 2 319.399 3.781 20 0 DHADLP c1[nH+]c2n(c1CNc1ccc3c(c1)[nH+]c1n3CCCCC1)CCC2 ZINC000657489392 1017014719 /nfs/dbraw/zinc/01/47/19/1017014719.db2.gz OABKSKDMTSUJSB-UHFFFAOYSA-N 2 2 321.428 3.518 20 0 DHADLP CC[N@H+](C)C1CC[NH+](Cc2c(C)onc2-c2ccccc2)CC1 ZINC001141992349 1017027496 /nfs/dbraw/zinc/02/74/96/1017027496.db2.gz LWARHCDBSATJHY-UHFFFAOYSA-N 2 2 313.445 3.566 20 0 DHADLP CC[N@@H+](C)C1CC[NH+](Cc2c(C)onc2-c2ccccc2)CC1 ZINC001141992349 1017027506 /nfs/dbraw/zinc/02/75/06/1017027506.db2.gz LWARHCDBSATJHY-UHFFFAOYSA-N 2 2 313.445 3.566 20 0 DHADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000623435439 1017045656 /nfs/dbraw/zinc/04/56/56/1017045656.db2.gz DXUAEAVEDQRJCP-QZHFEQFPSA-N 2 2 309.457 3.728 20 0 DHADLP C[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1cc(F)cc(F)c1 ZINC000294972567 1032230627 /nfs/dbraw/zinc/23/06/27/1032230627.db2.gz WXUVFSXSRUUEQN-ZDUSSCGKSA-N 2 2 305.372 3.602 20 0 DHADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001146987491 1032264405 /nfs/dbraw/zinc/26/44/05/1032264405.db2.gz UYYSVWLRUHFMFN-QWHCGFSZSA-N 2 2 314.433 3.833 20 0 DHADLP Cc1cc([NH+]2CCCCC2)ccc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171327908 1032378731 /nfs/dbraw/zinc/37/87/31/1032378731.db2.gz PLEAHANXCSGHCJ-UHFFFAOYSA-N 2 2 320.440 3.783 20 0 DHADLP CC(C)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090234512 1032392823 /nfs/dbraw/zinc/39/28/23/1032392823.db2.gz DXAUAKOCRNYENE-HKUYNNGSSA-N 2 2 315.505 3.708 20 0 DHADLP CC(C)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090234512 1032392824 /nfs/dbraw/zinc/39/28/24/1032392824.db2.gz DXAUAKOCRNYENE-HKUYNNGSSA-N 2 2 315.505 3.708 20 0 DHADLP c1ccc(-c2[nH]c3ccc(NC[C@@H]4CCCC[NH2+]4)cc3[nH+]2)cc1 ZINC001171333051 1032413805 /nfs/dbraw/zinc/41/38/05/1032413805.db2.gz AGJWNTMTAWUPEZ-INIZCTEOSA-N 2 2 306.413 3.784 20 0 DHADLP COc1ccccc1[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCCC1 ZINC000091261926 1032438433 /nfs/dbraw/zinc/43/84/33/1032438433.db2.gz TVZSLTHHEKEGIK-IBGZPJMESA-N 2 2 313.445 3.803 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091261398 1032439180 /nfs/dbraw/zinc/43/91/80/1032439180.db2.gz HRPRAGGGAIEIKD-ZDUSSCGKSA-N 2 2 322.884 3.609 20 0 DHADLP CCc1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000121361490 1032442797 /nfs/dbraw/zinc/44/27/97/1032442797.db2.gz BBAGSMGZBOKLPV-INIZCTEOSA-N 2 2 309.457 3.964 20 0 DHADLP COCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000093016547 1032521136 /nfs/dbraw/zinc/52/11/36/1032521136.db2.gz AUZCIKNNDUHJAU-KRWDZBQOSA-N 2 2 320.477 3.514 20 0 DHADLP COCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000093016547 1032521141 /nfs/dbraw/zinc/52/11/41/1032521141.db2.gz AUZCIKNNDUHJAU-KRWDZBQOSA-N 2 2 320.477 3.514 20 0 DHADLP CC(C)c1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683404 1032550178 /nfs/dbraw/zinc/55/01/78/1032550178.db2.gz LPZZMESFBZTGJJ-OAHLLOKOSA-N 2 2 307.507 3.574 20 0 DHADLP CC(C)c1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683404 1032550181 /nfs/dbraw/zinc/55/01/81/1032550181.db2.gz LPZZMESFBZTGJJ-OAHLLOKOSA-N 2 2 307.507 3.574 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000424257471 1011950951 /nfs/dbraw/zinc/95/09/51/1011950951.db2.gz KLHXRXIBOVTSAL-GFCCVEGCSA-N 2 2 308.853 3.626 20 0 DHADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000035014932 1011966327 /nfs/dbraw/zinc/96/63/27/1011966327.db2.gz YPMBXZFTXCFWFG-UHFFFAOYSA-N 2 2 318.433 3.698 20 0 DHADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1sccc1Br ZINC000514855215 1012467536 /nfs/dbraw/zinc/46/75/36/1012467536.db2.gz RSCVZFNXDFFYFK-CABZTGNLSA-N 2 2 317.296 3.679 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000537696315 1032676575 /nfs/dbraw/zinc/67/65/75/1032676575.db2.gz GYSSHABFSGTNKA-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000537696315 1032676583 /nfs/dbraw/zinc/67/65/83/1032676583.db2.gz GYSSHABFSGTNKA-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000537696315 1032676595 /nfs/dbraw/zinc/67/65/95/1032676595.db2.gz GYSSHABFSGTNKA-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000537696315 1032676606 /nfs/dbraw/zinc/67/66/06/1032676606.db2.gz GYSSHABFSGTNKA-KBXCAEBGSA-N 2 2 322.855 3.928 20 0 DHADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000623656919 1017156951 /nfs/dbraw/zinc/15/69/51/1017156951.db2.gz FQKMSUSMPHNRLU-HNNXBMFYSA-N 2 2 315.486 3.632 20 0 DHADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ncc(-c3ccccc3)s2)C1 ZINC000623656919 1017156952 /nfs/dbraw/zinc/15/69/52/1017156952.db2.gz FQKMSUSMPHNRLU-HNNXBMFYSA-N 2 2 315.486 3.632 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657526422 1017175277 /nfs/dbraw/zinc/17/52/77/1017175277.db2.gz GXIUZPFPULIYCW-KVVHSQDJSA-N 2 2 316.489 3.699 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657526422 1017175285 /nfs/dbraw/zinc/17/52/85/1017175285.db2.gz GXIUZPFPULIYCW-KVVHSQDJSA-N 2 2 316.489 3.699 20 0 DHADLP CCCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000179670728 1017281747 /nfs/dbraw/zinc/28/17/47/1017281747.db2.gz ITSSPXADLGEBEE-GOSISDBHSA-N 2 2 301.434 3.803 20 0 DHADLP Clc1cccc(C2([NH2+]CCCn3cc[nH+]c3)CCCC2)c1 ZINC000179676030 1017285072 /nfs/dbraw/zinc/28/50/72/1017285072.db2.gz YRDPJVGBEFKLJT-UHFFFAOYSA-N 2 2 303.837 3.986 20 0 DHADLP C[C@@H]1C[C@@H]1[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000180030995 1017354893 /nfs/dbraw/zinc/35/48/93/1017354893.db2.gz IKLZUVCUHZMMKB-XOKHGSTOSA-N 2 2 303.837 3.914 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000076004041 1017359355 /nfs/dbraw/zinc/35/93/55/1017359355.db2.gz WVIMCBOVJWCKIV-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000076004041 1017359367 /nfs/dbraw/zinc/35/93/67/1017359367.db2.gz WVIMCBOVJWCKIV-MRXNPFEDSA-N 2 2 313.445 3.505 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CS1 ZINC000655717741 1017365028 /nfs/dbraw/zinc/36/50/28/1017365028.db2.gz IKLDJCLAAYLLPE-DJIMGWMZSA-N 2 2 315.486 3.578 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623861076 1017538281 /nfs/dbraw/zinc/53/82/81/1017538281.db2.gz NXOFUCOBZBTQJM-MNOVXSKESA-N 2 2 315.314 3.780 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000623957485 1017606632 /nfs/dbraw/zinc/60/66/32/1017606632.db2.gz LBNKLAQGDVCXPC-KKUMJFAQSA-N 2 2 307.507 3.755 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000623957485 1017606639 /nfs/dbraw/zinc/60/66/39/1017606639.db2.gz LBNKLAQGDVCXPC-KKUMJFAQSA-N 2 2 307.507 3.755 20 0 DHADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCCCO1 ZINC000623990648 1017622621 /nfs/dbraw/zinc/62/26/21/1017622621.db2.gz IKVOZYISSVBPMP-SUMWQHHRSA-N 2 2 319.836 3.573 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000657693370 1017800666 /nfs/dbraw/zinc/80/06/66/1017800666.db2.gz AVAHDYUDQPRJHK-CMKODMSKSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000657693372 1017803815 /nfs/dbraw/zinc/80/38/15/1017803815.db2.gz AVAHDYUDQPRJHK-NSHGMRRFSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Cl)cc2c1OCC2 ZINC000897339827 1017854470 /nfs/dbraw/zinc/85/44/70/1017854470.db2.gz OQXCMJYSBUCYHK-RJPYNODJSA-N 2 2 320.864 3.551 20 0 DHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Cl)cc2c1OCC2 ZINC000897339827 1017854487 /nfs/dbraw/zinc/85/44/87/1017854487.db2.gz OQXCMJYSBUCYHK-RJPYNODJSA-N 2 2 320.864 3.551 20 0 DHADLP c1coc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccs2)c1 ZINC000182616132 1017933222 /nfs/dbraw/zinc/93/32/22/1017933222.db2.gz ZYXZXMHRDNAUPB-UHFFFAOYSA-N 2 2 301.415 3.630 20 0 DHADLP c1coc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccs2)c1 ZINC000182616132 1017933242 /nfs/dbraw/zinc/93/32/42/1017933242.db2.gz ZYXZXMHRDNAUPB-UHFFFAOYSA-N 2 2 301.415 3.630 20 0 DHADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000261819616 1018046507 /nfs/dbraw/zinc/04/65/07/1018046507.db2.gz SFTDGGKHDUSZLZ-DLBZAZTESA-N 2 2 320.358 3.632 20 0 DHADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000261819616 1018046523 /nfs/dbraw/zinc/04/65/23/1018046523.db2.gz SFTDGGKHDUSZLZ-DLBZAZTESA-N 2 2 320.358 3.632 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001172874756 1033445164 /nfs/dbraw/zinc/44/51/64/1033445164.db2.gz DJLXDIHXXUXQQH-CYBMUJFWSA-N 2 2 312.910 3.847 20 0 DHADLP C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001172874756 1033445170 /nfs/dbraw/zinc/44/51/70/1033445170.db2.gz DJLXDIHXXUXQQH-CYBMUJFWSA-N 2 2 312.910 3.847 20 0 DHADLP CC(C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCCO1 ZINC000675156408 1018278883 /nfs/dbraw/zinc/27/88/83/1018278883.db2.gz OWGAKPLPEFKAOG-GOSISDBHSA-N 2 2 313.445 3.557 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CC1(C)C ZINC000785478646 1018478541 /nfs/dbraw/zinc/47/85/41/1018478541.db2.gz XWSBJOZILBGVRS-KXBFYZLASA-N 2 2 315.505 3.746 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1F ZINC000262331271 1018512324 /nfs/dbraw/zinc/51/23/24/1018512324.db2.gz SMHOJXNHBLPLDV-GOPGUHFVSA-N 2 2 300.377 3.630 20 0 DHADLP C[C@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)[C@H]1CC[NH3+] ZINC000650711327 1018538029 /nfs/dbraw/zinc/53/80/29/1018538029.db2.gz PTCOCTARZIQPFJ-JSGCOSHPSA-N 2 2 321.515 3.821 20 0 DHADLP C[C@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)[C@H]1CC[NH3+] ZINC000650711327 1018538040 /nfs/dbraw/zinc/53/80/40/1018538040.db2.gz PTCOCTARZIQPFJ-JSGCOSHPSA-N 2 2 321.515 3.821 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cccnc2)CC1 ZINC000675812756 1018600238 /nfs/dbraw/zinc/60/02/38/1018600238.db2.gz XWOHEJOSLDPZCY-FQEVSTJZSA-N 2 2 309.457 3.635 20 0 DHADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cncs1 ZINC000675923540 1018626639 /nfs/dbraw/zinc/62/66/39/1018626639.db2.gz SRRIXJIIOQDMGR-UKRRQHHQSA-N 2 2 312.442 3.511 20 0 DHADLP c1ccc2cc(OCC[NH+]3CCC([NH2+]CC4CC4)CC3)ccc2c1 ZINC000261652182 1018736075 /nfs/dbraw/zinc/73/60/75/1018736075.db2.gz JQZBGIFKHYMRAN-UHFFFAOYSA-N 2 2 324.468 3.683 20 0 DHADLP CC[NH+](Cc1ccoc1)[C@@H](C)CC[N@@H+](CC)Cc1ccoc1 ZINC000676477665 1018737956 /nfs/dbraw/zinc/73/79/56/1018737956.db2.gz ASZQGBFKVKNXCU-INIZCTEOSA-N 2 2 304.434 3.995 20 0 DHADLP CC[NH+](Cc1ccoc1)[C@@H](C)CC[N@H+](CC)Cc1ccoc1 ZINC000676477665 1018737971 /nfs/dbraw/zinc/73/79/71/1018737971.db2.gz ASZQGBFKVKNXCU-INIZCTEOSA-N 2 2 304.434 3.995 20 0 DHADLP CC[NH+](CC[C@H](C)[N@H+](CC)Cc1ccoc1)Cc1ccoc1 ZINC000676477665 1018737986 /nfs/dbraw/zinc/73/79/86/1018737986.db2.gz ASZQGBFKVKNXCU-INIZCTEOSA-N 2 2 304.434 3.995 20 0 DHADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000765254630 1018737847 /nfs/dbraw/zinc/73/78/47/1018737847.db2.gz ZQUIGQMWKGPRAB-KDOFPFPSSA-N 2 2 313.445 3.679 20 0 DHADLP CC[NH+](CC[C@H](C)[N@@H+](CC)Cc1ccoc1)Cc1ccoc1 ZINC000676477665 1018738003 /nfs/dbraw/zinc/73/80/03/1018738003.db2.gz ASZQGBFKVKNXCU-INIZCTEOSA-N 2 2 304.434 3.995 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2nc3ccccc3c(C)c2Cl)CC[C@@H]1[NH3+] ZINC000316825757 1018870268 /nfs/dbraw/zinc/87/02/68/1018870268.db2.gz KXWFSSSCSFESLZ-HIFRSBDPSA-N 2 2 317.864 3.756 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2nc3ccccc3c(C)c2Cl)CC[C@@H]1[NH3+] ZINC000316825757 1018870295 /nfs/dbraw/zinc/87/02/95/1018870295.db2.gz KXWFSSSCSFESLZ-HIFRSBDPSA-N 2 2 317.864 3.756 20 0 DHADLP CC[C@H]1C[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000316803311 1018870889 /nfs/dbraw/zinc/87/08/89/1018870889.db2.gz JBYJHJHZXVUOHN-BLLLJJGKSA-N 2 2 319.836 3.554 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC[C@H]1[NH3+] ZINC000316803311 1018870913 /nfs/dbraw/zinc/87/09/13/1018870913.db2.gz JBYJHJHZXVUOHN-BLLLJJGKSA-N 2 2 319.836 3.554 20 0 DHADLP FC(F)(F)c1cccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000628157471 1018889704 /nfs/dbraw/zinc/88/97/04/1018889704.db2.gz IXHFAFFNAKSHQB-UHFFFAOYSA-N 2 2 323.362 3.782 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000625770091 1018909875 /nfs/dbraw/zinc/90/98/75/1018909875.db2.gz FUBKCKPHHIKTQO-UHFFFAOYSA-N 2 2 305.372 3.802 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000625770091 1018909891 /nfs/dbraw/zinc/90/98/91/1018909891.db2.gz FUBKCKPHHIKTQO-UHFFFAOYSA-N 2 2 305.372 3.802 20 0 DHADLP CCC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccn1 ZINC000158779878 1018915760 /nfs/dbraw/zinc/91/57/60/1018915760.db2.gz PWOPXVUNPPIXOX-QGZVFWFLSA-N 2 2 306.413 3.898 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1c(C)noc1C ZINC000584160183 1018994279 /nfs/dbraw/zinc/99/42/79/1018994279.db2.gz KXTBQKAUJKGLEA-BZSNNMDCSA-N 2 2 313.445 3.825 20 0 DHADLP CC(C)CC[C@H]1CCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347912752 1019056468 /nfs/dbraw/zinc/05/64/68/1019056468.db2.gz FQICAKKEXNGGHY-OAHLLOKOSA-N 2 2 309.523 3.995 20 0 DHADLP CC(C)CC[C@H]1CCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347912752 1019056483 /nfs/dbraw/zinc/05/64/83/1019056483.db2.gz FQICAKKEXNGGHY-OAHLLOKOSA-N 2 2 309.523 3.995 20 0 DHADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080960602 1019134805 /nfs/dbraw/zinc/13/48/05/1019134805.db2.gz TYANMKNABPROQS-CYBMUJFWSA-N 2 2 309.335 3.808 20 0 DHADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080960602 1019134813 /nfs/dbraw/zinc/13/48/13/1019134813.db2.gz TYANMKNABPROQS-CYBMUJFWSA-N 2 2 309.335 3.808 20 0 DHADLP CC[N@H+](Cc1nc(C)c(C(C)(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000923337189 1019137696 /nfs/dbraw/zinc/13/76/96/1019137696.db2.gz XUXCARPEJZYGQG-AWEZNQCLSA-N 2 2 309.523 3.713 20 0 DHADLP CC[N@@H+](Cc1nc(C)c(C(C)(C)C)s1)[C@H]1CCC[NH2+]CC1 ZINC000923337189 1019137710 /nfs/dbraw/zinc/13/77/10/1019137710.db2.gz XUXCARPEJZYGQG-AWEZNQCLSA-N 2 2 309.523 3.713 20 0 DHADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1SC ZINC000080984327 1019141233 /nfs/dbraw/zinc/14/12/33/1019141233.db2.gz YECVIUGERQQAGR-AWEZNQCLSA-N 2 2 317.458 3.520 20 0 DHADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1SC ZINC000080984327 1019141240 /nfs/dbraw/zinc/14/12/40/1019141240.db2.gz YECVIUGERQQAGR-AWEZNQCLSA-N 2 2 317.458 3.520 20 0 DHADLP C[NH+]1C(C)(C)CC([NH2+][C@H](CO)c2ccccc2Cl)CC1(C)C ZINC001171627573 1032810403 /nfs/dbraw/zinc/81/04/03/1032810403.db2.gz XENZEUMDURGNOV-MRXNPFEDSA-N 2 2 324.896 3.614 20 0 DHADLP Fc1ccc([C@H](CC(F)(F)F)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000923376112 1019156581 /nfs/dbraw/zinc/15/65/81/1019156581.db2.gz IICXCLGZDPRTBI-AWEZNQCLSA-N 2 2 304.331 3.551 20 0 DHADLP C[N@H+](CCC[NH2+]Cc1scnc1C1CC1)Cc1ccccc1 ZINC000486971502 1019356112 /nfs/dbraw/zinc/35/61/12/1019356112.db2.gz NYJNDDZGPRQEOQ-UHFFFAOYSA-N 2 2 315.486 3.632 20 0 DHADLP C[N@@H+](CCC[NH2+]Cc1scnc1C1CC1)Cc1ccccc1 ZINC000486971502 1019356122 /nfs/dbraw/zinc/35/61/22/1019356122.db2.gz NYJNDDZGPRQEOQ-UHFFFAOYSA-N 2 2 315.486 3.632 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccnc2Cl)C1 ZINC000090585987 1019411782 /nfs/dbraw/zinc/41/17/82/1019411782.db2.gz JWSQMBIMCJTZEZ-GJZGRUSLSA-N 2 2 309.885 3.754 20 0 DHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccnc2Cl)C1 ZINC000090585987 1019411797 /nfs/dbraw/zinc/41/17/97/1019411797.db2.gz JWSQMBIMCJTZEZ-GJZGRUSLSA-N 2 2 309.885 3.754 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccccc3OCC3CC3)C2)[nH]1 ZINC000092073271 1019504625 /nfs/dbraw/zinc/50/46/25/1019504625.db2.gz KBWAGCFVNQSJIB-KRWDZBQOSA-N 2 2 311.429 3.578 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccccc3OCC3CC3)C2)[nH]1 ZINC000092073271 1019504634 /nfs/dbraw/zinc/50/46/34/1019504634.db2.gz KBWAGCFVNQSJIB-KRWDZBQOSA-N 2 2 311.429 3.578 20 0 DHADLP C[N@@H+](Cc1ccc(Cl)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336719 1019559033 /nfs/dbraw/zinc/55/90/33/1019559033.db2.gz YFKOOWLTVFCBLP-MRXNPFEDSA-N 2 2 318.848 3.887 20 0 DHADLP C[N@H+](Cc1ccc(Cl)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336719 1019559041 /nfs/dbraw/zinc/55/90/41/1019559041.db2.gz YFKOOWLTVFCBLP-MRXNPFEDSA-N 2 2 318.848 3.887 20 0 DHADLP C[NH+](Cc1ccc(Cl)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336719 1019559051 /nfs/dbraw/zinc/55/90/51/1019559051.db2.gz YFKOOWLTVFCBLP-MRXNPFEDSA-N 2 2 318.848 3.887 20 0 DHADLP C[NH+](Cc1ccc(Cl)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336719 1019559056 /nfs/dbraw/zinc/55/90/56/1019559056.db2.gz YFKOOWLTVFCBLP-MRXNPFEDSA-N 2 2 318.848 3.887 20 0 DHADLP Cc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)s1 ZINC000170972761 1019569351 /nfs/dbraw/zinc/56/93/51/1019569351.db2.gz XVTMDLPCXMMROX-CQSZACIVSA-N 2 2 317.502 3.933 20 0 DHADLP Cc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)s1 ZINC000170972761 1019569360 /nfs/dbraw/zinc/56/93/60/1019569360.db2.gz XVTMDLPCXMMROX-CQSZACIVSA-N 2 2 317.502 3.933 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093770327 1019579961 /nfs/dbraw/zinc/57/99/61/1019579961.db2.gz DXBXFMVKSSEGOJ-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093770327 1019579971 /nfs/dbraw/zinc/57/99/71/1019579971.db2.gz DXBXFMVKSSEGOJ-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093770327 1019579982 /nfs/dbraw/zinc/57/99/82/1019579982.db2.gz DXBXFMVKSSEGOJ-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1 ZINC000093770327 1019579989 /nfs/dbraw/zinc/57/99/89/1019579989.db2.gz DXBXFMVKSSEGOJ-ZDUSSCGKSA-N 2 2 321.515 3.645 20 0 DHADLP C[C@H](CC1CCC1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766188795 1019736091 /nfs/dbraw/zinc/73/60/91/1019736091.db2.gz AJPWRPOGGRZKNW-MRXNPFEDSA-N 2 2 315.505 3.890 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3C)o2)CC1 ZINC000115610449 1019749828 /nfs/dbraw/zinc/74/98/28/1019749828.db2.gz WYIXWRFOWDZMMC-UHFFFAOYSA-N 2 2 316.420 3.968 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ncc[nH]1 ZINC000285530424 1019874161 /nfs/dbraw/zinc/87/41/61/1019874161.db2.gz FJNXJUAHVGSJGH-CVEARBPZSA-N 2 2 312.461 3.635 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ncc[nH]1 ZINC000285530424 1019874177 /nfs/dbraw/zinc/87/41/77/1019874177.db2.gz FJNXJUAHVGSJGH-CVEARBPZSA-N 2 2 312.461 3.635 20 0 DHADLP Clc1cccc2c1C[C@@H]([NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC001168717784 1019940863 /nfs/dbraw/zinc/94/08/63/1019940863.db2.gz JQZMTSUMXGJYOH-KRWDZBQOSA-N 2 2 318.892 3.758 20 0 DHADLP CCc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000066586692 1019953893 /nfs/dbraw/zinc/95/38/93/1019953893.db2.gz OMOOVXRMRACAJA-UHFFFAOYSA-N 2 2 311.454 3.845 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000360046623 1020049927 /nfs/dbraw/zinc/04/99/27/1020049927.db2.gz QXPPYLMIBHTVCH-RISCZKNCSA-N 2 2 307.850 3.752 20 0 DHADLP CC1(C)CCc2cc(C[NH2+]CCCCn3cc[nH+]c3)ccc2O1 ZINC000731676628 1020137825 /nfs/dbraw/zinc/13/78/25/1020137825.db2.gz CNNJPVVNPZAKQV-UHFFFAOYSA-N 2 2 313.445 3.557 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658095284 1020141741 /nfs/dbraw/zinc/14/17/41/1020141741.db2.gz FZPMAYGGNDFRMM-YCEFEEMOSA-N 2 2 316.489 3.650 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658095284 1020141746 /nfs/dbraw/zinc/14/17/46/1020141746.db2.gz FZPMAYGGNDFRMM-YCEFEEMOSA-N 2 2 316.489 3.650 20 0 DHADLP C/C(=C\c1ccccc1)C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000922631279 1020177050 /nfs/dbraw/zinc/17/70/50/1020177050.db2.gz KQOYWYVNVAEPGY-QMEWPPBRSA-N 2 2 309.457 3.768 20 0 DHADLP C(=C\c1ccccc1)\C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390633183 1020214172 /nfs/dbraw/zinc/21/41/72/1020214172.db2.gz AVLOTLLAPVURKJ-MNBXNJIQSA-N 2 2 306.453 3.954 20 0 DHADLP C(=C\c1ccccc1)\C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390633183 1020214181 /nfs/dbraw/zinc/21/41/81/1020214181.db2.gz AVLOTLLAPVURKJ-MNBXNJIQSA-N 2 2 306.453 3.954 20 0 DHADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000623657775 1020342196 /nfs/dbraw/zinc/34/21/96/1020342196.db2.gz YRSYDDPGERMTKZ-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000623657775 1020342205 /nfs/dbraw/zinc/34/22/05/1020342205.db2.gz YRSYDDPGERMTKZ-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP Fc1cc([C@@H]2CCCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc(F)c1F ZINC000892441934 1020357642 /nfs/dbraw/zinc/35/76/42/1020357642.db2.gz URLQEOLEFYTIPO-XJKSGUPXSA-N 2 2 323.362 3.616 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)sn1 ZINC000404428647 1020419289 /nfs/dbraw/zinc/41/92/89/1020419289.db2.gz KBQHERCNICCOLH-DOTOQJQBSA-N 2 2 315.486 3.594 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)sn1 ZINC000404428647 1020419291 /nfs/dbraw/zinc/41/92/91/1020419291.db2.gz KBQHERCNICCOLH-DOTOQJQBSA-N 2 2 315.486 3.594 20 0 DHADLP Cc1nc2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2s1 ZINC000655856738 1020431676 /nfs/dbraw/zinc/43/16/76/1020431676.db2.gz OYYSQNQCNXNQPH-RDJZCZTQSA-N 2 2 315.486 3.711 20 0 DHADLP Cc1nc2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2s1 ZINC000655856738 1020431691 /nfs/dbraw/zinc/43/16/91/1020431691.db2.gz OYYSQNQCNXNQPH-RDJZCZTQSA-N 2 2 315.486 3.711 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474482610 1020498689 /nfs/dbraw/zinc/49/86/89/1020498689.db2.gz MWDWNIMJYJZOHN-XSCHDIRWSA-N 2 2 306.416 3.818 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000474482610 1020498692 /nfs/dbraw/zinc/49/86/92/1020498692.db2.gz MWDWNIMJYJZOHN-XSCHDIRWSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc2ccccc2o1 ZINC000278795809 1020549322 /nfs/dbraw/zinc/54/93/22/1020549322.db2.gz YXXQQMJSBUSZQJ-JKSUJKDBSA-N 2 2 316.445 3.584 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc2ccccc2o1 ZINC000278795809 1020549329 /nfs/dbraw/zinc/54/93/29/1020549329.db2.gz YXXQQMJSBUSZQJ-JKSUJKDBSA-N 2 2 316.445 3.584 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000347840807 1020560515 /nfs/dbraw/zinc/56/05/15/1020560515.db2.gz DVPLWNVXEBSDFT-HKUYNNGSSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000347840807 1020560525 /nfs/dbraw/zinc/56/05/25/1020560525.db2.gz DVPLWNVXEBSDFT-HKUYNNGSSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000347840807 1020560531 /nfs/dbraw/zinc/56/05/31/1020560531.db2.gz DVPLWNVXEBSDFT-HKUYNNGSSA-N 2 2 315.505 3.730 20 0 DHADLP CCc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000347840807 1020560553 /nfs/dbraw/zinc/56/05/53/1020560553.db2.gz DVPLWNVXEBSDFT-HKUYNNGSSA-N 2 2 315.505 3.730 20 0 DHADLP c1csc(-c2ncc(C[N@H+](C3CC3)C3CC[NH2+]CC3)s2)c1 ZINC000647483004 1020589291 /nfs/dbraw/zinc/58/92/91/1020589291.db2.gz QQKWFWSTRTYPLV-UHFFFAOYSA-N 2 2 319.499 3.588 20 0 DHADLP c1csc(-c2ncc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)s2)c1 ZINC000647483004 1020589301 /nfs/dbraw/zinc/58/93/01/1020589301.db2.gz QQKWFWSTRTYPLV-UHFFFAOYSA-N 2 2 319.499 3.588 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001171958750 1032926413 /nfs/dbraw/zinc/92/64/13/1032926413.db2.gz HCPYCIVTRZSFJG-KBPBESRZSA-N 2 2 314.395 3.710 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958503 1032927827 /nfs/dbraw/zinc/92/78/27/1032927827.db2.gz AIQYYPPBTFKCLE-CQSZACIVSA-N 2 2 316.411 3.958 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171958503 1032927839 /nfs/dbraw/zinc/92/78/39/1032927839.db2.gz AIQYYPPBTFKCLE-CQSZACIVSA-N 2 2 316.411 3.958 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001171968722 1032932281 /nfs/dbraw/zinc/93/22/81/1032932281.db2.gz IAILLGPYYSQEQG-ZDUSSCGKSA-N 2 2 314.395 3.662 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001171968722 1032932288 /nfs/dbraw/zinc/93/22/88/1032932288.db2.gz IAILLGPYYSQEQG-ZDUSSCGKSA-N 2 2 314.395 3.662 20 0 DHADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC1(C)C ZINC000414074504 1020847804 /nfs/dbraw/zinc/84/78/04/1020847804.db2.gz WWSOXIMRBBWXOV-ROUUACIJSA-N 2 2 311.473 3.888 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc2c(c1)CCCO2 ZINC000858533852 1032935613 /nfs/dbraw/zinc/93/56/13/1032935613.db2.gz UOEFQBPFMJSZIF-BEFAXECRSA-N 2 2 314.473 3.679 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc2c(c1)CCCO2 ZINC000858533852 1032935625 /nfs/dbraw/zinc/93/56/25/1032935625.db2.gz UOEFQBPFMJSZIF-BEFAXECRSA-N 2 2 314.473 3.679 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1csc(-c2ccccc2)n1 ZINC000414139294 1020931545 /nfs/dbraw/zinc/93/15/45/1020931545.db2.gz QHSXCOGARWRRKS-HIFRSBDPSA-N 2 2 324.453 3.672 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171969016 1032953092 /nfs/dbraw/zinc/95/30/92/1032953092.db2.gz SPZNHYMKPRQWRH-LJQANCHMSA-N 2 2 323.484 3.923 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC001171969016 1032953102 /nfs/dbraw/zinc/95/31/02/1032953102.db2.gz SPZNHYMKPRQWRH-LJQANCHMSA-N 2 2 323.484 3.923 20 0 DHADLP CC(C)(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171968746 1032952796 /nfs/dbraw/zinc/95/27/96/1032952796.db2.gz RBYXSWYRZNJPLE-QGZVFWFLSA-N 2 2 316.489 3.634 20 0 DHADLP CC(C)(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171968746 1032952801 /nfs/dbraw/zinc/95/28/01/1032952801.db2.gz RBYXSWYRZNJPLE-QGZVFWFLSA-N 2 2 316.489 3.634 20 0 DHADLP Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc(C2CCC2)[nH+]1 ZINC000892618005 1021102866 /nfs/dbraw/zinc/10/28/66/1021102866.db2.gz DPDNUGYUMLDDIB-KRWDZBQOSA-N 2 2 314.477 3.507 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cncnc1 ZINC001171973059 1032957051 /nfs/dbraw/zinc/95/70/51/1032957051.db2.gz VQRFULIODORVFD-APWZRJJASA-N 2 2 324.472 3.570 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cncnc1 ZINC001171973059 1032957063 /nfs/dbraw/zinc/95/70/63/1032957063.db2.gz VQRFULIODORVFD-APWZRJJASA-N 2 2 324.472 3.570 20 0 DHADLP CN(C)c1cccc(Cl)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001202243492 1021192966 /nfs/dbraw/zinc/19/29/66/1021192966.db2.gz ZWYGSIJPEIDYDF-UHFFFAOYSA-N 2 2 323.912 3.618 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000337390415 1032963593 /nfs/dbraw/zinc/96/35/93/1032963593.db2.gz HFIQLGTVNYMPLE-GOSISDBHSA-N 2 2 319.399 3.600 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000337390415 1032963603 /nfs/dbraw/zinc/96/36/03/1032963603.db2.gz HFIQLGTVNYMPLE-GOSISDBHSA-N 2 2 319.399 3.600 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000537991480 1032963792 /nfs/dbraw/zinc/96/37/92/1032963792.db2.gz RDOKCMHIABTLAV-NHYWBVRUSA-N 2 2 313.272 3.608 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(Cl)c1Cl ZINC000537991480 1032963808 /nfs/dbraw/zinc/96/38/08/1032963808.db2.gz RDOKCMHIABTLAV-NHYWBVRUSA-N 2 2 313.272 3.608 20 0 DHADLP CC1(C)C[C@H]([NH+]2CCC[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171979978 1032966204 /nfs/dbraw/zinc/96/62/04/1032966204.db2.gz CONOTNWHRRYXCC-ZWKOTPCHSA-N 2 2 304.453 3.864 20 0 DHADLP CC1(C)C[C@H]([NH+]2CCC[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979978 1032966214 /nfs/dbraw/zinc/96/62/14/1032966214.db2.gz CONOTNWHRRYXCC-ZWKOTPCHSA-N 2 2 304.453 3.864 20 0 DHADLP CC1(C)C[C@H]([N@@H+]2CCC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171979978 1032966218 /nfs/dbraw/zinc/96/62/18/1032966218.db2.gz CONOTNWHRRYXCC-ZWKOTPCHSA-N 2 2 304.453 3.864 20 0 DHADLP CC1(C)C[C@H]([N@H+]2CCC[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171979978 1032966229 /nfs/dbraw/zinc/96/62/29/1032966229.db2.gz CONOTNWHRRYXCC-ZWKOTPCHSA-N 2 2 304.453 3.864 20 0 DHADLP CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000850079095 1021412652 /nfs/dbraw/zinc/41/26/52/1021412652.db2.gz BNQOMQSITLFPBS-UHFFFAOYSA-N 2 2 321.424 3.869 20 0 DHADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCCSCC3)cc2)CC1 ZINC000850450829 1021543511 /nfs/dbraw/zinc/54/35/11/1021543511.db2.gz USZGLMVMBVQVPR-MRXNPFEDSA-N 2 2 319.518 3.526 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000850495136 1021564104 /nfs/dbraw/zinc/56/41/04/1021564104.db2.gz XEVPGFXYBUGGKU-MOPGFXCFSA-N 2 2 316.489 3.617 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000850495136 1021564116 /nfs/dbraw/zinc/56/41/16/1021564116.db2.gz XEVPGFXYBUGGKU-MOPGFXCFSA-N 2 2 316.489 3.617 20 0 DHADLP C[C@@H]([NH2+]CCC1SCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000850569504 1021612726 /nfs/dbraw/zinc/61/27/26/1021612726.db2.gz GRHKTJWFZJEZEY-CYBMUJFWSA-N 2 2 319.499 3.719 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093770448 1021677086 /nfs/dbraw/zinc/67/70/86/1021677086.db2.gz UGAHCXDUKWNEGC-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093770448 1021677090 /nfs/dbraw/zinc/67/70/90/1021677090.db2.gz UGAHCXDUKWNEGC-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093770448 1021677097 /nfs/dbraw/zinc/67/70/97/1021677097.db2.gz UGAHCXDUKWNEGC-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093770448 1021677099 /nfs/dbraw/zinc/67/70/99/1021677099.db2.gz UGAHCXDUKWNEGC-CYBMUJFWSA-N 2 2 321.515 3.645 20 0 DHADLP Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037292700 1021681850 /nfs/dbraw/zinc/68/18/50/1021681850.db2.gz CILSXDOULKUBIG-ARFHVFGLSA-N 2 2 306.450 3.579 20 0 DHADLP Fc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037292700 1021681871 /nfs/dbraw/zinc/68/18/71/1021681871.db2.gz CILSXDOULKUBIG-ARFHVFGLSA-N 2 2 306.450 3.579 20 0 DHADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)cc(Cl)cc1F)C2 ZINC001172105126 1033002037 /nfs/dbraw/zinc/00/20/37/1033002037.db2.gz HCEHYAPTQFKZPS-XYYAHUGASA-N 2 2 314.807 3.723 20 0 DHADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1c(F)cc(Cl)cc1F)C2 ZINC001172105126 1033002049 /nfs/dbraw/zinc/00/20/49/1033002049.db2.gz HCEHYAPTQFKZPS-XYYAHUGASA-N 2 2 314.807 3.723 20 0 DHADLP COc1cccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000556571546 1021780431 /nfs/dbraw/zinc/78/04/31/1021780431.db2.gz LPBNXSUBGBTUEK-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP COc1cccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000556571546 1021780448 /nfs/dbraw/zinc/78/04/48/1021780448.db2.gz LPBNXSUBGBTUEK-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP CO[C@H]1CC[N@H+](Cc2c(C)cc(C(C)(C)C)cc2C)[C@@H](C[NH3+])C1 ZINC000261920647 1021851750 /nfs/dbraw/zinc/85/17/50/1021851750.db2.gz RLCCOAXMWRIZCZ-MSOLQXFVSA-N 2 2 318.505 3.539 20 0 DHADLP CO[C@H]1CC[N@@H+](Cc2c(C)cc(C(C)(C)C)cc2C)[C@@H](C[NH3+])C1 ZINC000261920647 1021851763 /nfs/dbraw/zinc/85/17/63/1021851763.db2.gz RLCCOAXMWRIZCZ-MSOLQXFVSA-N 2 2 318.505 3.539 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000261996356 1021861241 /nfs/dbraw/zinc/86/12/41/1021861241.db2.gz ULSLECROLMDWHX-MRXNPFEDSA-N 2 2 319.836 3.698 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000261996356 1021861253 /nfs/dbraw/zinc/86/12/53/1021861253.db2.gz ULSLECROLMDWHX-MRXNPFEDSA-N 2 2 319.836 3.698 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000387260030 1022056872 /nfs/dbraw/zinc/05/68/72/1022056872.db2.gz UMACWSZWJBLDQD-CEXWTWQISA-N 2 2 304.478 3.617 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)[C@@H](C)C1 ZINC000746469460 1022119524 /nfs/dbraw/zinc/11/95/24/1022119524.db2.gz CGJGPSGUSMUFFN-WCQYABFASA-N 2 2 316.276 3.551 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)nc(Cl)c2)[C@@H](C)C1 ZINC000746469460 1022119531 /nfs/dbraw/zinc/11/95/31/1022119531.db2.gz CGJGPSGUSMUFFN-WCQYABFASA-N 2 2 316.276 3.551 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)nc(Cl)c2)[C@@H](C)C1 ZINC000746469460 1022119534 /nfs/dbraw/zinc/11/95/34/1022119534.db2.gz CGJGPSGUSMUFFN-WCQYABFASA-N 2 2 316.276 3.551 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)nc(Cl)c2)[C@@H](C)C1 ZINC000746469460 1022119541 /nfs/dbraw/zinc/11/95/41/1022119541.db2.gz CGJGPSGUSMUFFN-WCQYABFASA-N 2 2 316.276 3.551 20 0 DHADLP CC(C)c1cccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000624014837 1022175170 /nfs/dbraw/zinc/17/51/70/1022175170.db2.gz IOTXXJMQZMQNEK-UZLBHIALSA-N 2 2 316.489 3.714 20 0 DHADLP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000153590361 1022225004 /nfs/dbraw/zinc/22/50/04/1022225004.db2.gz SLWULEAXDLWHRR-FUHWJXTLSA-N 2 2 304.478 3.684 20 0 DHADLP CC(C)CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000153590361 1022225011 /nfs/dbraw/zinc/22/50/11/1022225011.db2.gz SLWULEAXDLWHRR-FUHWJXTLSA-N 2 2 304.478 3.684 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1F)C2 ZINC001169099374 1022247899 /nfs/dbraw/zinc/24/78/99/1022247899.db2.gz QXIHLBBVANMGAZ-BTTYYORXSA-N 2 2 316.342 3.559 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1F)C2 ZINC001169099374 1022247906 /nfs/dbraw/zinc/24/79/06/1022247906.db2.gz QXIHLBBVANMGAZ-BTTYYORXSA-N 2 2 316.342 3.559 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001169126493 1022261386 /nfs/dbraw/zinc/26/13/86/1022261386.db2.gz VDXMNBYISPLLNR-PXCRPINLSA-N 2 2 321.468 3.518 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001169126493 1022261390 /nfs/dbraw/zinc/26/13/90/1022261390.db2.gz VDXMNBYISPLLNR-PXCRPINLSA-N 2 2 321.468 3.518 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001169126493 1022261393 /nfs/dbraw/zinc/26/13/93/1022261393.db2.gz VDXMNBYISPLLNR-PXCRPINLSA-N 2 2 321.468 3.518 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCn3cccc3[C@@H]1c1ccccc1)C2 ZINC001169126493 1022261398 /nfs/dbraw/zinc/26/13/98/1022261398.db2.gz VDXMNBYISPLLNR-PXCRPINLSA-N 2 2 321.468 3.518 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)Cc1ccccn1)C2 ZINC001169124510 1022261837 /nfs/dbraw/zinc/26/18/37/1022261837.db2.gz DHDQJVSYVJXUBN-AERCQKQUSA-N 2 2 321.468 3.709 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)Cc1ccccn1)C2 ZINC001169124510 1022261841 /nfs/dbraw/zinc/26/18/41/1022261841.db2.gz DHDQJVSYVJXUBN-AERCQKQUSA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)Cc1ccccn1)C2 ZINC001169124510 1022261848 /nfs/dbraw/zinc/26/18/48/1022261848.db2.gz DHDQJVSYVJXUBN-AERCQKQUSA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)Cc1ccccn1)C2 ZINC001169124510 1022261852 /nfs/dbraw/zinc/26/18/52/1022261852.db2.gz DHDQJVSYVJXUBN-AERCQKQUSA-N 2 2 321.468 3.709 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001169144033 1022274715 /nfs/dbraw/zinc/27/47/15/1022274715.db2.gz HZGBKKXYSOSLRO-MHORFTMASA-N 2 2 320.477 3.541 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001169144033 1022274719 /nfs/dbraw/zinc/27/47/19/1022274719.db2.gz HZGBKKXYSOSLRO-MHORFTMASA-N 2 2 320.477 3.541 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001169144033 1022274732 /nfs/dbraw/zinc/27/47/32/1022274732.db2.gz HZGBKKXYSOSLRO-MHORFTMASA-N 2 2 320.477 3.541 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCSC[C@H]1c1ccc(F)cc1)C2 ZINC001169144033 1022274742 /nfs/dbraw/zinc/27/47/42/1022274742.db2.gz HZGBKKXYSOSLRO-MHORFTMASA-N 2 2 320.477 3.541 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cnn(C2CCCC2)c1 ZINC000337512661 1033044074 /nfs/dbraw/zinc/04/40/74/1033044074.db2.gz JTRWPIQYFKOHMP-HNNXBMFYSA-N 2 2 316.493 3.666 20 0 DHADLP C[N@H+](CCCC1CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991431 1022312787 /nfs/dbraw/zinc/31/27/87/1022312787.db2.gz QRYHPCNBZYRDJO-UHFFFAOYSA-N 2 2 315.505 3.601 20 0 DHADLP C[N@@H+](CCCC1CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659991431 1022312805 /nfs/dbraw/zinc/31/28/05/1022312805.db2.gz QRYHPCNBZYRDJO-UHFFFAOYSA-N 2 2 315.505 3.601 20 0 DHADLP Clc1cccc(SCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000659999849 1022323676 /nfs/dbraw/zinc/32/36/76/1022323676.db2.gz WRKSECGCTWXXSN-UHFFFAOYSA-N 2 2 321.877 3.966 20 0 DHADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000363847879 1022333862 /nfs/dbraw/zinc/33/38/62/1022333862.db2.gz ALXDXGINTJUFKK-NQIIRXRSSA-N 2 2 323.484 3.862 20 0 DHADLP FCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000367626462 1022388110 /nfs/dbraw/zinc/38/81/10/1022388110.db2.gz OFJSUFMQGIPMLO-WMLDXEAASA-N 2 2 310.482 3.830 20 0 DHADLP CCC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000268929291 1022389757 /nfs/dbraw/zinc/38/97/57/1022389757.db2.gz LTZADBFTPBUJIQ-MRXNPFEDSA-N 2 2 313.445 3.730 20 0 DHADLP CC(C)[NH+](CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000155809043 1022422823 /nfs/dbraw/zinc/42/28/23/1022422823.db2.gz FTKQOIBQQIFJFD-UHFFFAOYSA-N 3 2 323.569 3.882 20 0 DHADLP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)CS2 ZINC001172198240 1033056706 /nfs/dbraw/zinc/05/67/06/1033056706.db2.gz ONEZIPWKBCBFMR-ROUUACIJSA-N 2 2 316.514 3.558 20 0 DHADLP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)CS2 ZINC001172198240 1033056715 /nfs/dbraw/zinc/05/67/15/1033056715.db2.gz ONEZIPWKBCBFMR-ROUUACIJSA-N 2 2 316.514 3.558 20 0 DHADLP CCCN(CC)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000156799160 1022495540 /nfs/dbraw/zinc/49/55/40/1022495540.db2.gz OVHIRUOJHAFFET-MRXNPFEDSA-N 2 2 314.477 3.563 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1[C@@H]3CCCC[C@@H]3C1(C)C)CCC2 ZINC000363958387 1022515839 /nfs/dbraw/zinc/51/58/39/1022515839.db2.gz DDJJUWPCCTXRKO-YVSFHVDLSA-N 2 2 301.478 3.873 20 0 DHADLP Fc1cc(Cl)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000776798478 1022595082 /nfs/dbraw/zinc/59/50/82/1022595082.db2.gz BAHDRUUMDSDBGI-UHFFFAOYSA-N 2 2 315.779 3.955 20 0 DHADLP COCCC[NH+]1CCC([NH2+]C(C)(C)c2ccccc2Cl)CC1 ZINC001172247598 1033067642 /nfs/dbraw/zinc/06/76/42/1033067642.db2.gz NCWFPSSJIMRLTB-UHFFFAOYSA-N 2 2 324.896 3.666 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000158243584 1022620234 /nfs/dbraw/zinc/62/02/34/1022620234.db2.gz WJZGIBSPYNUZQZ-HUUCEWRRSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1nc(-c2ccccc2)cs1 ZINC000158243584 1022620241 /nfs/dbraw/zinc/62/02/41/1022620241.db2.gz WJZGIBSPYNUZQZ-HUUCEWRRSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@H]1c1cccs1 ZINC000417329515 1022681450 /nfs/dbraw/zinc/68/14/50/1022681450.db2.gz UINYHQCGMKKEGC-CWRNSKLLSA-N 2 2 315.486 3.605 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000119859366 1022873624 /nfs/dbraw/zinc/87/36/24/1022873624.db2.gz GSJKUMZRCASRTA-ZDUSSCGKSA-N 2 2 305.422 3.508 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc2c(c1)CCCO2 ZINC000768087302 1022879162 /nfs/dbraw/zinc/87/91/62/1022879162.db2.gz NJQDINKTQZYQRA-QZTJIDSGSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc2c(c1)CCCO2 ZINC000768087302 1022879176 /nfs/dbraw/zinc/87/91/76/1022879176.db2.gz NJQDINKTQZYQRA-QZTJIDSGSA-N 2 2 302.462 3.537 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C[N@H+](Cc2ccccc2)C1 ZINC000768518129 1022987704 /nfs/dbraw/zinc/98/77/04/1022987704.db2.gz RPSSHWPRYWTQGK-OIISXLGYSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000768518129 1022987714 /nfs/dbraw/zinc/98/77/14/1022987714.db2.gz RPSSHWPRYWTQGK-OIISXLGYSA-N 2 2 308.416 3.674 20 0 DHADLP Cc1ccc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2n1 ZINC000322763503 1023160659 /nfs/dbraw/zinc/16/06/59/1023160659.db2.gz GXPYRCMRMROYLD-WOJBJXKFSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2n1 ZINC000322763503 1023160662 /nfs/dbraw/zinc/16/06/62/1023160662.db2.gz GXPYRCMRMROYLD-WOJBJXKFSA-N 2 2 309.457 3.650 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000769865431 1023220829 /nfs/dbraw/zinc/22/08/29/1023220829.db2.gz CKZZTERLBUQDFD-AWEZNQCLSA-N 2 2 324.428 3.641 20 0 DHADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000769875970 1023239262 /nfs/dbraw/zinc/23/92/62/1023239262.db2.gz RGTCIVGOAQXBEI-QLFBSQMISA-N 2 2 307.482 3.564 20 0 DHADLP CCc1noc(C)c1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000769875970 1023239268 /nfs/dbraw/zinc/23/92/68/1023239268.db2.gz RGTCIVGOAQXBEI-QLFBSQMISA-N 2 2 307.482 3.564 20 0 DHADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172335068 1033119513 /nfs/dbraw/zinc/11/95/13/1033119513.db2.gz NWFOLUYKYNZRHU-GGPKGHCWSA-N 2 2 318.505 3.834 20 0 DHADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172335068 1033119523 /nfs/dbraw/zinc/11/95/23/1033119523.db2.gz NWFOLUYKYNZRHU-GGPKGHCWSA-N 2 2 318.505 3.834 20 0 DHADLP CC[C@H](C)OCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172336679 1033120021 /nfs/dbraw/zinc/12/00/21/1033120021.db2.gz USOHTYQQYYXJCO-XMTFNYHQSA-N 2 2 319.493 3.752 20 0 DHADLP C[N@H+](CC(F)F)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000771162913 1023400660 /nfs/dbraw/zinc/40/06/60/1023400660.db2.gz JVRJTUVYAAOPJR-UHFFFAOYSA-N 2 2 323.362 3.540 20 0 DHADLP C[N@@H+](CC(F)F)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000771162913 1023400663 /nfs/dbraw/zinc/40/06/63/1023400663.db2.gz JVRJTUVYAAOPJR-UHFFFAOYSA-N 2 2 323.362 3.540 20 0 DHADLP Clc1ccc2c(n1)[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)CC2 ZINC000771179042 1023406279 /nfs/dbraw/zinc/40/62/79/1023406279.db2.gz SVLUWFPJEMSROS-HNNXBMFYSA-N 2 2 324.815 3.698 20 0 DHADLP CC[C@H](C)OCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172348322 1033131553 /nfs/dbraw/zinc/13/15/53/1033131553.db2.gz PNIWFOALGSEEBE-SJORKVTESA-N 2 2 315.461 3.898 20 0 DHADLP CC[C@H](C)OCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172348322 1033131560 /nfs/dbraw/zinc/13/15/60/1033131560.db2.gz PNIWFOALGSEEBE-SJORKVTESA-N 2 2 315.461 3.898 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651725781 1023499706 /nfs/dbraw/zinc/49/97/06/1023499706.db2.gz OZWYFQRMJOBECU-TXPKVOOTSA-N 2 2 309.457 3.882 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651725781 1023499713 /nfs/dbraw/zinc/49/97/13/1023499713.db2.gz OZWYFQRMJOBECU-TXPKVOOTSA-N 2 2 309.457 3.882 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C[C@@H]1C ZINC001172371580 1033151986 /nfs/dbraw/zinc/15/19/86/1033151986.db2.gz VDVQQBXTGYTVGL-GJYPPUQNSA-N 2 2 316.489 3.771 20 0 DHADLP C[NH+]1CCC([NH2+]C2(c3ccccc3Br)CCC2)CC1 ZINC000652218423 1023704372 /nfs/dbraw/zinc/70/43/72/1023704372.db2.gz LAFVJEYJXMFWSM-UHFFFAOYSA-N 2 2 323.278 3.512 20 0 DHADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000786802116 1023729928 /nfs/dbraw/zinc/72/99/28/1023729928.db2.gz WPNSCNQLYRABCR-JXFKEZNVSA-N 2 2 321.424 3.738 20 0 DHADLP Cc1ccc(OCC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000787282633 1023780339 /nfs/dbraw/zinc/78/03/39/1023780339.db2.gz KCNKBKWEKICZFH-QGZVFWFLSA-N 2 2 321.424 3.910 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cs2)o1 ZINC000652355967 1023813157 /nfs/dbraw/zinc/81/31/57/1023813157.db2.gz ODSDMGXJMLQECX-SWLSCSKDSA-N 2 2 319.474 3.661 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cs2)o1 ZINC000652355967 1023813163 /nfs/dbraw/zinc/81/31/63/1023813163.db2.gz ODSDMGXJMLQECX-SWLSCSKDSA-N 2 2 319.474 3.661 20 0 DHADLP C[C@H]([NH2+][C@H]1COCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000787753268 1023814128 /nfs/dbraw/zinc/81/41/28/1023814128.db2.gz FJSQYNQAGWBHRQ-YWZLYKJASA-N 2 2 319.408 3.794 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccccc1 ZINC000788500214 1023894742 /nfs/dbraw/zinc/89/47/42/1023894742.db2.gz ZJMLTWUCIOWVJS-MAUKXSAKSA-N 2 2 313.445 3.521 20 0 DHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000538752316 1033170928 /nfs/dbraw/zinc/17/09/28/1033170928.db2.gz YOQQANCVNDYTRI-HNNXBMFYSA-N 2 2 321.534 3.604 20 0 DHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000538752316 1033170958 /nfs/dbraw/zinc/17/09/58/1033170958.db2.gz YOQQANCVNDYTRI-HNNXBMFYSA-N 2 2 321.534 3.604 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000538752316 1033170969 /nfs/dbraw/zinc/17/09/69/1033170969.db2.gz YOQQANCVNDYTRI-HNNXBMFYSA-N 2 2 321.534 3.604 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000538752316 1033170977 /nfs/dbraw/zinc/17/09/77/1033170977.db2.gz YOQQANCVNDYTRI-HNNXBMFYSA-N 2 2 321.534 3.604 20 0 DHADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000788593671 1023910498 /nfs/dbraw/zinc/91/04/98/1023910498.db2.gz HPOSAOCVTGONMM-YOEHRIQHSA-N 2 2 322.880 3.621 20 0 DHADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2COCc3cccc(Cl)c32)C1 ZINC000788593671 1023910503 /nfs/dbraw/zinc/91/05/03/1023910503.db2.gz HPOSAOCVTGONMM-YOEHRIQHSA-N 2 2 322.880 3.621 20 0 DHADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC001170114011 1024140565 /nfs/dbraw/zinc/14/05/65/1024140565.db2.gz ZHUZFZQSLXQJKM-AUUYWEPGSA-N 2 2 304.453 3.877 20 0 DHADLP Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000268815152 1024167924 /nfs/dbraw/zinc/16/79/24/1024167924.db2.gz VPLLFIQFTVGOOA-OXQOHEQNSA-N 2 2 321.424 3.565 20 0 DHADLP Clc1ccc2sc(C[NH2+]CCCCn3cc[nH+]c3)cc2n1 ZINC000876958635 1033192982 /nfs/dbraw/zinc/19/29/82/1033192982.db2.gz JAGPVVWLLKHRFQ-UHFFFAOYSA-N 2 2 320.849 3.716 20 0 DHADLP CC[N@@H+](Cc1cnccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000269624728 1024297074 /nfs/dbraw/zinc/29/70/74/1024297074.db2.gz OJMMRBFILHBTCU-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP CC[N@H+](Cc1cnccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000269624728 1024297087 /nfs/dbraw/zinc/29/70/87/1024297087.db2.gz OJMMRBFILHBTCU-UHFFFAOYSA-N 2 2 324.472 3.524 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269669629 1024303561 /nfs/dbraw/zinc/30/35/61/1024303561.db2.gz ZWKYEQFFUKKOEZ-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269669629 1024303577 /nfs/dbraw/zinc/30/35/77/1024303577.db2.gz ZWKYEQFFUKKOEZ-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000269669629 1024303591 /nfs/dbraw/zinc/30/35/91/1024303591.db2.gz ZWKYEQFFUKKOEZ-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1ccncc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000269669629 1024303606 /nfs/dbraw/zinc/30/36/06/1024303606.db2.gz ZWKYEQFFUKKOEZ-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccncc1 ZINC000453087020 1024323734 /nfs/dbraw/zinc/32/37/34/1024323734.db2.gz YFKVBAUCKRGYHV-LJQANCHMSA-N 2 2 306.413 3.567 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270550997 1024405249 /nfs/dbraw/zinc/40/52/49/1024405249.db2.gz ZUIQTALIKCPNMD-JTQLQIEISA-N 2 2 313.232 3.513 20 0 DHADLP C[C@@H](Cc1cccs1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387521 1024420313 /nfs/dbraw/zinc/42/03/13/1024420313.db2.gz YYXPSPGOULSYCW-MAUKXSAKSA-N 2 2 311.454 3.907 20 0 DHADLP Cc1ncc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883386935 1024420873 /nfs/dbraw/zinc/42/08/73/1024420873.db2.gz OWKCSMRMPGCUCY-BBRMVZONSA-N 2 2 312.442 3.740 20 0 DHADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1Cl ZINC000925778786 1024433844 /nfs/dbraw/zinc/43/38/44/1024433844.db2.gz KYWUEIBAKBNTKX-VHSXEESVSA-N 2 2 323.214 3.889 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000453308259 1024454953 /nfs/dbraw/zinc/45/49/53/1024454953.db2.gz MUHRZZSSYBVKAE-LPHOPBHVSA-N 2 2 315.505 3.708 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000453308259 1024454960 /nfs/dbraw/zinc/45/49/60/1024454960.db2.gz MUHRZZSSYBVKAE-LPHOPBHVSA-N 2 2 315.505 3.708 20 0 DHADLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc12 ZINC000271187800 1024468550 /nfs/dbraw/zinc/46/85/50/1024468550.db2.gz KRGBBYUYTZFPTI-UHFFFAOYSA-N 2 2 321.424 3.951 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000166401054 1024478839 /nfs/dbraw/zinc/47/88/39/1024478839.db2.gz FDAALWRHFCCHAL-IJEWVQPXSA-N 2 2 315.486 3.943 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000166401054 1024478848 /nfs/dbraw/zinc/47/88/48/1024478848.db2.gz FDAALWRHFCCHAL-IJEWVQPXSA-N 2 2 315.486 3.943 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502134 1024503210 /nfs/dbraw/zinc/50/32/10/1024503210.db2.gz XSOZXGJYXIUCQI-XJKSGUPXSA-N 2 2 315.486 3.911 20 0 DHADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453458260 1024524121 /nfs/dbraw/zinc/52/41/21/1024524121.db2.gz VTYOHLVBNJJZMD-RSPOEFSDSA-N 2 2 315.505 3.706 20 0 DHADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453458260 1024524131 /nfs/dbraw/zinc/52/41/31/1024524131.db2.gz VTYOHLVBNJJZMD-RSPOEFSDSA-N 2 2 315.505 3.706 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2cc(OC)ccc2c1 ZINC000643537407 1024538863 /nfs/dbraw/zinc/53/88/63/1024538863.db2.gz HBKXLLVRCBRIFK-LNLFQRSKSA-N 2 2 316.420 3.589 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2F ZINC000317428940 1024541346 /nfs/dbraw/zinc/54/13/46/1024541346.db2.gz KEETUHMPDWIEDH-DLBZAZTESA-N 2 2 301.409 3.714 20 0 DHADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000453614623 1024555781 /nfs/dbraw/zinc/55/57/81/1024555781.db2.gz PYUCTDOCENQJBD-FUHWJXTLSA-N 2 2 321.534 3.824 20 0 DHADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000453614623 1024555790 /nfs/dbraw/zinc/55/57/90/1024555790.db2.gz PYUCTDOCENQJBD-FUHWJXTLSA-N 2 2 321.534 3.824 20 0 DHADLP c1cnc2cccc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)c2c1 ZINC001137624780 1024564970 /nfs/dbraw/zinc/56/49/70/1024564970.db2.gz YOLITZZPKRPPGR-UHFFFAOYSA-N 2 2 319.408 3.673 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@@H](CC2CC2)c2ccccc2)CCSC1 ZINC000532248528 1024585015 /nfs/dbraw/zinc/58/50/15/1024585015.db2.gz VYZHBVKGVXSDPL-ROUUACIJSA-N 2 2 304.503 3.555 20 0 DHADLP C[C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001170161554 1024609843 /nfs/dbraw/zinc/60/98/43/1024609843.db2.gz OYVVXWJZGMBTDP-KXBFYZLASA-N 2 2 304.453 3.911 20 0 DHADLP C[C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001170161554 1024609850 /nfs/dbraw/zinc/60/98/50/1024609850.db2.gz OYVVXWJZGMBTDP-KXBFYZLASA-N 2 2 304.453 3.911 20 0 DHADLP C[C@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001170161553 1024610091 /nfs/dbraw/zinc/61/00/91/1024610091.db2.gz OYVVXWJZGMBTDP-HNAYVOBHSA-N 2 2 304.453 3.911 20 0 DHADLP C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001170161553 1024610094 /nfs/dbraw/zinc/61/00/94/1024610094.db2.gz OYVVXWJZGMBTDP-HNAYVOBHSA-N 2 2 304.453 3.911 20 0 DHADLP CO[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000283225558 1024612727 /nfs/dbraw/zinc/61/27/27/1024612727.db2.gz SZNONRWKGMUZRL-ZBFHGGJFSA-N 2 2 319.836 3.630 20 0 DHADLP CO[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000283225558 1024612735 /nfs/dbraw/zinc/61/27/35/1024612735.db2.gz SZNONRWKGMUZRL-ZBFHGGJFSA-N 2 2 319.836 3.630 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000221996719 1024613155 /nfs/dbraw/zinc/61/31/55/1024613155.db2.gz PBQSGMBHEGKEQS-BDAKNGLRSA-N 2 2 304.246 3.991 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCCCC2 ZINC000348264057 1024616858 /nfs/dbraw/zinc/61/68/58/1024616858.db2.gz VNPQETJAIFNYOT-OAHLLOKOSA-N 2 2 321.534 3.997 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC12CCCCC2 ZINC000348264057 1024616861 /nfs/dbraw/zinc/61/68/61/1024616861.db2.gz VNPQETJAIFNYOT-OAHLLOKOSA-N 2 2 321.534 3.997 20 0 DHADLP c1cn(-c2cccc(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC000348264212 1024617190 /nfs/dbraw/zinc/61/71/90/1024617190.db2.gz MYKDNMALXILKQB-AZUAARDMSA-N 2 2 303.409 3.766 20 0 DHADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000390914207 1024661800 /nfs/dbraw/zinc/66/18/00/1024661800.db2.gz ZXQMOYPRINYABQ-HXUWFJFHSA-N 2 2 323.484 3.780 20 0 DHADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000390914207 1024661808 /nfs/dbraw/zinc/66/18/08/1024661808.db2.gz ZXQMOYPRINYABQ-HXUWFJFHSA-N 2 2 323.484 3.780 20 0 DHADLP CCC[N@H+](CCc1ccccn1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349034498 1024663001 /nfs/dbraw/zinc/66/30/01/1024663001.db2.gz DJIUBKVFLORXHB-UHFFFAOYSA-N 2 2 320.440 3.722 20 0 DHADLP CCC[N@@H+](CCc1ccccn1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349034498 1024663012 /nfs/dbraw/zinc/66/30/12/1024663012.db2.gz DJIUBKVFLORXHB-UHFFFAOYSA-N 2 2 320.440 3.722 20 0 DHADLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)cc(C)c1OC(F)F ZINC000349354167 1024706796 /nfs/dbraw/zinc/70/67/96/1024706796.db2.gz SRRCBHGAEAVYHA-UHFFFAOYSA-N 2 2 323.387 3.623 20 0 DHADLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc(C)c1OC(F)F ZINC000349354167 1024706810 /nfs/dbraw/zinc/70/68/10/1024706810.db2.gz SRRCBHGAEAVYHA-UHFFFAOYSA-N 2 2 323.387 3.623 20 0 DHADLP Fc1cc(F)cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000349416101 1024716892 /nfs/dbraw/zinc/71/68/92/1024716892.db2.gz JCECLULCHZGSRK-UHFFFAOYSA-N 2 2 319.399 3.854 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001170265772 1024717706 /nfs/dbraw/zinc/71/77/06/1024717706.db2.gz JGSFGZLEZYSTCD-HNNXBMFYSA-N 2 2 306.881 3.831 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001170247337 1024721714 /nfs/dbraw/zinc/72/17/14/1024721714.db2.gz HYRCFBPHNRBBIK-HNNXBMFYSA-N 2 2 302.849 3.732 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001170247337 1024721718 /nfs/dbraw/zinc/72/17/18/1024721718.db2.gz HYRCFBPHNRBBIK-HNNXBMFYSA-N 2 2 302.849 3.732 20 0 DHADLP c1cn(C2CC[NH+](CCOc3cccc4ccccc43)CC2)c[nH+]1 ZINC000111244556 1024748959 /nfs/dbraw/zinc/74/89/59/1024748959.db2.gz VOXNQIIFLHTRJA-UHFFFAOYSA-N 2 2 321.424 3.752 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3c2cccc3C)cn1 ZINC000126322190 1033236449 /nfs/dbraw/zinc/23/64/49/1033236449.db2.gz PBAWTKLFILYQAL-IBGZPJMESA-N 2 2 318.424 3.661 20 0 DHADLP Cc1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cs1 ZINC000648462553 1024848729 /nfs/dbraw/zinc/84/87/29/1024848729.db2.gz JMESGCVOIZULRX-KRWDZBQOSA-N 2 2 311.454 3.864 20 0 DHADLP CCc1cccc(F)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000792947105 1024852801 /nfs/dbraw/zinc/85/28/01/1024852801.db2.gz UFUZJPBEGIRFMZ-UHFFFAOYSA-N 2 2 309.388 3.864 20 0 DHADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@@H]1CC1(F)F ZINC000877130778 1033249709 /nfs/dbraw/zinc/24/97/09/1033249709.db2.gz NYMWOKNGZUTJLG-DYVFJYSZSA-N 2 2 323.431 3.673 20 0 DHADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@H]1CC1(F)F ZINC000877130776 1033249802 /nfs/dbraw/zinc/24/98/02/1033249802.db2.gz NYMWOKNGZUTJLG-CXAGYDPISA-N 2 2 323.431 3.673 20 0 DHADLP Cc1cccc(N(C)c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)c1 ZINC001204675470 1025042858 /nfs/dbraw/zinc/04/28/58/1025042858.db2.gz PFWRBYQOYJHXCN-UHFFFAOYSA-N 2 2 309.457 3.558 20 0 DHADLP Cc1cccc(N(C)c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)c1 ZINC001204675470 1025042905 /nfs/dbraw/zinc/04/29/05/1025042905.db2.gz PFWRBYQOYJHXCN-UHFFFAOYSA-N 2 2 309.457 3.558 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000120986743 1025068033 /nfs/dbraw/zinc/06/80/33/1025068033.db2.gz BUCNUWRJRDKJQL-CYBMUJFWSA-N 2 2 304.409 3.894 20 0 DHADLP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CC[NH+]1CCCC1 ZINC001172564547 1033257899 /nfs/dbraw/zinc/25/78/99/1033257899.db2.gz IRITWUZFIQMYEL-LBPRGKRZSA-N 2 2 316.823 3.625 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000353630008 1025164973 /nfs/dbraw/zinc/16/49/73/1025164973.db2.gz LNQSMRMVQUZXCI-HOCLYGCPSA-N 2 2 315.848 3.978 20 0 DHADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623424858 1025218998 /nfs/dbraw/zinc/21/89/98/1025218998.db2.gz HXJPVCXQQJXBQU-HUUCEWRRSA-N 2 2 314.477 3.580 20 0 DHADLP CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623424858 1025219001 /nfs/dbraw/zinc/21/90/01/1025219001.db2.gz HXJPVCXQQJXBQU-HUUCEWRRSA-N 2 2 314.477 3.580 20 0 DHADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)s2)o1 ZINC000353754188 1025238396 /nfs/dbraw/zinc/23/83/96/1025238396.db2.gz YQSWAODOMYWFSD-JSGCOSHPSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1ccc(-c2ncc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)s2)o1 ZINC000353754188 1025238402 /nfs/dbraw/zinc/23/84/02/1025238402.db2.gz YQSWAODOMYWFSD-JSGCOSHPSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1ccc(-c2ncc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)s2)o1 ZINC000353754188 1025238407 /nfs/dbraw/zinc/23/84/07/1025238407.db2.gz YQSWAODOMYWFSD-JSGCOSHPSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1ccc(-c2ncc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)s2)o1 ZINC000353754188 1025238416 /nfs/dbraw/zinc/23/84/16/1025238416.db2.gz YQSWAODOMYWFSD-JSGCOSHPSA-N 2 2 319.474 3.626 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)C2 ZINC000112539983 1025250318 /nfs/dbraw/zinc/25/03/18/1025250318.db2.gz JYRQZMRBAUKXID-DGCLKSJQSA-N 2 2 307.800 3.650 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]3Cc3ccccc3)cc2)c[nH+]1 ZINC000353978720 1025309781 /nfs/dbraw/zinc/30/97/81/1025309781.db2.gz MZYAQGCCZMXXRH-FQEVSTJZSA-N 2 2 303.409 3.689 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]3Cc3ccccc3)cc2)c[nH+]1 ZINC000353978720 1025309790 /nfs/dbraw/zinc/30/97/90/1025309790.db2.gz MZYAQGCCZMXXRH-FQEVSTJZSA-N 2 2 303.409 3.689 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccc(F)cn1)C(C)C)CCC2 ZINC000354089709 1025347040 /nfs/dbraw/zinc/34/70/40/1025347040.db2.gz FPLHQKWJWUWQHB-PBHICJAKSA-N 2 2 316.424 3.590 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC000354207261 1025381160 /nfs/dbraw/zinc/38/11/60/1025381160.db2.gz LPGOLHAEUDQLDV-NVXWUHKLSA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC000354207261 1025381175 /nfs/dbraw/zinc/38/11/75/1025381175.db2.gz LPGOLHAEUDQLDV-NVXWUHKLSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC000354207261 1025381184 /nfs/dbraw/zinc/38/11/84/1025381184.db2.gz LPGOLHAEUDQLDV-NVXWUHKLSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC000354207261 1025381198 /nfs/dbraw/zinc/38/11/98/1025381198.db2.gz LPGOLHAEUDQLDV-NVXWUHKLSA-N 2 2 313.445 3.646 20 0 DHADLP Cc1nc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000354396276 1025421404 /nfs/dbraw/zinc/42/14/04/1025421404.db2.gz UBLSWUVTRCYQCK-QAPCUYQASA-N 2 2 310.445 3.649 20 0 DHADLP Cc1nc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000354396276 1025421408 /nfs/dbraw/zinc/42/14/08/1025421408.db2.gz UBLSWUVTRCYQCK-QAPCUYQASA-N 2 2 310.445 3.649 20 0 DHADLP Cc1coc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000886000267 1025434266 /nfs/dbraw/zinc/43/42/66/1025434266.db2.gz ZEAIXMAYBQUEJR-YOEHRIQHSA-N 2 2 304.459 3.822 20 0 DHADLP Cc1coc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000886000267 1025434275 /nfs/dbraw/zinc/43/42/75/1025434275.db2.gz ZEAIXMAYBQUEJR-YOEHRIQHSA-N 2 2 304.459 3.822 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000144765855 1025467088 /nfs/dbraw/zinc/46/70/88/1025467088.db2.gz FAEMZOKQVAUDDS-INIZCTEOSA-N 2 2 301.434 3.803 20 0 DHADLP CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000354681458 1025477636 /nfs/dbraw/zinc/47/76/36/1025477636.db2.gz UXGHXMWKQCPESF-JTQLQIEISA-N 2 2 303.353 3.754 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000354681459 1025478682 /nfs/dbraw/zinc/47/86/82/1025478682.db2.gz UXGHXMWKQCPESF-SNVBAGLBSA-N 2 2 303.353 3.754 20 0 DHADLP C[C@H](CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)OCc1ccccc1 ZINC000354699184 1025481258 /nfs/dbraw/zinc/48/12/58/1025481258.db2.gz FMZLXCZMDKKVPM-SJLPKXTDSA-N 2 2 313.445 3.585 20 0 DHADLP C[C@H](CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)OCc1ccccc1 ZINC000354699184 1025481276 /nfs/dbraw/zinc/48/12/76/1025481276.db2.gz FMZLXCZMDKKVPM-SJLPKXTDSA-N 2 2 313.445 3.585 20 0 DHADLP Cc1cc(NCc2ccccc2C[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC000354774279 1025502562 /nfs/dbraw/zinc/50/25/62/1025502562.db2.gz UVAUMNYNWXOKME-UHFFFAOYSA-N 2 2 324.472 4.116 20 0 DHADLP CC(C)C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCc2cccnc21 ZINC000127011962 1025529312 /nfs/dbraw/zinc/52/93/12/1025529312.db2.gz HGNRQYCUDMBCDU-GOSISDBHSA-N 2 2 312.461 3.704 20 0 DHADLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCc2cccnc21 ZINC000127011962 1025529319 /nfs/dbraw/zinc/52/93/19/1025529319.db2.gz HGNRQYCUDMBCDU-GOSISDBHSA-N 2 2 312.461 3.704 20 0 DHADLP COc1c(F)cccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001143533479 1025549622 /nfs/dbraw/zinc/54/96/22/1025549622.db2.gz CKOFNZUGBGKEGH-UHFFFAOYSA-N 2 2 320.452 3.673 20 0 DHADLP COc1c(F)cccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001143533479 1025549637 /nfs/dbraw/zinc/54/96/37/1025549637.db2.gz CKOFNZUGBGKEGH-UHFFFAOYSA-N 2 2 320.452 3.673 20 0 DHADLP Fc1cccc(F)c1-c1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000237791281 1025579591 /nfs/dbraw/zinc/57/95/91/1025579591.db2.gz AWAIBEWHMMRUEI-UHFFFAOYSA-N 2 2 320.383 3.800 20 0 DHADLP CC(C)(C)c1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000047972601 1025640670 /nfs/dbraw/zinc/64/06/70/1025640670.db2.gz KSRYEDYFZBTROI-UHFFFAOYSA-N 2 2 321.534 3.748 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886502792 1025658169 /nfs/dbraw/zinc/65/81/69/1025658169.db2.gz OKWZBUYDUCSENY-PXAZEXFGSA-N 2 2 312.392 3.559 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3ccc(C)c(Cl)n3)CC2)[nH+]c1C ZINC000886659180 1025765469 /nfs/dbraw/zinc/76/54/69/1025765469.db2.gz FLVNQJANVGJLPA-UHFFFAOYSA-N 2 2 318.852 3.763 20 0 DHADLP C[NH+](C)C1CCN(c2ccc([NH2+][C@@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000806155398 1025813912 /nfs/dbraw/zinc/81/39/12/1025813912.db2.gz QKBUPPNEXWUUJG-VQTJNVASSA-N 2 2 313.489 3.818 20 0 DHADLP CC[C@H]1CC[C@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000806154560 1025814730 /nfs/dbraw/zinc/81/47/30/1025814730.db2.gz HSSOAGQVCOEHBI-HNAYVOBHSA-N 2 2 301.478 3.818 20 0 DHADLP COc1cccc([C@H](C)[NH+]2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1 ZINC000134697390 1025815260 /nfs/dbraw/zinc/81/52/60/1025815260.db2.gz FEYIFKCXQIFZCC-HOTGVXAUSA-N 2 2 302.462 3.705 20 0 DHADLP COc1cccc([C@H](C)[NH+]2CCC([N@H+]3CCC[C@@H]3C)CC2)c1 ZINC000134697390 1025815278 /nfs/dbraw/zinc/81/52/78/1025815278.db2.gz FEYIFKCXQIFZCC-HOTGVXAUSA-N 2 2 302.462 3.705 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411248012 1025893811 /nfs/dbraw/zinc/89/38/11/1025893811.db2.gz SRMQISGITZYZBJ-OKZBNKHCSA-N 2 2 313.420 3.778 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411248012 1025893831 /nfs/dbraw/zinc/89/38/31/1025893831.db2.gz SRMQISGITZYZBJ-OKZBNKHCSA-N 2 2 313.420 3.778 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2nc(C)ccc2c1 ZINC000187455266 1025962696 /nfs/dbraw/zinc/96/26/96/1025962696.db2.gz WZTPQMJWWGEIGI-MOPGFXCFSA-N 2 2 309.457 3.602 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2nc(C)ccc2c1 ZINC000187455266 1025962699 /nfs/dbraw/zinc/96/26/99/1025962699.db2.gz WZTPQMJWWGEIGI-MOPGFXCFSA-N 2 2 309.457 3.602 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2nc(C)ccc2c1 ZINC000187455266 1025962704 /nfs/dbraw/zinc/96/27/04/1025962704.db2.gz WZTPQMJWWGEIGI-MOPGFXCFSA-N 2 2 309.457 3.602 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2nc(C)ccc2c1 ZINC000187455266 1025962707 /nfs/dbraw/zinc/96/27/07/1025962707.db2.gz WZTPQMJWWGEIGI-MOPGFXCFSA-N 2 2 309.457 3.602 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000356302034 1026015422 /nfs/dbraw/zinc/01/54/22/1026015422.db2.gz MRQIBGLYCCQHNT-GXFFZTMASA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cscc1C(F)(F)F ZINC000356302034 1026015373 /nfs/dbraw/zinc/01/53/73/1026015373.db2.gz MRQIBGLYCCQHNT-GXFFZTMASA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cscc1C(F)(F)F ZINC000356302034 1026015388 /nfs/dbraw/zinc/01/53/88/1026015388.db2.gz MRQIBGLYCCQHNT-GXFFZTMASA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cscc1C(F)(F)F ZINC000356302034 1026015406 /nfs/dbraw/zinc/01/54/06/1026015406.db2.gz MRQIBGLYCCQHNT-GXFFZTMASA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cscc1C(F)(F)F ZINC000356302037 1026016295 /nfs/dbraw/zinc/01/62/95/1026016295.db2.gz MRQIBGLYCCQHNT-ZWNOBZJWSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cscc1C(F)(F)F ZINC000356302037 1026016309 /nfs/dbraw/zinc/01/63/09/1026016309.db2.gz MRQIBGLYCCQHNT-ZWNOBZJWSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cscc1C(F)(F)F ZINC000356302037 1026016328 /nfs/dbraw/zinc/01/63/28/1026016328.db2.gz MRQIBGLYCCQHNT-ZWNOBZJWSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cscc1C(F)(F)F ZINC000356302037 1026016348 /nfs/dbraw/zinc/01/63/48/1026016348.db2.gz MRQIBGLYCCQHNT-ZWNOBZJWSA-N 2 2 306.397 3.539 20 0 DHADLP C[C@H](c1cccnc1)[NH+](C)CCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000245542789 1026067687 /nfs/dbraw/zinc/06/76/87/1026067687.db2.gz RVTWKRIPWPUPGN-IAGOWNOFSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H](c1cccnc1)[NH+](C)CCC[N@H+](C)[C@H](C)c1cccnc1 ZINC000245542789 1026067701 /nfs/dbraw/zinc/06/77/01/1026067701.db2.gz RVTWKRIPWPUPGN-IAGOWNOFSA-N 2 2 312.461 3.553 20 0 DHADLP FC(F)Oc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052441794 1026238275 /nfs/dbraw/zinc/23/82/75/1026238275.db2.gz BDKALSKMEMZXPV-UHFFFAOYSA-N 2 2 324.415 3.738 20 0 DHADLP COc1ccsc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513416232 1026501506 /nfs/dbraw/zinc/50/15/06/1026501506.db2.gz MNQPWVZYVUJDTB-MRXNPFEDSA-N 2 2 322.518 3.845 20 0 DHADLP COc1ccsc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513416232 1026501513 /nfs/dbraw/zinc/50/15/13/1026501513.db2.gz MNQPWVZYVUJDTB-MRXNPFEDSA-N 2 2 322.518 3.845 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000513488285 1026525858 /nfs/dbraw/zinc/52/58/58/1026525858.db2.gz SDWVZFUIDXFDKA-CXAGYDPISA-N 2 2 308.416 3.806 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000513488285 1026525862 /nfs/dbraw/zinc/52/58/62/1026525862.db2.gz SDWVZFUIDXFDKA-CXAGYDPISA-N 2 2 308.416 3.806 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(C3CCCCC3)CC2)s1 ZINC000809548071 1026557699 /nfs/dbraw/zinc/55/76/99/1026557699.db2.gz AMFOHWZVXARYGU-UHFFFAOYSA-N 2 2 321.534 3.997 20 0 DHADLP Cc1ccc([C@H]2CC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000809639684 1026580518 /nfs/dbraw/zinc/58/05/18/1026580518.db2.gz ZFXZYLKMAXKTPU-INIZCTEOSA-N 2 2 315.486 3.503 20 0 DHADLP Cc1ccc([C@H]2CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000809639684 1026580525 /nfs/dbraw/zinc/58/05/25/1026580525.db2.gz ZFXZYLKMAXKTPU-INIZCTEOSA-N 2 2 315.486 3.503 20 0 DHADLP Cc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)o1 ZINC000809750068 1026614407 /nfs/dbraw/zinc/61/44/07/1026614407.db2.gz VIJNYENOPBLDEO-UHFFFAOYSA-N 2 2 301.434 3.785 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000280236825 1026620190 /nfs/dbraw/zinc/62/01/90/1026620190.db2.gz HTIYHHYPRYIJFF-CHWSQXEVSA-N 2 2 311.351 3.511 20 0 DHADLP CC1(C)CC([NH2+]Cc2ccnc(Cl)c2Cl)CC(C)(C)[NH2+]1 ZINC000811487486 1027010525 /nfs/dbraw/zinc/01/05/25/1027010525.db2.gz YJPZXQSBPPXNLE-UHFFFAOYSA-N 2 2 316.276 3.787 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccncc1Cl ZINC000421822929 1027057688 /nfs/dbraw/zinc/05/76/88/1027057688.db2.gz BROWHYRMVHVGRQ-CYBMUJFWSA-N 2 2 304.825 3.673 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccncc1Cl ZINC000421828775 1027060931 /nfs/dbraw/zinc/06/09/31/1027060931.db2.gz FFDVTGSBKAMRSD-CYBMUJFWSA-N 2 2 307.869 3.793 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)c[nH+]1 ZINC000561987462 1027164210 /nfs/dbraw/zinc/16/42/10/1027164210.db2.gz IOMPQKTXWWLUEN-WOJBJXKFSA-N 2 2 309.457 3.990 20 0 DHADLP FC1(F)[C@@H]2C[C@@H](C[NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)C[C@@H]21 ZINC000931706933 1027225801 /nfs/dbraw/zinc/22/58/01/1027225801.db2.gz KOKXAJZIJCWVSQ-LLLHUVSDSA-N 2 2 317.383 3.505 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3coc(C(C)(C)C)n3)CC2)[nH+]c1C ZINC000931748173 1027241495 /nfs/dbraw/zinc/24/14/95/1027241495.db2.gz JZZYYTWDLDUCHG-UHFFFAOYSA-N 2 2 316.449 3.692 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000422562027 1027282447 /nfs/dbraw/zinc/28/24/47/1027282447.db2.gz PAIOSMKERQSIDB-UPJWGTAASA-N 2 2 321.515 3.677 20 0 DHADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000422562027 1027282458 /nfs/dbraw/zinc/28/24/58/1027282458.db2.gz PAIOSMKERQSIDB-UPJWGTAASA-N 2 2 321.515 3.677 20 0 DHADLP C[C@H](C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)[NH+](C)C ZINC000924957093 1027296759 /nfs/dbraw/zinc/29/67/59/1027296759.db2.gz KCQYDZQAQKKSAF-SECBINFHSA-N 2 2 308.310 3.580 20 0 DHADLP CSCc1cc(F)ccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422862481 1027342482 /nfs/dbraw/zinc/34/24/82/1027342482.db2.gz KKDJBYRWRLRPCZ-ROUUACIJSA-N 2 2 316.445 3.923 20 0 DHADLP C[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1c[nH+]ccc1N ZINC000422853552 1027342524 /nfs/dbraw/zinc/34/25/24/1027342524.db2.gz ZCMUAWHKYLPWND-BONVTDFDSA-N 2 2 303.406 3.521 20 0 DHADLP C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000423013276 1027389267 /nfs/dbraw/zinc/38/92/67/1027389267.db2.gz FLZDPKZRWYTEKE-XFBWCDHKSA-N 2 2 312.379 3.887 20 0 DHADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423059493 1027403679 /nfs/dbraw/zinc/40/36/79/1027403679.db2.gz MCKZAIMZGMEBDU-MOPGFXCFSA-N 2 2 309.457 3.766 20 0 DHADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)c1cccnc1 ZINC000574558409 1027403917 /nfs/dbraw/zinc/40/39/17/1027403917.db2.gz IMLUDNUZIJYCLE-CQSZACIVSA-N 2 2 312.442 3.912 20 0 DHADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)c1cccnc1 ZINC000574558409 1027403927 /nfs/dbraw/zinc/40/39/27/1027403927.db2.gz IMLUDNUZIJYCLE-CQSZACIVSA-N 2 2 312.442 3.912 20 0 DHADLP COC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000423131184 1027423792 /nfs/dbraw/zinc/42/37/92/1027423792.db2.gz ZNDBBKIAUYDXQW-SQNIBIBYSA-N 2 2 316.832 3.762 20 0 DHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423190401 1027450046 /nfs/dbraw/zinc/45/00/46/1027450046.db2.gz NWKIOOWGOVFIAJ-YJBOKZPZSA-N 2 2 310.441 3.765 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCCc2c(F)cccc2Cl)C[N@@H+]1C1CC1 ZINC000562505369 1027467006 /nfs/dbraw/zinc/46/70/06/1027467006.db2.gz GUIAFBIYNAYAOT-STQMWFEESA-N 2 2 310.844 3.627 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCCc2c(F)cccc2Cl)C[N@H+]1C1CC1 ZINC000562505369 1027467013 /nfs/dbraw/zinc/46/70/13/1027467013.db2.gz GUIAFBIYNAYAOT-STQMWFEESA-N 2 2 310.844 3.627 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000295872351 1027471551 /nfs/dbraw/zinc/47/15/51/1027471551.db2.gz HESZEZASCDEXRH-HNNXBMFYSA-N 2 2 311.429 3.619 20 0 DHADLP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423241336 1027472613 /nfs/dbraw/zinc/47/26/13/1027472613.db2.gz LJVFQGVFGOFICJ-UXHICEINSA-N 2 2 312.457 3.517 20 0 DHADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1OCc1ccccc1 ZINC000423329569 1027511435 /nfs/dbraw/zinc/51/14/35/1027511435.db2.gz SZSZZZQTPMXHFW-KXBFYZLASA-N 2 2 310.441 3.654 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc2ccccc2c1OC(F)F ZINC000423332841 1027515544 /nfs/dbraw/zinc/51/55/44/1027515544.db2.gz RHVBTQJDFIDRKR-GFCCVEGCSA-N 2 2 320.383 3.973 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423370808 1027524679 /nfs/dbraw/zinc/52/46/79/1027524679.db2.gz UOHNLHMXZFINSM-WWGRRREGSA-N 2 2 315.486 3.767 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423389344 1027530060 /nfs/dbraw/zinc/53/00/60/1027530060.db2.gz JJKKDBKBYUMTKF-FFZOFVMBSA-N 2 2 312.457 3.634 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000423385570 1027531560 /nfs/dbraw/zinc/53/15/60/1027531560.db2.gz RCDHWKWLYIQHLN-IPYPFGDCSA-N 2 2 301.459 3.601 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)cc1Cl ZINC000575956395 1027535345 /nfs/dbraw/zinc/53/53/45/1027535345.db2.gz RVSXKVUOUYMLIH-IAQYHMDHSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)cc1Cl ZINC000575956395 1027535353 /nfs/dbraw/zinc/53/53/53/1027535353.db2.gz RVSXKVUOUYMLIH-IAQYHMDHSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000575956395 1027535362 /nfs/dbraw/zinc/53/53/62/1027535362.db2.gz RVSXKVUOUYMLIH-IAQYHMDHSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000575956395 1027535371 /nfs/dbraw/zinc/53/53/71/1027535371.db2.gz RVSXKVUOUYMLIH-IAQYHMDHSA-N 2 2 301.261 3.765 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423503638 1027567978 /nfs/dbraw/zinc/56/79/78/1027567978.db2.gz MYJVOZQEPLQOCE-MOPGFXCFSA-N 2 2 310.441 3.622 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000363356039 1027607044 /nfs/dbraw/zinc/60/70/44/1027607044.db2.gz JXNQKYCRDIVASM-LBPRGKRZSA-N 2 2 324.881 3.781 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc(Cl)s1 ZINC000363356039 1027607049 /nfs/dbraw/zinc/60/70/49/1027607049.db2.gz JXNQKYCRDIVASM-LBPRGKRZSA-N 2 2 324.881 3.781 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000363459113 1027641381 /nfs/dbraw/zinc/64/13/81/1027641381.db2.gz HIBUSHALLLWDAW-NVXWUHKLSA-N 2 2 313.445 3.839 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000363459113 1027641384 /nfs/dbraw/zinc/64/13/84/1027641384.db2.gz HIBUSHALLLWDAW-NVXWUHKLSA-N 2 2 313.445 3.839 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000363459113 1027641391 /nfs/dbraw/zinc/64/13/91/1027641391.db2.gz HIBUSHALLLWDAW-NVXWUHKLSA-N 2 2 313.445 3.839 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000363459113 1027641395 /nfs/dbraw/zinc/64/13/95/1027641395.db2.gz HIBUSHALLLWDAW-NVXWUHKLSA-N 2 2 313.445 3.839 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(F)nc2)c(C)c1 ZINC000778171852 1027733162 /nfs/dbraw/zinc/73/31/62/1027733162.db2.gz SRZGFMISNCPGDV-GOSISDBHSA-N 2 2 324.403 3.565 20 0 DHADLP C([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527751338 1027876731 /nfs/dbraw/zinc/87/67/31/1027876731.db2.gz GQZALKCJGMGROE-AJYBTWMASA-N 2 2 320.521 3.578 20 0 DHADLP C([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527751338 1027876751 /nfs/dbraw/zinc/87/67/51/1027876751.db2.gz GQZALKCJGMGROE-AJYBTWMASA-N 2 2 320.521 3.578 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1F ZINC000527813604 1027897892 /nfs/dbraw/zinc/89/78/92/1027897892.db2.gz YRLAWKHQDJLWSJ-MJSXRHKHSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1F ZINC000527813604 1027897912 /nfs/dbraw/zinc/89/79/12/1027897912.db2.gz YRLAWKHQDJLWSJ-MJSXRHKHSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000527805476 1027906293 /nfs/dbraw/zinc/90/62/93/1027906293.db2.gz AORYAMIZGOPSPF-LIMHQNJXSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000527805476 1027906311 /nfs/dbraw/zinc/90/63/11/1027906311.db2.gz AORYAMIZGOPSPF-LIMHQNJXSA-N 2 2 306.400 3.585 20 0 DHADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527952529 1027987703 /nfs/dbraw/zinc/98/77/03/1027987703.db2.gz UGEYDMVSEQFPEG-PXNSSMCTSA-N 2 2 313.489 3.930 20 0 DHADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527952529 1027987720 /nfs/dbraw/zinc/98/77/20/1027987720.db2.gz UGEYDMVSEQFPEG-PXNSSMCTSA-N 2 2 313.489 3.930 20 0 DHADLP c1ccc2c(c1)cc[nH+]c2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000527930901 1027990827 /nfs/dbraw/zinc/99/08/27/1027990827.db2.gz JVWQCFUAORADBW-APWZRJJASA-N 2 2 307.441 3.688 20 0 DHADLP c1ccc2c(c1)cc[nH+]c2N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000527930901 1027990839 /nfs/dbraw/zinc/99/08/39/1027990839.db2.gz JVWQCFUAORADBW-APWZRJJASA-N 2 2 307.441 3.688 20 0 DHADLP Fc1ccccc1C1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528000596 1028023806 /nfs/dbraw/zinc/02/38/06/1028023806.db2.gz JPLQMDQAGINMPQ-DQPZFDDXSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccccc1C1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528000596 1028023826 /nfs/dbraw/zinc/02/38/26/1028023826.db2.gz JPLQMDQAGINMPQ-DQPZFDDXSA-N 2 2 302.437 3.678 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000528007827 1028035483 /nfs/dbraw/zinc/03/54/83/1028035483.db2.gz CPEYFPLJSBQSTA-UZLBHIALSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000528007827 1028035493 /nfs/dbraw/zinc/03/54/93/1028035493.db2.gz CPEYFPLJSBQSTA-UZLBHIALSA-N 2 2 324.472 3.540 20 0 DHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578263360 1028104356 /nfs/dbraw/zinc/10/43/56/1028104356.db2.gz ASMDZMFUNXBNBE-YATRRXNKSA-N 2 2 320.427 3.642 20 0 DHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578263360 1028104364 /nfs/dbraw/zinc/10/43/64/1028104364.db2.gz ASMDZMFUNXBNBE-YATRRXNKSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578263360 1028104372 /nfs/dbraw/zinc/10/43/72/1028104372.db2.gz ASMDZMFUNXBNBE-YATRRXNKSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000578263360 1028104384 /nfs/dbraw/zinc/10/43/84/1028104384.db2.gz ASMDZMFUNXBNBE-YATRRXNKSA-N 2 2 320.427 3.642 20 0 DHADLP CC(C)SCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000366979927 1028117887 /nfs/dbraw/zinc/11/78/87/1028117887.db2.gz DVFJHATZZMIHTJ-OAHLLOKOSA-N 2 2 307.507 3.540 20 0 DHADLP CC(C)SCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000366979927 1028117896 /nfs/dbraw/zinc/11/78/96/1028117896.db2.gz DVFJHATZZMIHTJ-OAHLLOKOSA-N 2 2 307.507 3.540 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc3occc3c2)c[nH+]1 ZINC000367207819 1028148958 /nfs/dbraw/zinc/14/89/58/1028148958.db2.gz ZJLBJFLLYVPKSM-UHFFFAOYSA-N 2 2 303.365 3.908 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470851 1028159509 /nfs/dbraw/zinc/15/95/09/1028159509.db2.gz VRETUOYLJHZDOR-IUODEOHRSA-N 2 2 306.837 3.858 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470851 1028159515 /nfs/dbraw/zinc/15/95/15/1028159515.db2.gz VRETUOYLJHZDOR-IUODEOHRSA-N 2 2 306.837 3.858 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470851 1028159518 /nfs/dbraw/zinc/15/95/18/1028159518.db2.gz VRETUOYLJHZDOR-IUODEOHRSA-N 2 2 306.837 3.858 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1c(Cl)oc2ccccc21 ZINC000578470851 1028159521 /nfs/dbraw/zinc/15/95/21/1028159521.db2.gz VRETUOYLJHZDOR-IUODEOHRSA-N 2 2 306.837 3.858 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000367392339 1028179089 /nfs/dbraw/zinc/17/90/89/1028179089.db2.gz OSQAIJPBEKYEPR-KDOFPFPSSA-N 2 2 320.440 3.655 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnoc2C2CC2)cc1 ZINC000367819663 1028245266 /nfs/dbraw/zinc/24/52/66/1028245266.db2.gz DMZAQGRIMVRLGT-ZDUSSCGKSA-N 2 2 322.412 3.897 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101764 1028297645 /nfs/dbraw/zinc/29/76/45/1028297645.db2.gz LEMNZPUJZHWSPO-HUBLWGQQSA-N 2 2 303.837 3.702 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1OC(F)F ZINC000368101927 1028298395 /nfs/dbraw/zinc/29/83/95/1028298395.db2.gz LSQSUPAMMKEFNH-DGCLKSJQSA-N 2 2 321.371 3.609 20 0 DHADLP Cc1cc2cc([C@@H](C)[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)oc2cc1C ZINC000368105664 1028303551 /nfs/dbraw/zinc/30/35/51/1028303551.db2.gz VGSADKVQJUXJAX-HIFRSBDPSA-N 2 2 309.413 3.981 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000368105390 1028305621 /nfs/dbraw/zinc/30/56/21/1028305621.db2.gz RFKYYEVMASRIJD-RYUDHWBXSA-N 2 2 321.371 3.528 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCCC23CCC3)[nH+]1 ZINC000449074945 1028338818 /nfs/dbraw/zinc/33/88/18/1028338818.db2.gz QECYTVWGAHTVOL-GOSISDBHSA-N 2 2 309.457 3.786 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449079218 1028339571 /nfs/dbraw/zinc/33/95/71/1028339571.db2.gz XWXJGDRQVMFEAQ-INIZCTEOSA-N 3 2 320.525 3.540 20 0 DHADLP Cc1cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cs1 ZINC000449077276 1028341297 /nfs/dbraw/zinc/34/12/97/1028341297.db2.gz VMDBFUXITDSRSN-UHFFFAOYSA-N 2 2 311.454 3.634 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000579186098 1028343576 /nfs/dbraw/zinc/34/35/76/1028343576.db2.gz VYVQYYQHSZUKNV-MRXNPFEDSA-N 2 2 323.444 3.809 20 0 DHADLP Cn1cc([C@H]2[C@@H](C[NH2+]C3CCCCCCC3)CCC[N@@H+]2C)cn1 ZINC000368401735 1028349405 /nfs/dbraw/zinc/34/94/05/1028349405.db2.gz GARVLXHQFFMLKS-VQIMIIECSA-N 2 2 318.509 3.506 20 0 DHADLP Cn1cc([C@H]2[C@@H](C[NH2+]C3CCCCCCC3)CCC[N@H+]2C)cn1 ZINC000368401735 1028349425 /nfs/dbraw/zinc/34/94/25/1028349425.db2.gz GARVLXHQFFMLKS-VQIMIIECSA-N 2 2 318.509 3.506 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)CC3CCCC3)sc2C1 ZINC000368611290 1028380301 /nfs/dbraw/zinc/38/03/01/1028380301.db2.gz FOWBUXLFUFHEKQ-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)CC3CCCC3)sc2C1 ZINC000368611290 1028380317 /nfs/dbraw/zinc/38/03/17/1028380317.db2.gz FOWBUXLFUFHEKQ-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)CC3CCCC3)sc2C1 ZINC000368611290 1028380336 /nfs/dbraw/zinc/38/03/36/1028380336.db2.gz FOWBUXLFUFHEKQ-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)CC3CCCC3)sc2C1 ZINC000368611290 1028380352 /nfs/dbraw/zinc/38/03/52/1028380352.db2.gz FOWBUXLFUFHEKQ-UHFFFAOYSA-N 2 2 307.507 3.532 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000449175164 1028417691 /nfs/dbraw/zinc/41/76/91/1028417691.db2.gz QPARTIYLYRJQLO-SJLPKXTDSA-N 3 2 323.569 3.738 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000449175164 1028417700 /nfs/dbraw/zinc/41/77/00/1028417700.db2.gz QPARTIYLYRJQLO-SJLPKXTDSA-N 3 2 323.569 3.738 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000449175162 1028418733 /nfs/dbraw/zinc/41/87/33/1028418733.db2.gz QPARTIYLYRJQLO-AEFFLSMTSA-N 3 2 323.569 3.738 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000449175162 1028418744 /nfs/dbraw/zinc/41/87/44/1028418744.db2.gz QPARTIYLYRJQLO-AEFFLSMTSA-N 3 2 323.569 3.738 20 0 DHADLP CC(C)[NH+](CCC[NH2+]Cc1ccnn1C1CCCC1)C(C)C ZINC000449186894 1028439119 /nfs/dbraw/zinc/43/91/19/1028439119.db2.gz PQRUGYZSDBBXBZ-UHFFFAOYSA-N 2 2 306.498 3.597 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000369256772 1028465044 /nfs/dbraw/zinc/46/50/44/1028465044.db2.gz HARIMHNSOYSLAR-MRXNPFEDSA-N 2 2 318.852 3.720 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)cn1 ZINC000369256772 1028465050 /nfs/dbraw/zinc/46/50/50/1028465050.db2.gz HARIMHNSOYSLAR-MRXNPFEDSA-N 2 2 318.852 3.720 20 0 DHADLP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cs1 ZINC000449263828 1028516396 /nfs/dbraw/zinc/51/63/96/1028516396.db2.gz MHIACQKVWMIGHH-ROUUACIJSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cs1 ZINC000449263828 1028516408 /nfs/dbraw/zinc/51/64/08/1028516408.db2.gz MHIACQKVWMIGHH-ROUUACIJSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cs1 ZINC000449263828 1028516420 /nfs/dbraw/zinc/51/64/20/1028516420.db2.gz MHIACQKVWMIGHH-ROUUACIJSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cs1 ZINC000449263828 1028516427 /nfs/dbraw/zinc/51/64/27/1028516427.db2.gz MHIACQKVWMIGHH-ROUUACIJSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2C)cn1 ZINC000815561619 1028544992 /nfs/dbraw/zinc/54/49/92/1028544992.db2.gz KSCZPFRLYCYFRX-CQSZACIVSA-N 2 2 324.403 3.874 20 0 DHADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC(C)(F)F)ccc1OC ZINC000815644584 1028589360 /nfs/dbraw/zinc/58/93/60/1028589360.db2.gz GMIQGKJBVSBIMM-CYBMUJFWSA-N 2 2 314.420 3.843 20 0 DHADLP Cc1sc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nc1-c1ccccc1 ZINC000370675931 1028635070 /nfs/dbraw/zinc/63/50/70/1028635070.db2.gz GTHANRZXEYMGCO-BBRMVZONSA-N 2 2 315.486 3.691 20 0 DHADLP Cc1sc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nc1-c1ccccc1 ZINC000370675931 1028635077 /nfs/dbraw/zinc/63/50/77/1028635077.db2.gz GTHANRZXEYMGCO-BBRMVZONSA-N 2 2 315.486 3.691 20 0 DHADLP c1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)c2)nc1 ZINC000566225483 1028690403 /nfs/dbraw/zinc/69/04/03/1028690403.db2.gz QBQOCOYJSHHLMS-RTWAWAEBSA-N 2 2 321.468 3.855 20 0 DHADLP c1ccc(-c2cccc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)c2)nc1 ZINC000566225483 1028690411 /nfs/dbraw/zinc/69/04/11/1028690411.db2.gz QBQOCOYJSHHLMS-RTWAWAEBSA-N 2 2 321.468 3.855 20 0 DHADLP CCc1cccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000566336284 1028705236 /nfs/dbraw/zinc/70/52/36/1028705236.db2.gz YRBSQDNPNCFFOD-QGZVFWFLSA-N 2 2 323.484 3.959 20 0 DHADLP Fc1ccc(C[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000566410551 1028718251 /nfs/dbraw/zinc/71/82/51/1028718251.db2.gz BKRJNRARJRGKNC-HXUWFJFHSA-N 2 2 323.415 3.986 20 0 DHADLP C[C@H](c1cccc(-c2ccncc2)c1)[N@H+](C)CCn1cc[nH+]c1 ZINC000371651828 1028740566 /nfs/dbraw/zinc/74/05/66/1028740566.db2.gz SWIJFQCDKVOBHS-MRXNPFEDSA-N 2 2 306.413 3.638 20 0 DHADLP C[C@H](c1cccc(-c2ccncc2)c1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000371651828 1028740578 /nfs/dbraw/zinc/74/05/78/1028740578.db2.gz SWIJFQCDKVOBHS-MRXNPFEDSA-N 2 2 306.413 3.638 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccsc1 ZINC000372064423 1028802556 /nfs/dbraw/zinc/80/25/56/1028802556.db2.gz CWELZCCDMSECAX-OAHLLOKOSA-N 2 2 315.486 3.501 20 0 DHADLP CCCc1ncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000449614447 1028844343 /nfs/dbraw/zinc/84/43/43/1028844343.db2.gz VRJBBIPCICDTAE-AWEZNQCLSA-N 2 2 324.428 3.972 20 0 DHADLP Cc1cncc(C[N@@H+](C)C2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000372615667 1028877350 /nfs/dbraw/zinc/87/73/50/1028877350.db2.gz AEDYYURPAFLDMA-UHFFFAOYSA-N 2 2 315.505 3.865 20 0 DHADLP Cc1cncc(C[N@H+](C)C2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000372615667 1028877361 /nfs/dbraw/zinc/87/73/61/1028877361.db2.gz AEDYYURPAFLDMA-UHFFFAOYSA-N 2 2 315.505 3.865 20 0 DHADLP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000372806578 1028903907 /nfs/dbraw/zinc/90/39/07/1028903907.db2.gz VVDULNMRHMMSBH-DYESRHJHSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ncccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000372806578 1028903920 /nfs/dbraw/zinc/90/39/20/1028903920.db2.gz VVDULNMRHMMSBH-DYESRHJHSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ncccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000372806578 1028903931 /nfs/dbraw/zinc/90/39/31/1028903931.db2.gz VVDULNMRHMMSBH-DYESRHJHSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1ncccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000372806578 1028903945 /nfs/dbraw/zinc/90/39/45/1028903945.db2.gz VVDULNMRHMMSBH-DYESRHJHSA-N 2 2 323.484 3.732 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1csc(C(C)(C)C)n1)CCC2 ZINC000372946429 1028924534 /nfs/dbraw/zinc/92/45/34/1028924534.db2.gz JTDAXDUZRIAXQW-ZDUSSCGKSA-N 2 2 318.490 3.613 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628253525 1028965386 /nfs/dbraw/zinc/96/53/86/1028965386.db2.gz LZNZOHCSCAUTJB-UHFFFAOYSA-N 2 2 321.424 3.915 20 0 DHADLP Fc1ccc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000373202127 1028973187 /nfs/dbraw/zinc/97/31/87/1028973187.db2.gz LCQYLGSZQDRLOK-INIZCTEOSA-N 2 2 301.409 3.682 20 0 DHADLP Fc1ccc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000373202127 1028973204 /nfs/dbraw/zinc/97/32/04/1028973204.db2.gz LCQYLGSZQDRLOK-INIZCTEOSA-N 2 2 301.409 3.682 20 0 DHADLP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@H]21 ZINC000568065417 1029004180 /nfs/dbraw/zinc/00/41/80/1029004180.db2.gz PPASCCOFVCIALZ-XJKSGUPXSA-N 2 2 315.848 3.809 20 0 DHADLP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@H]21 ZINC000568065417 1029004196 /nfs/dbraw/zinc/00/41/96/1029004196.db2.gz PPASCCOFVCIALZ-XJKSGUPXSA-N 2 2 315.848 3.809 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000568176312 1029019802 /nfs/dbraw/zinc/01/98/02/1029019802.db2.gz WKJLWOFCZCIIQP-VHDGCEQUSA-N 2 2 310.388 3.518 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000568176312 1029019811 /nfs/dbraw/zinc/01/98/11/1029019811.db2.gz WKJLWOFCZCIIQP-VHDGCEQUSA-N 2 2 310.388 3.518 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000568176312 1029019822 /nfs/dbraw/zinc/01/98/22/1029019822.db2.gz WKJLWOFCZCIIQP-VHDGCEQUSA-N 2 2 310.388 3.518 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000568176312 1029019838 /nfs/dbraw/zinc/01/98/38/1029019838.db2.gz WKJLWOFCZCIIQP-VHDGCEQUSA-N 2 2 310.388 3.518 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCC1 ZINC000373487327 1029061806 /nfs/dbraw/zinc/06/18/06/1029061806.db2.gz VLFPAHRVIAJJCR-JQRITLKVSA-N 2 2 318.427 3.960 20 0 DHADLP Oc1ccc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000628480450 1029069233 /nfs/dbraw/zinc/06/92/33/1029069233.db2.gz CTWUUHAZSSNUQC-SFHVURJKSA-N 2 2 319.408 3.567 20 0 DHADLP Oc1ccc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000628480450 1029069249 /nfs/dbraw/zinc/06/92/49/1029069249.db2.gz CTWUUHAZSSNUQC-SFHVURJKSA-N 2 2 319.408 3.567 20 0 DHADLP Oc1ccc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000628480449 1029069725 /nfs/dbraw/zinc/06/97/25/1029069725.db2.gz CTWUUHAZSSNUQC-GOSISDBHSA-N 2 2 319.408 3.567 20 0 DHADLP Oc1ccc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000628480449 1029069736 /nfs/dbraw/zinc/06/97/36/1029069736.db2.gz CTWUUHAZSSNUQC-GOSISDBHSA-N 2 2 319.408 3.567 20 0 DHADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000374060430 1029197594 /nfs/dbraw/zinc/19/75/94/1029197594.db2.gz BGZHEFSAFWXLJY-LNLFQRSKSA-N 2 2 303.494 3.564 20 0 DHADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000374060430 1029197597 /nfs/dbraw/zinc/19/75/97/1029197597.db2.gz BGZHEFSAFWXLJY-LNLFQRSKSA-N 2 2 303.494 3.564 20 0 DHADLP Cc1ccc(-c2cnc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)o2)cc1 ZINC000374207673 1029239425 /nfs/dbraw/zinc/23/94/25/1029239425.db2.gz JYEHFIPRVSGFLP-UHFFFAOYSA-N 2 2 322.412 3.753 20 0 DHADLP C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817924193 1029275129 /nfs/dbraw/zinc/27/51/29/1029275129.db2.gz GGYMOHZDQVTMCD-HBGVWJBISA-N 2 2 324.468 3.507 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000817951155 1029293389 /nfs/dbraw/zinc/29/33/89/1029293389.db2.gz AGPCPYHBOOVUBD-SWLSCSKDSA-N 2 2 312.429 3.720 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(SC(F)F)cc1 ZINC000817984065 1029324627 /nfs/dbraw/zinc/32/46/27/1029324627.db2.gz MKOHKQHDTQVWLG-YPMHNXCESA-N 2 2 300.418 3.794 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCS2 ZINC000629517547 1029353956 /nfs/dbraw/zinc/35/39/56/1029353956.db2.gz UXLBWJCIKYDBCR-RDJZCZTQSA-N 2 2 302.487 3.715 20 0 DHADLP CC1CC[NH+](CC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170894244 1029354185 /nfs/dbraw/zinc/35/41/85/1029354185.db2.gz OVCLBWQRXZBNDY-INIZCTEOSA-N 2 2 306.881 3.519 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629541828 1029363260 /nfs/dbraw/zinc/36/32/60/1029363260.db2.gz WWSVGMKQXYYUIJ-HEHGZKQESA-N 2 2 315.486 3.910 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(OCc2ccccc2)cc1 ZINC000629544896 1029366090 /nfs/dbraw/zinc/36/60/90/1029366090.db2.gz HCSNLCBVWUZPSG-GQIGUUNPSA-N 2 2 310.441 3.667 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561280 1029367907 /nfs/dbraw/zinc/36/79/07/1029367907.db2.gz ICZZESWEIQKBAY-NQBHXWOUSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561280 1029367912 /nfs/dbraw/zinc/36/79/12/1029367912.db2.gz ICZZESWEIQKBAY-NQBHXWOUSA-N 2 2 320.786 3.860 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000570515788 1029377611 /nfs/dbraw/zinc/37/76/11/1029377611.db2.gz STFMRZIRBADXBY-MSOLQXFVSA-N 2 2 324.468 3.668 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000570515788 1029377625 /nfs/dbraw/zinc/37/76/25/1029377625.db2.gz STFMRZIRBADXBY-MSOLQXFVSA-N 2 2 324.468 3.668 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1)CCC2 ZINC000374575450 1029391208 /nfs/dbraw/zinc/39/12/08/1029391208.db2.gz LYMFEYGBCCWAQV-PMACEKPBSA-N 2 2 323.484 3.988 20 0 DHADLP C[C@H]1C[C@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC[N@@H+]1C ZINC000450353926 1029410915 /nfs/dbraw/zinc/41/09/15/1029410915.db2.gz HZLFWLJUDPTFNP-SMDDNHRTSA-N 2 2 323.362 4.148 20 0 DHADLP C[C@H]1C[C@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC[N@H+]1C ZINC000450353926 1029410920 /nfs/dbraw/zinc/41/09/20/1029410920.db2.gz HZLFWLJUDPTFNP-SMDDNHRTSA-N 2 2 323.362 4.148 20 0 DHADLP C[NH+](C)Cc1cccc(-c2ccc([C@H]3CC(=O)CC[N@@H+]3C)cc2)c1 ZINC000629707739 1029433283 /nfs/dbraw/zinc/43/32/83/1029433283.db2.gz YASCAUWEBXMYFH-OAQYLSRUSA-N 2 2 322.452 3.751 20 0 DHADLP C[NH+](C)Cc1cccc(-c2ccc([C@H]3CC(=O)CC[N@H+]3C)cc2)c1 ZINC000629707739 1029433290 /nfs/dbraw/zinc/43/32/90/1029433290.db2.gz YASCAUWEBXMYFH-OAQYLSRUSA-N 2 2 322.452 3.751 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450465496 1029496205 /nfs/dbraw/zinc/49/62/05/1029496205.db2.gz FNJMITLAGMBYOW-UHFFFAOYSA-N 2 2 320.452 3.595 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450465496 1029496207 /nfs/dbraw/zinc/49/62/07/1029496207.db2.gz FNJMITLAGMBYOW-UHFFFAOYSA-N 2 2 320.452 3.595 20 0 DHADLP c1cc(C[NH+]2CCC([NH2+][C@H]3CCc4ccccc43)CC2)cs1 ZINC000121261874 1029585075 /nfs/dbraw/zinc/58/50/75/1029585075.db2.gz MUMPSAPLJGGISA-IBGZPJMESA-N 2 2 312.482 3.990 20 0 DHADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](Cc3ccsc3)CC2)C(C)(C)O1 ZINC000121324638 1029681796 /nfs/dbraw/zinc/68/17/96/1029681796.db2.gz OBEOAHYRUHDPSQ-MRXNPFEDSA-N 2 2 322.518 3.648 20 0 DHADLP c1cn(Cc2ccccc2Cn2cc[nH+]c2C2CC2)c(C2CC2)[nH+]1 ZINC000530130115 1029746755 /nfs/dbraw/zinc/74/67/55/1029746755.db2.gz FCEHXFGSIPTRML-UHFFFAOYSA-N 2 2 318.424 3.931 20 0 DHADLP Fc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)cc1Cl ZINC000451357734 1029854866 /nfs/dbraw/zinc/85/48/66/1029854866.db2.gz UFDPNCDJVRPPEM-MRXNPFEDSA-N 2 2 307.800 3.807 20 0 DHADLP COc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc2ccccc21 ZINC000924535882 1030116048 /nfs/dbraw/zinc/11/60/48/1030116048.db2.gz YUEKLQVFIJZFFY-OAHLLOKOSA-N 2 2 309.413 3.786 20 0 DHADLP Cc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cccnc2)cc1 ZINC000924590588 1030132339 /nfs/dbraw/zinc/13/23/39/1030132339.db2.gz ANQRMSVQZPNGMO-NRFANRHFSA-N 2 2 321.468 3.696 20 0 DHADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000924605490 1030137340 /nfs/dbraw/zinc/13/73/40/1030137340.db2.gz VTYSUYHADAFKFN-IPQPSQTFSA-N 2 2 316.514 3.840 20 0 DHADLP c1cn(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccn2)c[nH+]1 ZINC000866213018 1030163873 /nfs/dbraw/zinc/16/38/73/1030163873.db2.gz PWIWATNGUUNEQJ-FQEVSTJZSA-N 2 2 320.440 3.632 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866220457 1030166633 /nfs/dbraw/zinc/16/66/33/1030166633.db2.gz GJCOOTPTWALPBA-NSHDSACASA-N 2 2 319.836 3.759 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)c2ccccn2)c1 ZINC000924712199 1030169005 /nfs/dbraw/zinc/16/90/05/1030169005.db2.gz AHCTVWFVGDLTCN-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP C[C@H](CCc1cncc2ccccc21)[NH2+]CCCCn1cc[nH+]c1 ZINC000866238514 1030173830 /nfs/dbraw/zinc/17/38/30/1030173830.db2.gz PIVOKCLYAZEQNM-QGZVFWFLSA-N 2 2 322.456 3.822 20 0 DHADLP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCC)C1)c1ncccc1Cl ZINC000924755346 1030179705 /nfs/dbraw/zinc/17/97/05/1030179705.db2.gz WATBOCUVLLGASS-GOEBONIOSA-N 2 2 309.885 3.898 20 0 DHADLP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCC)C1)c1ncccc1Cl ZINC000924755346 1030179713 /nfs/dbraw/zinc/17/97/13/1030179713.db2.gz WATBOCUVLLGASS-GOEBONIOSA-N 2 2 309.885 3.898 20 0 DHADLP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000866261729 1030184846 /nfs/dbraw/zinc/18/48/46/1030184846.db2.gz WGBAFGCLHMUCKY-CVEARBPZSA-N 2 2 311.473 3.628 20 0 DHADLP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000866261729 1030184850 /nfs/dbraw/zinc/18/48/50/1030184850.db2.gz WGBAFGCLHMUCKY-CVEARBPZSA-N 2 2 311.473 3.628 20 0 DHADLP c1cncc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2)c1 ZINC000925529210 1030386394 /nfs/dbraw/zinc/38/63/94/1030386394.db2.gz ZRDMJADBWNRPDU-IBGZPJMESA-N 2 2 307.441 3.513 20 0 DHADLP CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000358232387 1030394058 /nfs/dbraw/zinc/39/40/58/1030394058.db2.gz CDWBJONHOBVRQX-UCLAIMLFSA-N 2 2 313.445 3.727 20 0 DHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000866707471 1030428178 /nfs/dbraw/zinc/42/81/78/1030428178.db2.gz OVKMSJPGEATRKX-KRWDZBQOSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000866707471 1030428189 /nfs/dbraw/zinc/42/81/89/1030428189.db2.gz OVKMSJPGEATRKX-KRWDZBQOSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000866706726 1030428971 /nfs/dbraw/zinc/42/89/71/1030428971.db2.gz QPTOCIAHFMDJES-SFHVURJKSA-N 2 2 321.534 3.998 20 0 DHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000866706726 1030428974 /nfs/dbraw/zinc/42/89/74/1030428974.db2.gz QPTOCIAHFMDJES-SFHVURJKSA-N 2 2 321.534 3.998 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccncc2)c(C)c1 ZINC000358341267 1030445419 /nfs/dbraw/zinc/44/54/19/1030445419.db2.gz AIYCMZXXMYLSSB-YLJYHZDGSA-N 2 2 320.440 3.987 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(Cl)n1 ZINC000925767486 1030486874 /nfs/dbraw/zinc/48/68/74/1030486874.db2.gz VGMUCUKZVRVDFZ-SJORKVTESA-N 2 2 315.848 3.626 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000358488886 1030510753 /nfs/dbraw/zinc/51/07/53/1030510753.db2.gz BJBOLLYZPVDLKE-MRXNPFEDSA-N 2 2 321.424 3.737 20 0 DHADLP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CCO2)cc1 ZINC000926180150 1030642816 /nfs/dbraw/zinc/64/28/16/1030642816.db2.gz ILSXLRDWYFTKNJ-ZRNYENFQSA-N 2 2 314.473 3.513 20 0 DHADLP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CCO2)cc1 ZINC000926180150 1030642821 /nfs/dbraw/zinc/64/28/21/1030642821.db2.gz ILSXLRDWYFTKNJ-ZRNYENFQSA-N 2 2 314.473 3.513 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2ncsc2c1 ZINC000926213707 1030656573 /nfs/dbraw/zinc/65/65/73/1030656573.db2.gz JLYYSOHYWFWBST-JLJPHGGASA-N 2 2 315.486 3.964 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2ncsc2c1 ZINC000926213707 1030656580 /nfs/dbraw/zinc/65/65/80/1030656580.db2.gz JLYYSOHYWFWBST-JLJPHGGASA-N 2 2 315.486 3.964 20 0 DHADLP Cc1ccccc1C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000926228780 1030666228 /nfs/dbraw/zinc/66/62/28/1030666228.db2.gz IYQFSCZHXBQRCT-ZWKOTPCHSA-N 2 2 321.424 3.673 20 0 DHADLP CC(C)[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000122358715 1030668966 /nfs/dbraw/zinc/66/89/66/1030668966.db2.gz NMRSQAQUGCYYDO-HXUWFJFHSA-N 2 2 315.505 3.746 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000247660703 1030699595 /nfs/dbraw/zinc/69/95/95/1030699595.db2.gz PXRDEWYHOGLOPG-DOTOQJQBSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000247660703 1030699604 /nfs/dbraw/zinc/69/96/04/1030699604.db2.gz PXRDEWYHOGLOPG-DOTOQJQBSA-N 2 2 322.412 3.621 20 0 DHADLP CC(C)[N@H+](Cc1c[nH]c2cccc(F)c12)C1CC[NH+](C)CC1 ZINC001136988771 1030723893 /nfs/dbraw/zinc/72/38/93/1030723893.db2.gz SNQGTHGHRIJRNE-UHFFFAOYSA-N 2 2 303.425 3.612 20 0 DHADLP CC(C)[N@@H+](Cc1c[nH]c2cccc(F)c12)C1CC[NH+](C)CC1 ZINC001136988771 1030723909 /nfs/dbraw/zinc/72/39/09/1030723909.db2.gz SNQGTHGHRIJRNE-UHFFFAOYSA-N 2 2 303.425 3.612 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc2ccccc21 ZINC000926450396 1030744667 /nfs/dbraw/zinc/74/46/67/1030744667.db2.gz MEZQQTRKOQTVAS-XJKSGUPXSA-N 2 2 321.424 3.780 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248839257 1030768441 /nfs/dbraw/zinc/76/84/41/1030768441.db2.gz FDLLAPNUTVWDRI-FPAYPSAMSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248839257 1030768457 /nfs/dbraw/zinc/76/84/57/1030768457.db2.gz FDLLAPNUTVWDRI-FPAYPSAMSA-N 2 2 315.505 3.706 20 0 DHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(-c2ccccc2)no1 ZINC000926543271 1030790023 /nfs/dbraw/zinc/79/00/23/1030790023.db2.gz WANGJBKEOZJSRO-HZTRTUMWSA-N 2 2 311.429 3.617 20 0 DHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(-c2ccccc2)no1 ZINC000926543271 1030790034 /nfs/dbraw/zinc/79/00/34/1030790034.db2.gz WANGJBKEOZJSRO-HZTRTUMWSA-N 2 2 311.429 3.617 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)COC2 ZINC001137028717 1030796122 /nfs/dbraw/zinc/79/61/22/1030796122.db2.gz BCEABVLRSIGPCB-UHFFFAOYSA-N 2 2 319.408 3.535 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)COC2 ZINC001137028717 1030796146 /nfs/dbraw/zinc/79/61/46/1030796146.db2.gz BCEABVLRSIGPCB-UHFFFAOYSA-N 2 2 319.408 3.535 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C(C)(C)O)cc1 ZINC000926677493 1030856401 /nfs/dbraw/zinc/85/64/01/1030856401.db2.gz YRLSTWJTZPQXQN-KFKAGJAMSA-N 2 2 316.489 3.582 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C(C)(C)O)cc1 ZINC000926677493 1030856419 /nfs/dbraw/zinc/85/64/19/1030856419.db2.gz YRLSTWJTZPQXQN-KFKAGJAMSA-N 2 2 316.489 3.582 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2ccccn2)c1 ZINC000926752534 1030906320 /nfs/dbraw/zinc/90/63/20/1030906320.db2.gz ALQZEIQYHBFWFJ-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)c2ccccn2)c1 ZINC000926752534 1030906327 /nfs/dbraw/zinc/90/63/27/1030906327.db2.gz ALQZEIQYHBFWFJ-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4c(Cl)cccc34)C2)C1 ZINC000558950631 1030962535 /nfs/dbraw/zinc/96/25/35/1030962535.db2.gz FBTZHUUGDNGSHZ-GOSISDBHSA-N 2 2 315.848 3.810 20 0 DHADLP C[N@H+]1CCC[C@@]2(CCN(c3cc[nH+]c4c(Cl)cccc34)C2)C1 ZINC000558950631 1030962547 /nfs/dbraw/zinc/96/25/47/1030962547.db2.gz FBTZHUUGDNGSHZ-GOSISDBHSA-N 2 2 315.848 3.810 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)C2 ZINC001171111516 1031005802 /nfs/dbraw/zinc/00/58/02/1031005802.db2.gz SJWLRVWYDLNSMC-MOPGFXCFSA-N 2 2 318.892 3.661 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)C2 ZINC001171111516 1031005818 /nfs/dbraw/zinc/00/58/18/1031005818.db2.gz SJWLRVWYDLNSMC-MOPGFXCFSA-N 2 2 318.892 3.661 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000926952309 1031013978 /nfs/dbraw/zinc/01/39/78/1031013978.db2.gz RZPJUJRRZQJECE-CORIIIEPSA-N 2 2 309.335 3.721 20 0 DHADLP Cc1cnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000926953397 1031015641 /nfs/dbraw/zinc/01/56/41/1031015641.db2.gz CBGXYPCISDRAIC-UYAOXDASSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1cnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000926953397 1031015661 /nfs/dbraw/zinc/01/56/61/1031015661.db2.gz CBGXYPCISDRAIC-UYAOXDASSA-N 2 2 323.484 3.699 20 0 DHADLP Cc1cnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000926953396 1031016816 /nfs/dbraw/zinc/01/68/16/1031016816.db2.gz CBGXYPCISDRAIC-QUCCMNQESA-N 2 2 323.484 3.699 20 0 DHADLP Cc1cnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000926953396 1031016832 /nfs/dbraw/zinc/01/68/32/1031016832.db2.gz CBGXYPCISDRAIC-QUCCMNQESA-N 2 2 323.484 3.699 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000359591504 1031049606 /nfs/dbraw/zinc/04/96/06/1031049606.db2.gz LUBKTFNTXYKFEY-HIFRSBDPSA-N 2 2 308.491 3.552 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000359591504 1031049620 /nfs/dbraw/zinc/04/96/20/1031049620.db2.gz LUBKTFNTXYKFEY-HIFRSBDPSA-N 2 2 308.491 3.552 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000359589540 1031049778 /nfs/dbraw/zinc/04/97/78/1031049778.db2.gz JNHNQJGIWBWDLF-ZBFHGGJFSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000359589540 1031049792 /nfs/dbraw/zinc/04/97/92/1031049792.db2.gz JNHNQJGIWBWDLF-ZBFHGGJFSA-N 2 2 308.853 3.628 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000359660126 1031081562 /nfs/dbraw/zinc/08/15/62/1031081562.db2.gz BLOUAJFEVZCUFE-ZDUSSCGKSA-N 2 2 324.431 3.587 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(Cl)cn1 ZINC000359713422 1031109343 /nfs/dbraw/zinc/10/93/43/1031109343.db2.gz ISIKBSSOTUQXME-HNNXBMFYSA-N 2 2 317.864 3.908 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cn1 ZINC000359713422 1031109349 /nfs/dbraw/zinc/10/93/49/1031109349.db2.gz ISIKBSSOTUQXME-HNNXBMFYSA-N 2 2 317.864 3.908 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1OC(F)F ZINC000359934805 1031204047 /nfs/dbraw/zinc/20/40/47/1031204047.db2.gz NLISPTZJWIVNKO-XHSDSOJGSA-N 2 2 324.415 3.956 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1OC(F)F ZINC000359934805 1031204057 /nfs/dbraw/zinc/20/40/57/1031204057.db2.gz NLISPTZJWIVNKO-XHSDSOJGSA-N 2 2 324.415 3.956 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCCOC1 ZINC000872039524 1031423196 /nfs/dbraw/zinc/42/31/96/1031423196.db2.gz GKNMNSWHDSADSG-IEZWGBDMSA-N 2 2 313.445 3.728 20 0 DHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc(-c3ccccc3)o2)CC1 ZINC000929471272 1031527994 /nfs/dbraw/zinc/52/79/94/1031527994.db2.gz SJDDMUWOCPKUHP-UHFFFAOYSA-N 2 2 313.445 3.646 20 0 DHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc(-c3ccccc3)o2)CC1 ZINC000929471272 1031528000 /nfs/dbraw/zinc/52/80/00/1031528000.db2.gz SJDDMUWOCPKUHP-UHFFFAOYSA-N 2 2 313.445 3.646 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000035275362 1031547184 /nfs/dbraw/zinc/54/71/84/1031547184.db2.gz GQQNQCQDIGFVCM-LLVKDONJSA-N 2 2 315.364 3.673 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccncc1 ZINC000360897424 1031612224 /nfs/dbraw/zinc/61/22/24/1031612224.db2.gz XXPAHYYTTRUXMB-KRWDZBQOSA-N 2 2 310.376 3.647 20 0 DHADLP CC(C)=CCC[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000537456759 1031619153 /nfs/dbraw/zinc/61/91/53/1031619153.db2.gz XOXPUKTURZKAMZ-FUHWJXTLSA-N 2 2 316.493 3.769 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000293803021 1031633182 /nfs/dbraw/zinc/63/31/82/1031633182.db2.gz VAZUKZMAADMJQC-ZXNZYJFHSA-N 2 2 324.468 3.534 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000293803021 1031633187 /nfs/dbraw/zinc/63/31/87/1031633187.db2.gz VAZUKZMAADMJQC-ZXNZYJFHSA-N 2 2 324.468 3.534 20 0 DHADLP Cc1nc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)sc1C(C)(C)C ZINC000930021586 1031679778 /nfs/dbraw/zinc/67/97/78/1031679778.db2.gz XNPZUDJAVVNQJU-UHFFFAOYSA-N 2 2 318.490 3.852 20 0 DHADLP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296653 1031791636 /nfs/dbraw/zinc/79/16/36/1031791636.db2.gz KTSLWTRJEHUUEZ-KMUNFCNLSA-N 2 2 321.346 3.896 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296654 1031791961 /nfs/dbraw/zinc/79/19/61/1031791961.db2.gz KTSLWTRJEHUUEZ-LKTVYLICSA-N 2 2 321.346 3.896 20 0 DHADLP C[C@@]1(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@]1(F)Cl ZINC000846034560 1031827361 /nfs/dbraw/zinc/82/73/61/1031827361.db2.gz RUALDWRYPMUAJG-KGLIPLIRSA-N 2 2 313.829 3.728 20 0 DHADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000897799750 1031842483 /nfs/dbraw/zinc/84/24/83/1031842483.db2.gz KQBGCXGSGIMOIJ-HNNXBMFYSA-N 2 2 301.459 3.636 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)n1-c1ccccc1 ZINC000846110088 1031858555 /nfs/dbraw/zinc/85/85/55/1031858555.db2.gz ZALRBNFYQPUYGK-KRWDZBQOSA-N 2 2 317.383 3.802 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)n1-c1ccccc1 ZINC000846110088 1031858577 /nfs/dbraw/zinc/85/85/77/1031858577.db2.gz ZALRBNFYQPUYGK-KRWDZBQOSA-N 2 2 317.383 3.802 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CC2 ZINC000361494823 1031953225 /nfs/dbraw/zinc/95/32/25/1031953225.db2.gz ACLKHAYMYYMOJW-HXUWFJFHSA-N 2 2 303.409 3.958 20 0 DHADLP CCCC[N@H+](Cc1ncc(C)cn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033864 1032015032 /nfs/dbraw/zinc/01/50/32/1032015032.db2.gz LDVGZFWNAHQJFN-UHFFFAOYSA-N 2 2 318.509 3.696 20 0 DHADLP CCCC[N@@H+](Cc1ncc(C)cn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033864 1032015042 /nfs/dbraw/zinc/01/50/42/1032015042.db2.gz LDVGZFWNAHQJFN-UHFFFAOYSA-N 2 2 318.509 3.696 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCOc1ccccc1 ZINC000361689667 1032056495 /nfs/dbraw/zinc/05/64/95/1032056495.db2.gz PFWRNDKSIDTHGM-UHFFFAOYSA-N 2 2 321.424 3.692 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCOc1ccccc1 ZINC000361689667 1032056510 /nfs/dbraw/zinc/05/65/10/1032056510.db2.gz PFWRNDKSIDTHGM-UHFFFAOYSA-N 2 2 321.424 3.692 20 0 DHADLP COc1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)C(C)C)cc1 ZINC000539218095 1033300486 /nfs/dbraw/zinc/30/04/86/1033300486.db2.gz SCNSRQGXPZLDKO-IBGZPJMESA-N 2 2 313.445 3.879 20 0 DHADLP CC(C)[N@H+]([C@H]1Cc2ccc(Cl)cc2C1)C1CC[NH+](C)CC1 ZINC001172723978 1033330292 /nfs/dbraw/zinc/33/02/92/1033330292.db2.gz YSNBOZLXYZGOFW-SFHVURJKSA-N 2 2 306.881 3.612 20 0 DHADLP CC(C)[N@@H+]([C@H]1Cc2ccc(Cl)cc2C1)C1CC[NH+](C)CC1 ZINC001172723978 1033330303 /nfs/dbraw/zinc/33/03/03/1033330303.db2.gz YSNBOZLXYZGOFW-SFHVURJKSA-N 2 2 306.881 3.612 20 0 DHADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000477927538 1033368672 /nfs/dbraw/zinc/36/86/72/1033368672.db2.gz OMQCZJNYEKUDKZ-XUJVJEKNSA-N 2 2 316.367 3.576 20 0 DHADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000477927538 1033368688 /nfs/dbraw/zinc/36/86/88/1033368688.db2.gz OMQCZJNYEKUDKZ-XUJVJEKNSA-N 2 2 316.367 3.576 20 0 DHADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001172863774 1033431531 /nfs/dbraw/zinc/43/15/31/1033431531.db2.gz KLJJTJJLOLSKLG-AWEZNQCLSA-N 2 2 324.871 3.970 20 0 DHADLP Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001212690318 1033461413 /nfs/dbraw/zinc/46/14/13/1033461413.db2.gz FRDCYEZBKLJYPX-UHFFFAOYSA-N 2 2 320.440 3.725 20 0 DHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000152303070 1033514350 /nfs/dbraw/zinc/51/43/50/1033514350.db2.gz RLEIBVQGAHVONH-HNNXBMFYSA-N 2 2 322.412 3.936 20 0 DHADLP Cc1nc(C)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)s1 ZINC001206192458 1033584070 /nfs/dbraw/zinc/58/40/70/1033584070.db2.gz SNNBQNROSAKCRD-UHFFFAOYSA-N 2 2 307.507 3.599 20 0 DHADLP Cc1nc(C)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)s1 ZINC001206192458 1033584077 /nfs/dbraw/zinc/58/40/77/1033584077.db2.gz SNNBQNROSAKCRD-UHFFFAOYSA-N 2 2 307.507 3.599 20 0 DHADLP CC[NH+](CC)[C@H]1CCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000553071918 1033590271 /nfs/dbraw/zinc/59/02/71/1033590271.db2.gz ARBGVYFIWSTZCE-ZDUSSCGKSA-N 2 2 303.837 3.809 20 0 DHADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CC[C@@H](c4ccccc4)O3)CC2)[nH]1 ZINC000878172724 1033610973 /nfs/dbraw/zinc/61/09/73/1033610973.db2.gz LNVDJPKDBUZEGY-MSOLQXFVSA-N 2 2 311.429 3.509 20 0 DHADLP CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC001173263206 1033636236 /nfs/dbraw/zinc/63/62/36/1033636236.db2.gz GWGZOWXBTGJOPG-VQIMIIECSA-N 2 2 316.489 3.828 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878396046 1033689486 /nfs/dbraw/zinc/68/94/86/1033689486.db2.gz GCUGJSKDLITSGI-MAUKXSAKSA-N 2 2 311.429 3.625 20 0 DHADLP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H](C)c1cccc(O)c1 ZINC000667532706 1033854755 /nfs/dbraw/zinc/85/47/55/1033854755.db2.gz WDQGZOKDOQGRJC-OAHLLOKOSA-N 2 2 322.412 3.556 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000879203808 1033951300 /nfs/dbraw/zinc/95/13/00/1033951300.db2.gz WPRDKJHXFUAPCI-CYBMUJFWSA-N 2 2 305.293 3.521 20 0 DHADLP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)C[NH+](C)C ZINC000554085726 1033958514 /nfs/dbraw/zinc/95/85/14/1033958514.db2.gz PGSZTZNOPYLBGJ-STQMWFEESA-N 2 2 302.384 3.566 20 0 DHADLP CC1([NH+]2CCCCC2)CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000879950484 1034165941 /nfs/dbraw/zinc/16/59/41/1034165941.db2.gz RLKDGRDRCPVQNQ-UHFFFAOYSA-N 2 2 314.473 3.600 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000667666539 1034206548 /nfs/dbraw/zinc/20/65/48/1034206548.db2.gz PLFBQTSKILNRTP-WMLDXEAASA-N 2 2 320.452 3.529 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000667666539 1034206562 /nfs/dbraw/zinc/20/65/62/1034206562.db2.gz PLFBQTSKILNRTP-WMLDXEAASA-N 2 2 320.452 3.529 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000667666539 1034206575 /nfs/dbraw/zinc/20/65/75/1034206575.db2.gz PLFBQTSKILNRTP-WMLDXEAASA-N 2 2 320.452 3.529 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000667666539 1034206580 /nfs/dbraw/zinc/20/65/80/1034206580.db2.gz PLFBQTSKILNRTP-WMLDXEAASA-N 2 2 320.452 3.529 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC[N@@H+]1C ZINC000480352937 1034209076 /nfs/dbraw/zinc/20/90/76/1034209076.db2.gz JVVDECDOCUOSBK-CHWSQXEVSA-N 2 2 320.383 3.797 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC[N@H+]1C ZINC000480352937 1034209086 /nfs/dbraw/zinc/20/90/86/1034209086.db2.gz JVVDECDOCUOSBK-CHWSQXEVSA-N 2 2 320.383 3.797 20 0 DHADLP C[C@H](C[NH2+]Cc1cc(Cl)cc2cccnc21)Cn1cc[nH+]c1 ZINC000178331743 1034228362 /nfs/dbraw/zinc/22/83/62/1034228362.db2.gz CZFZDTZCNLKRRF-CYBMUJFWSA-N 2 2 314.820 3.511 20 0 DHADLP CC(C)Oc1ccccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472712 1034343123 /nfs/dbraw/zinc/34/31/23/1034343123.db2.gz ZFWNFHFNSRNEPX-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP CC(C)(C)OCCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569202 1034361762 /nfs/dbraw/zinc/36/17/62/1034361762.db2.gz IGZQCKHBMXNRBY-SFHVURJKSA-N 2 2 315.461 3.809 20 0 DHADLP C[C@]1(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1(Cl)Cl ZINC000880569652 1034363074 /nfs/dbraw/zinc/36/30/74/1034363074.db2.gz NIKUGQVNMCYJCU-LSDHHAIUSA-N 2 2 324.255 3.798 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889097 1034392517 /nfs/dbraw/zinc/39/25/17/1034392517.db2.gz GCUVXHARBYDTIL-PBHICJAKSA-N 2 2 321.534 3.963 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889097 1034392531 /nfs/dbraw/zinc/39/25/31/1034392531.db2.gz GCUVXHARBYDTIL-PBHICJAKSA-N 2 2 321.534 3.963 20 0 DHADLP C[C@@H](C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000184021434 1034439348 /nfs/dbraw/zinc/43/93/48/1034439348.db2.gz TXBJMAQJAILRMO-AWEZNQCLSA-N 2 2 312.442 3.564 20 0 DHADLP C[C@@H](C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000184021434 1034439359 /nfs/dbraw/zinc/43/93/59/1034439359.db2.gz TXBJMAQJAILRMO-AWEZNQCLSA-N 2 2 312.442 3.564 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924755364 1034610843 /nfs/dbraw/zinc/61/08/43/1034610843.db2.gz WBWPGXZUGBICEU-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924755364 1034610849 /nfs/dbraw/zinc/61/08/49/1034610849.db2.gz WBWPGXZUGBICEU-NQIIRXRSSA-N 2 2 323.484 3.801 20 0 DHADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000187132241 1034691870 /nfs/dbraw/zinc/69/18/70/1034691870.db2.gz INNNZJOJXVAQFB-YLJYHZDGSA-N 2 2 313.489 3.628 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802093 1034910683 /nfs/dbraw/zinc/91/06/83/1034910683.db2.gz KWFOAPJWUAERGL-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802093 1034910689 /nfs/dbraw/zinc/91/06/89/1034910689.db2.gz KWFOAPJWUAERGL-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802093 1034910694 /nfs/dbraw/zinc/91/06/94/1034910694.db2.gz KWFOAPJWUAERGL-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(Cl)cc2Cl)C1 ZINC000555802093 1034910698 /nfs/dbraw/zinc/91/06/98/1034910698.db2.gz KWFOAPJWUAERGL-CZUORRHYSA-N 2 2 313.272 3.910 20 0 DHADLP CN(C)c1ccc(Nc2ccc(CC[NH+]3CCCC3)cc2)c[nH+]1 ZINC001175342953 1034920309 /nfs/dbraw/zinc/92/03/09/1034920309.db2.gz BKJJCIPXKZEGNL-UHFFFAOYSA-N 2 2 310.445 3.530 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000481991448 1035044210 /nfs/dbraw/zinc/04/42/10/1035044210.db2.gz HUOZPLOLKVLTKA-IOASZLSFSA-N 2 2 314.395 3.709 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000481991448 1035044218 /nfs/dbraw/zinc/04/42/18/1035044218.db2.gz HUOZPLOLKVLTKA-IOASZLSFSA-N 2 2 314.395 3.709 20 0 DHADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC[N@H+](C)C(C)C)cc1F ZINC000482090824 1035054942 /nfs/dbraw/zinc/05/49/42/1035054942.db2.gz BGSUVNNQCNHSAZ-FUHWJXTLSA-N 2 2 322.468 3.790 20 0 DHADLP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC[N@@H+](C)C(C)C)cc1F ZINC000482090824 1035054953 /nfs/dbraw/zinc/05/49/53/1035054953.db2.gz BGSUVNNQCNHSAZ-FUHWJXTLSA-N 2 2 322.468 3.790 20 0 DHADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000567889896 1035064206 /nfs/dbraw/zinc/06/42/06/1035064206.db2.gz IUGJAOYBEMZMNU-DOTOQJQBSA-N 2 2 313.445 3.742 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)CCN1c1cc[nH+]cc1 ZINC001175769755 1035115079 /nfs/dbraw/zinc/11/50/79/1035115079.db2.gz SYHVSQFTPAJLKL-ZDUSSCGKSA-N 2 2 319.811 3.585 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CCN1c1cc[nH+]cc1 ZINC001175769755 1035115085 /nfs/dbraw/zinc/11/50/85/1035115085.db2.gz SYHVSQFTPAJLKL-ZDUSSCGKSA-N 2 2 319.811 3.585 20 0 DHADLP CCc1ccc[nH+]c1Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001175783885 1035121133 /nfs/dbraw/zinc/12/11/33/1035121133.db2.gz ZFHJHTAHMGGUSD-UHFFFAOYSA-N 2 2 310.445 3.530 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C2CC2)c2ccccc12 ZINC000482552023 1035131200 /nfs/dbraw/zinc/13/12/00/1035131200.db2.gz DVPOJGDOXFFTHA-HUUCEWRRSA-N 2 2 312.457 3.982 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)c2ccccc12 ZINC000482552023 1035131205 /nfs/dbraw/zinc/13/12/05/1035131205.db2.gz DVPOJGDOXFFTHA-HUUCEWRRSA-N 2 2 312.457 3.982 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000194472395 1035164107 /nfs/dbraw/zinc/16/41/07/1035164107.db2.gz ZQJJZDVZYIZIGK-LBPRGKRZSA-N 2 2 309.866 3.590 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000194472395 1035164113 /nfs/dbraw/zinc/16/41/13/1035164113.db2.gz ZQJJZDVZYIZIGK-LBPRGKRZSA-N 2 2 309.866 3.590 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2OC)CC1 ZINC000482777534 1035177064 /nfs/dbraw/zinc/17/70/64/1035177064.db2.gz HGGVSPIDFRTRPZ-UHFFFAOYSA-N 2 2 310.869 3.655 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2OC)CC1 ZINC000482777534 1035177069 /nfs/dbraw/zinc/17/70/69/1035177069.db2.gz HGGVSPIDFRTRPZ-UHFFFAOYSA-N 2 2 310.869 3.655 20 0 DHADLP Cc1cn2c(cccc2Nc2cccc(C[NH+]3CCCC3)c2)[nH+]1 ZINC001176194966 1035217872 /nfs/dbraw/zinc/21/78/72/1035217872.db2.gz RVWYJPHBPSPZOD-UHFFFAOYSA-N 2 2 306.413 3.982 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668199980 1035221942 /nfs/dbraw/zinc/22/19/42/1035221942.db2.gz JFSWHFDAPCAVCC-DVOMOZLQSA-N 2 2 301.821 3.804 20 0 DHADLP CC(C)COc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483470567 1035270872 /nfs/dbraw/zinc/27/08/72/1035270872.db2.gz HDNJSYGFYYOOCD-MJGOQNOKSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)COc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483470567 1035270873 /nfs/dbraw/zinc/27/08/73/1035270873.db2.gz HDNJSYGFYYOOCD-MJGOQNOKSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)COc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483470567 1035270874 /nfs/dbraw/zinc/27/08/74/1035270874.db2.gz HDNJSYGFYYOOCD-MJGOQNOKSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)COc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483470567 1035270878 /nfs/dbraw/zinc/27/08/78/1035270878.db2.gz HDNJSYGFYYOOCD-MJGOQNOKSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)(C)OCC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176984895 1035341542 /nfs/dbraw/zinc/34/15/42/1035341542.db2.gz NRYLSKGGQUZJOU-OAHLLOKOSA-N 2 2 307.482 3.633 20 0 DHADLP CC(C)(C)OCC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001176984895 1035341547 /nfs/dbraw/zinc/34/15/47/1035341547.db2.gz NRYLSKGGQUZJOU-OAHLLOKOSA-N 2 2 307.482 3.633 20 0 DHADLP C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001177268353 1035361806 /nfs/dbraw/zinc/36/18/06/1035361806.db2.gz XAOVVVHNYQQMPT-RHSMWYFYSA-N 2 2 319.474 3.619 20 0 DHADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000484655613 1035384485 /nfs/dbraw/zinc/38/44/85/1035384485.db2.gz RDRSTTSBBDPBJX-PKOBYXMFSA-N 2 2 313.445 3.561 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904304114 1035397705 /nfs/dbraw/zinc/39/77/05/1035397705.db2.gz ROQYQAZPKMTEMB-SUMWQHHRSA-N 2 2 303.475 3.679 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 ZINC000904304114 1035397707 /nfs/dbraw/zinc/39/77/07/1035397707.db2.gz ROQYQAZPKMTEMB-SUMWQHHRSA-N 2 2 303.475 3.679 20 0 DHADLP CCOc1cccc(F)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001178249739 1035416386 /nfs/dbraw/zinc/41/63/86/1035416386.db2.gz SUCKUCFGQPNHHL-INIZCTEOSA-N 2 2 322.468 3.682 20 0 DHADLP CCOc1cccc(F)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001178249739 1035416388 /nfs/dbraw/zinc/41/63/88/1035416388.db2.gz SUCKUCFGQPNHHL-INIZCTEOSA-N 2 2 322.468 3.682 20 0 DHADLP Cc1ccc(NCc2cc(C)[nH+]c3c2CCCC3)c(N(C)C)[nH+]1 ZINC001178377748 1035424212 /nfs/dbraw/zinc/42/42/12/1035424212.db2.gz SXZFQCUQYHSGTG-UHFFFAOYSA-N 2 2 310.445 3.650 20 0 DHADLP Fc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1C[NH2+]C1CC1 ZINC000904808562 1035455776 /nfs/dbraw/zinc/45/57/76/1035455776.db2.gz QPFYIDYKTOGPAI-UHFFFAOYSA-N 2 2 321.399 3.990 20 0 DHADLP CC(C)(C)OCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179095958 1035464671 /nfs/dbraw/zinc/46/46/71/1035464671.db2.gz RGLWVVVNRVJSDA-SFHVURJKSA-N 2 2 318.505 3.834 20 0 DHADLP CC(C)(C)OCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179095958 1035464674 /nfs/dbraw/zinc/46/46/74/1035464674.db2.gz RGLWVVVNRVJSDA-SFHVURJKSA-N 2 2 318.505 3.834 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000485249269 1035504594 /nfs/dbraw/zinc/50/45/94/1035504594.db2.gz HWFCMGNCIXSXJH-MRXNPFEDSA-N 2 2 317.864 3.571 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000485249269 1035504603 /nfs/dbraw/zinc/50/46/03/1035504603.db2.gz HWFCMGNCIXSXJH-MRXNPFEDSA-N 2 2 317.864 3.571 20 0 DHADLP CC(C)CCOCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894833 1035581825 /nfs/dbraw/zinc/58/18/25/1035581825.db2.gz WQZNNKWOXABANY-MRXNPFEDSA-N 2 2 301.434 3.586 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000223015265 1035599240 /nfs/dbraw/zinc/59/92/40/1035599240.db2.gz ZMIRJVIBGGUQHT-BLLLJJGKSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000223015265 1035599244 /nfs/dbraw/zinc/59/92/44/1035599244.db2.gz ZMIRJVIBGGUQHT-BLLLJJGKSA-N 2 2 323.278 3.510 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)s1 ZINC000224107580 1035668504 /nfs/dbraw/zinc/66/85/04/1035668504.db2.gz KMTISWSZHLCGOY-HBNTYKKESA-N 2 2 317.296 3.644 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)s1 ZINC000224107580 1035668517 /nfs/dbraw/zinc/66/85/17/1035668517.db2.gz KMTISWSZHLCGOY-HBNTYKKESA-N 2 2 317.296 3.644 20 0 DHADLP CCSCCC[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001181134903 1035849122 /nfs/dbraw/zinc/84/91/22/1035849122.db2.gz QMJIWEWEVAOBOB-SJLPKXTDSA-N 2 2 306.519 3.772 20 0 DHADLP CCSCCC[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001181134903 1035849131 /nfs/dbraw/zinc/84/91/31/1035849131.db2.gz QMJIWEWEVAOBOB-SJLPKXTDSA-N 2 2 306.519 3.772 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C12CCCCC2 ZINC001181436647 1035924033 /nfs/dbraw/zinc/92/40/33/1035924033.db2.gz XJXUZMQMDACFHD-RCCFBDPRSA-N 2 2 322.537 3.824 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C12CCCCC2 ZINC001181436647 1035924041 /nfs/dbraw/zinc/92/40/41/1035924041.db2.gz XJXUZMQMDACFHD-RCCFBDPRSA-N 2 2 322.537 3.824 20 0 DHADLP Fc1cccc([C@@H]2C[C@H]2[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC001194525376 1035951199 /nfs/dbraw/zinc/95/11/99/1035951199.db2.gz NJYLCAAFWSPEPG-LEWJYISDSA-N 2 2 324.443 3.936 20 0 DHADLP CCC(CC)[N@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001194782300 1036019553 /nfs/dbraw/zinc/01/95/53/1036019553.db2.gz PYJOGWVQIHEPJT-HXUWFJFHSA-N 2 2 318.505 3.788 20 0 DHADLP CCC(CC)[N@@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001194782300 1036019575 /nfs/dbraw/zinc/01/95/75/1036019575.db2.gz PYJOGWVQIHEPJT-HXUWFJFHSA-N 2 2 318.505 3.788 20 0 DHADLP CCC(CC)[NH+](CC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001194782300 1036019595 /nfs/dbraw/zinc/01/95/95/1036019595.db2.gz PYJOGWVQIHEPJT-HXUWFJFHSA-N 2 2 318.505 3.788 20 0 DHADLP CCC(CC)[NH+](CC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001194782300 1036019613 /nfs/dbraw/zinc/01/96/13/1036019613.db2.gz PYJOGWVQIHEPJT-HXUWFJFHSA-N 2 2 318.505 3.788 20 0 DHADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[N@H+](C)CCOC ZINC000540598732 1036112354 /nfs/dbraw/zinc/11/23/54/1036112354.db2.gz QPJGDJNJBJWLSE-OAHLLOKOSA-N 2 2 318.461 3.614 20 0 DHADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[N@@H+](C)CCOC ZINC000540598732 1036112367 /nfs/dbraw/zinc/11/23/67/1036112367.db2.gz QPJGDJNJBJWLSE-OAHLLOKOSA-N 2 2 318.461 3.614 20 0 DHADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C1 ZINC001195054229 1036117393 /nfs/dbraw/zinc/11/73/93/1036117393.db2.gz BHBJAXHRMASONQ-WCXIOVBPSA-N 2 2 310.526 3.536 20 0 DHADLP CCOc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000494976393 1036171889 /nfs/dbraw/zinc/17/18/89/1036171889.db2.gz OYHMNMSERJCFFU-MRXNPFEDSA-N 2 2 308.441 3.531 20 0 DHADLP CCOc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000494976393 1036171904 /nfs/dbraw/zinc/17/19/04/1036171904.db2.gz OYHMNMSERJCFFU-MRXNPFEDSA-N 2 2 308.441 3.531 20 0 DHADLP CCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000494976393 1036171915 /nfs/dbraw/zinc/17/19/15/1036171915.db2.gz OYHMNMSERJCFFU-MRXNPFEDSA-N 2 2 308.441 3.531 20 0 DHADLP CCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000494976393 1036171923 /nfs/dbraw/zinc/17/19/23/1036171923.db2.gz OYHMNMSERJCFFU-MRXNPFEDSA-N 2 2 308.441 3.531 20 0 DHADLP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495007684 1036181755 /nfs/dbraw/zinc/18/17/55/1036181755.db2.gz VUYCAHYHJCBULU-KRWDZBQOSA-N 2 2 313.445 3.675 20 0 DHADLP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000495007684 1036181778 /nfs/dbraw/zinc/18/17/78/1036181778.db2.gz VUYCAHYHJCBULU-KRWDZBQOSA-N 2 2 313.445 3.675 20 0 DHADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4)s3)[C@@H]2C1 ZINC000495108976 1036258645 /nfs/dbraw/zinc/25/86/45/1036258645.db2.gz NXOFIKXHRCRLHN-MAUKXSAKSA-N 2 2 312.482 3.941 20 0 DHADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccccc4)s3)[C@@H]2C1 ZINC000495108976 1036258666 /nfs/dbraw/zinc/25/86/66/1036258666.db2.gz NXOFIKXHRCRLHN-MAUKXSAKSA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)s3)[C@@H]2C1 ZINC000495108976 1036258679 /nfs/dbraw/zinc/25/86/79/1036258679.db2.gz NXOFIKXHRCRLHN-MAUKXSAKSA-N 2 2 312.482 3.941 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)s3)[C@@H]2C1 ZINC000495108976 1036258687 /nfs/dbraw/zinc/25/86/87/1036258687.db2.gz NXOFIKXHRCRLHN-MAUKXSAKSA-N 2 2 312.482 3.941 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OC4CCCC4)c3)[C@H]2C1 ZINC000495149699 1036292160 /nfs/dbraw/zinc/29/21/60/1036292160.db2.gz SHRZPPZLKNBDBL-XLIONFOSSA-N 2 2 314.473 3.534 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OC4CCCC4)c3)[C@H]2C1 ZINC000495149699 1036292174 /nfs/dbraw/zinc/29/21/74/1036292174.db2.gz SHRZPPZLKNBDBL-XLIONFOSSA-N 2 2 314.473 3.534 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(OC4CCCC4)c3)[C@H]2C1 ZINC000495149699 1036292191 /nfs/dbraw/zinc/29/21/91/1036292191.db2.gz SHRZPPZLKNBDBL-XLIONFOSSA-N 2 2 314.473 3.534 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(OC4CCCC4)c3)[C@H]2C1 ZINC000495149699 1036292208 /nfs/dbraw/zinc/29/22/08/1036292208.db2.gz SHRZPPZLKNBDBL-XLIONFOSSA-N 2 2 314.473 3.534 20 0 DHADLP Fc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc2)nc1 ZINC000541546229 1036351404 /nfs/dbraw/zinc/35/14/04/1036351404.db2.gz ANPAYAJNGAGERP-IBGZPJMESA-N 2 2 324.403 3.577 20 0 DHADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206542070 1036459456 /nfs/dbraw/zinc/45/94/56/1036459456.db2.gz QPUYSFMUUFQJCI-OAHLLOKOSA-N 2 2 301.261 3.944 20 0 DHADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206542070 1036459466 /nfs/dbraw/zinc/45/94/66/1036459466.db2.gz QPUYSFMUUFQJCI-OAHLLOKOSA-N 2 2 301.261 3.944 20 0 DHADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206542069 1036459307 /nfs/dbraw/zinc/45/93/07/1036459307.db2.gz QPUYSFMUUFQJCI-HNNXBMFYSA-N 2 2 301.261 3.944 20 0 DHADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206542069 1036459321 /nfs/dbraw/zinc/45/93/21/1036459321.db2.gz QPUYSFMUUFQJCI-HNNXBMFYSA-N 2 2 301.261 3.944 20 0 DHADLP FC(F)(F)c1ccc(Cl)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000159874942 1036513445 /nfs/dbraw/zinc/51/34/45/1036513445.db2.gz LUGLHIPFCIQOMQ-UHFFFAOYSA-N 2 2 317.742 3.735 20 0 DHADLP CCCC[N@H+](Cc1nn(C)cc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545941 1036565749 /nfs/dbraw/zinc/56/57/49/1036565749.db2.gz VJOUKRLENWSIRB-UHFFFAOYSA-N 2 2 320.525 3.640 20 0 DHADLP CCCC[N@@H+](Cc1nn(C)cc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545941 1036565761 /nfs/dbraw/zinc/56/57/61/1036565761.db2.gz VJOUKRLENWSIRB-UHFFFAOYSA-N 2 2 320.525 3.640 20 0 DHADLP CO[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1CCCC1 ZINC001183378794 1036590303 /nfs/dbraw/zinc/59/03/03/1036590303.db2.gz DTDKISGCJZBWDZ-MOPGFXCFSA-N 2 2 308.510 3.578 20 0 DHADLP CO[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1CCCC1 ZINC001183378794 1036590315 /nfs/dbraw/zinc/59/03/15/1036590315.db2.gz DTDKISGCJZBWDZ-MOPGFXCFSA-N 2 2 308.510 3.578 20 0 DHADLP CCOc1c(Cl)ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1F ZINC001205281017 1036666800 /nfs/dbraw/zinc/66/68/00/1036666800.db2.gz ODUXBHSQPSJMIK-INIZCTEOSA-N 2 2 314.832 3.581 20 0 DHADLP CCOc1c(Cl)ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1F ZINC001205281017 1036666808 /nfs/dbraw/zinc/66/68/08/1036666808.db2.gz ODUXBHSQPSJMIK-INIZCTEOSA-N 2 2 314.832 3.581 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC001197551937 1036799431 /nfs/dbraw/zinc/79/94/31/1036799431.db2.gz DLNXJUBFVZUJSX-MRXNPFEDSA-N 2 2 323.362 3.955 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC001197551937 1036799440 /nfs/dbraw/zinc/79/94/40/1036799440.db2.gz DLNXJUBFVZUJSX-MRXNPFEDSA-N 2 2 323.362 3.955 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC001184373923 1036826790 /nfs/dbraw/zinc/82/67/90/1036826790.db2.gz GAXIQLRSHNTIRJ-LSDHHAIUSA-N 2 2 307.507 3.571 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC001184373923 1036826808 /nfs/dbraw/zinc/82/68/08/1036826808.db2.gz GAXIQLRSHNTIRJ-LSDHHAIUSA-N 2 2 307.507 3.571 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)CC2Cc3ccccc3C2)CC1 ZINC000570093874 1036925690 /nfs/dbraw/zinc/92/56/90/1036925690.db2.gz XBPQWPFKDRZQFQ-UHFFFAOYSA-N 2 2 324.468 3.591 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccco2)CC2Cc3ccccc3C2)CC1 ZINC000570093874 1036925704 /nfs/dbraw/zinc/92/57/04/1036925704.db2.gz XBPQWPFKDRZQFQ-UHFFFAOYSA-N 2 2 324.468 3.591 20 0 DHADLP CCC[N@H+](C[C@@H](CC)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198641558 1037089357 /nfs/dbraw/zinc/08/93/57/1037089357.db2.gz SDOUKEOLLFLWIV-HXUWFJFHSA-N 2 2 318.505 3.788 20 0 DHADLP CCC[N@@H+](C[C@@H](CC)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198641558 1037089372 /nfs/dbraw/zinc/08/93/72/1037089372.db2.gz SDOUKEOLLFLWIV-HXUWFJFHSA-N 2 2 318.505 3.788 20 0 DHADLP CC(C)Oc1ccccc1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001198767888 1037129286 /nfs/dbraw/zinc/12/92/86/1037129286.db2.gz FHDDKUDZJKMRAY-UHFFFAOYSA-N 2 2 313.445 3.587 20 0 DHADLP CCC[C@@H](C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001198900998 1037154777 /nfs/dbraw/zinc/15/47/77/1037154777.db2.gz NGOUCPGPCGCMQL-PMACEKPBSA-N 2 2 318.505 3.517 20 0 DHADLP CCC[C@@H](C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC001198900998 1037154782 /nfs/dbraw/zinc/15/47/82/1037154782.db2.gz NGOUCPGPCGCMQL-PMACEKPBSA-N 2 2 318.505 3.517 20 0 DHADLP CCc1cc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001185746875 1037226067 /nfs/dbraw/zinc/22/60/67/1037226067.db2.gz VZWLZIIYUWWMRN-MAUKXSAKSA-N 2 2 324.472 3.676 20 0 DHADLP CCc1cc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001185746875 1037226077 /nfs/dbraw/zinc/22/60/77/1037226077.db2.gz VZWLZIIYUWWMRN-MAUKXSAKSA-N 2 2 324.472 3.676 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC001199294834 1037235009 /nfs/dbraw/zinc/23/50/09/1037235009.db2.gz AWOVZDYBEGBCBA-HNBVOPMISA-N 2 2 322.537 3.824 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC001199294834 1037235021 /nfs/dbraw/zinc/23/50/21/1037235021.db2.gz AWOVZDYBEGBCBA-HNBVOPMISA-N 2 2 322.537 3.824 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC001199294836 1037235977 /nfs/dbraw/zinc/23/59/77/1037235977.db2.gz AWOVZDYBEGBCBA-IZBJGVDFSA-N 2 2 322.537 3.824 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC001199294836 1037235987 /nfs/dbraw/zinc/23/59/87/1037235987.db2.gz AWOVZDYBEGBCBA-IZBJGVDFSA-N 2 2 322.537 3.824 20 0 DHADLP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282131418 1037490667 /nfs/dbraw/zinc/49/06/67/1037490667.db2.gz RJJUTLVEGSELPT-JKSUJKDBSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282131418 1037490677 /nfs/dbraw/zinc/49/06/77/1037490677.db2.gz RJJUTLVEGSELPT-JKSUJKDBSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C(C)(C)C ZINC000670268384 1037491641 /nfs/dbraw/zinc/49/16/41/1037491641.db2.gz ZTOQKACTJQJZJS-JKSUJKDBSA-N 2 2 303.494 3.879 20 0 DHADLP C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348837393 1037537077 /nfs/dbraw/zinc/53/70/77/1037537077.db2.gz HQPFROHJTQFBHF-RHSMWYFYSA-N 2 2 315.486 3.788 20 0 DHADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc2sccc2nc1Cl ZINC001205916225 1037612293 /nfs/dbraw/zinc/61/22/93/1037612293.db2.gz TWOPQNUIWZFBNH-QWRGUYRKSA-N 2 2 309.866 3.509 20 0 DHADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2sccc2nc1Cl ZINC001205916225 1037612298 /nfs/dbraw/zinc/61/22/98/1037612298.db2.gz TWOPQNUIWZFBNH-QWRGUYRKSA-N 2 2 309.866 3.509 20 0 DHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1cc2sccc2nc1Cl ZINC001205916224 1037613036 /nfs/dbraw/zinc/61/30/36/1037613036.db2.gz TWOPQNUIWZFBNH-MNOVXSKESA-N 2 2 309.866 3.509 20 0 DHADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc2sccc2nc1Cl ZINC001205916224 1037613042 /nfs/dbraw/zinc/61/30/42/1037613042.db2.gz TWOPQNUIWZFBNH-MNOVXSKESA-N 2 2 309.866 3.509 20 0 DHADLP CCc1cc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)nc(C)[nH+]1 ZINC001187361739 1037620235 /nfs/dbraw/zinc/62/02/35/1037620235.db2.gz ORZPXOZVFHIPFM-KRWDZBQOSA-N 2 2 302.466 3.556 20 0 DHADLP CCc1cc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)nc(C)[nH+]1 ZINC001187361739 1037620245 /nfs/dbraw/zinc/62/02/45/1037620245.db2.gz ORZPXOZVFHIPFM-KRWDZBQOSA-N 2 2 302.466 3.556 20 0 DHADLP C[NH+](C)Cc1cccc(Nc2[nH+]cccc2N2CCCCC2)c1 ZINC001201392100 1037653791 /nfs/dbraw/zinc/65/37/91/1037653791.db2.gz SCHICWWCEICZMF-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP CCCC[C@H](CC)C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201560328 1037776488 /nfs/dbraw/zinc/77/64/88/1037776488.db2.gz RWPIRALXLONTNE-IHPCNDPISA-N 2 2 315.505 3.662 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C(F)(F)F)CC1 ZINC000185521142 1037815131 /nfs/dbraw/zinc/81/51/31/1037815131.db2.gz JYMBXNKDOHTFPM-FJBKBRRZSA-N 2 2 318.427 3.914 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C(F)(F)F)CC1 ZINC000185521142 1037815144 /nfs/dbraw/zinc/81/51/44/1037815144.db2.gz JYMBXNKDOHTFPM-FJBKBRRZSA-N 2 2 318.427 3.914 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(C(F)(F)F)CC1 ZINC000185521142 1037815161 /nfs/dbraw/zinc/81/51/61/1037815161.db2.gz JYMBXNKDOHTFPM-FJBKBRRZSA-N 2 2 318.427 3.914 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(C(F)(F)F)CC1 ZINC000185521142 1037815170 /nfs/dbraw/zinc/81/51/70/1037815170.db2.gz JYMBXNKDOHTFPM-FJBKBRRZSA-N 2 2 318.427 3.914 20 0 DHADLP Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cnc1F ZINC001201851302 1037908286 /nfs/dbraw/zinc/90/82/86/1037908286.db2.gz UGOUFDAXNHGBDJ-CQSZACIVSA-N 2 2 310.376 3.566 20 0 DHADLP Clc1ccc(OC2CCCC2)c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC001201832736 1037915524 /nfs/dbraw/zinc/91/55/24/1037915524.db2.gz FCPUHQASKONELG-UHFFFAOYSA-N 2 2 322.880 3.847 20 0 DHADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1Cl ZINC000666993749 1037925943 /nfs/dbraw/zinc/92/59/43/1037925943.db2.gz HCWLNMXZENDXKR-LLVKDONJSA-N 2 2 317.235 3.897 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1csc(-c2ccccc2)n1 ZINC000571177728 1038084279 /nfs/dbraw/zinc/08/42/79/1038084279.db2.gz OPCKPKXQRBVYLF-TZMCWYRMSA-N 2 2 324.453 3.741 20 0 DHADLP CC[C@@]1(C)CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001191216065 1038464722 /nfs/dbraw/zinc/46/47/22/1038464722.db2.gz YLFJANXHIKPLDK-FQEVSTJZSA-N 2 2 316.489 3.531 20 0 DHADLP CC[C@@]1(C)CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001191216065 1038464725 /nfs/dbraw/zinc/46/47/25/1038464725.db2.gz YLFJANXHIKPLDK-FQEVSTJZSA-N 2 2 316.489 3.531 20 0 DHADLP CC[N@H+](CC1CC(C)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001191234011 1038473682 /nfs/dbraw/zinc/47/36/82/1038473682.db2.gz RTOABDZQSNTTCA-UHFFFAOYSA-N 2 2 301.478 3.666 20 0 DHADLP CC[N@@H+](CC1CC(C)C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC001191234011 1038473683 /nfs/dbraw/zinc/47/36/83/1038473683.db2.gz RTOABDZQSNTTCA-UHFFFAOYSA-N 2 2 301.478 3.666 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000572826389 1038505282 /nfs/dbraw/zinc/50/52/82/1038505282.db2.gz OMBAUGSEKIUKSX-OAHLLOKOSA-N 2 2 323.550 3.898 20 0 DHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(C(C)(C)C)s2)C1 ZINC000572826389 1038505290 /nfs/dbraw/zinc/50/52/90/1038505290.db2.gz OMBAUGSEKIUKSX-OAHLLOKOSA-N 2 2 323.550 3.898 20 0 DHADLP Fc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001168400242 1038764174 /nfs/dbraw/zinc/76/41/74/1038764174.db2.gz KIRNGKCCJWGJKU-LJQANCHMSA-N 2 2 321.399 3.659 20 0 DHADLP C[NH+](C)c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000224956680 1038768867 /nfs/dbraw/zinc/76/88/67/1038768867.db2.gz XLPKJBQBUSEMCE-UHFFFAOYSA-N 2 2 309.457 3.829 20 0 DHADLP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000591869443 1039036842 /nfs/dbraw/zinc/03/68/42/1039036842.db2.gz WRHCDZQSFJMOBB-QGZVFWFLSA-N 2 2 322.412 3.684 20 0 DHADLP Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000591869443 1039036867 /nfs/dbraw/zinc/03/68/67/1039036867.db2.gz WRHCDZQSFJMOBB-QGZVFWFLSA-N 2 2 322.412 3.684 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000158075273 1039938678 /nfs/dbraw/zinc/93/86/78/1039938678.db2.gz VLGXQWVVKCKING-KRWDZBQOSA-N 2 2 313.489 3.667 20 0 DHADLP CCSC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000595099627 1040064065 /nfs/dbraw/zinc/06/40/65/1040064065.db2.gz MKJULTORJWPJTG-CQSZACIVSA-N 2 2 301.459 3.809 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000575102004 1040182424 /nfs/dbraw/zinc/18/24/24/1040182424.db2.gz JTAYJUUTRCGACX-NSHDSACASA-N 2 2 320.318 3.951 20 0 DHADLP COc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608069357 1040363177 /nfs/dbraw/zinc/36/31/77/1040363177.db2.gz BXJSYQWIGUGUGK-LJQANCHMSA-N 2 2 321.424 3.502 20 0 DHADLP Cc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000608070040 1040364979 /nfs/dbraw/zinc/36/49/79/1040364979.db2.gz FLWBZOGEVZOADZ-IBGZPJMESA-N 2 2 305.425 3.802 20 0 DHADLP c1ccc(NC2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)[nH+]c1 ZINC000534128832 1040724316 /nfs/dbraw/zinc/72/43/16/1040724316.db2.gz JJBLYWDWSIPWJL-UHFFFAOYSA-N 2 2 307.441 3.647 20 0 DHADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cccc(O)c1 ZINC000669615331 1040783617 /nfs/dbraw/zinc/78/36/17/1040783617.db2.gz LJUCTOMDLCFYSO-HNAYVOBHSA-N 2 2 321.424 3.760 20 0 DHADLP C[N@@H+](Cc1cnc(C2CCCCC2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000534342408 1040810693 /nfs/dbraw/zinc/81/06/93/1040810693.db2.gz ZAOCNPMAHUGZGI-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP C[N@H+](Cc1cnc(C2CCCCC2)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000534342408 1040810709 /nfs/dbraw/zinc/81/07/09/1040810709.db2.gz ZAOCNPMAHUGZGI-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP C[NH+](Cc1cnc(C2CCCCC2)s1)C[C@@H]1CCC[N@H+](C)C1 ZINC000534342408 1040810729 /nfs/dbraw/zinc/81/07/29/1040810729.db2.gz ZAOCNPMAHUGZGI-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP C[NH+](Cc1cnc(C2CCCCC2)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000534342408 1040810742 /nfs/dbraw/zinc/81/07/42/1040810742.db2.gz ZAOCNPMAHUGZGI-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000090667387 185308460 /nfs/dbraw/zinc/30/84/60/185308460.db2.gz LLXZYOANSQPYRN-CVEARBPZSA-N 2 2 301.478 3.775 20 0 DHADLP C[N@H+](CC1CCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968901 192207320 /nfs/dbraw/zinc/20/73/20/192207320.db2.gz AYBULYKWBZBUHV-UHFFFAOYSA-N 2 2 315.505 3.601 20 0 DHADLP C[N@@H+](CC1CCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968901 192207323 /nfs/dbraw/zinc/20/73/23/192207323.db2.gz AYBULYKWBZBUHV-UHFFFAOYSA-N 2 2 315.505 3.601 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000186747315 200003655 /nfs/dbraw/zinc/00/36/55/200003655.db2.gz QQORWXCVEHJWAM-KBPBESRZSA-N 2 2 312.442 3.783 20 0 DHADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccncc2)CC1 ZINC000093302118 193226880 /nfs/dbraw/zinc/22/68/80/193226880.db2.gz MKIATLNDTYNKMQ-UHFFFAOYSA-N 2 2 320.440 3.831 20 0 DHADLP CCC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000019233111 182110165 /nfs/dbraw/zinc/11/01/65/182110165.db2.gz WJBBEBGWUNGYPO-UHFFFAOYSA-N 2 2 301.261 3.957 20 0 DHADLP Cc1ccc2[nH+]c(CNc3ccc(C[NH+]4CCCC4)cc3)cn2c1 ZINC000272553646 130040500 /nfs/dbraw/zinc/04/05/00/130040500.db2.gz MLIPKKWFDYSATK-UHFFFAOYSA-N 2 2 320.440 3.851 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000272656289 130049658 /nfs/dbraw/zinc/04/96/58/130049658.db2.gz GLBARMMEZHNKKT-UHFFFAOYSA-N 2 2 320.786 3.846 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272661599 130050956 /nfs/dbraw/zinc/05/09/56/130050956.db2.gz HPWXBSUXOCDNNT-ZDUSSCGKSA-N 2 2 300.368 3.754 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(Cl)cn1 ZINC000274823563 130264880 /nfs/dbraw/zinc/26/48/80/130264880.db2.gz BYAJLGUBGPLGFB-LBPRGKRZSA-N 2 2 321.827 3.787 20 0 DHADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000278448013 130693151 /nfs/dbraw/zinc/69/31/51/130693151.db2.gz VTBJQWXPSDPMBH-HNNXBMFYSA-N 2 2 324.921 3.647 20 0 DHADLP Fc1ccc([C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)c(F)c1 ZINC000343313654 335064683 /nfs/dbraw/zinc/06/46/83/335064683.db2.gz UPFZMBSNLZEHOR-KRWDZBQOSA-N 2 2 305.372 3.779 20 0 DHADLP Fc1ccc([C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)c(F)c1 ZINC000343313654 335064684 /nfs/dbraw/zinc/06/46/84/335064684.db2.gz UPFZMBSNLZEHOR-KRWDZBQOSA-N 2 2 305.372 3.779 20 0 DHADLP Cc1cc([C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)no1 ZINC000283995527 131039660 /nfs/dbraw/zinc/03/96/60/131039660.db2.gz HMRXSHKMERMPTI-ZBFHGGJFSA-N 2 2 301.434 3.544 20 0 DHADLP Cc1cc([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)no1 ZINC000283995527 131039661 /nfs/dbraw/zinc/03/96/61/131039661.db2.gz HMRXSHKMERMPTI-ZBFHGGJFSA-N 2 2 301.434 3.544 20 0 DHADLP CCCCCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1OC ZINC000340197982 131138555 /nfs/dbraw/zinc/13/85/55/131138555.db2.gz XYLOAKLXMOCUIL-CQSZACIVSA-N 2 2 317.433 3.838 20 0 DHADLP c1c[nH]c([C@@H]([NH2+]CCCNc2cccc[nH+]2)C2CCCCC2)n1 ZINC000286036766 131217394 /nfs/dbraw/zinc/21/73/94/131217394.db2.gz KKGLABPODVHVEX-KRWDZBQOSA-N 2 2 313.449 3.518 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c(C)c1OC ZINC000286174580 131223117 /nfs/dbraw/zinc/22/31/17/131223117.db2.gz QABVSJRAKRZTTK-OAHLLOKOSA-N 2 2 314.429 3.609 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000286304667 131229465 /nfs/dbraw/zinc/22/94/65/131229465.db2.gz XFWBACXKUZKSED-OAHLLOKOSA-N 2 2 308.429 3.560 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340227257 131234199 /nfs/dbraw/zinc/23/41/99/131234199.db2.gz WZEOLQHFLCUHIX-UAGQMJEPSA-N 2 2 315.486 3.938 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340227257 131234200 /nfs/dbraw/zinc/23/42/00/131234200.db2.gz WZEOLQHFLCUHIX-UAGQMJEPSA-N 2 2 315.486 3.938 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340230258 131238016 /nfs/dbraw/zinc/23/80/16/131238016.db2.gz IZLCVLJZJRJCKW-QGZVFWFLSA-N 2 2 308.510 3.578 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000287421241 131279980 /nfs/dbraw/zinc/27/99/80/131279980.db2.gz SGSBLWYUHISWKL-ABSDTBQOSA-N 2 2 309.457 3.704 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287421241 131279982 /nfs/dbraw/zinc/27/99/82/131279982.db2.gz SGSBLWYUHISWKL-ABSDTBQOSA-N 2 2 309.457 3.704 20 0 DHADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCOC2CCC2)CC1 ZINC000287657699 131293246 /nfs/dbraw/zinc/29/32/46/131293246.db2.gz GYIHFTOMCNWEQE-UHFFFAOYSA-N 2 2 313.445 3.551 20 0 DHADLP Clc1cccc2c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc[nH+]c12 ZINC000287754335 131299108 /nfs/dbraw/zinc/29/91/08/131299108.db2.gz HEGGTRKPNWHECH-GFCCVEGCSA-N 2 2 312.804 3.995 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000289048856 131354798 /nfs/dbraw/zinc/35/47/98/131354798.db2.gz BEVBLRDBASUVHK-VQTJNVASSA-N 2 2 310.441 3.833 20 0 DHADLP CCN(CC)[C@H](C[NH2+]CCCc1c[nH+]ccc1C)c1ccco1 ZINC000289077483 131356077 /nfs/dbraw/zinc/35/60/77/131356077.db2.gz CZMCXKFAQSIQSC-GOSISDBHSA-N 2 2 315.461 3.588 20 0 DHADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000289240225 131368763 /nfs/dbraw/zinc/36/87/63/131368763.db2.gz LAWKUSIVDKRWBX-OAHLLOKOSA-N 2 2 311.429 3.632 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1csc(C(C)C)n1 ZINC000289279450 131370824 /nfs/dbraw/zinc/37/08/24/131370824.db2.gz OMIFDVYNJHBQOE-UHFFFAOYSA-N 2 2 303.475 3.735 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]CCCCC2CCOCC2)[C@@H]1c1ccccc1 ZINC000289443602 131386039 /nfs/dbraw/zinc/38/60/39/131386039.db2.gz UCXJOIDVLWMZPS-UXHICEINSA-N 2 2 316.489 3.618 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]CCCCC2CCOCC2)[C@@H]1c1ccccc1 ZINC000289443602 131386041 /nfs/dbraw/zinc/38/60/41/131386041.db2.gz UCXJOIDVLWMZPS-UXHICEINSA-N 2 2 316.489 3.618 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]CCCCC2CCOCC2)[C@H]1c1ccccc1 ZINC000289443606 131386442 /nfs/dbraw/zinc/38/64/42/131386442.db2.gz UCXJOIDVLWMZPS-WOJBJXKFSA-N 2 2 316.489 3.618 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]CCCCC2CCOCC2)[C@H]1c1ccccc1 ZINC000289443606 131386443 /nfs/dbraw/zinc/38/64/43/131386443.db2.gz UCXJOIDVLWMZPS-WOJBJXKFSA-N 2 2 316.489 3.618 20 0 DHADLP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000289970638 131439480 /nfs/dbraw/zinc/43/94/80/131439480.db2.gz BQHBRFWEHWVUSD-BEFAXECRSA-N 2 2 316.420 3.828 20 0 DHADLP C[C@H]([NH2+]C(C)(C)CN[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000297592438 132024143 /nfs/dbraw/zinc/02/41/43/132024143.db2.gz HPXMPTCIMIODQW-HLLBOEOZSA-N 2 2 312.461 3.608 20 0 DHADLP CN1CCCc2cc([NH2+]C3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC000297814477 132035704 /nfs/dbraw/zinc/03/57/04/132035704.db2.gz YKEJWDGAMSGQKS-UHFFFAOYSA-N 2 2 322.456 3.545 20 0 DHADLP C[N@@H+]1CCCc2cc(NC3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC000297814477 132035705 /nfs/dbraw/zinc/03/57/05/132035705.db2.gz YKEJWDGAMSGQKS-UHFFFAOYSA-N 2 2 322.456 3.545 20 0 DHADLP C[N@H+]1CCCc2cc(NC3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC000297814477 132035707 /nfs/dbraw/zinc/03/57/07/132035707.db2.gz YKEJWDGAMSGQKS-UHFFFAOYSA-N 2 2 322.456 3.545 20 0 DHADLP CSc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000340582676 132036982 /nfs/dbraw/zinc/03/69/82/132036982.db2.gz SZDFMLNLOAEVGV-ZDUSSCGKSA-N 2 2 306.456 3.518 20 0 DHADLP CSc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000340582676 132036983 /nfs/dbraw/zinc/03/69/83/132036983.db2.gz SZDFMLNLOAEVGV-ZDUSSCGKSA-N 2 2 306.456 3.518 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000298560657 132068917 /nfs/dbraw/zinc/06/89/17/132068917.db2.gz VWHSZLUVDJLSNU-XUVXKRRUSA-N 2 2 309.457 3.621 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000298560657 132068918 /nfs/dbraw/zinc/06/89/18/132068918.db2.gz VWHSZLUVDJLSNU-XUVXKRRUSA-N 2 2 309.457 3.621 20 0 DHADLP c1cc2c(o1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000120769120 132149617 /nfs/dbraw/zinc/14/96/17/132149617.db2.gz VOHSITMWPZEUGT-LJQANCHMSA-N 2 2 310.441 3.911 20 0 DHADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)c1ccc(OC)cc1 ZINC000150961596 196609170 /nfs/dbraw/zinc/60/91/70/196609170.db2.gz XFHCBUOVEGVKSV-AEFFLSMTSA-N 2 2 313.445 3.646 20 0 DHADLP Cc1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc(C2CC2)[nH+]1 ZINC000604756995 430551236 /nfs/dbraw/zinc/55/12/36/430551236.db2.gz RERDVRLCFYBWTC-UHFFFAOYSA-N 2 2 319.412 3.519 20 0 DHADLP C[C@@H](C[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000525875082 335089017 /nfs/dbraw/zinc/08/90/17/335089017.db2.gz RJOSVQDUCAHHGQ-OXJNMPFZSA-N 2 2 314.448 3.692 20 0 DHADLP CCCOC1(C[NH2+]Cc2cccc3[nH+]ccn32)CCCCC1 ZINC000570729675 332807131 /nfs/dbraw/zinc/80/71/31/332807131.db2.gz MZVOOBVYFPDIQT-UHFFFAOYSA-N 2 2 301.434 3.553 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]CC3CC(c4ccccc4)C3)n2c1 ZINC000574929025 332852495 /nfs/dbraw/zinc/85/24/95/332852495.db2.gz LVBNWRHRBRRGRV-UHFFFAOYSA-N 2 2 305.425 3.926 20 0 DHADLP Clc1ccc(/C=C\C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000255057721 331645855 /nfs/dbraw/zinc/64/58/55/331645855.db2.gz XATGFMMYUFVOHX-ARJAWSKDSA-N 2 2 304.865 3.913 20 0 DHADLP Clc1cccc2c(N3CC[C@@H]([NH+]4CCCCC4)C3)cc[nH+]c12 ZINC000557573541 331800324 /nfs/dbraw/zinc/80/03/24/331800324.db2.gz CHWXGDDOCBIRLT-CQSZACIVSA-N 2 2 315.848 3.953 20 0 DHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000558258954 331889304 /nfs/dbraw/zinc/88/93/04/331889304.db2.gz TWZVBEWFNGMOAK-STQMWFEESA-N 2 2 302.384 3.566 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000558402023 331902598 /nfs/dbraw/zinc/90/25/98/331902598.db2.gz XMDQONJKSAZSLG-UHFFFAOYSA-N 2 2 323.484 3.923 20 0 DHADLP Cc1ccc(C)c([C@@H]([NH2+]CCc2cn(C)c[nH+]2)c2ccccc2)c1 ZINC000313269629 331928890 /nfs/dbraw/zinc/92/88/90/331928890.db2.gz ZCEKTEQPXXOYTE-NRFANRHFSA-N 2 2 319.452 3.959 20 0 DHADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccnn1C1CCCC1 ZINC000449325160 332037072 /nfs/dbraw/zinc/03/70/72/332037072.db2.gz KKIOZMLPMDESAH-UHFFFAOYSA-N 2 2 306.498 3.552 20 0 DHADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccnn1C1CCCC1 ZINC000449325160 332037075 /nfs/dbraw/zinc/03/70/75/332037075.db2.gz KKIOZMLPMDESAH-UHFFFAOYSA-N 2 2 306.498 3.552 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2Br)c2ccccc21 ZINC000132047937 332089503 /nfs/dbraw/zinc/08/95/03/332089503.db2.gz QFLMPEVGAWGPFH-HOTGVXAUSA-N 2 2 317.230 3.684 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C[C@H](C)O1 ZINC000569544420 332132781 /nfs/dbraw/zinc/13/27/81/332132781.db2.gz JVBSMGUQCYXEOM-PIIMJCKOSA-N 2 2 308.510 3.578 20 0 DHADLP Clc1cccc(Cl)c1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427100835 332167685 /nfs/dbraw/zinc/16/76/85/332167685.db2.gz OIQWGZAUHZYGIH-LRDDRELGSA-N 2 2 313.272 3.610 20 0 DHADLP Clc1cccc(Cl)c1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427100835 332167686 /nfs/dbraw/zinc/16/76/86/332167686.db2.gz OIQWGZAUHZYGIH-LRDDRELGSA-N 2 2 313.272 3.610 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C[N@@H+]1C1CC1 ZINC000449432698 332175829 /nfs/dbraw/zinc/17/58/29/332175829.db2.gz IRQDXUYVISNVAT-XPCVCDNBSA-N 2 2 304.400 3.712 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)C[N@H+]1C1CC1 ZINC000449432698 332175831 /nfs/dbraw/zinc/17/58/31/332175831.db2.gz IRQDXUYVISNVAT-XPCVCDNBSA-N 2 2 304.400 3.712 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448020299 332178601 /nfs/dbraw/zinc/17/86/01/332178601.db2.gz BHHJPMNXFAVXES-QWQRMKEZSA-N 2 2 316.420 3.904 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448020299 332178603 /nfs/dbraw/zinc/17/86/03/332178603.db2.gz BHHJPMNXFAVXES-QWQRMKEZSA-N 2 2 316.420 3.904 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@@H](C)C1 ZINC000448026882 332195681 /nfs/dbraw/zinc/19/56/81/332195681.db2.gz KHKDMXCPKBGTFR-KBXCAEBGSA-N 2 2 316.420 3.906 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccco3)cc2F)[C@@H](C)C1 ZINC000448026882 332195683 /nfs/dbraw/zinc/19/56/83/332195683.db2.gz KHKDMXCPKBGTFR-KBXCAEBGSA-N 2 2 316.420 3.906 20 0 DHADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000584291607 332220294 /nfs/dbraw/zinc/22/02/94/332220294.db2.gz YJIUHCJHFJPNMQ-BBRMVZONSA-N 2 2 313.470 3.656 20 0 DHADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000584291607 332220295 /nfs/dbraw/zinc/22/02/95/332220295.db2.gz YJIUHCJHFJPNMQ-BBRMVZONSA-N 2 2 313.470 3.656 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536368777 332232861 /nfs/dbraw/zinc/23/28/61/332232861.db2.gz LGLYJXMLKPBVFG-ZDUSSCGKSA-N 2 2 317.383 3.997 20 0 DHADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)o1 ZINC000363789460 332248671 /nfs/dbraw/zinc/24/86/71/332248671.db2.gz ABHJAFSICRAACE-AWEZNQCLSA-N 2 2 304.459 3.965 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000536499139 332253129 /nfs/dbraw/zinc/25/31/29/332253129.db2.gz VWNLMZXRZGNUHW-FGTMMUONSA-N 2 2 304.865 3.934 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000536499139 332253130 /nfs/dbraw/zinc/25/31/30/332253130.db2.gz VWNLMZXRZGNUHW-FGTMMUONSA-N 2 2 304.865 3.934 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000559778344 332281203 /nfs/dbraw/zinc/28/12/03/332281203.db2.gz ZYIVQOBDNWNCBE-VQTJNVASSA-N 2 2 312.432 3.793 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@H]1c1ccccc1 ZINC000559778344 332281205 /nfs/dbraw/zinc/28/12/05/332281205.db2.gz ZYIVQOBDNWNCBE-VQTJNVASSA-N 2 2 312.432 3.793 20 0 DHADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCNc1cccc[nH+]1 ZINC000560524701 332351172 /nfs/dbraw/zinc/35/11/72/332351172.db2.gz LHDFXXXSBXELLO-AWEZNQCLSA-N 2 2 319.399 3.773 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427843061 332536656 /nfs/dbraw/zinc/53/66/56/332536656.db2.gz LSCXBKOZVRLCRR-AAEUAGOBSA-N 2 2 318.490 3.611 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)ccc2c1 ZINC000427886260 332554664 /nfs/dbraw/zinc/55/46/64/332554664.db2.gz OPSQIUTXJQTTTK-KSSFIOAISA-N 2 2 321.424 3.711 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000314004560 333081694 /nfs/dbraw/zinc/08/16/94/333081694.db2.gz DZQKHSVZKIHBSV-SFHVURJKSA-N 2 2 304.478 3.685 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000314004560 333081695 /nfs/dbraw/zinc/08/16/95/333081695.db2.gz DZQKHSVZKIHBSV-SFHVURJKSA-N 2 2 304.478 3.685 20 0 DHADLP Cc1cccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccn2)c1 ZINC000179534268 333152281 /nfs/dbraw/zinc/15/22/81/333152281.db2.gz VPDBRDQZCZSRRZ-KPFFTGBYSA-N 2 2 309.457 3.552 20 0 DHADLP Cc1cccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccn2)c1 ZINC000179534268 333152282 /nfs/dbraw/zinc/15/22/82/333152282.db2.gz VPDBRDQZCZSRRZ-KPFFTGBYSA-N 2 2 309.457 3.552 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(F)c1 ZINC000387762835 333172641 /nfs/dbraw/zinc/17/26/41/333172641.db2.gz XNKNLPLEMFRQFM-HUUCEWRRSA-N 2 2 308.441 3.749 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(F)c1 ZINC000387762835 333172643 /nfs/dbraw/zinc/17/26/43/333172643.db2.gz XNKNLPLEMFRQFM-HUUCEWRRSA-N 2 2 308.441 3.749 20 0 DHADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000563045915 333173974 /nfs/dbraw/zinc/17/39/74/333173974.db2.gz STANRSNRMKUMLM-UHFFFAOYSA-N 2 2 324.468 3.740 20 0 DHADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000563045915 333173975 /nfs/dbraw/zinc/17/39/75/333173975.db2.gz STANRSNRMKUMLM-UHFFFAOYSA-N 2 2 324.468 3.740 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367633655 333207384 /nfs/dbraw/zinc/20/73/84/333207384.db2.gz IWPKOMWEGDXCOC-SFHVURJKSA-N 2 2 318.509 3.741 20 0 DHADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2ncccc2c1 ZINC000310293271 333232304 /nfs/dbraw/zinc/23/23/04/333232304.db2.gz OFCMHASIHXAXHH-KRWDZBQOSA-N 2 2 319.452 3.845 20 0 DHADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2ncccc2c1 ZINC000310293271 333232305 /nfs/dbraw/zinc/23/23/05/333232305.db2.gz OFCMHASIHXAXHH-KRWDZBQOSA-N 2 2 319.452 3.845 20 0 DHADLP CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390565721 333300828 /nfs/dbraw/zinc/30/08/28/333300828.db2.gz PFLDSVYMBOLKQW-FQEVSTJZSA-N 2 2 324.468 3.840 20 0 DHADLP COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390596217 333304445 /nfs/dbraw/zinc/30/44/45/333304445.db2.gz SUYJNLBLLLRUGV-HXUWFJFHSA-N 2 2 324.468 3.758 20 0 DHADLP COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390596216 333304642 /nfs/dbraw/zinc/30/46/42/333304642.db2.gz SUYJNLBLLLRUGV-FQEVSTJZSA-N 2 2 324.468 3.758 20 0 DHADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1OC(F)F ZINC000525783748 333309694 /nfs/dbraw/zinc/30/96/94/333309694.db2.gz FJGPMKSHGDEOLP-OAHLLOKOSA-N 2 2 312.404 3.594 20 0 DHADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1OC(F)F ZINC000525783748 333309695 /nfs/dbraw/zinc/30/96/95/333309695.db2.gz FJGPMKSHGDEOLP-OAHLLOKOSA-N 2 2 312.404 3.594 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1OC(F)F ZINC000525783748 333309696 /nfs/dbraw/zinc/30/96/96/333309696.db2.gz FJGPMKSHGDEOLP-OAHLLOKOSA-N 2 2 312.404 3.594 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1OC(F)F ZINC000525783748 333309697 /nfs/dbraw/zinc/30/96/97/333309697.db2.gz FJGPMKSHGDEOLP-OAHLLOKOSA-N 2 2 312.404 3.594 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000514090989 333316849 /nfs/dbraw/zinc/31/68/49/333316849.db2.gz XRKAMLFPBZPQNY-WMZOPIPTSA-N 2 2 318.509 3.885 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000514090989 333316851 /nfs/dbraw/zinc/31/68/51/333316851.db2.gz XRKAMLFPBZPQNY-WMZOPIPTSA-N 2 2 318.509 3.885 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000514090988 333316977 /nfs/dbraw/zinc/31/69/77/333316977.db2.gz XRKAMLFPBZPQNY-SJLPKXTDSA-N 2 2 318.509 3.885 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000514090988 333316978 /nfs/dbraw/zinc/31/69/78/333316978.db2.gz XRKAMLFPBZPQNY-SJLPKXTDSA-N 2 2 318.509 3.885 20 0 DHADLP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000583467822 333359901 /nfs/dbraw/zinc/35/99/01/333359901.db2.gz VOASWDKIMHCOHC-WSTZPKSXSA-N 2 2 300.490 3.814 20 0 DHADLP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000583467822 333359903 /nfs/dbraw/zinc/35/99/03/333359903.db2.gz VOASWDKIMHCOHC-WSTZPKSXSA-N 2 2 300.490 3.814 20 0 DHADLP CC1CC[NH+](CCC[NH2+]Cc2csc(C(C)(C)C)n2)CC1 ZINC000067184785 333447588 /nfs/dbraw/zinc/44/75/88/333447588.db2.gz WTJMQDSBCLLEMU-UHFFFAOYSA-N 2 2 309.523 3.652 20 0 DHADLP Clc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000531684717 333541196 /nfs/dbraw/zinc/54/11/96/333541196.db2.gz UZICXEBFVIEJLU-MRXNPFEDSA-N 2 2 319.836 3.820 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@H]2CC(C)(C)OC2(C)C)[NH+](C)C)cc1 ZINC000531707765 333548625 /nfs/dbraw/zinc/54/86/25/333548625.db2.gz YSWFDBJTMLUDJL-SJORKVTESA-N 2 2 304.478 3.533 20 0 DHADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000563429725 333604201 /nfs/dbraw/zinc/60/42/01/333604201.db2.gz WDCAHZLZIDSWDM-IAQYHMDHSA-N 2 2 321.877 3.551 20 0 DHADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2OCc2ccccc2)n1C ZINC000563439192 333605647 /nfs/dbraw/zinc/60/56/47/333605647.db2.gz JXGPTSUXXMQIFL-UHFFFAOYSA-N 2 2 321.424 3.597 20 0 DHADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000190859927 335157401 /nfs/dbraw/zinc/15/74/01/335157401.db2.gz LBJMVRHJJYLFMK-LBPRGKRZSA-N 2 2 311.351 3.636 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)n1C ZINC000571582561 333817739 /nfs/dbraw/zinc/81/77/39/333817739.db2.gz UDVRXZVTVXOHIP-GOSISDBHSA-N 2 2 301.409 3.889 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1csc(-c2ccccc2)n1 ZINC000414061335 333889011 /nfs/dbraw/zinc/88/90/11/333889011.db2.gz ZBHXZCMTGDUOLM-AWEZNQCLSA-N 2 2 312.442 3.748 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414077040 333892151 /nfs/dbraw/zinc/89/21/51/333892151.db2.gz YSESSWPJHLGMAG-AWEZNQCLSA-N 2 2 315.486 3.945 20 0 DHADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000414297428 333935369 /nfs/dbraw/zinc/93/53/69/333935369.db2.gz HOKTXNQUSIEWSZ-SJORKVTESA-N 2 2 301.478 3.855 20 0 DHADLP CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000272968469 334041512 /nfs/dbraw/zinc/04/15/12/334041512.db2.gz BSXPLRYWCBRTCL-CYBMUJFWSA-N 2 2 324.428 3.890 20 0 DHADLP CC(C)(C[NH2+][C@@H](c1ccccc1)c1ccccn1)C[NH+]1CCCC1 ZINC000276600674 334083220 /nfs/dbraw/zinc/08/32/20/334083220.db2.gz BCOOLOQEOHWSPO-FQEVSTJZSA-N 2 2 323.484 3.883 20 0 DHADLP C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C1(C[NH3+])CCC1 ZINC000414796900 334100208 /nfs/dbraw/zinc/10/02/08/334100208.db2.gz XXWKCSKYFPMVNY-UHFFFAOYSA-N 2 2 306.759 3.672 20 0 DHADLP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C1(C[NH3+])CCC1 ZINC000414796900 334100209 /nfs/dbraw/zinc/10/02/09/334100209.db2.gz XXWKCSKYFPMVNY-UHFFFAOYSA-N 2 2 306.759 3.672 20 0 DHADLP CCC([NH3+])(CC)C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000414803946 334103550 /nfs/dbraw/zinc/10/35/50/334103550.db2.gz DJSLHGDJPCMLDF-UHFFFAOYSA-N 2 2 309.885 3.547 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@H](C[NH3+])CC(C)C)s2)cc1 ZINC000414838392 334111786 /nfs/dbraw/zinc/11/17/86/334111786.db2.gz KRDGBQFUPMNSIE-HNNXBMFYSA-N 2 2 303.475 3.582 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC000414841230 334112872 /nfs/dbraw/zinc/11/28/72/334112872.db2.gz HMFWPWGEAFSIFH-GUDVDZBRSA-N 2 2 304.478 3.603 20 0 DHADLP [NH3+][C@@H](C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000414842814 334113001 /nfs/dbraw/zinc/11/30/01/334113001.db2.gz ZOXRHHQTOLJHMY-HNNXBMFYSA-N 2 2 312.310 3.634 20 0 DHADLP Cc1ccc2ncc(C[NH2+]C[C@@H]([NH3+])c3ccc(C(C)C)cc3)n2c1 ZINC000414845510 334116051 /nfs/dbraw/zinc/11/60/51/334116051.db2.gz MCZYHFRHCIXJBI-LJQANCHMSA-N 2 2 322.456 3.556 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc3c2NCC3)cc1 ZINC000414848524 334120541 /nfs/dbraw/zinc/12/05/41/334120541.db2.gz PYGAQZONAHKJEU-LJQANCHMSA-N 2 2 309.457 3.568 20 0 DHADLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2cccs2)n1)C1CCCCC1 ZINC000414855928 334128980 /nfs/dbraw/zinc/12/89/80/334128980.db2.gz XXRSPYNJCDGJAZ-CQSZACIVSA-N 2 2 321.515 3.869 20 0 DHADLP CC[NH2+]Cc1cccc(NCc2ccc(N(C)C(C)C)[nH+]c2)c1 ZINC000414860577 334132953 /nfs/dbraw/zinc/13/29/53/334132953.db2.gz DCRPZMGSDGNINO-UHFFFAOYSA-N 2 2 312.461 3.648 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000289525197 334166077 /nfs/dbraw/zinc/16/60/77/334166077.db2.gz GGRVCHGDJSRLDN-UHFFFAOYSA-N 2 2 315.486 3.790 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000289525197 334166079 /nfs/dbraw/zinc/16/60/79/334166079.db2.gz GGRVCHGDJSRLDN-UHFFFAOYSA-N 2 2 315.486 3.790 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000292754676 334191885 /nfs/dbraw/zinc/19/18/85/334191885.db2.gz ITUQJHHSPQYUHE-KSSFIOAISA-N 2 2 316.470 3.676 20 0 DHADLP C[C@H](CC1CCOCC1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414931947 334195133 /nfs/dbraw/zinc/19/51/33/334195133.db2.gz CDBBDIRECLBYAI-QRWLVFNGSA-N 2 2 312.457 3.634 20 0 DHADLP CCOc1ccc2c(c1)CC[N@@H+](CCCc1c[nH+]ccc1C)C2 ZINC000582149086 334273283 /nfs/dbraw/zinc/27/32/83/334273283.db2.gz VPMZQWHBQJLRDD-UHFFFAOYSA-N 2 2 310.441 3.780 20 0 DHADLP CCOc1ccc2c(c1)CC[N@H+](CCCc1c[nH+]ccc1C)C2 ZINC000582149086 334273284 /nfs/dbraw/zinc/27/32/84/334273284.db2.gz VPMZQWHBQJLRDD-UHFFFAOYSA-N 2 2 310.441 3.780 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000187828287 334274334 /nfs/dbraw/zinc/27/43/34/334274334.db2.gz OYVXSTINRFHBKM-HNNXBMFYSA-N 2 2 309.388 3.732 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000415044326 334261267 /nfs/dbraw/zinc/26/12/67/334261267.db2.gz BRLBCLOJRZICRJ-IBGZPJMESA-N 2 2 324.424 3.793 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CCc1ccsc1 ZINC000415064714 334262453 /nfs/dbraw/zinc/26/24/53/334262453.db2.gz LGZFDKWTCSNUQC-RDTXWAMCSA-N 2 2 302.487 3.921 20 0 DHADLP Fc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2Cl)cc1 ZINC000415088427 334277215 /nfs/dbraw/zinc/27/72/15/334277215.db2.gz XKUCWDLXFVHNBI-GOSISDBHSA-N 2 2 318.823 3.910 20 0 DHADLP Cc1ccccc1-c1cnc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000534528972 334279265 /nfs/dbraw/zinc/27/92/65/334279265.db2.gz OYZGSFVAFSBPGW-UHFFFAOYSA-N 2 2 322.412 3.753 20 0 DHADLP CCOc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc2)cc1 ZINC000415108724 334281624 /nfs/dbraw/zinc/28/16/24/334281624.db2.gz OWHSTKOVKQBZDF-QUCCMNQESA-N 2 2 310.441 3.516 20 0 DHADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000531939312 334298750 /nfs/dbraw/zinc/29/87/50/334298750.db2.gz LVGOIXDUNDYMAP-RDTXWAMCSA-N 2 2 301.409 3.716 20 0 DHADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000531965080 334319877 /nfs/dbraw/zinc/31/98/77/334319877.db2.gz AKFCEXSXTWYKCM-WFASDCNBSA-N 2 2 314.395 3.523 20 0 DHADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000531965080 334319879 /nfs/dbraw/zinc/31/98/79/334319879.db2.gz AKFCEXSXTWYKCM-WFASDCNBSA-N 2 2 314.395 3.523 20 0 DHADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000531965077 334320086 /nfs/dbraw/zinc/32/00/86/334320086.db2.gz AKFCEXSXTWYKCM-DOMZBBRYSA-N 2 2 314.395 3.523 20 0 DHADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000531965077 334320087 /nfs/dbraw/zinc/32/00/87/334320087.db2.gz AKFCEXSXTWYKCM-DOMZBBRYSA-N 2 2 314.395 3.523 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000534753187 334336923 /nfs/dbraw/zinc/33/69/23/334336923.db2.gz GNVFJQSJCZFBOL-IRXDYDNUSA-N 2 2 324.921 3.914 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000534753187 334336924 /nfs/dbraw/zinc/33/69/24/334336924.db2.gz GNVFJQSJCZFBOL-IRXDYDNUSA-N 2 2 324.921 3.914 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000534753187 334336925 /nfs/dbraw/zinc/33/69/25/334336925.db2.gz GNVFJQSJCZFBOL-IRXDYDNUSA-N 2 2 324.921 3.914 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000534753187 334336926 /nfs/dbraw/zinc/33/69/26/334336926.db2.gz GNVFJQSJCZFBOL-IRXDYDNUSA-N 2 2 324.921 3.914 20 0 DHADLP Clc1cccc2c1CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000531977492 334349019 /nfs/dbraw/zinc/34/90/19/334349019.db2.gz MWDMZKLOCWUPTH-INIZCTEOSA-N 2 2 301.821 3.814 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CCC2 ZINC000342322465 334532441 /nfs/dbraw/zinc/53/24/41/334532441.db2.gz LTDQPNQDFHGUHZ-KRWDZBQOSA-N 2 2 315.486 3.680 20 0 DHADLP C[NH+](C)CCc1ccc(CNc2cc(C(F)(F)F)cc[nH+]2)cc1 ZINC000342957675 334592540 /nfs/dbraw/zinc/59/25/40/334592540.db2.gz CZEYEXODLYDUMF-UHFFFAOYSA-N 2 2 323.362 3.817 20 0 DHADLP CO[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)CC(C)C ZINC000417330423 334709222 /nfs/dbraw/zinc/70/92/22/334709222.db2.gz DPZBKDKDQMSBKO-QAPCUYQASA-N 2 2 301.434 3.584 20 0 DHADLP COc1cccc2c(N3CCC(n4cc[nH+]c4)CC3)cc(C)[nH+]c12 ZINC000123574822 334734246 /nfs/dbraw/zinc/73/42/46/334734246.db2.gz GZYHODHGZVSINI-UHFFFAOYSA-N 2 2 322.412 3.590 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCC(C)(C)C(=O)OC(C)(C)C ZINC000425354620 334836655 /nfs/dbraw/zinc/83/66/55/334836655.db2.gz NHSPRJQCTGEVAY-UHFFFAOYSA-N 2 2 320.477 3.670 20 0 DHADLP Cc1ccc(-c2ccc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)o2)cc1 ZINC000126845015 334868275 /nfs/dbraw/zinc/86/82/75/334868275.db2.gz OSMDCDHCSDIHJP-MRXNPFEDSA-N 2 2 309.413 3.877 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(C(F)(F)F)ccc1F ZINC000343620138 335182086 /nfs/dbraw/zinc/18/20/86/335182086.db2.gz LJGKOULBUGNTQB-UHFFFAOYSA-N 2 2 318.358 3.762 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C(F)(F)F)ccc1F ZINC000343620138 335182087 /nfs/dbraw/zinc/18/20/87/335182087.db2.gz LJGKOULBUGNTQB-UHFFFAOYSA-N 2 2 318.358 3.762 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000343826573 335195956 /nfs/dbraw/zinc/19/59/56/335195956.db2.gz DNRWYKBSECMHCK-NSHDSACASA-N 2 2 321.412 3.689 20 0 DHADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C1(CC)CC ZINC000344098372 335218043 /nfs/dbraw/zinc/21/80/43/335218043.db2.gz JYJQVLOPXWIHRI-IXDOHACOSA-N 2 2 319.493 3.642 20 0 DHADLP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C1(C)C ZINC000344120509 335219323 /nfs/dbraw/zinc/21/93/23/335219323.db2.gz ZWDCZJSQCGZUOQ-YESZJQIVSA-N 2 2 319.493 3.642 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H]3CSc4ccccc43)c2)c[nH+]1 ZINC000344218006 335229640 /nfs/dbraw/zinc/22/96/40/335229640.db2.gz WYCFEERFGVGUCA-OAHLLOKOSA-N 2 2 313.451 3.870 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000344309360 335239461 /nfs/dbraw/zinc/23/94/61/335239461.db2.gz UGUYLLYKLXDLIW-CJNGLKHVSA-N 2 2 319.474 3.617 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](C)CCc1ccccc1)CCC2 ZINC000344542057 335260410 /nfs/dbraw/zinc/26/04/10/335260410.db2.gz OHAXEBRPXGJQAD-VQIMIIECSA-N 2 2 311.473 3.927 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCC2CCCC2)CC1 ZINC000344737218 335272338 /nfs/dbraw/zinc/27/23/38/335272338.db2.gz BESFMLUGCXVLLH-INIZCTEOSA-N 2 2 310.526 3.824 20 0 DHADLP CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H]1CCCCO1 ZINC000346134991 335379936 /nfs/dbraw/zinc/37/99/36/335379936.db2.gz FRDZRYMNIWOFEC-MRXNPFEDSA-N 2 2 319.474 3.715 20 0 DHADLP CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H]1CCCCO1 ZINC000346134991 335379937 /nfs/dbraw/zinc/37/99/37/335379937.db2.gz FRDZRYMNIWOFEC-MRXNPFEDSA-N 2 2 319.474 3.715 20 0 DHADLP C[N@H+](CCc1cccs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346164301 335383917 /nfs/dbraw/zinc/38/39/17/335383917.db2.gz IGWKVGBGBYYNIU-UHFFFAOYSA-N 2 2 303.456 3.670 20 0 DHADLP C[N@@H+](CCc1cccs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346164301 335383918 /nfs/dbraw/zinc/38/39/18/335383918.db2.gz IGWKVGBGBYYNIU-UHFFFAOYSA-N 2 2 303.456 3.670 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000346270301 335396511 /nfs/dbraw/zinc/39/65/11/335396511.db2.gz CYSYRXUEUAEEBL-GOSISDBHSA-N 2 2 303.425 3.611 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000346270301 335396512 /nfs/dbraw/zinc/39/65/12/335396512.db2.gz CYSYRXUEUAEEBL-GOSISDBHSA-N 2 2 303.425 3.611 20 0 DHADLP C[C@H]1CC[C@]2(CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)C1 ZINC000346353739 335397484 /nfs/dbraw/zinc/39/74/84/335397484.db2.gz MTJLZARUVUQWTH-YOEHRIQHSA-N 2 2 301.459 3.946 20 0 DHADLP C[C@H]1CC[C@]2(CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)C1 ZINC000346353739 335397485 /nfs/dbraw/zinc/39/74/85/335397485.db2.gz MTJLZARUVUQWTH-YOEHRIQHSA-N 2 2 301.459 3.946 20 0 DHADLP CO[C@H](C[NH2+]CCCc1c[nH+]ccc1C)c1ccc(Cl)cc1 ZINC000348049648 335548144 /nfs/dbraw/zinc/54/81/44/335548144.db2.gz XPMFSYLMTRXCMO-GOSISDBHSA-N 2 2 318.848 3.953 20 0 DHADLP COc1c(C)c[nH+]c(CN(C)c2cc(C)[nH+]c(C(C)C)n2)c1C ZINC000348353097 335579911 /nfs/dbraw/zinc/57/99/11/335579911.db2.gz PEHZHXGCXPHZLD-UHFFFAOYSA-N 2 2 314.433 3.565 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+]Cc3c[nH+]cn3CC)oc21 ZINC000417850833 335643698 /nfs/dbraw/zinc/64/36/98/335643698.db2.gz FNZOSUBQXDTIDZ-ZDUSSCGKSA-N 2 2 313.401 3.899 20 0 DHADLP Cn1c[nH+]cc1CCC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000519649784 335885582 /nfs/dbraw/zinc/88/55/82/335885582.db2.gz VHOMJKHWDVXNIN-UHFFFAOYSA-N 2 2 313.420 3.671 20 0 DHADLP Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532249084 335926559 /nfs/dbraw/zinc/92/65/59/335926559.db2.gz JIBRQKKWQWHFJF-JXFKEZNVSA-N 2 2 321.424 3.565 20 0 DHADLP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2noc(C)n2)CC1)CC(C)C ZINC000351582792 336046817 /nfs/dbraw/zinc/04/68/17/336046817.db2.gz RAUZPBMRHMAHAN-HNNXBMFYSA-N 2 2 322.497 3.519 20 0 DHADLP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2noc(C)n2)CC1)CC(C)C ZINC000351582792 336046819 /nfs/dbraw/zinc/04/68/19/336046819.db2.gz RAUZPBMRHMAHAN-HNNXBMFYSA-N 2 2 322.497 3.519 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000351849399 336073251 /nfs/dbraw/zinc/07/32/51/336073251.db2.gz GPDKLGAFCYZCNZ-WCQYABFASA-N 2 2 321.877 3.633 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000351849399 336073253 /nfs/dbraw/zinc/07/32/53/336073253.db2.gz GPDKLGAFCYZCNZ-WCQYABFASA-N 2 2 321.877 3.633 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331514617 336138866 /nfs/dbraw/zinc/13/88/66/336138866.db2.gz YCJSFUUQGYBLOB-DZGCQCFKSA-N 2 2 315.417 3.581 20 0 DHADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331514617 336138868 /nfs/dbraw/zinc/13/88/68/336138868.db2.gz YCJSFUUQGYBLOB-DZGCQCFKSA-N 2 2 315.417 3.581 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2cccs2)C2CC2)s1 ZINC000352245257 336206400 /nfs/dbraw/zinc/20/64/00/336206400.db2.gz FWFBRTOTXMTVPD-HNNXBMFYSA-N 2 2 307.488 3.507 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2cccs2)C2CC2)s1 ZINC000352245258 336206443 /nfs/dbraw/zinc/20/64/43/336206443.db2.gz FWFBRTOTXMTVPD-OAHLLOKOSA-N 2 2 307.488 3.507 20 0 DHADLP CCc1ccc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000352250491 336206773 /nfs/dbraw/zinc/20/67/73/336206773.db2.gz HUKQPNPISYLKDB-KRWDZBQOSA-N 2 2 315.486 3.632 20 0 DHADLP CCc1ccc([C@H](C[NH2+]Cc2ccc(CC)nc2)[NH+](C)C)cc1 ZINC000352250539 336206835 /nfs/dbraw/zinc/20/68/35/336206835.db2.gz ISEVOJLHWSAVNJ-FQEVSTJZSA-N 2 2 311.473 3.599 20 0 DHADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000352251394 336206911 /nfs/dbraw/zinc/20/69/11/336206911.db2.gz QSCRGNVXSWIZRY-YJBOKZPZSA-N 2 2 313.445 3.673 20 0 DHADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCn1cc[nH+]c1C ZINC000352251394 336206912 /nfs/dbraw/zinc/20/69/12/336206912.db2.gz QSCRGNVXSWIZRY-YJBOKZPZSA-N 2 2 313.445 3.673 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)[nH]1 ZINC000352338567 336213201 /nfs/dbraw/zinc/21/32/01/336213201.db2.gz SZKAXFLEFCRHSX-HNNXBMFYSA-N 2 2 324.453 3.913 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3csc(-c4ccccc4)n3)C2)[nH]1 ZINC000352338567 336213202 /nfs/dbraw/zinc/21/32/02/336213202.db2.gz SZKAXFLEFCRHSX-HNNXBMFYSA-N 2 2 324.453 3.913 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000352487534 336221553 /nfs/dbraw/zinc/22/15/53/336221553.db2.gz FYKPNYLKNQFMMB-AWEZNQCLSA-N 2 2 319.449 3.653 20 0 DHADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000352487534 336221554 /nfs/dbraw/zinc/22/15/54/336221554.db2.gz FYKPNYLKNQFMMB-AWEZNQCLSA-N 2 2 319.449 3.653 20 0 DHADLP Fc1ccc(C[N@@H+](CCn2cc[nH+]c2)CC2CC2)c(Cl)c1 ZINC000352549323 336223971 /nfs/dbraw/zinc/22/39/71/336223971.db2.gz ARKSQGFWYWKLDO-UHFFFAOYSA-N 2 2 307.800 3.588 20 0 DHADLP Fc1ccc(C[N@H+](CCn2cc[nH+]c2)CC2CC2)c(Cl)c1 ZINC000352549323 336223970 /nfs/dbraw/zinc/22/39/70/336223970.db2.gz ARKSQGFWYWKLDO-UHFFFAOYSA-N 2 2 307.800 3.588 20 0 DHADLP FC(F)(F)c1ccccc1C[N@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000352570617 336225079 /nfs/dbraw/zinc/22/50/79/336225079.db2.gz JUWIQUFQDORHEY-UHFFFAOYSA-N 2 2 323.362 3.814 20 0 DHADLP FC(F)(F)c1ccccc1C[N@@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000352570617 336225080 /nfs/dbraw/zinc/22/50/80/336225080.db2.gz JUWIQUFQDORHEY-UHFFFAOYSA-N 2 2 323.362 3.814 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000324572929 336228947 /nfs/dbraw/zinc/22/89/47/336228947.db2.gz VNUFBVVZLLZKHX-BEFAXECRSA-N 2 2 307.441 3.889 20 0 DHADLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352743135 336234274 /nfs/dbraw/zinc/23/42/74/336234274.db2.gz SSBKHLBZUMCYJP-UGSOOPFHSA-N 2 2 315.486 3.618 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2cccc(Cl)c2)s1 ZINC000352756075 336235165 /nfs/dbraw/zinc/23/51/65/336235165.db2.gz BAFGMYPIFBPMNF-UHFFFAOYSA-N 2 2 323.893 3.883 20 0 DHADLP Cc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1F ZINC000352775670 336235745 /nfs/dbraw/zinc/23/57/45/336235745.db2.gz RZBMQACMZFGEAK-GFCCVEGCSA-N 2 2 307.438 3.503 20 0 DHADLP Cc1ccc([C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C2CC2)cc1 ZINC000352779956 336236066 /nfs/dbraw/zinc/23/60/66/336236066.db2.gz MXCFQHRACSVVRS-SFHVURJKSA-N 2 2 315.486 3.754 20 0 DHADLP Fc1ccc(/C=C/C[NH2+]CCCCNc2cccc[nH+]2)cc1F ZINC000352812576 336246273 /nfs/dbraw/zinc/24/62/73/336246273.db2.gz GKYAWSLALICKFG-AATRIKPKSA-N 2 2 317.383 3.855 20 0 DHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000532503833 336252494 /nfs/dbraw/zinc/25/24/94/336252494.db2.gz PBPPRNNXMKMUIL-SZMVWBNQSA-N 2 2 314.498 3.880 20 0 DHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000532503833 336252495 /nfs/dbraw/zinc/25/24/95/336252495.db2.gz PBPPRNNXMKMUIL-SZMVWBNQSA-N 2 2 314.498 3.880 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3c1cccc3Cl)CCC2 ZINC000532537103 336255126 /nfs/dbraw/zinc/25/51/26/336255126.db2.gz XXVCWVQSWBISJO-CXAGYDPISA-N 2 2 315.848 3.999 20 0 DHADLP Cc1nc2ccccc2n1CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301079968 336288855 /nfs/dbraw/zinc/28/88/55/336288855.db2.gz RPVLLIJCZNENQP-UHFFFAOYSA-N 2 2 309.417 3.679 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000301079968 336288856 /nfs/dbraw/zinc/28/88/56/336288856.db2.gz RPVLLIJCZNENQP-UHFFFAOYSA-N 2 2 309.417 3.679 20 0 DHADLP Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301111188 336290473 /nfs/dbraw/zinc/29/04/73/336290473.db2.gz VQSOXBBPQMDBNB-INIZCTEOSA-N 2 2 316.424 3.762 20 0 DHADLP Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301111189 336290524 /nfs/dbraw/zinc/29/05/24/336290524.db2.gz VQSOXBBPQMDBNB-MRXNPFEDSA-N 2 2 316.424 3.762 20 0 DHADLP CC(C)c1nc(NC2CC[NH+](CC3CCCC3)CC2)cc[nH+]1 ZINC000301224312 336295604 /nfs/dbraw/zinc/29/56/04/336295604.db2.gz CPEOIOYSNDPPSO-UHFFFAOYSA-N 2 2 302.466 3.667 20 0 DHADLP c1cc(NC2CC[NH+](CC3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000301248901 336296776 /nfs/dbraw/zinc/29/67/76/336296776.db2.gz PACOBLXFBKEQJF-UHFFFAOYSA-N 2 2 314.477 3.811 20 0 DHADLP Cc1cc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)nc[nH+]1 ZINC000301279469 336298431 /nfs/dbraw/zinc/29/84/31/336298431.db2.gz XJHWWECMOKHEPV-UHFFFAOYSA-N 2 2 310.445 3.629 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@H+](C)Cc2ccco2)nc[nH+]1 ZINC000301441660 336307084 /nfs/dbraw/zinc/30/70/84/336307084.db2.gz UNFNKLQOQBJKSL-UHFFFAOYSA-N 2 2 322.412 3.622 20 0 DHADLP Cc1cc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)nc[nH+]1 ZINC000301441660 336307085 /nfs/dbraw/zinc/30/70/85/336307085.db2.gz UNFNKLQOQBJKSL-UHFFFAOYSA-N 2 2 322.412 3.622 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301500970 336310776 /nfs/dbraw/zinc/31/07/76/336310776.db2.gz ATLCVDGNGBREGQ-YJBOKZPZSA-N 2 2 322.456 3.677 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301500970 336310777 /nfs/dbraw/zinc/31/07/77/336310777.db2.gz ATLCVDGNGBREGQ-YJBOKZPZSA-N 2 2 322.456 3.677 20 0 DHADLP Clc1c[nH+]ccc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000301504354 336311051 /nfs/dbraw/zinc/31/10/51/336311051.db2.gz CBZBHRKRAJJNBL-HNNXBMFYSA-N 2 2 305.809 3.967 20 0 DHADLP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2cccc(F)c2[nH+]1 ZINC000301700101 336324299 /nfs/dbraw/zinc/32/42/99/336324299.db2.gz FJPPGMDIRKTPFU-WMLDXEAASA-N 2 2 313.420 3.603 20 0 DHADLP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2cccc(F)c2[nH+]1 ZINC000301700101 336324300 /nfs/dbraw/zinc/32/43/00/336324300.db2.gz FJPPGMDIRKTPFU-WMLDXEAASA-N 2 2 313.420 3.603 20 0 DHADLP Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c2cc(F)ccc2[nH+]1 ZINC000301787572 336329739 /nfs/dbraw/zinc/32/97/39/336329739.db2.gz XDAPQUOJVCNXIF-HNNXBMFYSA-N 2 2 322.387 3.768 20 0 DHADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000301833304 336332940 /nfs/dbraw/zinc/33/29/40/336332940.db2.gz UUMCZHVHUGOHIN-HNNXBMFYSA-N 2 2 304.482 3.501 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000301833304 336332941 /nfs/dbraw/zinc/33/29/41/336332941.db2.gz UUMCZHVHUGOHIN-HNNXBMFYSA-N 2 2 304.482 3.501 20 0 DHADLP C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301898500 336337078 /nfs/dbraw/zinc/33/70/78/336337078.db2.gz WXIRLUMMEOLATR-INIZCTEOSA-N 2 2 320.440 3.664 20 0 DHADLP C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301898500 336337079 /nfs/dbraw/zinc/33/70/79/336337079.db2.gz WXIRLUMMEOLATR-INIZCTEOSA-N 2 2 320.440 3.664 20 0 DHADLP Cc1sccc1C[N@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000353006877 336381885 /nfs/dbraw/zinc/38/18/85/336381885.db2.gz ILRGEWWZDYRAOW-MSOLQXFVSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1sccc1C[N@@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000353006877 336381886 /nfs/dbraw/zinc/38/18/86/336381886.db2.gz ILRGEWWZDYRAOW-MSOLQXFVSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1sccc1C[NH+](C)C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000353006877 336381887 /nfs/dbraw/zinc/38/18/87/336381887.db2.gz ILRGEWWZDYRAOW-MSOLQXFVSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1sccc1C[NH+](C)C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000353006877 336381888 /nfs/dbraw/zinc/38/18/88/336381888.db2.gz ILRGEWWZDYRAOW-MSOLQXFVSA-N 2 2 315.486 3.576 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(C(F)F)CCCCC1 ZINC000353041386 336388215 /nfs/dbraw/zinc/38/82/15/336388215.db2.gz XSDCSRYONRYRIU-UHFFFAOYSA-N 2 2 320.387 3.633 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000353050011 336391633 /nfs/dbraw/zinc/39/16/33/336391633.db2.gz UPQUPGYLJMAUGE-ZFWWWQNUSA-N 2 2 312.379 3.582 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CC2(C(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000353050011 336391634 /nfs/dbraw/zinc/39/16/34/336391634.db2.gz UPQUPGYLJMAUGE-ZFWWWQNUSA-N 2 2 312.379 3.582 20 0 DHADLP Cc1ccc([C@@H](CNc2cc[nH+]c(C3CC3)n2)[NH+]2CCCC2)o1 ZINC000110474160 336396662 /nfs/dbraw/zinc/39/66/62/336396662.db2.gz HCRXUMMBGPZLCY-OAHLLOKOSA-N 2 2 312.417 3.504 20 0 DHADLP Cc1cc2cc(C[NH2+]Cc3c[nH+]c4ccc(C)cn34)ccc2[nH]1 ZINC000353126651 336403757 /nfs/dbraw/zinc/40/37/57/336403757.db2.gz NERLVQOSYIYGNA-UHFFFAOYSA-N 2 2 304.397 3.722 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000353594079 336427494 /nfs/dbraw/zinc/42/74/94/336427494.db2.gz FQCRXTXFSYOEAT-HNNXBMFYSA-N 2 2 309.388 3.921 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(c3ccccc3)C2)c[nH+]1 ZINC000354456836 336471332 /nfs/dbraw/zinc/47/13/32/336471332.db2.gz HTXWQUJEODRKOA-LJQANCHMSA-N 2 2 309.457 3.581 20 0 DHADLP COC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(C)C ZINC000358351871 336625644 /nfs/dbraw/zinc/62/56/44/336625644.db2.gz LVUCJNGZOYEDCQ-OALUTQOASA-N 2 2 315.461 3.502 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000360055058 336699597 /nfs/dbraw/zinc/69/95/97/336699597.db2.gz OJVBYNWDEUVPEO-QMTHXVAHSA-N 2 2 310.228 3.856 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000361392931 336755107 /nfs/dbraw/zinc/75/51/07/336755107.db2.gz VEBACVIZKVEAKP-KXBFYZLASA-N 2 2 315.461 3.672 20 0 DHADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)ccn1 ZINC000361768843 336772401 /nfs/dbraw/zinc/77/24/01/336772401.db2.gz RXOJVYZCJHIKBI-WSTZPKSXSA-N 2 2 313.489 3.604 20 0 DHADLP CCC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(OC)cc1 ZINC000361967385 336780270 /nfs/dbraw/zinc/78/02/70/336780270.db2.gz SSYBDTFHLQTEAS-ZWKOTPCHSA-N 2 2 322.518 3.563 20 0 DHADLP CCc1[nH+]ccn1C[C@@H]1CCCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000367841617 336830856 /nfs/dbraw/zinc/83/08/56/336830856.db2.gz GSYRAQNZSKONTN-ZDUSSCGKSA-N 2 2 324.350 3.528 20 0 DHADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccccn2)CC1 ZINC000370043466 336876444 /nfs/dbraw/zinc/87/64/44/336876444.db2.gz RSLODERLMQMDRQ-UHFFFAOYSA-N 2 2 306.413 3.577 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH+]1CCC([NH2+]C3CCCC3)CC1)CC2 ZINC000370083169 336877341 /nfs/dbraw/zinc/87/73/41/336877341.db2.gz NZVOVDKOKUOXMT-IBGZPJMESA-N 2 2 302.437 3.810 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(OC)cc1 ZINC000370681628 336891053 /nfs/dbraw/zinc/89/10/53/336891053.db2.gz IOWGFJCLKPMSTA-WMZOPIPTSA-N 2 2 313.445 3.818 20 0 DHADLP Cc1ccc2c(c1)[nH]cc2C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000371385873 336902146 /nfs/dbraw/zinc/90/21/46/336902146.db2.gz UPUMQEUFLXVTOB-UHFFFAOYSA-N 2 2 308.429 3.552 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)CCC2 ZINC000372951062 336943589 /nfs/dbraw/zinc/94/35/89/336943589.db2.gz QXIRFJZBEUGXIJ-CQSZACIVSA-N 2 2 323.362 3.878 20 0 DHADLP c1cn(CCCC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)c[nH+]1 ZINC000390937142 336949480 /nfs/dbraw/zinc/94/94/80/336949480.db2.gz JSOLFDBTJOXOHG-GOSISDBHSA-N 2 2 308.429 3.812 20 0 DHADLP CCC[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccsc1 ZINC000373675885 336968404 /nfs/dbraw/zinc/96/84/04/336968404.db2.gz UANFQOGAQTXHMS-MRXNPFEDSA-N 2 2 312.442 3.960 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)c[nH+]c12 ZINC000374474670 336990027 /nfs/dbraw/zinc/99/00/27/336990027.db2.gz XTJHJBUKWCXNKB-HKUYNNGSSA-N 2 2 321.424 3.510 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CC(C)(C)Cc3occc31)CCC2 ZINC000374573860 336992659 /nfs/dbraw/zinc/99/26/59/336992659.db2.gz DTHYZLYOSNWZHN-ZBFHGGJFSA-N 2 2 313.445 3.965 20 0 DHADLP CC/C=C/CC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375485656 337011998 /nfs/dbraw/zinc/01/19/98/337011998.db2.gz HITAEIZEWQKSQD-AQVLZCAOSA-N 2 2 307.507 3.608 20 0 DHADLP CC/C=C/CC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375485656 337011999 /nfs/dbraw/zinc/01/19/99/337011999.db2.gz HITAEIZEWQKSQD-AQVLZCAOSA-N 2 2 307.507 3.608 20 0 DHADLP C[C@H]1C[C@@H](Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)CC[N@@H+]1C ZINC000376168786 337028851 /nfs/dbraw/zinc/02/88/51/337028851.db2.gz YCCDTDWFINMKGF-YJBOKZPZSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@H]1C[C@@H](Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)CC[N@H+]1C ZINC000376168786 337028852 /nfs/dbraw/zinc/02/88/52/337028852.db2.gz YCCDTDWFINMKGF-YJBOKZPZSA-N 2 2 324.472 3.781 20 0 DHADLP CC(C)(C)c1ncc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000377232248 337048984 /nfs/dbraw/zinc/04/89/84/337048984.db2.gz NJPAWUKLQFTSJF-UHFFFAOYSA-N 2 2 304.463 3.543 20 0 DHADLP CC(C)(C)c1ncc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000377232248 337048985 /nfs/dbraw/zinc/04/89/85/337048985.db2.gz NJPAWUKLQFTSJF-UHFFFAOYSA-N 2 2 304.463 3.543 20 0 DHADLP C[N@H+](CCC1CCCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377369835 337051302 /nfs/dbraw/zinc/05/13/02/337051302.db2.gz UUUWVHWICBZQCS-OALUTQOASA-N 2 2 301.478 3.587 20 0 DHADLP C[N@@H+](CCC1CCCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377369835 337051303 /nfs/dbraw/zinc/05/13/03/337051303.db2.gz UUUWVHWICBZQCS-OALUTQOASA-N 2 2 301.478 3.587 20 0 DHADLP C[NH+](CCC1CCCC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377369835 337051304 /nfs/dbraw/zinc/05/13/04/337051304.db2.gz UUUWVHWICBZQCS-OALUTQOASA-N 2 2 301.478 3.587 20 0 DHADLP C[NH+](CCC1CCCC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377369835 337051305 /nfs/dbraw/zinc/05/13/05/337051305.db2.gz UUUWVHWICBZQCS-OALUTQOASA-N 2 2 301.478 3.587 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377408078 337052244 /nfs/dbraw/zinc/05/22/44/337052244.db2.gz DEXQQRYBZHAKGA-WCQYABFASA-N 2 2 319.836 3.670 20 0 DHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377408078 337052245 /nfs/dbraw/zinc/05/22/45/337052245.db2.gz DEXQQRYBZHAKGA-WCQYABFASA-N 2 2 319.836 3.670 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000377411675 337052279 /nfs/dbraw/zinc/05/22/79/337052279.db2.gz LRQYUJMNOHHTCO-ZWNOBZJWSA-N 2 2 309.335 3.637 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000377411675 337052280 /nfs/dbraw/zinc/05/22/80/337052280.db2.gz LRQYUJMNOHHTCO-ZWNOBZJWSA-N 2 2 309.335 3.637 20 0 DHADLP COc1cc([C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1F ZINC000377549785 337054872 /nfs/dbraw/zinc/05/48/72/337054872.db2.gz MPTUSVDNBPTFHK-BBRMVZONSA-N 2 2 317.408 3.565 20 0 DHADLP COc1cc([C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)ccc1F ZINC000377549785 337054873 /nfs/dbraw/zinc/05/48/73/337054873.db2.gz MPTUSVDNBPTFHK-BBRMVZONSA-N 2 2 317.408 3.565 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(c2nccs2)CC1 ZINC000377659699 337057887 /nfs/dbraw/zinc/05/78/87/337057887.db2.gz PJCOHTYDMHSFRQ-UHFFFAOYSA-N 2 2 301.459 3.659 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC000377711516 337059393 /nfs/dbraw/zinc/05/93/93/337059393.db2.gz ZBZRKAXLDHSSDO-QGZVFWFLSA-N 2 2 315.465 3.621 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC000377711516 337059394 /nfs/dbraw/zinc/05/93/94/337059394.db2.gz ZBZRKAXLDHSSDO-QGZVFWFLSA-N 2 2 315.465 3.621 20 0 DHADLP COc1c(C)cc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000377798661 337061330 /nfs/dbraw/zinc/06/13/30/337061330.db2.gz LFBWXRKCYVZGBG-AAEUAGOBSA-N 2 2 319.836 3.588 20 0 DHADLP COc1c(C)cc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000377798661 337061331 /nfs/dbraw/zinc/06/13/31/337061331.db2.gz LFBWXRKCYVZGBG-AAEUAGOBSA-N 2 2 319.836 3.588 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccn1CCC(C)C)CCC2 ZINC000377837428 337062297 /nfs/dbraw/zinc/06/22/97/337062297.db2.gz MQADNDRGNXVPFA-KRWDZBQOSA-N 2 2 314.477 3.706 20 0 DHADLP CSc1ccc([C@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000377903583 337063632 /nfs/dbraw/zinc/06/36/32/337063632.db2.gz FVRUMPDYDSCMLU-GXTWGEPZSA-N 2 2 319.449 3.832 20 0 DHADLP CSc1ccc([C@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000377903583 337063633 /nfs/dbraw/zinc/06/36/33/337063633.db2.gz FVRUMPDYDSCMLU-GXTWGEPZSA-N 2 2 319.449 3.832 20 0 DHADLP C[N@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000377904437 337063688 /nfs/dbraw/zinc/06/36/88/337063688.db2.gz FQZBPQZLUHSHSX-SFHVURJKSA-N 2 2 301.478 3.557 20 0 DHADLP C[N@@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000377904437 337063689 /nfs/dbraw/zinc/06/36/89/337063689.db2.gz FQZBPQZLUHSHSX-SFHVURJKSA-N 2 2 301.478 3.557 20 0 DHADLP Cc1[nH]c(-c2cccc(NC(=O)CCCCCC[NH3+])c2)[nH+]c1C ZINC000378213246 337068357 /nfs/dbraw/zinc/06/83/57/337068357.db2.gz YSPZTFCBZNDHAX-UHFFFAOYSA-N 2 2 314.433 3.541 20 0 DHADLP c1[nH]c(C2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)c[nH+]1 ZINC000378336642 337070233 /nfs/dbraw/zinc/07/02/33/337070233.db2.gz XAKNRMCGLLKLOK-UHFFFAOYSA-N 2 2 316.474 3.903 20 0 DHADLP c1[nH]cc(C2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)[nH+]1 ZINC000378336642 337070234 /nfs/dbraw/zinc/07/02/34/337070234.db2.gz XAKNRMCGLLKLOK-UHFFFAOYSA-N 2 2 316.474 3.903 20 0 DHADLP c1cn(CC[NH2+][C@H]2CCCOc3c4ccccc4ccc32)c[nH+]1 ZINC000360080475 337085241 /nfs/dbraw/zinc/08/52/41/337085241.db2.gz XJINIJVJSNXCMH-SFHVURJKSA-N 2 2 307.397 3.540 20 0 DHADLP Fc1cccc(C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)c2cccc(F)c2)c1 ZINC000171133507 337086857 /nfs/dbraw/zinc/08/68/57/337086857.db2.gz TXURZCGEZKVJEF-GOSISDBHSA-N 2 2 313.351 3.762 20 0 DHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000171503221 337087635 /nfs/dbraw/zinc/08/76/35/337087635.db2.gz RMTUKODZLPTPRF-UHFFFAOYSA-N 2 2 309.866 3.590 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccncc1 ZINC000173966880 337137974 /nfs/dbraw/zinc/13/79/74/337137974.db2.gz AMWNBCJHWRRMKE-OAHLLOKOSA-N 2 2 313.420 3.536 20 0 DHADLP Cc1nc(NCc2ccccc2C[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000174687394 337143127 /nfs/dbraw/zinc/14/31/27/337143127.db2.gz MLEAWOMHOPZLBH-UHFFFAOYSA-N 2 2 310.445 3.629 20 0 DHADLP CCn1cc[nH+]c1CNc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000176971240 337153909 /nfs/dbraw/zinc/15/39/09/337153909.db2.gz WIOBXYJIHRJJGU-HNNXBMFYSA-N 2 2 312.461 3.875 20 0 DHADLP CCn1cc[nH+]c1CNc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000176971240 337153910 /nfs/dbraw/zinc/15/39/10/337153910.db2.gz WIOBXYJIHRJJGU-HNNXBMFYSA-N 2 2 312.461 3.875 20 0 DHADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000176993146 337154067 /nfs/dbraw/zinc/15/40/67/337154067.db2.gz KTQCRJZLUQEXSG-KSSFIOAISA-N 2 2 302.462 3.900 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)cc1 ZINC000178510319 337163342 /nfs/dbraw/zinc/16/33/42/337163342.db2.gz TUNRMGNSIPILPZ-HNNXBMFYSA-N 2 2 323.444 3.809 20 0 DHADLP Fc1ccccc1NC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180399122 337174015 /nfs/dbraw/zinc/17/40/15/337174015.db2.gz IKYSZJDRTVKZIK-UHFFFAOYSA-N 2 2 324.403 3.550 20 0 DHADLP c1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccn2)cc1 ZINC000180728313 337177491 /nfs/dbraw/zinc/17/74/91/337177491.db2.gz RVLSAQWMQXKMJF-FQEVSTJZSA-N 2 2 318.424 3.658 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000182089057 337184516 /nfs/dbraw/zinc/18/45/16/337184516.db2.gz MXAYZMYKPSSTSC-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000182089057 337184517 /nfs/dbraw/zinc/18/45/17/337184517.db2.gz MXAYZMYKPSSTSC-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cc1cc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC000182816821 337188431 /nfs/dbraw/zinc/18/84/31/337188431.db2.gz MBAABAFTHYZQMH-GDBMZVCRSA-N 2 2 314.477 3.727 20 0 DHADLP Cc1cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC000182816821 337188432 /nfs/dbraw/zinc/18/84/32/337188432.db2.gz MBAABAFTHYZQMH-GDBMZVCRSA-N 2 2 314.477 3.727 20 0 DHADLP CC(C)c1cnc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000183128397 337190010 /nfs/dbraw/zinc/19/00/10/337190010.db2.gz OVKKISAICFIFEH-ZBFHGGJFSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1cnc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000183128397 337190011 /nfs/dbraw/zinc/19/00/11/337190011.db2.gz OVKKISAICFIFEH-ZBFHGGJFSA-N 2 2 319.518 3.715 20 0 DHADLP CC(C)c1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000183128397 337190013 /nfs/dbraw/zinc/19/00/13/337190013.db2.gz OVKKISAICFIFEH-ZBFHGGJFSA-N 2 2 319.518 3.715 20 0 DHADLP C[C@@H]1C[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC[N@@H+]1C ZINC000182883777 337190685 /nfs/dbraw/zinc/19/06/85/337190685.db2.gz DMOWVSQAZGPVQQ-QAPCUYQASA-N 2 2 324.472 3.781 20 0 DHADLP C[C@@H]1C[C@@H](Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC[N@H+]1C ZINC000182883777 337190686 /nfs/dbraw/zinc/19/06/86/337190686.db2.gz DMOWVSQAZGPVQQ-QAPCUYQASA-N 2 2 324.472 3.781 20 0 DHADLP C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183999425 337194394 /nfs/dbraw/zinc/19/43/94/337194394.db2.gz KQVYJEAETPKFDB-APWZRJJASA-N 2 2 313.445 3.872 20 0 DHADLP Cc1cc(Cl)cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000395125117 337208095 /nfs/dbraw/zinc/20/80/95/337208095.db2.gz BLNPUYWISIUEAX-UHFFFAOYSA-N 2 2 315.848 3.802 20 0 DHADLP CC(C)CSCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000582978613 337222333 /nfs/dbraw/zinc/22/23/33/337222333.db2.gz OAYIDMQMVZJPPV-MSOLQXFVSA-N 2 2 306.519 3.801 20 0 DHADLP CC(C)CSCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000582978613 337222334 /nfs/dbraw/zinc/22/23/34/337222334.db2.gz OAYIDMQMVZJPPV-MSOLQXFVSA-N 2 2 306.519 3.801 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCSCC1 ZINC000186991938 337262158 /nfs/dbraw/zinc/26/21/58/337262158.db2.gz VCBYZADCMNKQCB-OAHLLOKOSA-N 2 2 315.486 3.553 20 0 DHADLP CC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccc(F)c1 ZINC000187754261 337268102 /nfs/dbraw/zinc/26/81/02/337268102.db2.gz HUBJGVZOEVAURR-KRWDZBQOSA-N 2 2 310.376 3.647 20 0 DHADLP C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000188026972 337270164 /nfs/dbraw/zinc/27/01/64/337270164.db2.gz MGNLLJIQRXDSGT-WMZOPIPTSA-N 2 2 301.478 3.604 20 0 DHADLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)nc1 ZINC000188724903 337274540 /nfs/dbraw/zinc/27/45/40/337274540.db2.gz SFKBSTCCNTXJPP-UHFFFAOYSA-N 2 2 321.468 3.713 20 0 DHADLP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000188788132 337275111 /nfs/dbraw/zinc/27/51/11/337275111.db2.gz CLZJCYKDIVJHFY-AILXTGBUSA-N 2 2 316.489 3.617 20 0 DHADLP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000188788132 337275112 /nfs/dbraw/zinc/27/51/12/337275112.db2.gz CLZJCYKDIVJHFY-AILXTGBUSA-N 2 2 316.489 3.617 20 0 DHADLP Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000188882017 337275882 /nfs/dbraw/zinc/27/58/82/337275882.db2.gz CEYWMUDRJTVTOV-LJQANCHMSA-N 2 2 319.408 3.794 20 0 DHADLP c1ccc(C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000321644154 337281184 /nfs/dbraw/zinc/28/11/84/337281184.db2.gz WUUXIQOSNUPDBQ-PZJWPPBQSA-N 2 2 306.453 3.797 20 0 DHADLP c1ccc(C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000321644154 337281185 /nfs/dbraw/zinc/28/11/85/337281185.db2.gz WUUXIQOSNUPDBQ-PZJWPPBQSA-N 2 2 306.453 3.797 20 0 DHADLP CCN(C)c1ccc(CNc2cc(C[NH+](C)C)ccc2C)c[nH+]1 ZINC000191441726 337297068 /nfs/dbraw/zinc/29/70/68/337297068.db2.gz UAXKPTHGUNMSQP-UHFFFAOYSA-N 2 2 312.461 3.520 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000192133996 337303107 /nfs/dbraw/zinc/30/31/07/337303107.db2.gz MDQVJZUENHZYTF-FQEVSTJZSA-N 2 2 318.424 3.913 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000192133996 337303108 /nfs/dbraw/zinc/30/31/08/337303108.db2.gz MDQVJZUENHZYTF-FQEVSTJZSA-N 2 2 318.424 3.913 20 0 DHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(F)(F)F ZINC000398049696 337304979 /nfs/dbraw/zinc/30/49/79/337304979.db2.gz XCRRSLBQRUJFRG-HNNXBMFYSA-N 2 2 302.384 3.685 20 0 DHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(F)(F)F ZINC000398049696 337304980 /nfs/dbraw/zinc/30/49/80/337304980.db2.gz XCRRSLBQRUJFRG-HNNXBMFYSA-N 2 2 302.384 3.685 20 0 DHADLP COc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1F ZINC000192692164 337306899 /nfs/dbraw/zinc/30/68/99/337306899.db2.gz WBQATCKUQHBZTC-UHFFFAOYSA-N 2 2 320.452 3.721 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C[C@H](C)O1 ZINC000583852555 337342885 /nfs/dbraw/zinc/34/28/85/337342885.db2.gz FAZFXVOZRAOYLP-WDNDVIMCSA-N 2 2 319.836 3.571 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C2 ZINC000112540110 337390617 /nfs/dbraw/zinc/39/06/17/337390617.db2.gz WVGKKJMYGMYPEF-WFASDCNBSA-N 2 2 323.362 3.876 20 0 DHADLP [NH3+]CCC[N@H+](Cc1cc(-c2ccccc2)on1)Cc1ccccc1 ZINC000336724159 337398618 /nfs/dbraw/zinc/39/86/18/337398618.db2.gz IQKLHGHSJQFUKU-UHFFFAOYSA-N 2 2 321.424 3.693 20 0 DHADLP [NH3+]CCC[N@@H+](Cc1cc(-c2ccccc2)on1)Cc1ccccc1 ZINC000336724159 337398619 /nfs/dbraw/zinc/39/86/19/337398619.db2.gz IQKLHGHSJQFUKU-UHFFFAOYSA-N 2 2 321.424 3.693 20 0 DHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130667643 337433930 /nfs/dbraw/zinc/43/39/30/337433930.db2.gz HVKOHUJJSPORQQ-LJQANCHMSA-N 2 2 321.424 3.553 20 0 DHADLP C[C@@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000419689771 337491368 /nfs/dbraw/zinc/49/13/68/337491368.db2.gz UHZCSPVVBWILRK-SFHVURJKSA-N 3 2 321.553 3.638 20 0 DHADLP [NH3+][C@@H]1CCC[C@@H](CNc2[nH+]cccc2OCc2ccccc2)C1 ZINC000420272961 337498142 /nfs/dbraw/zinc/49/81/42/337498142.db2.gz DSUVFMOTJXVUIX-IAGOWNOFSA-N 2 2 311.429 3.590 20 0 DHADLP CC1(C)C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c2cc(N)ccc2O1 ZINC000572234686 337599547 /nfs/dbraw/zinc/59/95/47/337599547.db2.gz YLTXSPLOMRYZES-SQNIBIBYSA-N 2 2 323.440 3.605 20 0 DHADLP C[C@H](CCCC[NH3+])[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000422743007 337686853 /nfs/dbraw/zinc/68/68/53/337686853.db2.gz SSCODFHTILUPKR-UYAOXDASSA-N 3 2 317.521 3.567 20 0 DHADLP CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422939443 337692495 /nfs/dbraw/zinc/69/24/95/337692495.db2.gz FPPBYMQHIGVDDT-QYZOEREBSA-N 2 2 308.425 3.807 20 0 DHADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423098166 337699437 /nfs/dbraw/zinc/69/94/37/337699437.db2.gz CHKDKBXLZFTGQH-XHDPSFHLSA-N 2 2 321.877 3.551 20 0 DHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423234861 337706383 /nfs/dbraw/zinc/70/63/83/337706383.db2.gz MJDBJVZEJPENMM-XJKSGUPXSA-N 2 2 315.486 3.830 20 0 DHADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423247749 337707121 /nfs/dbraw/zinc/70/71/21/337707121.db2.gz PJDCRUKWJJFOSS-LBPRGKRZSA-N 2 2 308.372 3.701 20 0 DHADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000423249444 337707251 /nfs/dbraw/zinc/70/72/51/337707251.db2.gz SBYPFAIHDBCKTM-LLVKDONJSA-N 2 2 306.397 3.601 20 0 DHADLP CCC[NH2+]CC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000423309381 337711358 /nfs/dbraw/zinc/71/13/58/337711358.db2.gz LFFFRJNQSLVEIG-GOSISDBHSA-N 2 2 317.864 3.608 20 0 DHADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1OCc1ccccc1 ZINC000423336782 337712724 /nfs/dbraw/zinc/71/27/24/337712724.db2.gz VBTRIFNQCRPSNY-INIZCTEOSA-N 2 2 310.441 3.798 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1csc(-c2ccccc2F)n1 ZINC000423387058 337717963 /nfs/dbraw/zinc/71/79/63/337717963.db2.gz HJJIIUPTEVIOGM-TYNCELHUSA-N 2 2 319.449 3.598 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc(OC)cc1 ZINC000423447341 337719725 /nfs/dbraw/zinc/71/97/25/337719725.db2.gz ZODBOSSKCIIBLM-PMACEKPBSA-N 2 2 310.441 3.623 20 0 DHADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000423533901 337724599 /nfs/dbraw/zinc/72/45/99/337724599.db2.gz UPGPZDGBBAVDKX-CZUORRHYSA-N 2 2 315.486 3.978 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc2ccccc2o1 ZINC000423526358 337724690 /nfs/dbraw/zinc/72/46/90/337724690.db2.gz LHJKEQAHLKISLD-FHLIZLRMSA-N 2 2 306.409 3.839 20 0 DHADLP Fc1cc2c(cc1Cl)[C@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000527853518 337769175 /nfs/dbraw/zinc/76/91/75/337769175.db2.gz QOIAOWMVYAPDLC-MRXNPFEDSA-N 2 2 307.800 3.733 20 0 DHADLP c1ccc(N2CCC([NH2+]CC(C3CCC3)C3CCC3)CC2)[nH+]c1 ZINC000527924264 337775380 /nfs/dbraw/zinc/77/53/80/337775380.db2.gz IFLKALGEOVYOSM-UHFFFAOYSA-N 2 2 313.489 3.856 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000536883008 337844329 /nfs/dbraw/zinc/84/43/29/337844329.db2.gz QLCBCCQWHWDMFL-MRXNPFEDSA-N 2 2 308.416 3.805 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)Cc2cccc(Cl)c2)n1C ZINC000514734575 337969641 /nfs/dbraw/zinc/96/96/41/337969641.db2.gz HXRMDQVPPVWZBE-UHFFFAOYSA-N 2 2 305.853 3.740 20 0 DHADLP CCc1nc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000426337143 338027690 /nfs/dbraw/zinc/02/76/90/338027690.db2.gz YVMIWTRSNTWZQX-RHSMWYFYSA-N 2 2 319.493 3.678 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000428327346 338047508 /nfs/dbraw/zinc/04/75/08/338047508.db2.gz SPLSAICQYKLDEL-ZBFHGGJFSA-N 2 2 319.493 3.678 20 0 DHADLP CCCc1nc(C)c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000428327346 338047509 /nfs/dbraw/zinc/04/75/09/338047509.db2.gz SPLSAICQYKLDEL-ZBFHGGJFSA-N 2 2 319.493 3.678 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000428328025 338047519 /nfs/dbraw/zinc/04/75/19/338047519.db2.gz WRMDVRWGAPHNOR-GOEBONIOSA-N 2 2 319.493 3.849 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000428328025 338047520 /nfs/dbraw/zinc/04/75/20/338047520.db2.gz WRMDVRWGAPHNOR-GOEBONIOSA-N 2 2 319.493 3.849 20 0 DHADLP CCc1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)o1 ZINC000428443324 338051745 /nfs/dbraw/zinc/05/17/45/338051745.db2.gz YGJFVTGTWZCWAL-HOTGVXAUSA-N 2 2 307.482 3.536 20 0 DHADLP C[C@H](C[NH2+]Cc1nc2ccc(F)cc2s1)C[NH+]1CCCCC1 ZINC000428875526 338063918 /nfs/dbraw/zinc/06/39/18/338063918.db2.gz VCNSCTNLTQKCGK-CYBMUJFWSA-N 2 2 321.465 3.647 20 0 DHADLP COC1(C[C@@H](C)[NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CCC1 ZINC000429378875 338079095 /nfs/dbraw/zinc/07/90/95/338079095.db2.gz ITAOHWFEUWRNKU-IEBWSBKVSA-N 2 2 316.489 3.761 20 0 DHADLP Cc1ccoc1C[NH+](C)CC(C)C[N@@H+](C)Cc1occc1C ZINC000429403821 338079802 /nfs/dbraw/zinc/07/98/02/338079802.db2.gz UCZCSFRCBXSOCL-UHFFFAOYSA-N 2 2 304.434 3.689 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000429432015 338080767 /nfs/dbraw/zinc/08/07/67/338080767.db2.gz CWSAJQKROLUSNB-JENIJYKNSA-N 2 2 316.489 3.587 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000429432015 338080768 /nfs/dbraw/zinc/08/07/68/338080768.db2.gz CWSAJQKROLUSNB-JENIJYKNSA-N 2 2 316.489 3.587 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000429554861 338083938 /nfs/dbraw/zinc/08/39/38/338083938.db2.gz UKDQSDPCEJPMQT-CQSZACIVSA-N 2 2 301.261 3.910 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000429554861 338083939 /nfs/dbraw/zinc/08/39/39/338083939.db2.gz UKDQSDPCEJPMQT-CQSZACIVSA-N 2 2 301.261 3.910 20 0 DHADLP CSC[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000430195446 338100746 /nfs/dbraw/zinc/10/07/46/338100746.db2.gz INAFPKBAVLJBJX-ZDUSSCGKSA-N 2 2 307.488 3.509 20 0 DHADLP CSC[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000430195446 338100747 /nfs/dbraw/zinc/10/07/47/338100747.db2.gz INAFPKBAVLJBJX-ZDUSSCGKSA-N 2 2 307.488 3.509 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cs2)o1 ZINC000430579567 338109071 /nfs/dbraw/zinc/10/90/71/338109071.db2.gz CIDQGMZUEUKHAU-CQSZACIVSA-N 2 2 307.463 3.517 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cs2)o1 ZINC000430579567 338109072 /nfs/dbraw/zinc/10/90/72/338109072.db2.gz CIDQGMZUEUKHAU-CQSZACIVSA-N 2 2 307.463 3.517 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000430617255 338109976 /nfs/dbraw/zinc/10/99/76/338109976.db2.gz LAWWHOAOYXSPHX-YVEFUNNKSA-N 2 2 319.836 3.697 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000430617255 338109977 /nfs/dbraw/zinc/10/99/77/338109977.db2.gz LAWWHOAOYXSPHX-YVEFUNNKSA-N 2 2 319.836 3.697 20 0 DHADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000430709691 338111996 /nfs/dbraw/zinc/11/19/96/338111996.db2.gz OKOOLYUEYWQXJX-JFIYKMOQSA-N 2 2 310.526 3.680 20 0 DHADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000431350136 338128876 /nfs/dbraw/zinc/12/88/76/338128876.db2.gz NRNGOSPCTFKINQ-MRXNPFEDSA-N 2 2 308.853 3.548 20 0 DHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000431403438 338129975 /nfs/dbraw/zinc/12/99/75/338129975.db2.gz MHDUJYWWOFGHMJ-AEFFLSMTSA-N 2 2 324.403 3.570 20 0 DHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000431403438 338129976 /nfs/dbraw/zinc/12/99/76/338129976.db2.gz MHDUJYWWOFGHMJ-AEFFLSMTSA-N 2 2 324.403 3.570 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1csc(Cl)c1 ZINC000432409009 338155190 /nfs/dbraw/zinc/15/51/90/338155190.db2.gz DXGPQGAAVNCQEK-OLZOCXBDSA-N 2 2 316.898 3.553 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1csc(Cl)c1 ZINC000432409009 338155191 /nfs/dbraw/zinc/15/51/91/338155191.db2.gz DXGPQGAAVNCQEK-OLZOCXBDSA-N 2 2 316.898 3.553 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C2CCC2)o1 ZINC000432413590 338155484 /nfs/dbraw/zinc/15/54/84/338155484.db2.gz NCZLNRNUYQVEFL-APWZRJJASA-N 2 2 320.477 3.520 20 0 DHADLP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CCC2)o1 ZINC000432413590 338155485 /nfs/dbraw/zinc/15/54/85/338155485.db2.gz NCZLNRNUYQVEFL-APWZRJJASA-N 2 2 320.477 3.520 20 0 DHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2nc3ccc(F)cc3s2)CC1 ZINC000432735487 338164973 /nfs/dbraw/zinc/16/49/73/338164973.db2.gz KJOONIHRLSLWMD-UHFFFAOYSA-N 2 2 321.465 3.740 20 0 DHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2nc3ccc(F)cc3s2)CC1 ZINC000432735487 338164974 /nfs/dbraw/zinc/16/49/74/338164974.db2.gz KJOONIHRLSLWMD-UHFFFAOYSA-N 2 2 321.465 3.740 20 0 DHADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nc2ccc(F)cc2s1 ZINC000432745987 338165952 /nfs/dbraw/zinc/16/59/52/338165952.db2.gz GFWUERKMUCHOBD-AWEZNQCLSA-N 2 2 321.465 3.742 20 0 DHADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nc2ccc(F)cc2s1 ZINC000432745987 338165953 /nfs/dbraw/zinc/16/59/53/338165953.db2.gz GFWUERKMUCHOBD-AWEZNQCLSA-N 2 2 321.465 3.742 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1nc2ccc(F)cc2s1 ZINC000432745987 338165954 /nfs/dbraw/zinc/16/59/54/338165954.db2.gz GFWUERKMUCHOBD-AWEZNQCLSA-N 2 2 321.465 3.742 20 0 DHADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1nc2ccc(F)cc2s1 ZINC000432745987 338165955 /nfs/dbraw/zinc/16/59/55/338165955.db2.gz GFWUERKMUCHOBD-AWEZNQCLSA-N 2 2 321.465 3.742 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1nccs1 ZINC000153358348 338223130 /nfs/dbraw/zinc/22/31/30/338223130.db2.gz ITUUPYHZPQPTHJ-YCPHGPKFSA-N 2 2 307.507 3.837 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434790044 338225607 /nfs/dbraw/zinc/22/56/07/338225607.db2.gz QCOIKRWHVFDAAX-IPYPFGDCSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434790044 338225608 /nfs/dbraw/zinc/22/56/08/338225608.db2.gz QCOIKRWHVFDAAX-IPYPFGDCSA-N 2 2 304.400 3.714 20 0 DHADLP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000435877865 338251415 /nfs/dbraw/zinc/25/14/15/338251415.db2.gz VUUCVFMNZJRLLX-OAHLLOKOSA-N 2 2 300.368 3.842 20 0 DHADLP C[NH2+]CCC[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000435877865 338251416 /nfs/dbraw/zinc/25/14/16/338251416.db2.gz VUUCVFMNZJRLLX-OAHLLOKOSA-N 2 2 300.368 3.842 20 0 DHADLP Fc1cccc2[nH]c(C[NH2+]CCCCNc3cccc[nH+]3)cc21 ZINC000436231789 338262736 /nfs/dbraw/zinc/26/27/36/338262736.db2.gz LVRUHNFYPORTHP-UHFFFAOYSA-N 2 2 312.392 3.684 20 0 DHADLP c1c(CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)[nH+]c2ccccn12 ZINC000436235802 338262781 /nfs/dbraw/zinc/26/27/81/338262781.db2.gz CANZULDNGLHNEU-MOPGFXCFSA-N 2 2 319.452 3.878 20 0 DHADLP COCCC1(C[NH2+]CC[N@H+](C)Cc2ccccc2)CCCCC1 ZINC000436280458 338265450 /nfs/dbraw/zinc/26/54/50/338265450.db2.gz DSHWMRAHOMCAGR-UHFFFAOYSA-N 2 2 318.505 3.695 20 0 DHADLP COCCC1(C[NH2+]CC[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000436280458 338265451 /nfs/dbraw/zinc/26/54/51/338265451.db2.gz DSHWMRAHOMCAGR-UHFFFAOYSA-N 2 2 318.505 3.695 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CC2([NH+](C)C)CCC2)c2ccccc12 ZINC000437100471 338300904 /nfs/dbraw/zinc/30/09/04/338300904.db2.gz UGSXXTNDHRCGNL-HNNXBMFYSA-N 2 2 312.457 3.983 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2cccc(O)c2)n1-c1ccccc1 ZINC000437280690 338305933 /nfs/dbraw/zinc/30/59/33/338305933.db2.gz KXDGKOFZAIWLBS-OAHLLOKOSA-N 2 2 321.424 3.607 20 0 DHADLP c1cc2c(o1)CCC[C@@H]2[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000447530245 338554390 /nfs/dbraw/zinc/55/43/90/338554390.db2.gz NVIAUVINLBTWEX-INIZCTEOSA-N 2 2 320.502 3.608 20 0 DHADLP COCC1CCC([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000449057507 338588984 /nfs/dbraw/zinc/58/89/84/338588984.db2.gz CPMDOGGKDNCFGP-LYBXBRPPSA-N 2 2 316.489 3.618 20 0 DHADLP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000449059106 338589222 /nfs/dbraw/zinc/58/92/22/338589222.db2.gz AFTLPECODKDPRN-DOTOQJQBSA-N 2 2 303.837 3.538 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000449216061 338603069 /nfs/dbraw/zinc/60/30/69/338603069.db2.gz ZURVWASVKDOTKM-QFBILLFUSA-N 2 2 313.489 3.919 20 0 DHADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000449298012 338610635 /nfs/dbraw/zinc/61/06/35/338610635.db2.gz ILKRAJSPYPAOOQ-SSDMNJCBSA-N 2 2 324.390 3.698 20 0 DHADLP Cc1cccn2c(C[NH2+]C[C@H]3CSc4ccccc43)c[nH+]c12 ZINC000449357544 338617286 /nfs/dbraw/zinc/61/72/86/338617286.db2.gz DSCIKTHMBBAFTH-AWEZNQCLSA-N 2 2 309.438 3.622 20 0 DHADLP FC1(F)CCCC[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449380134 338619465 /nfs/dbraw/zinc/61/94/65/338619465.db2.gz VLXJANDYNRKZEH-GFCCVEGCSA-N 2 2 311.401 3.849 20 0 DHADLP c1ccc(N2CCC([NH2+]C3CCc4ccccc4CC3)CC2)[nH+]c1 ZINC000449593982 338640358 /nfs/dbraw/zinc/64/03/58/338640358.db2.gz QBKPMYYEGLUHCA-UHFFFAOYSA-N 2 2 321.468 3.588 20 0 DHADLP c1cn(CCC[NH2+]CC(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000194617151 338644739 /nfs/dbraw/zinc/64/47/39/338644739.db2.gz LQJHRHUXYZOVCG-UHFFFAOYSA-N 2 2 305.425 3.695 20 0 DHADLP CCc1cc(N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)cc[nH+]1 ZINC000450458035 338685452 /nfs/dbraw/zinc/68/54/52/338685452.db2.gz WXPVFZFABVJNOO-SFHVURJKSA-N 2 2 310.445 3.598 20 0 DHADLP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453052912 338787945 /nfs/dbraw/zinc/78/79/45/338787945.db2.gz DXRDATPSISXYFI-GJZGRUSLSA-N 2 2 309.417 3.501 20 0 DHADLP CC(C)CCOc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459405731 339027336 /nfs/dbraw/zinc/02/73/36/339027336.db2.gz TVGLBUZSWULNLW-UHFFFAOYSA-N 2 2 316.489 3.828 20 0 DHADLP c1cn(CCCC2CC[NH+](CCOCC3CCCC3)CC2)c[nH+]1 ZINC000459422368 339028424 /nfs/dbraw/zinc/02/84/24/339028424.db2.gz ZLFYPKJSGYAMBG-UHFFFAOYSA-N 2 2 319.493 3.582 20 0 DHADLP Cn1c[nH+]cc1CC[NH+]1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000459446004 339029708 /nfs/dbraw/zinc/02/97/08/339029708.db2.gz SMFMAMFDOITIBD-UHFFFAOYSA-N 2 2 317.864 3.670 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2cccc(F)c2o1 ZINC000459489302 339032384 /nfs/dbraw/zinc/03/23/84/339032384.db2.gz AEJDEBHLBYZYAQ-LBPRGKRZSA-N 2 2 302.393 3.849 20 0 DHADLP FC(F)[C@H](CCc1ccccc1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000459662931 339041416 /nfs/dbraw/zinc/04/14/16/339041416.db2.gz VMDIPVNHEUWEJZ-KRWDZBQOSA-N 2 2 315.367 3.690 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000461367453 339062432 /nfs/dbraw/zinc/06/24/32/339062432.db2.gz SKNXDXLIMYQPBX-ZBEGNZNMSA-N 2 2 313.272 3.864 20 0 DHADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000461367453 339062433 /nfs/dbraw/zinc/06/24/33/339062433.db2.gz SKNXDXLIMYQPBX-ZBEGNZNMSA-N 2 2 313.272 3.864 20 0 DHADLP CCC(C)(C)C1CCC([NH2+]C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000462744749 339086395 /nfs/dbraw/zinc/08/63/95/339086395.db2.gz MNLKRWWGXPGVIY-WWDZGPRUSA-N 2 2 310.526 3.539 20 0 DHADLP COc1ccc(F)cc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000462788966 339088838 /nfs/dbraw/zinc/08/88/38/339088838.db2.gz IICCNTRKTLMIFU-UHFFFAOYSA-N 2 2 320.452 3.579 20 0 DHADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462819849 339091762 /nfs/dbraw/zinc/09/17/62/339091762.db2.gz LBMNBOUSCNXRQT-GJZGRUSLSA-N 2 2 301.478 3.764 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3C[C@H](c4ccccc4C)C3)n2c1 ZINC000466386145 339201830 /nfs/dbraw/zinc/20/18/30/339201830.db2.gz NLYRHTXZYALNPK-QAQDUYKDSA-N 2 2 305.425 3.987 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000467343096 339232594 /nfs/dbraw/zinc/23/25/94/339232594.db2.gz MCIPFPAAEJZWQX-RTBURBONSA-N 2 2 315.505 3.738 20 0 DHADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000468523399 339265364 /nfs/dbraw/zinc/26/53/64/339265364.db2.gz QCDHRJPYEIVQID-YHLLGKTKSA-N 2 2 304.478 3.502 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCCC(F)(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000468555727 339266272 /nfs/dbraw/zinc/26/62/72/339266272.db2.gz RRPPIIJAAPZCNW-GOEBONIOSA-N 2 2 314.395 3.829 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCCC(F)(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000468555727 339266273 /nfs/dbraw/zinc/26/62/73/339266273.db2.gz RRPPIIJAAPZCNW-GOEBONIOSA-N 2 2 314.395 3.829 20 0 DHADLP COc1cccc2c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C)c[nH+]c12 ZINC000468713345 339269304 /nfs/dbraw/zinc/26/93/04/339269304.db2.gz HASIGZBVEGLPNY-HUUCEWRRSA-N 2 2 311.429 3.591 20 0 DHADLP COc1cccc2c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c(C)c[nH+]c12 ZINC000468713345 339269305 /nfs/dbraw/zinc/26/93/05/339269305.db2.gz HASIGZBVEGLPNY-HUUCEWRRSA-N 2 2 311.429 3.591 20 0 DHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)C1CCOCC1 ZINC000469797956 339300692 /nfs/dbraw/zinc/30/06/92/339300692.db2.gz FAVGAHDYDQRSMC-YLJYHZDGSA-N 2 2 318.505 3.548 20 0 DHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)C1CCOCC1 ZINC000469797956 339300693 /nfs/dbraw/zinc/30/06/93/339300693.db2.gz FAVGAHDYDQRSMC-YLJYHZDGSA-N 2 2 318.505 3.548 20 0 DHADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)C1CCOCC1 ZINC000469797955 339300781 /nfs/dbraw/zinc/30/07/81/339300781.db2.gz FAVGAHDYDQRSMC-XLIONFOSSA-N 2 2 318.505 3.548 20 0 DHADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)C1CCOCC1 ZINC000469797955 339300782 /nfs/dbraw/zinc/30/07/82/339300782.db2.gz FAVGAHDYDQRSMC-XLIONFOSSA-N 2 2 318.505 3.548 20 0 DHADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000469849239 339302658 /nfs/dbraw/zinc/30/26/58/339302658.db2.gz QVGOQALTSJJYAA-NWDGAFQWSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000469849239 339302659 /nfs/dbraw/zinc/30/26/59/339302659.db2.gz QVGOQALTSJJYAA-NWDGAFQWSA-N 2 2 321.877 3.633 20 0 DHADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000470004315 339308116 /nfs/dbraw/zinc/30/81/16/339308116.db2.gz XEOHBQOJJZRUNO-CQSZACIVSA-N 2 2 322.880 3.703 20 0 DHADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000470004315 339308117 /nfs/dbraw/zinc/30/81/17/339308117.db2.gz XEOHBQOJJZRUNO-CQSZACIVSA-N 2 2 322.880 3.703 20 0 DHADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000470004314 339308146 /nfs/dbraw/zinc/30/81/46/339308146.db2.gz XEOHBQOJJZRUNO-AWEZNQCLSA-N 2 2 322.880 3.703 20 0 DHADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000470004314 339308147 /nfs/dbraw/zinc/30/81/47/339308147.db2.gz XEOHBQOJJZRUNO-AWEZNQCLSA-N 2 2 322.880 3.703 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000470020358 339308810 /nfs/dbraw/zinc/30/88/10/339308810.db2.gz YGVUIUBSXAOLKL-UHFFFAOYSA-N 2 2 316.489 3.830 20 0 DHADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC000470161491 339312209 /nfs/dbraw/zinc/31/22/09/339312209.db2.gz SHCRVWAGPFDWHT-PXNSSMCTSA-N 2 2 316.489 3.618 20 0 DHADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC000470161491 339312210 /nfs/dbraw/zinc/31/22/10/339312210.db2.gz SHCRVWAGPFDWHT-PXNSSMCTSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000472598496 339374796 /nfs/dbraw/zinc/37/47/96/339374796.db2.gz RHCGMLPJJQVHQB-UZLBHIALSA-N 2 2 310.441 3.647 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000472598496 339374797 /nfs/dbraw/zinc/37/47/97/339374797.db2.gz RHCGMLPJJQVHQB-UZLBHIALSA-N 2 2 310.441 3.647 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000472598494 339374882 /nfs/dbraw/zinc/37/48/82/339374882.db2.gz RHCGMLPJJQVHQB-OXQOHEQNSA-N 2 2 310.441 3.647 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000472598494 339374883 /nfs/dbraw/zinc/37/48/83/339374883.db2.gz RHCGMLPJJQVHQB-OXQOHEQNSA-N 2 2 310.441 3.647 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](C)COc2c(C)cccc2C)c[nH+]1 ZINC000474607902 339419711 /nfs/dbraw/zinc/41/97/11/339419711.db2.gz PYMMVOBXYUBRID-GOSISDBHSA-N 2 2 312.457 3.997 20 0 DHADLP COc1cccc([C@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000481952856 339617739 /nfs/dbraw/zinc/61/77/39/339617739.db2.gz VVENPRWISHDKHX-OXJNMPFZSA-N 2 2 312.457 3.957 20 0 DHADLP Cc1cccc(C[C@@H]([NH2+]CCCNc2cccc[nH+]2)C2CC2)c1 ZINC000484312219 339684683 /nfs/dbraw/zinc/68/46/83/339684683.db2.gz SLMDSYCCHPNODS-LJQANCHMSA-N 2 2 309.457 3.803 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)[C@H]1C ZINC000494881238 339963506 /nfs/dbraw/zinc/96/35/06/339963506.db2.gz VZCGMHIAXRFUDL-QWQRMKEZSA-N 2 2 306.881 3.939 20 0 DHADLP Cc1ccc2[nH+]c(CNc3cc[nH+]c4cc(F)ccc34)cn2c1 ZINC000500463060 340059720 /nfs/dbraw/zinc/05/97/20/340059720.db2.gz DROZUNLDOMMSOS-UHFFFAOYSA-N 2 2 306.344 3.942 20 0 DHADLP CC(C)OC[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000501414365 340080324 /nfs/dbraw/zinc/08/03/24/340080324.db2.gz UURTXVLTTBXYOB-DLBZAZTESA-N 2 2 324.534 3.924 20 0 DHADLP C[C@@H](C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1)[NH+](C)C ZINC000501478103 340081911 /nfs/dbraw/zinc/08/19/11/340081911.db2.gz MQSHMFZGCPKEKF-AWEZNQCLSA-N 2 2 318.411 3.636 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000501481284 340082125 /nfs/dbraw/zinc/08/21/25/340082125.db2.gz QSDNMJKXPDNBKF-CNELAYHGSA-N 2 2 300.368 3.648 20 0 DHADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)oc1C ZINC000502686049 340110384 /nfs/dbraw/zinc/11/03/84/340110384.db2.gz SKJAJFNEKIMIFG-INIZCTEOSA-N 2 2 312.457 3.995 20 0 DHADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)oc1C ZINC000502686049 340110385 /nfs/dbraw/zinc/11/03/85/340110385.db2.gz SKJAJFNEKIMIFG-INIZCTEOSA-N 2 2 312.457 3.995 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)oc1C ZINC000502686050 340110479 /nfs/dbraw/zinc/11/04/79/340110479.db2.gz SKJAJFNEKIMIFG-MRXNPFEDSA-N 2 2 312.457 3.995 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)oc1C ZINC000502686050 340110480 /nfs/dbraw/zinc/11/04/80/340110480.db2.gz SKJAJFNEKIMIFG-MRXNPFEDSA-N 2 2 312.457 3.995 20 0 DHADLP CCCOc1cccc2c(N[C@@H]3CCn4cc[nH+]c4C3)cc[nH+]c12 ZINC000503586415 340131710 /nfs/dbraw/zinc/13/17/10/340131710.db2.gz KKTYKHLZOOXIIV-CQSZACIVSA-N 2 2 322.412 3.647 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000503952421 340138375 /nfs/dbraw/zinc/13/83/75/340138375.db2.gz IQJLJWYHTOKBBI-DZKOEADISA-N 2 2 324.390 3.793 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000503952421 340138376 /nfs/dbraw/zinc/13/83/76/340138376.db2.gz IQJLJWYHTOKBBI-DZKOEADISA-N 2 2 324.390 3.793 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000507506214 340223131 /nfs/dbraw/zinc/22/31/31/340223131.db2.gz FPNDYOPVXLITLO-OFQRWUPVSA-N 2 2 318.427 3.962 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)[NH+]2CCCC2)cc1 ZINC000507508878 340223308 /nfs/dbraw/zinc/22/33/08/340223308.db2.gz KDEUZQLKMFQACZ-IHPCNDPISA-N 2 2 316.489 3.537 20 0 DHADLP C[C@H](F)CC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509133596 340261926 /nfs/dbraw/zinc/26/19/26/340261926.db2.gz AOPMFIYSLUBJKD-MAUKXSAKSA-N 2 2 306.469 3.797 20 0 DHADLP C[C@H](F)CC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509133596 340261927 /nfs/dbraw/zinc/26/19/27/340261927.db2.gz AOPMFIYSLUBJKD-MAUKXSAKSA-N 2 2 306.469 3.797 20 0 DHADLP C[C@@H](F)CC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509133595 340261933 /nfs/dbraw/zinc/26/19/33/340261933.db2.gz AOPMFIYSLUBJKD-CRAIPNDOSA-N 2 2 306.469 3.797 20 0 DHADLP C[C@@H](F)CC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000509133595 340261934 /nfs/dbraw/zinc/26/19/34/340261934.db2.gz AOPMFIYSLUBJKD-CRAIPNDOSA-N 2 2 306.469 3.797 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000509824828 340280581 /nfs/dbraw/zinc/28/05/81/340280581.db2.gz AHIRUNOLQMVBTI-KZFLWGQDSA-N 2 2 318.505 3.802 20 0 DHADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000302977038 340291591 /nfs/dbraw/zinc/29/15/91/340291591.db2.gz LLAHLAMOWZAUDJ-FAKWYAOSSA-N 2 2 306.453 3.954 20 0 DHADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000302977038 340291592 /nfs/dbraw/zinc/29/15/92/340291592.db2.gz LLAHLAMOWZAUDJ-FAKWYAOSSA-N 2 2 306.453 3.954 20 0 DHADLP CCC[NH+]1CCC([N@H+](C)Cc2cccn2CCC(C)C)CC1 ZINC000510420511 340298903 /nfs/dbraw/zinc/29/89/03/340298903.db2.gz FGDFQDAAJHAJPA-UHFFFAOYSA-N 2 2 305.510 3.840 20 0 DHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccn2CCC(C)C)CC1 ZINC000510420511 340298904 /nfs/dbraw/zinc/29/89/04/340298904.db2.gz FGDFQDAAJHAJPA-UHFFFAOYSA-N 2 2 305.510 3.840 20 0 DHADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)cc1 ZINC000510675551 340306253 /nfs/dbraw/zinc/30/62/53/340306253.db2.gz OUWJVBUQUKNJOJ-WOJBJXKFSA-N 2 2 316.464 3.958 20 0 DHADLP Cc1cccc([C@H]([NH2+]CCn2cc[nH+]c2)c2cccc(F)c2)c1 ZINC000510694212 340306969 /nfs/dbraw/zinc/30/69/69/340306969.db2.gz HAGFPWQXJWPUTL-IBGZPJMESA-N 2 2 309.388 3.710 20 0 DHADLP Cc1cc(OCCC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C)ccc1Cl ZINC000510733741 340308594 /nfs/dbraw/zinc/30/85/94/340308594.db2.gz MFXIQKFRWRDNMU-LSDHHAIUSA-N 2 2 312.885 3.736 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C ZINC000510992078 340317441 /nfs/dbraw/zinc/31/74/41/340317441.db2.gz BNBNKKNNBCWXAW-QRQLOZEOSA-N 2 2 318.505 3.548 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C ZINC000510992078 340317442 /nfs/dbraw/zinc/31/74/42/340317442.db2.gz BNBNKKNNBCWXAW-QRQLOZEOSA-N 2 2 318.505 3.548 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccncc1F ZINC000511004787 340317907 /nfs/dbraw/zinc/31/79/07/340317907.db2.gz ZWLKACZDCRJUKY-VCBZYWHSSA-N 2 2 319.468 3.914 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511647456 340333752 /nfs/dbraw/zinc/33/37/52/340333752.db2.gz KDBVGXHTJKEJNK-VGSWGCGISA-N 2 2 320.480 3.891 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000511647456 340333753 /nfs/dbraw/zinc/33/37/53/340333753.db2.gz KDBVGXHTJKEJNK-VGSWGCGISA-N 2 2 320.480 3.891 20 0 DHADLP FC(F)(F)c1cccc([C@@H]2CCC[C@H]2[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000511891040 340341898 /nfs/dbraw/zinc/34/18/98/340341898.db2.gz PCEOLQDVNUUCAK-LSDHHAIUSA-N 2 2 309.335 3.854 20 0 DHADLP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000511891038 340341920 /nfs/dbraw/zinc/34/19/20/340341920.db2.gz PCEOLQDVNUUCAK-GJZGRUSLSA-N 2 2 309.335 3.854 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512869395 340381695 /nfs/dbraw/zinc/38/16/95/340381695.db2.gz RHGLXEJSLOEFFU-UKRRQHHQSA-N 2 2 312.379 3.754 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000512869395 340381696 /nfs/dbraw/zinc/38/16/96/340381696.db2.gz RHGLXEJSLOEFFU-UKRRQHHQSA-N 2 2 312.379 3.754 20 0 DHADLP C[C@@H]1CCCC[C@H]1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000513207604 340397261 /nfs/dbraw/zinc/39/72/61/340397261.db2.gz BXHLYHQMADKPGG-SJORKVTESA-N 2 2 301.478 3.856 20 0 DHADLP CC1CC[NH+](CCC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000513760209 340423732 /nfs/dbraw/zinc/42/37/32/340423732.db2.gz INUZSBADQWNBGO-SFHVURJKSA-N 2 2 318.509 3.743 20 0 DHADLP CCC[NH+]1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000236793139 340665016 /nfs/dbraw/zinc/66/50/16/340665016.db2.gz RPBRBNKUAYOBAE-UHFFFAOYSA-N 3 2 321.553 3.639 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000322249441 340703819 /nfs/dbraw/zinc/70/38/19/340703819.db2.gz MSQQRTFZBQLQBP-SFHVURJKSA-N 2 2 305.425 3.930 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216271 340782803 /nfs/dbraw/zinc/78/28/03/340782803.db2.gz ABVUKPPPAAIZSA-AAEUAGOBSA-N 2 2 307.507 3.684 20 0 DHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530219612 340782883 /nfs/dbraw/zinc/78/28/83/340782883.db2.gz LYFJMHAQNDMPCG-SWLSCSKDSA-N 2 2 310.388 3.532 20 0 DHADLP COc1ccc2oc([C@@H](C)[NH2+][C@@H]3CC[NH2+]C34CCC4)c(C)c2c1 ZINC000530218749 340783026 /nfs/dbraw/zinc/78/30/26/340783026.db2.gz JNCLVZSOEJVDQR-CXAGYDPISA-N 2 2 314.429 3.685 20 0 DHADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000530226280 340783180 /nfs/dbraw/zinc/78/31/80/340783180.db2.gz ZLJXAWFWVTZDMT-GJZGRUSLSA-N 2 2 323.278 3.774 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C2CCOCC2)[NH+]2CCCC2)cc1 ZINC000125045269 340802027 /nfs/dbraw/zinc/80/20/27/340802027.db2.gz ITDOGIROAKAQJI-PXNSSMCTSA-N 2 2 316.489 3.537 20 0 DHADLP Cc1cccc(C)c1OC[C@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C ZINC000538324185 340818254 /nfs/dbraw/zinc/81/82/54/340818254.db2.gz AJWPQUUFDFSZMG-KRWDZBQOSA-N 2 2 315.461 3.583 20 0 DHADLP Cc1cccc(OCC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000542940260 341027021 /nfs/dbraw/zinc/02/70/21/341027021.db2.gz MNHKDUCGOPKVIP-QGZVFWFLSA-N 2 2 321.424 3.910 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(Cl)s1 ZINC000130580497 341029341 /nfs/dbraw/zinc/02/93/41/341029341.db2.gz CDPWCLPZNOQOHN-LLVKDONJSA-N 2 2 305.834 3.943 20 0 DHADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000130608451 341032108 /nfs/dbraw/zinc/03/21/08/341032108.db2.gz MTHWKNWSLPBZNZ-NSHDSACASA-N 2 2 319.330 3.645 20 0 DHADLP c1cn(-c2csc(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)c2)c[nH+]1 ZINC000543394097 341041735 /nfs/dbraw/zinc/04/17/35/341041735.db2.gz QFXXTYKYUGTTAE-KRWDZBQOSA-N 2 2 323.465 3.998 20 0 DHADLP c1cn(-c2csc(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)c2)c[nH+]1 ZINC000543394097 341041736 /nfs/dbraw/zinc/04/17/36/341041736.db2.gz QFXXTYKYUGTTAE-KRWDZBQOSA-N 2 2 323.465 3.998 20 0 DHADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000543633676 341052239 /nfs/dbraw/zinc/05/22/39/341052239.db2.gz RGSIVQWUUHKSJL-KXBFYZLASA-N 2 2 302.437 3.693 20 0 DHADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000543633676 341052240 /nfs/dbraw/zinc/05/22/40/341052240.db2.gz RGSIVQWUUHKSJL-KXBFYZLASA-N 2 2 302.437 3.693 20 0 DHADLP c1ccc(NC2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)[nH+]c1 ZINC000543843537 341061296 /nfs/dbraw/zinc/06/12/96/341061296.db2.gz UPZHFSUHISVYNG-QGZVFWFLSA-N 2 2 321.468 3.763 20 0 DHADLP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421225 341081493 /nfs/dbraw/zinc/08/14/93/341081493.db2.gz JHCZDIPBKNNEBY-GJZGRUSLSA-N 2 2 319.493 3.715 20 0 DHADLP C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421225 341081494 /nfs/dbraw/zinc/08/14/94/341081494.db2.gz JHCZDIPBKNNEBY-GJZGRUSLSA-N 2 2 319.493 3.715 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000544829342 341095134 /nfs/dbraw/zinc/09/51/34/341095134.db2.gz IKMWBGIMDHNSGF-BMFZPTHFSA-N 2 2 314.395 3.828 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000544829342 341095135 /nfs/dbraw/zinc/09/51/35/341095135.db2.gz IKMWBGIMDHNSGF-BMFZPTHFSA-N 2 2 314.395 3.828 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000544831138 341095307 /nfs/dbraw/zinc/09/53/07/341095307.db2.gz VXUXUHCICPIMRF-HZPDHXFCSA-N 2 2 314.395 3.624 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000544831138 341095308 /nfs/dbraw/zinc/09/53/08/341095308.db2.gz VXUXUHCICPIMRF-HZPDHXFCSA-N 2 2 314.395 3.624 20 0 DHADLP Fc1ccc(/C=C/C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1F ZINC000564294188 341141050 /nfs/dbraw/zinc/14/10/50/341141050.db2.gz RIIACUSIUDSMGE-SNAWJCMRSA-N 2 2 320.427 3.928 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000546690005 341178935 /nfs/dbraw/zinc/17/89/35/341178935.db2.gz HQDAULDHSURTJK-ZIAGYGMSSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000546690005 341178936 /nfs/dbraw/zinc/17/89/36/341178936.db2.gz HQDAULDHSURTJK-ZIAGYGMSSA-N 2 2 314.395 3.568 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)CC1CCOCC1)c1ccccc1 ZINC000134053577 341205443 /nfs/dbraw/zinc/20/54/43/341205443.db2.gz CSYRIBHPUPYCGA-FXAWDEMLSA-N 2 2 318.505 3.864 20 0 DHADLP Cc1nn(-c2cc[nH+]cc2)cc1CNc1[nH+]cccc1C(C)C ZINC000547341397 341207297 /nfs/dbraw/zinc/20/72/97/341207297.db2.gz RXFZAWBZOSKVJB-UHFFFAOYSA-N 2 2 307.401 3.706 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@@H+]1Cc1ccccc1 ZINC000237482720 341214800 /nfs/dbraw/zinc/21/48/00/341214800.db2.gz ZNEYEMBAOVMUOG-VQIMIIECSA-N 2 2 319.452 3.921 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C[N@H+]1Cc1ccccc1 ZINC000237482720 341214801 /nfs/dbraw/zinc/21/48/01/341214801.db2.gz ZNEYEMBAOVMUOG-VQIMIIECSA-N 2 2 319.452 3.921 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000564322485 341216866 /nfs/dbraw/zinc/21/68/66/341216866.db2.gz PBTYJXRVTWXMFX-OWBHPGMISA-N 2 2 324.390 3.889 20 0 DHADLP C/C(=C/c1ccccc1C(F)(F)F)C[N@H+]1CC[NH+]2CCC1CC2 ZINC000564322485 341216867 /nfs/dbraw/zinc/21/68/67/341216867.db2.gz PBTYJXRVTWXMFX-OWBHPGMISA-N 2 2 324.390 3.889 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000547519479 341219933 /nfs/dbraw/zinc/21/99/33/341219933.db2.gz OMNOVPWKZCRGGT-JSGCOSHPSA-N 2 2 323.362 3.989 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000547519479 341219934 /nfs/dbraw/zinc/21/99/34/341219934.db2.gz OMNOVPWKZCRGGT-JSGCOSHPSA-N 2 2 323.362 3.989 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245581704 341303349 /nfs/dbraw/zinc/30/33/49/341303349.db2.gz HTSWIVVQTBUCSU-KHIZAZIESA-N 2 2 310.844 3.860 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245581704 341303350 /nfs/dbraw/zinc/30/33/50/341303350.db2.gz HTSWIVVQTBUCSU-KHIZAZIESA-N 2 2 310.844 3.860 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550237855 341313235 /nfs/dbraw/zinc/31/32/35/341313235.db2.gz AODHWWPVSOUEAA-ZWKOTPCHSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550237855 341313236 /nfs/dbraw/zinc/31/32/36/341313236.db2.gz AODHWWPVSOUEAA-ZWKOTPCHSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550237855 341313237 /nfs/dbraw/zinc/31/32/37/341313237.db2.gz AODHWWPVSOUEAA-ZWKOTPCHSA-N 2 2 308.416 3.834 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550237855 341313238 /nfs/dbraw/zinc/31/32/38/341313238.db2.gz AODHWWPVSOUEAA-ZWKOTPCHSA-N 2 2 308.416 3.834 20 0 DHADLP c1c(CC[NH2+][C@@H]2CCCCC23CCCC3)[nH+]c2n1CCCC2 ZINC000550622365 341319764 /nfs/dbraw/zinc/31/97/64/341319764.db2.gz LUYUAPJSHCTCPQ-QGZVFWFLSA-N 2 2 301.478 3.855 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)[NH+](CC)CC)cc1 ZINC000550846811 341324282 /nfs/dbraw/zinc/32/42/82/341324282.db2.gz GYIKWJCCOHATSU-AHRSYUTCSA-N 2 2 318.505 3.647 20 0 DHADLP C[C@@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)[N@H+](C)C1CC1 ZINC000551030655 341329415 /nfs/dbraw/zinc/32/94/15/341329415.db2.gz YIIBRCAPHNQCSQ-SCLBCKFNSA-N 2 2 306.881 3.733 20 0 DHADLP C[C@@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)[N@@H+](C)C1CC1 ZINC000551030655 341329416 /nfs/dbraw/zinc/32/94/16/341329416.db2.gz YIIBRCAPHNQCSQ-SCLBCKFNSA-N 2 2 306.881 3.733 20 0 DHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCOC2(C)C)CCCC1)c1ccccc1 ZINC000551051437 341330158 /nfs/dbraw/zinc/33/01/58/341330158.db2.gz OLPLLOSYPBLUGR-SJLPKXTDSA-N 2 2 316.489 3.807 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H]2CCOC[C@@H]2C)[NH+](CC)CC)cc1 ZINC000551228584 341334547 /nfs/dbraw/zinc/33/45/47/341334547.db2.gz JBZSNZOMPVZWTI-VDGAXYAQSA-N 2 2 318.505 3.647 20 0 DHADLP Cc1nc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)sc1C ZINC000246232313 341336311 /nfs/dbraw/zinc/33/63/11/341336311.db2.gz MTGYQSANMKEJLX-PBHICJAKSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)sc1C ZINC000246232313 341336312 /nfs/dbraw/zinc/33/63/12/341336312.db2.gz MTGYQSANMKEJLX-PBHICJAKSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)sc1C ZINC000246232313 341336313 /nfs/dbraw/zinc/33/63/13/341336313.db2.gz MTGYQSANMKEJLX-PBHICJAKSA-N 2 2 321.534 3.846 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)sc1C ZINC000246232313 341336314 /nfs/dbraw/zinc/33/63/14/341336314.db2.gz MTGYQSANMKEJLX-PBHICJAKSA-N 2 2 321.534 3.846 20 0 DHADLP CC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](C)C(C)C ZINC000551379891 341339973 /nfs/dbraw/zinc/33/99/73/341339973.db2.gz AEOGXXAELAOWLC-ICSRJNTNSA-N 2 2 318.505 3.644 20 0 DHADLP CC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](C)C(C)C ZINC000551379891 341339974 /nfs/dbraw/zinc/33/99/74/341339974.db2.gz AEOGXXAELAOWLC-ICSRJNTNSA-N 2 2 318.505 3.644 20 0 DHADLP CC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](C)C(C)C ZINC000551379891 341339975 /nfs/dbraw/zinc/33/99/75/341339975.db2.gz AEOGXXAELAOWLC-ICSRJNTNSA-N 2 2 318.505 3.644 20 0 DHADLP CC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](C)C(C)C ZINC000551379891 341339976 /nfs/dbraw/zinc/33/99/76/341339976.db2.gz AEOGXXAELAOWLC-ICSRJNTNSA-N 2 2 318.505 3.644 20 0 DHADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cc2c(s1)CCC2 ZINC000551572460 341346137 /nfs/dbraw/zinc/34/61/37/341346137.db2.gz UHJRMUHOVADUEV-GFCCVEGCSA-N 2 2 301.459 3.620 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000551581705 341346381 /nfs/dbraw/zinc/34/63/81/341346381.db2.gz MSXSWLUTTJYRQH-STQMWFEESA-N 2 2 312.910 3.939 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)s2)C[N@H+]1C1CC1 ZINC000551581705 341346382 /nfs/dbraw/zinc/34/63/82/341346382.db2.gz MSXSWLUTTJYRQH-STQMWFEESA-N 2 2 312.910 3.939 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2CCF)[NH+](C)C)cc1 ZINC000552050715 341365120 /nfs/dbraw/zinc/36/51/20/341365120.db2.gz PSMLMBCVKROZRW-WDSOQIARSA-N 2 2 306.469 3.970 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)s1 ZINC000248056042 341372661 /nfs/dbraw/zinc/37/26/61/341372661.db2.gz XLGJNKZTTNLGGT-FRRDWIJNSA-N 2 2 316.898 3.551 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)s1 ZINC000248056042 341372662 /nfs/dbraw/zinc/37/26/62/341372662.db2.gz XLGJNKZTTNLGGT-FRRDWIJNSA-N 2 2 316.898 3.551 20 0 DHADLP C[NH+](C)CCCCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000552232658 341380025 /nfs/dbraw/zinc/38/00/25/341380025.db2.gz XDPBVAHKAGDHBV-UHFFFAOYSA-N 2 2 313.401 3.544 20 0 DHADLP CC[C@@H]1CC[C@H]1[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000554072649 341442642 /nfs/dbraw/zinc/44/26/42/341442642.db2.gz WUOAOLPBIWZORH-ZHALLVOQSA-N 2 2 316.489 3.665 20 0 DHADLP F[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000554089255 341443575 /nfs/dbraw/zinc/44/35/75/341443575.db2.gz BOVJRWAYLVUJFF-RDJZCZTQSA-N 2 2 310.844 3.785 20 0 DHADLP CC(C)Cc1ccc([C@H](C[NH2+]C2CCSCC2)[NH+](C)C)cc1 ZINC000554401677 341453491 /nfs/dbraw/zinc/45/34/91/341453491.db2.gz GHGAPAXPSIDQMH-IBGZPJMESA-N 2 2 320.546 3.973 20 0 DHADLP CCCC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCC1 ZINC000554889839 341468752 /nfs/dbraw/zinc/46/87/52/341468752.db2.gz JMTCPALAPNLSQF-HXUWFJFHSA-N 2 2 315.505 3.995 20 0 DHADLP [NH3+][C@H]1C[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)c2ccccc21 ZINC000261937107 341509638 /nfs/dbraw/zinc/50/96/38/341509638.db2.gz UCAUZQSHFDVTKX-ROUUACIJSA-N 2 2 308.429 3.629 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000565243061 341521154 /nfs/dbraw/zinc/52/11/54/341521154.db2.gz AHOUVMNORQQHNU-PGYGNJIDSA-N 2 2 322.537 3.967 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)F)c2ccccc21 ZINC000262383812 341521311 /nfs/dbraw/zinc/52/13/11/341521311.db2.gz ZBBRDOJKMPFBQB-LSDHHAIUSA-N 2 2 304.340 3.522 20 0 DHADLP COC[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C1CC1 ZINC000153437818 341540209 /nfs/dbraw/zinc/54/02/09/341540209.db2.gz KUTZRGLFERBYDP-IRXDYDNUSA-N 2 2 322.518 3.536 20 0 DHADLP CC(C)[C@@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000153918563 341581491 /nfs/dbraw/zinc/58/14/91/341581491.db2.gz KUDKULAUTRXGMG-IAGOWNOFSA-N 2 2 304.478 3.521 20 0 DHADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000268826011 341604451 /nfs/dbraw/zinc/60/44/51/341604451.db2.gz QXNSTOBYYCNXKF-MRVPVSSYSA-N 2 2 304.246 3.911 20 0 DHADLP CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268835728 341604793 /nfs/dbraw/zinc/60/47/93/341604793.db2.gz SFUQXDMCVWOCSW-HOTGVXAUSA-N 2 2 301.434 3.657 20 0 DHADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000567639543 341623692 /nfs/dbraw/zinc/62/36/92/341623692.db2.gz ZTPIEJMBGQNVIG-CQSZACIVSA-N 2 2 303.475 3.849 20 0 DHADLP COc1ccccc1[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1 ZINC000572900601 341708765 /nfs/dbraw/zinc/70/87/65/341708765.db2.gz KTMGJVQXBLYOJI-HXUWFJFHSA-N 2 2 321.424 3.616 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)c2ccccc21 ZINC000573197600 341720678 /nfs/dbraw/zinc/72/06/78/341720678.db2.gz LOFFOPDXQOOPCP-OALUTQOASA-N 2 2 323.440 3.637 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC(C)(C)[NH+](C)C ZINC000580643756 341891353 /nfs/dbraw/zinc/89/13/53/341891353.db2.gz HJZVVZNWWXAHNK-JLHYYAGUSA-N 2 2 312.404 3.621 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000371846783 518175374 /nfs/dbraw/zinc/17/53/74/518175374.db2.gz GTIYGYUZENAFRB-CQSZACIVSA-N 2 2 315.486 3.835 20 0 DHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCCn1cc[nH+]c1 ZINC000337346213 518445979 /nfs/dbraw/zinc/44/59/79/518445979.db2.gz WAVJXAUZVPSQDQ-SDNWHVSQSA-N 2 2 323.362 3.985 20 0 DHADLP CCCCc1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000266783007 521294617 /nfs/dbraw/zinc/29/46/17/521294617.db2.gz VPPVSIMMTAETGJ-UHFFFAOYSA-N 2 2 304.463 3.588 20 0 DHADLP CCC(CC)(C[NH2+]CC1=CCCOC1)[NH2+][C@H](C)c1ccccc1 ZINC000127455327 521442615 /nfs/dbraw/zinc/44/26/15/521442615.db2.gz CRYXFLTXXRIMSS-QGZVFWFLSA-N 2 2 316.489 3.832 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000159293816 521580951 /nfs/dbraw/zinc/58/09/51/521580951.db2.gz YVMXBFAXAOLDJQ-MRXNPFEDSA-N 2 2 306.425 3.502 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000156581694 521658511 /nfs/dbraw/zinc/65/85/11/521658511.db2.gz WQSGENFARVBWET-DOTOQJQBSA-N 2 2 300.446 3.507 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000156581694 521658514 /nfs/dbraw/zinc/65/85/14/521658514.db2.gz WQSGENFARVBWET-DOTOQJQBSA-N 2 2 300.446 3.507 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000266866753 521713744 /nfs/dbraw/zinc/71/37/44/521713744.db2.gz NBJIBANTWIQWJG-HNAYVOBHSA-N 2 2 313.445 3.504 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000266866753 521713747 /nfs/dbraw/zinc/71/37/47/521713747.db2.gz NBJIBANTWIQWJG-HNAYVOBHSA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000266866753 521713748 /nfs/dbraw/zinc/71/37/48/521713748.db2.gz NBJIBANTWIQWJG-HNAYVOBHSA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000266866753 521713750 /nfs/dbraw/zinc/71/37/50/521713750.db2.gz NBJIBANTWIQWJG-HNAYVOBHSA-N 2 2 313.445 3.504 20 0 DHADLP CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc3[nH+]ccn32)s1 ZINC000180406754 522229386 /nfs/dbraw/zinc/22/93/86/522229386.db2.gz UUCJCMCOBWCKSV-ZDUSSCGKSA-N 2 2 314.458 3.855 20 0 DHADLP CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc3[nH+]ccn32)s1 ZINC000180406754 522229398 /nfs/dbraw/zinc/22/93/98/522229398.db2.gz UUCJCMCOBWCKSV-ZDUSSCGKSA-N 2 2 314.458 3.855 20 0 DHADLP CCc1nc(C)c([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000162835286 522231248 /nfs/dbraw/zinc/23/12/48/522231248.db2.gz CDEQXMIGATVILC-ZDUSSCGKSA-N 2 2 318.490 3.952 20 0 DHADLP CCc1nc(C)c([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000130555328 522232324 /nfs/dbraw/zinc/23/23/24/522232324.db2.gz PEAHVGKXCJVGAT-LBPRGKRZSA-N 2 2 314.458 3.555 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CCCSC3)ccc2n1C1CC1 ZINC000338449929 522482237 /nfs/dbraw/zinc/48/22/37/522482237.db2.gz YYRJKQNBQGDGAY-CQSZACIVSA-N 2 2 315.486 3.919 20 0 DHADLP CCc1[nH+]c2cc(CNc3cc[nH+]c(C)c3)ccc2n1C1CC1 ZINC000338482810 522484091 /nfs/dbraw/zinc/48/40/91/522484091.db2.gz ATYCXUVUOLHQEE-UHFFFAOYSA-N 2 2 306.413 3.671 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccs1 ZINC000156377435 522563950 /nfs/dbraw/zinc/56/39/50/522563950.db2.gz LOTABXCGVOTTMA-KRWDZBQOSA-N 2 2 315.486 3.848 20 0 DHADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337216779 522728340 /nfs/dbraw/zinc/72/83/40/522728340.db2.gz ZPLFXQVBFKGSBP-MSOLQXFVSA-N 2 2 303.494 3.833 20 0 DHADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337216779 522728346 /nfs/dbraw/zinc/72/83/46/522728346.db2.gz ZPLFXQVBFKGSBP-MSOLQXFVSA-N 2 2 303.494 3.833 20 0 DHADLP C[NH+](CCCC(C)(C)C)C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000337216779 522728349 /nfs/dbraw/zinc/72/83/49/522728349.db2.gz ZPLFXQVBFKGSBP-MSOLQXFVSA-N 2 2 303.494 3.833 20 0 DHADLP C[NH+](CCCC(C)(C)C)C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000337216779 522728354 /nfs/dbraw/zinc/72/83/54/522728354.db2.gz ZPLFXQVBFKGSBP-MSOLQXFVSA-N 2 2 303.494 3.833 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccco1 ZINC000156704958 522729402 /nfs/dbraw/zinc/72/94/02/522729402.db2.gz JEYHKMONEBDINH-NJAFHUGGSA-N 2 2 320.477 3.600 20 0 DHADLP CC[C@@H](NC[C@@H](c1ccccc1)[NH+](CC)CC)c1[nH+]ccn1C ZINC000182184087 522852499 /nfs/dbraw/zinc/85/24/99/522852499.db2.gz HZIJFGMVYCDORC-MSOLQXFVSA-N 2 2 314.477 3.544 20 0 DHADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1 ZINC000361972674 522868532 /nfs/dbraw/zinc/86/85/32/522868532.db2.gz SHXYJNWOSCDMHO-HZPDHXFCSA-N 2 2 312.910 3.818 20 0 DHADLP COCCC1(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000364849860 523024840 /nfs/dbraw/zinc/02/48/40/523024840.db2.gz SVZUVQYHXBMWGO-MRXNPFEDSA-N 2 2 305.466 3.576 20 0 DHADLP COCCC1(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000364849860 523024846 /nfs/dbraw/zinc/02/48/46/523024846.db2.gz SVZUVQYHXBMWGO-MRXNPFEDSA-N 2 2 305.466 3.576 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337306276 523787586 /nfs/dbraw/zinc/78/75/86/523787586.db2.gz RVCBJCXSLICHRH-NEWSRXKRSA-N 2 2 315.505 3.818 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337306276 523787598 /nfs/dbraw/zinc/78/75/98/523787598.db2.gz RVCBJCXSLICHRH-NEWSRXKRSA-N 2 2 315.505 3.818 20 0 DHADLP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000337344695 523839115 /nfs/dbraw/zinc/83/91/15/523839115.db2.gz UFDBAMZAEOJLDK-UHFFFAOYSA-N 2 2 321.424 3.733 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000337346883 524503537 /nfs/dbraw/zinc/50/35/37/524503537.db2.gz WWRKNBLLPMLUIQ-MLYOOKFZSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000337346883 524503543 /nfs/dbraw/zinc/50/35/43/524503543.db2.gz WWRKNBLLPMLUIQ-MLYOOKFZSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c2ccsc2S1 ZINC000130336925 524931397 /nfs/dbraw/zinc/93/13/97/524931397.db2.gz QIRXYRXSTDVVFD-PMOUVXMZSA-N 2 2 308.516 3.890 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c2ccsc2S1 ZINC000130336925 524931405 /nfs/dbraw/zinc/93/14/05/524931405.db2.gz QIRXYRXSTDVVFD-PMOUVXMZSA-N 2 2 308.516 3.890 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1F ZINC000162853252 525148545 /nfs/dbraw/zinc/14/85/45/525148545.db2.gz ZEPROAQZKULCTE-CQSZACIVSA-N 2 2 317.408 3.772 20 0 DHADLP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](C)O1 ZINC000338476994 525234405 /nfs/dbraw/zinc/23/44/05/525234405.db2.gz IDWWJPCKDZQYMS-QDMKHBRRSA-N 2 2 319.474 3.617 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C(c2cccs2)c2cccs2)CC[N@@H+]1C ZINC000128106251 525263083 /nfs/dbraw/zinc/26/30/83/525263083.db2.gz WNSBZMUAGTUHSP-OLZOCXBDSA-N 2 2 306.500 3.971 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C(c2cccs2)c2cccs2)CC[N@H+]1C ZINC000128106251 525263092 /nfs/dbraw/zinc/26/30/92/525263092.db2.gz WNSBZMUAGTUHSP-OLZOCXBDSA-N 2 2 306.500 3.971 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CC[C@](C)(c3ccccc3)C1)C2 ZINC000363862745 525923811 /nfs/dbraw/zinc/92/38/11/525923811.db2.gz ICNPOBXVBGWPMH-BJLQDIEVSA-N 2 2 309.457 3.606 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccncc2)[NH+]2CCCC2)cc1 ZINC000156540993 525959432 /nfs/dbraw/zinc/95/94/32/525959432.db2.gz HBNIINFXACOGPA-PXNSSMCTSA-N 2 2 309.457 3.878 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181092461 526039425 /nfs/dbraw/zinc/03/94/25/526039425.db2.gz YBIYKSQMWWFZRH-ZDUSSCGKSA-N 2 2 311.351 3.985 20 0 DHADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181092461 526039433 /nfs/dbraw/zinc/03/94/33/526039433.db2.gz YBIYKSQMWWFZRH-ZDUSSCGKSA-N 2 2 311.351 3.985 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000189179909 526159809 /nfs/dbraw/zinc/15/98/09/526159809.db2.gz VSKRJDJMZUKGQN-VQIMIIECSA-N 2 2 313.489 3.919 20 0 DHADLP FC1(F)CCC(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000337290691 526274468 /nfs/dbraw/zinc/27/44/68/526274468.db2.gz MICXRNCLERHJOO-UHFFFAOYSA-N 2 2 311.401 3.849 20 0 DHADLP FCCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000337997267 526285698 /nfs/dbraw/zinc/28/56/98/526285698.db2.gz QADLDIXTAOUVIS-RTBURBONSA-N 2 2 315.436 3.939 20 0 DHADLP c1cc2c(cccc2CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[nH]1 ZINC000337294675 526523171 /nfs/dbraw/zinc/52/31/71/526523171.db2.gz NNHAMLYPCSYBGV-UHFFFAOYSA-N 2 2 316.408 3.686 20 0 DHADLP c1cn(-c2ncccc2C[NH2+][C@H]2CCCCc3ccccc32)c[nH+]1 ZINC000151530201 526527139 /nfs/dbraw/zinc/52/71/39/526527139.db2.gz SYXWDIBSBGQJHV-IBGZPJMESA-N 2 2 318.424 3.825 20 0 DHADLP c1coc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cs2)c1 ZINC000266769238 526562176 /nfs/dbraw/zinc/56/21/76/526562176.db2.gz RVDGHXGIAWQKFL-UHFFFAOYSA-N 2 2 314.414 3.506 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000040592254 536465547 /nfs/dbraw/zinc/46/55/47/536465547.db2.gz VQQPZZOEDKJGLY-VXGBXAGGSA-N 2 2 301.261 3.986 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000040592254 536465550 /nfs/dbraw/zinc/46/55/50/536465550.db2.gz VQQPZZOEDKJGLY-VXGBXAGGSA-N 2 2 301.261 3.986 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C)cc2)cn1 ZINC000126487471 527374243 /nfs/dbraw/zinc/37/42/43/527374243.db2.gz RBDQKSBKDLWAIA-OAHLLOKOSA-N 2 2 306.413 3.735 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2C)cn1 ZINC000126435246 527374365 /nfs/dbraw/zinc/37/43/65/527374365.db2.gz MDWNRYWHLYCEGX-HNNXBMFYSA-N 2 2 306.413 3.735 20 0 DHADLP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000365039023 527662884 /nfs/dbraw/zinc/66/28/84/527662884.db2.gz FRSNMEPDZODVLM-MOKVOYLWSA-N 2 2 315.383 3.958 20 0 DHADLP FC(F)(F)C1CCC(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000365039023 527662888 /nfs/dbraw/zinc/66/28/88/527662888.db2.gz FRSNMEPDZODVLM-MOKVOYLWSA-N 2 2 315.383 3.958 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000180158083 527665896 /nfs/dbraw/zinc/66/58/96/527665896.db2.gz OOJFDANYOMHWMD-CQSZACIVSA-N 2 2 316.367 3.663 20 0 DHADLP Cc1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc(C(C)C)[nH+]1 ZINC001165048814 721975354 /nfs/dbraw/zinc/97/53/54/721975354.db2.gz LKIYRWZMBNSUEW-QGZVFWFLSA-N 2 2 316.493 3.753 20 0 DHADLP CCc1nc(C)c([C@H](C)[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000163787583 1013107734 /nfs/dbraw/zinc/10/77/34/1013107734.db2.gz JPBTUNODYASFNE-LBPRGKRZSA-N 2 2 304.463 3.562 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CCCO2 ZINC000163798464 1013206754 /nfs/dbraw/zinc/20/67/54/1013206754.db2.gz LGJZWFJDZPQKOH-INIZCTEOSA-N 2 2 315.392 3.526 20 0 DHADLP CC(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655681085 1013635090 /nfs/dbraw/zinc/63/50/90/1013635090.db2.gz ZLHAZZAWDGFWGU-UZLBHIALSA-N 2 2 316.489 3.714 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655689219 1013640342 /nfs/dbraw/zinc/64/03/42/1013640342.db2.gz YYHDCYPDELMLBX-MSOLQXFVSA-N 2 2 322.880 3.634 20 0 DHADLP Cc1ccccc1[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000655711768 1013657351 /nfs/dbraw/zinc/65/73/51/1013657351.db2.gz LQXLHQOTFZJJBC-ICSRJNTNSA-N 2 2 316.489 3.535 20 0 DHADLP C1CC([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCCCC2)C1 ZINC000655779361 1013703336 /nfs/dbraw/zinc/70/33/36/1013703336.db2.gz JOPHOUUBPOLAAX-UXHICEINSA-N 2 2 320.521 3.578 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1F ZINC000655789983 1013714523 /nfs/dbraw/zinc/71/45/23/1013714523.db2.gz CYNFDBWGOVFZNF-APWZRJJASA-N 2 2 320.452 3.510 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000317246144 1013760185 /nfs/dbraw/zinc/76/01/85/1013760185.db2.gz MXCBYKIZCLAUAI-CZUORRHYSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000317246144 1013760190 /nfs/dbraw/zinc/76/01/90/1013760190.db2.gz MXCBYKIZCLAUAI-CZUORRHYSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnc2ccsc2c1 ZINC000655849836 1013776882 /nfs/dbraw/zinc/77/68/82/1013776882.db2.gz ZCHDVBGXSOTJGC-YSVLISHTSA-N 2 2 315.486 3.964 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cnc2ccsc2c1 ZINC000655849836 1013776884 /nfs/dbraw/zinc/77/68/84/1013776884.db2.gz ZCHDVBGXSOTJGC-YSVLISHTSA-N 2 2 315.486 3.964 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655847605 1013772494 /nfs/dbraw/zinc/77/24/94/1013772494.db2.gz CIGYBXHORVSEAM-SZMVWBNQSA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655847605 1013772498 /nfs/dbraw/zinc/77/24/98/1013772498.db2.gz CIGYBXHORVSEAM-SZMVWBNQSA-N 2 2 302.462 3.671 20 0 DHADLP c1ccc(-c2cccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2)nc1 ZINC000655854958 1013785771 /nfs/dbraw/zinc/78/57/71/1013785771.db2.gz BLENRALPMLCBOB-NHCUHLMSSA-N 2 2 321.468 3.855 20 0 DHADLP c1ccc(-c2cccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)nc1 ZINC000655854958 1013785774 /nfs/dbraw/zinc/78/57/74/1013785774.db2.gz BLENRALPMLCBOB-NHCUHLMSSA-N 2 2 321.468 3.855 20 0 DHADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000655858279 1013787413 /nfs/dbraw/zinc/78/74/13/1013787413.db2.gz XJSAGHWXPZIEPG-MXNAJAOXSA-N 2 2 306.400 3.585 20 0 DHADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000655858279 1013787419 /nfs/dbraw/zinc/78/74/19/1013787419.db2.gz XJSAGHWXPZIEPG-MXNAJAOXSA-N 2 2 306.400 3.585 20 0 DHADLP CCc1noc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000340438631 1013788775 /nfs/dbraw/zinc/78/87/75/1013788775.db2.gz DDWGPVGRAOOCAL-AUUYWEPGSA-N 2 2 319.493 3.678 20 0 DHADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCn1cc[nH+]c1 ZINC000340468021 1013833829 /nfs/dbraw/zinc/83/38/29/1013833829.db2.gz DFXJLKKAENGKTR-OAHLLOKOSA-N 2 2 310.445 3.710 20 0 DHADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000846826918 1032079175 /nfs/dbraw/zinc/07/91/75/1032079175.db2.gz DRRSQPGTBZXWTI-UHFFFAOYSA-N 2 2 321.424 3.671 20 0 DHADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000846826918 1032079194 /nfs/dbraw/zinc/07/91/94/1032079194.db2.gz DRRSQPGTBZXWTI-UHFFFAOYSA-N 2 2 321.424 3.671 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312772433 1014082336 /nfs/dbraw/zinc/08/23/36/1014082336.db2.gz SWWHPCDWENDDFZ-WCABBAIRSA-N 2 2 307.290 3.873 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000312772433 1014082341 /nfs/dbraw/zinc/08/23/41/1014082341.db2.gz SWWHPCDWENDDFZ-WCABBAIRSA-N 2 2 307.290 3.873 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683940107 1014138100 /nfs/dbraw/zinc/13/81/00/1014138100.db2.gz DNDGSMMHOWPVBL-UQOMUDLDSA-N 2 2 324.921 3.967 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683940107 1014138106 /nfs/dbraw/zinc/13/81/06/1014138106.db2.gz DNDGSMMHOWPVBL-UQOMUDLDSA-N 2 2 324.921 3.967 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683940106 1014138788 /nfs/dbraw/zinc/13/87/88/1014138788.db2.gz DNDGSMMHOWPVBL-REBRKWNGSA-N 2 2 324.921 3.967 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683940106 1014138794 /nfs/dbraw/zinc/13/87/94/1014138794.db2.gz DNDGSMMHOWPVBL-REBRKWNGSA-N 2 2 324.921 3.967 20 0 DHADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(C)o1 ZINC000580813794 1014368377 /nfs/dbraw/zinc/36/83/77/1014368377.db2.gz DPKLJKACASRAOO-INIZCTEOSA-N 2 2 312.457 3.995 20 0 DHADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(C)o1 ZINC000580813794 1014368389 /nfs/dbraw/zinc/36/83/89/1014368389.db2.gz DPKLJKACASRAOO-INIZCTEOSA-N 2 2 312.457 3.995 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000361764782 1032091606 /nfs/dbraw/zinc/09/16/06/1032091606.db2.gz IRKJRJDLQANUPQ-HXUWFJFHSA-N 2 2 318.424 3.817 20 0 DHADLP COC1(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CCCCC1 ZINC000895111783 1014442717 /nfs/dbraw/zinc/44/27/17/1014442717.db2.gz JQORTDUGGDEECY-QAQDUYKDSA-N 2 2 317.477 3.507 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001168010487 1014528451 /nfs/dbraw/zinc/52/84/51/1014528451.db2.gz JSGWMYAVWNIJLB-RMFSNUHRSA-N 2 2 323.484 3.921 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001168010487 1014528460 /nfs/dbraw/zinc/52/84/60/1014528460.db2.gz JSGWMYAVWNIJLB-RMFSNUHRSA-N 2 2 323.484 3.921 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OC(C)(C)C)cc1 ZINC000427851708 1014539587 /nfs/dbraw/zinc/53/95/87/1014539587.db2.gz SLPGRNTYSMSJHF-ZBFHGGJFSA-N 2 2 313.445 3.726 20 0 DHADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1Br ZINC000665248817 1014550530 /nfs/dbraw/zinc/55/05/30/1014550530.db2.gz CXVZBUKSHDYVRS-SNVBAGLBSA-N 2 2 315.230 3.510 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc2c(c1)COC2 ZINC000665249982 1014553032 /nfs/dbraw/zinc/55/30/32/1014553032.db2.gz DCKDUDAGCHEADC-IWMITWMQSA-N 2 2 322.452 3.513 20 0 DHADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccs1 ZINC000665252092 1014562666 /nfs/dbraw/zinc/56/26/66/1014562666.db2.gz GUVVVECNEQQYDL-AXAPSJFSSA-N 2 2 322.424 3.823 20 0 DHADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)o1 ZINC000067250188 1014665495 /nfs/dbraw/zinc/66/54/95/1014665495.db2.gz MUGWDFPQRQKVHL-PBHICJAKSA-N 2 2 307.397 3.879 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)C(C)(C)C ZINC000368000045 1014700480 /nfs/dbraw/zinc/70/04/80/1014700480.db2.gz WORFJGZWWVJNMI-QZTJIDSGSA-N 2 2 303.494 3.708 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C(C)(C)C ZINC000368000045 1014700486 /nfs/dbraw/zinc/70/04/86/1014700486.db2.gz WORFJGZWWVJNMI-QZTJIDSGSA-N 2 2 303.494 3.708 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514468 1014719117 /nfs/dbraw/zinc/71/91/17/1014719117.db2.gz ZWMDGZMTAHYXFW-CRAIPNDOSA-N 2 2 314.429 3.844 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514468 1014719123 /nfs/dbraw/zinc/71/91/23/1014719123.db2.gz ZWMDGZMTAHYXFW-CRAIPNDOSA-N 2 2 314.429 3.844 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514468 1014719134 /nfs/dbraw/zinc/71/91/34/1014719134.db2.gz ZWMDGZMTAHYXFW-CRAIPNDOSA-N 2 2 314.429 3.844 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Oc2ccccc2)o1 ZINC000521514468 1014719139 /nfs/dbraw/zinc/71/91/39/1014719139.db2.gz ZWMDGZMTAHYXFW-CRAIPNDOSA-N 2 2 314.429 3.844 20 0 DHADLP CC[C@H](C[NH2+][C@H](CCCOC)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000442720678 1014724141 /nfs/dbraw/zinc/72/41/41/1014724141.db2.gz UCPKSMXAXXGJKB-RTBURBONSA-N 2 2 322.468 3.757 20 0 DHADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000665293994 1014729336 /nfs/dbraw/zinc/72/93/36/1014729336.db2.gz GMAMXNBXRCLEIK-GJZGRUSLSA-N 2 2 316.420 3.663 20 0 DHADLP C[C@@H]([NH2+]CCOCC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000313248292 1014818347 /nfs/dbraw/zinc/81/83/47/1014818347.db2.gz FPXNMDNHSUWMEG-MRXNPFEDSA-N 2 2 313.445 3.730 20 0 DHADLP Clc1c2ccccc2sc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261745724 1014854594 /nfs/dbraw/zinc/85/45/94/1014854594.db2.gz MLJNEEZZGONWRE-DGCLKSJQSA-N 2 2 306.862 3.739 20 0 DHADLP Clc1c2ccccc2sc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261745724 1014854606 /nfs/dbraw/zinc/85/46/06/1014854606.db2.gz MLJNEEZZGONWRE-DGCLKSJQSA-N 2 2 306.862 3.739 20 0 DHADLP Cc1nc(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000276297777 1014920963 /nfs/dbraw/zinc/92/09/63/1014920963.db2.gz WTFRPTRSQRDWNU-CYBMUJFWSA-N 2 2 312.442 3.531 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCC(F)(F)CC1 ZINC000474060324 1014937150 /nfs/dbraw/zinc/93/71/50/1014937150.db2.gz RFIGOENVWDZQRB-ZFWWWQNUSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCC(F)(F)CC1 ZINC000474060324 1014937160 /nfs/dbraw/zinc/93/71/60/1014937160.db2.gz RFIGOENVWDZQRB-ZFWWWQNUSA-N 2 2 300.437 3.807 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354179 1032106164 /nfs/dbraw/zinc/10/61/64/1032106164.db2.gz IJVSZIDLCUGPTM-UHFFFAOYSA-N 2 2 303.494 3.684 20 0 DHADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480974 1015192806 /nfs/dbraw/zinc/19/28/06/1015192806.db2.gz MRDPPFHQAJRPMA-UHFFFAOYSA-N 2 2 312.432 3.922 20 0 DHADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480974 1015192815 /nfs/dbraw/zinc/19/28/15/1015192815.db2.gz MRDPPFHQAJRPMA-UHFFFAOYSA-N 2 2 312.432 3.922 20 0 DHADLP CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000684377893 1015206811 /nfs/dbraw/zinc/20/68/11/1015206811.db2.gz GLPGDWJMVJNFNQ-KBAYOESNSA-N 2 2 304.478 3.663 20 0 DHADLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc(C)c1O ZINC000895706457 1015266952 /nfs/dbraw/zinc/26/69/52/1015266952.db2.gz LBLMFGLDXBKZNP-LJQANCHMSA-N 2 2 321.424 3.737 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895707285 1015267780 /nfs/dbraw/zinc/26/77/80/1015267780.db2.gz PVEBYJSATQOYEW-UZLBHIALSA-N 2 2 321.424 3.551 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000573387036 1015385807 /nfs/dbraw/zinc/38/58/07/1015385807.db2.gz YJQBGKHBHNWKPO-ZNMIVQPWSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474480514 1015390779 /nfs/dbraw/zinc/39/07/79/1015390779.db2.gz ULKJNQAGTQTGRV-ZDEQEGDKSA-N 2 2 309.866 3.768 20 0 DHADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000424369925 1032116040 /nfs/dbraw/zinc/11/60/40/1032116040.db2.gz RYVNVBWZPIZUBS-OAHLLOKOSA-N 2 2 321.534 3.575 20 0 DHADLP CSCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000891725748 1015570790 /nfs/dbraw/zinc/57/07/90/1015570790.db2.gz UGFKINRPHKXVBE-MRXNPFEDSA-N 2 2 301.459 3.652 20 0 DHADLP CSCc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000891725748 1015570796 /nfs/dbraw/zinc/57/07/96/1015570796.db2.gz UGFKINRPHKXVBE-MRXNPFEDSA-N 2 2 301.459 3.652 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1csc(C(F)(F)F)c1 ZINC000926230592 1015618164 /nfs/dbraw/zinc/61/81/64/1015618164.db2.gz VZQJHUJAXDYUIB-KOLCDFICSA-N 2 2 315.364 3.629 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2Cc3cccnc3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041998 1015619397 /nfs/dbraw/zinc/61/93/97/1015619397.db2.gz XLUSRNUJVNSWAD-XEMDLRDOSA-N 2 2 321.468 3.839 20 0 DHADLP C[C@@H]1C[C@@H]([NH+]2Cc3cccnc3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041998 1015619403 /nfs/dbraw/zinc/61/94/03/1015619403.db2.gz XLUSRNUJVNSWAD-XEMDLRDOSA-N 2 2 321.468 3.839 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+]2Cc3cccnc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041998 1015619408 /nfs/dbraw/zinc/61/94/08/1015619408.db2.gz XLUSRNUJVNSWAD-XEMDLRDOSA-N 2 2 321.468 3.839 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+]2Cc3cccnc3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041998 1015619411 /nfs/dbraw/zinc/61/94/11/1015619411.db2.gz XLUSRNUJVNSWAD-XEMDLRDOSA-N 2 2 321.468 3.839 20 0 DHADLP Fc1ccc(C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000341655175 1015639762 /nfs/dbraw/zinc/63/97/62/1015639762.db2.gz HSEHXOFNNRWMHO-IBGZPJMESA-N 2 2 309.388 3.596 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000474928165 1015708664 /nfs/dbraw/zinc/70/86/64/1015708664.db2.gz SAECNEGGBHBBRE-HEHGZKQESA-N 2 2 303.837 3.633 20 0 DHADLP CCc1cc(NC[C@H]2CCCn3cc(C)[nH+]c32)c2ccccc2[nH+]1 ZINC000443889973 1015782302 /nfs/dbraw/zinc/78/23/02/1015782302.db2.gz SJSJJMIGCDAMIG-OAHLLOKOSA-N 2 2 320.440 3.714 20 0 DHADLP CC[C@H]([NH2+]Cc1ccnc(-c2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000629551060 1015810909 /nfs/dbraw/zinc/81/09/09/1015810909.db2.gz RFDPHADHYRQEJG-OALUTQOASA-N 2 2 309.457 3.759 20 0 DHADLP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341915640 1015841333 /nfs/dbraw/zinc/84/13/33/1015841333.db2.gz WXNHHFAALARJNW-DFQSSKMNSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341915640 1015841336 /nfs/dbraw/zinc/84/13/36/1015841336.db2.gz WXNHHFAALARJNW-DFQSSKMNSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1CC[C@H](C)[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341915640 1015841341 /nfs/dbraw/zinc/84/13/41/1015841341.db2.gz WXNHHFAALARJNW-DFQSSKMNSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1CC[C@H](C)[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341915640 1015841349 /nfs/dbraw/zinc/84/13/49/1015841349.db2.gz WXNHHFAALARJNW-DFQSSKMNSA-N 2 2 316.489 3.540 20 0 DHADLP CC(C)[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341908060 1015843850 /nfs/dbraw/zinc/84/38/50/1015843850.db2.gz CJPQBORXGQPDOO-FQEVSTJZSA-N 2 2 316.489 3.540 20 0 DHADLP CC(C)[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341908060 1015843858 /nfs/dbraw/zinc/84/38/58/1015843858.db2.gz CJPQBORXGQPDOO-FQEVSTJZSA-N 2 2 316.489 3.540 20 0 DHADLP CC(C)[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341908060 1015843863 /nfs/dbraw/zinc/84/38/63/1015843863.db2.gz CJPQBORXGQPDOO-FQEVSTJZSA-N 2 2 316.489 3.540 20 0 DHADLP CC(C)[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000341908060 1015843870 /nfs/dbraw/zinc/84/38/70/1015843870.db2.gz CJPQBORXGQPDOO-FQEVSTJZSA-N 2 2 316.489 3.540 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ccsc2C1 ZINC000361859277 1032131936 /nfs/dbraw/zinc/13/19/36/1032131936.db2.gz BOXPGFMAXIIWHT-UHFFFAOYSA-N 2 2 309.438 3.801 20 0 DHADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000150982277 1016003871 /nfs/dbraw/zinc/00/38/71/1016003871.db2.gz FOYCENYVSUIZIC-LSDHHAIUSA-N 2 2 315.486 3.969 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(F)F)c(F)c2)CC[N@@H+]1C ZINC000892105600 1016233673 /nfs/dbraw/zinc/23/36/73/1016233673.db2.gz ONTHXUQBPJRBTL-AAEUAGOBSA-N 2 2 300.368 3.678 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(F)F)c(F)c2)CC[N@H+]1C ZINC000892105600 1016233676 /nfs/dbraw/zinc/23/36/76/1016233676.db2.gz ONTHXUQBPJRBTL-AAEUAGOBSA-N 2 2 300.368 3.678 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(F)F)c(F)c2)CC[NH+]1C ZINC000892105600 1016233680 /nfs/dbraw/zinc/23/36/80/1016233680.db2.gz ONTHXUQBPJRBTL-AAEUAGOBSA-N 2 2 300.368 3.678 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C(F)F)c(F)c2)CC[NH+]1C ZINC000892105600 1016233686 /nfs/dbraw/zinc/23/36/86/1016233686.db2.gz ONTHXUQBPJRBTL-AAEUAGOBSA-N 2 2 300.368 3.678 20 0 DHADLP CCCOc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(C)c1 ZINC000657324116 1016337283 /nfs/dbraw/zinc/33/72/83/1016337283.db2.gz UCEATYSCOPZNEL-UHFFFAOYSA-N 2 2 301.434 3.550 20 0 DHADLP Fc1cncc([C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C2CC2)c1 ZINC000281250086 1016412120 /nfs/dbraw/zinc/41/21/20/1016412120.db2.gz NWFNCUXJSRQSSO-LJQANCHMSA-N 2 2 322.387 3.647 20 0 DHADLP c1ccc2c(NCc3cc[nH+]c(N4CCCCC4)c3)cc[nH+]c2c1 ZINC000346728414 1016518835 /nfs/dbraw/zinc/51/88/35/1016518835.db2.gz YMCBETSKIUCJMG-UHFFFAOYSA-N 2 2 318.424 3.654 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(Cl)ccc1O ZINC000185074767 1016533111 /nfs/dbraw/zinc/53/31/11/1016533111.db2.gz FDDXEDZVBLPABC-LBPRGKRZSA-N 2 2 308.853 3.571 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000281516809 1016550118 /nfs/dbraw/zinc/55/01/18/1016550118.db2.gz HMTXHRNLGOBPTN-MSOLQXFVSA-N 2 2 324.472 3.903 20 0 DHADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC(C)(C)C3)[nH+]c2)CC1 ZINC000346805008 1016554064 /nfs/dbraw/zinc/55/40/64/1016554064.db2.gz YSYHPQZHRCQZGX-HNNXBMFYSA-N 2 2 316.493 3.603 20 0 DHADLP CC(C)[NH+](CCC[NH2+]Cc1cnc(C(F)(F)F)s1)C(C)C ZINC000443986785 1016571300 /nfs/dbraw/zinc/57/13/00/1016571300.db2.gz WOJCIWRNQBZTPJ-UHFFFAOYSA-N 2 2 323.428 3.760 20 0 DHADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000684845172 1016663489 /nfs/dbraw/zinc/66/34/89/1016663489.db2.gz VTPAQQXVYGBSBT-CQSZACIVSA-N 2 2 310.869 3.703 20 0 DHADLP COc1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000684845172 1016663496 /nfs/dbraw/zinc/66/34/96/1016663496.db2.gz VTPAQQXVYGBSBT-CQSZACIVSA-N 2 2 310.869 3.703 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185224761 1016770635 /nfs/dbraw/zinc/77/06/35/1016770635.db2.gz OMVDPSJUUDCDHP-ZDUSSCGKSA-N 2 2 310.869 3.961 20 0 DHADLP c1csc(-c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000657439764 1016809658 /nfs/dbraw/zinc/80/96/58/1016809658.db2.gz FWJKKHWHSONRMG-MRXNPFEDSA-N 2 2 309.438 3.716 20 0 DHADLP Clc1ccc(CCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000342603036 1016842300 /nfs/dbraw/zinc/84/23/00/1016842300.db2.gz WYSGJELOWMBDNO-UHFFFAOYSA-N 2 2 303.837 3.875 20 0 DHADLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185384375 1016891704 /nfs/dbraw/zinc/89/17/04/1016891704.db2.gz KPZIDOIVUYYBQX-ZDUSSCGKSA-N 2 2 308.853 3.737 20 0 DHADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2[nH]1 ZINC000623356956 1016985531 /nfs/dbraw/zinc/98/55/31/1016985531.db2.gz QIARTXXZXBSPJH-YOEHRIQHSA-N 2 2 314.477 3.722 20 0 DHADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc2ccccc2[nH]1 ZINC000623356956 1016985538 /nfs/dbraw/zinc/98/55/38/1016985538.db2.gz QIARTXXZXBSPJH-YOEHRIQHSA-N 2 2 314.477 3.722 20 0 DHADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000262436796 1017007371 /nfs/dbraw/zinc/00/73/71/1017007371.db2.gz GKVDRYDGUVSVSC-XOKHGSTOSA-N 2 2 322.880 3.749 20 0 DHADLP Cc1cccc(C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)c1 ZINC000152823896 1017021772 /nfs/dbraw/zinc/02/17/72/1017021772.db2.gz RBEAZJOXTQHYQT-FQEVSTJZSA-N 2 2 323.484 3.681 20 0 DHADLP C[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cc(F)cc(F)c1 ZINC000294801476 1032160266 /nfs/dbraw/zinc/16/02/66/1032160266.db2.gz LKPVCOOYZOXFGN-OLZOCXBDSA-N 2 2 305.372 3.671 20 0 DHADLP C[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cc(F)cc(F)c1 ZINC000294801476 1032160274 /nfs/dbraw/zinc/16/02/74/1032160274.db2.gz LKPVCOOYZOXFGN-OLZOCXBDSA-N 2 2 305.372 3.671 20 0 DHADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000294889990 1032196924 /nfs/dbraw/zinc/19/69/24/1032196924.db2.gz YIXHLSSUQBNKEJ-RTBURBONSA-N 2 2 314.473 3.515 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2O1 ZINC000295061043 1032261909 /nfs/dbraw/zinc/26/19/09/1032261909.db2.gz OGUPHJMHUXPCEZ-DNVCBOLYSA-N 2 2 319.408 3.874 20 0 DHADLP Clc1ccc(C2CCC([NH2+]CCn3cc[nH+]c3)CC2)cc1 ZINC001168334012 1032336751 /nfs/dbraw/zinc/33/67/51/1032336751.db2.gz IGLAWYCSNMYNDA-UHFFFAOYSA-N 2 2 303.837 3.853 20 0 DHADLP Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090762847 1032416699 /nfs/dbraw/zinc/41/66/99/1032416699.db2.gz DTFIRGKSUQRZSL-UONOGXRCSA-N 2 2 324.428 3.931 20 0 DHADLP Cc1ncccc1C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121801826 1032481325 /nfs/dbraw/zinc/48/13/25/1032481325.db2.gz NOMRLHQTDSBWMR-FQEVSTJZSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1ncccc1C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121801826 1032481330 /nfs/dbraw/zinc/48/13/30/1032481330.db2.gz NOMRLHQTDSBWMR-FQEVSTJZSA-N 2 2 309.457 3.534 20 0 DHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1F ZINC000348183121 1032491664 /nfs/dbraw/zinc/49/16/64/1032491664.db2.gz AJWDCYNZEKRTHX-HNNXBMFYSA-N 2 2 309.388 3.921 20 0 DHADLP c1cn(C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)c[nH+]1 ZINC000092648717 1032505076 /nfs/dbraw/zinc/50/50/76/1032505076.db2.gz JWSHCZATBZVKKN-UHFFFAOYSA-N 2 2 318.424 3.782 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171345504 1032505914 /nfs/dbraw/zinc/50/59/14/1032505914.db2.gz JLXUERFNUBVJPQ-YOEHRIQHSA-N 2 2 322.443 3.532 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCC3)s2)[C@H](C)C1 ZINC000093639627 1032550040 /nfs/dbraw/zinc/55/00/40/1032550040.db2.gz XQDRYVGBZKUULY-CZUORRHYSA-N 2 2 307.507 3.573 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCC3)s2)[C@H](C)C1 ZINC000093639627 1032550045 /nfs/dbraw/zinc/55/00/45/1032550045.db2.gz XQDRYVGBZKUULY-CZUORRHYSA-N 2 2 307.507 3.573 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CCC3)s2)[C@H](C)C1 ZINC000093639627 1032550050 /nfs/dbraw/zinc/55/00/50/1032550050.db2.gz XQDRYVGBZKUULY-CZUORRHYSA-N 2 2 307.507 3.573 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)[C@H](C)C1 ZINC000093639627 1032550055 /nfs/dbraw/zinc/55/00/55/1032550055.db2.gz XQDRYVGBZKUULY-CZUORRHYSA-N 2 2 307.507 3.573 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3cccs3)s2)CC[N@@H+]1C ZINC000093644563 1032548951 /nfs/dbraw/zinc/54/89/51/1032548951.db2.gz VFCQGMIAYGAFDB-CHWSQXEVSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3cccs3)s2)CC[N@H+]1C ZINC000093644563 1032548958 /nfs/dbraw/zinc/54/89/58/1032548958.db2.gz VFCQGMIAYGAFDB-CHWSQXEVSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(-c3cccs3)s2)CC[NH+]1C ZINC000093644563 1032548962 /nfs/dbraw/zinc/54/89/62/1032548962.db2.gz VFCQGMIAYGAFDB-CHWSQXEVSA-N 2 2 321.515 3.786 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3cccs3)s2)CC[NH+]1C ZINC000093644563 1032548965 /nfs/dbraw/zinc/54/89/65/1032548965.db2.gz VFCQGMIAYGAFDB-CHWSQXEVSA-N 2 2 321.515 3.786 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(CC(C)C)s2)C1 ZINC000093753249 1032553608 /nfs/dbraw/zinc/55/36/08/1032553608.db2.gz DITMLONDTLMOFY-OAHLLOKOSA-N 2 2 309.523 3.505 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(CC(C)C)s2)C1 ZINC000093753249 1032553616 /nfs/dbraw/zinc/55/36/16/1032553616.db2.gz DITMLONDTLMOFY-OAHLLOKOSA-N 2 2 309.523 3.505 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000093753249 1032553623 /nfs/dbraw/zinc/55/36/23/1032553623.db2.gz DITMLONDTLMOFY-OAHLLOKOSA-N 2 2 309.523 3.505 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000093753249 1032553629 /nfs/dbraw/zinc/55/36/29/1032553629.db2.gz DITMLONDTLMOFY-OAHLLOKOSA-N 2 2 309.523 3.505 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093742041 1032554917 /nfs/dbraw/zinc/55/49/17/1032554917.db2.gz ATRUDXALJKIYRO-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093742041 1032554925 /nfs/dbraw/zinc/55/49/25/1032554925.db2.gz ATRUDXALJKIYRO-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093742041 1032554928 /nfs/dbraw/zinc/55/49/28/1032554928.db2.gz ATRUDXALJKIYRO-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093742041 1032554934 /nfs/dbraw/zinc/55/49/34/1032554934.db2.gz ATRUDXALJKIYRO-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccccn1 ZINC000152407864 1032590553 /nfs/dbraw/zinc/59/05/53/1032590553.db2.gz SLFLUBCLGIGBCP-GJYPPUQNSA-N 2 2 301.478 3.775 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1Br ZINC000643546008 1012089429 /nfs/dbraw/zinc/08/94/29/1012089429.db2.gz HAJUQYIBZOJHGZ-CHWSQXEVSA-N 2 2 323.278 3.774 20 0 DHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001206767652 1012206036 /nfs/dbraw/zinc/20/60/36/1012206036.db2.gz DCLZTBJQMPMLJA-ZJUUUORDSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001206767652 1012206045 /nfs/dbraw/zinc/20/60/45/1012206045.db2.gz DCLZTBJQMPMLJA-ZJUUUORDSA-N 2 2 322.321 3.543 20 0 DHADLP CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154669613 1012924432 /nfs/dbraw/zinc/92/44/32/1012924432.db2.gz OBHWBBPXYBGPFU-IAGOWNOFSA-N 2 2 315.461 3.568 20 0 DHADLP CC(C)C[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475350030 1017159844 /nfs/dbraw/zinc/15/98/44/1017159844.db2.gz PVMPJXHMJNWDND-GRTSSRMGSA-N 2 2 306.416 3.816 20 0 DHADLP CC(C)(C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1F ZINC000179676624 1017285870 /nfs/dbraw/zinc/28/58/70/1017285870.db2.gz RXKBFIOGMCPUHJ-MRXNPFEDSA-N 2 2 307.388 3.928 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CS1 ZINC000655717742 1017365384 /nfs/dbraw/zinc/36/53/84/1017365384.db2.gz IKLDJCLAAYLLPE-HYVNUMGLSA-N 2 2 315.486 3.578 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000657564766 1017399607 /nfs/dbraw/zinc/39/96/07/1017399607.db2.gz ZYOJDICSPHLNRP-RUXDESIVSA-N 2 2 306.416 3.818 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000657564766 1017399617 /nfs/dbraw/zinc/39/96/17/1017399617.db2.gz ZYOJDICSPHLNRP-RUXDESIVSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@H]1C[C@@H]([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)CCO1 ZINC001168072631 1017441328 /nfs/dbraw/zinc/44/13/28/1017441328.db2.gz VMGXRIMHHUTRRC-KCUHQSDYSA-N 2 2 310.441 3.585 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623778236 1017456230 /nfs/dbraw/zinc/45/62/30/1017456230.db2.gz JQGCAPZSSPHAGO-UHFFFAOYSA-N 2 2 315.364 3.518 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCc3scnc32)c[nH+]1 ZINC000623858174 1017535555 /nfs/dbraw/zinc/53/55/55/1017535555.db2.gz DYPZZPICBHXLLV-MRXNPFEDSA-N 2 2 324.453 3.555 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857900867 1032707400 /nfs/dbraw/zinc/70/74/00/1032707400.db2.gz FLLGQULSWCKEMS-HIFRSBDPSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857900867 1032707403 /nfs/dbraw/zinc/70/74/03/1032707403.db2.gz FLLGQULSWCKEMS-HIFRSBDPSA-N 2 2 307.869 3.576 20 0 DHADLP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCCc3scnc32)ccc1F ZINC000623895139 1017562258 /nfs/dbraw/zinc/56/22/58/1017562258.db2.gz JNHZFEPXBJSAEB-HNNXBMFYSA-N 2 2 319.449 3.511 20 0 DHADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657617323 1017580446 /nfs/dbraw/zinc/58/04/46/1017580446.db2.gz ROTYOMREIAFJDC-SCLBCKFNSA-N 2 2 309.438 3.752 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(C)ccc1C ZINC000624014778 1017638271 /nfs/dbraw/zinc/63/82/71/1017638271.db2.gz HGCRXQRKSVLACV-AZUAARDMSA-N 2 2 316.489 3.597 20 0 DHADLP Cc1cccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)c1 ZINC000624014565 1017638458 /nfs/dbraw/zinc/63/84/58/1017638458.db2.gz AUIKAJDYAPWTHY-VQTJNVASSA-N 2 2 316.489 3.535 20 0 DHADLP CCC[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)OCC ZINC000624048028 1017656807 /nfs/dbraw/zinc/65/68/07/1017656807.db2.gz AGNDGVIBSQDVBF-YJBOKZPZSA-N 2 2 301.434 3.728 20 0 DHADLP CCCc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)nc(CCC)[nH+]1 ZINC001167625872 1017721497 /nfs/dbraw/zinc/72/14/97/1017721497.db2.gz RARLAQWRWXXTRT-UHFFFAOYSA-N 2 2 318.509 3.866 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CCC(F)(F)CC1 ZINC000624188582 1017761598 /nfs/dbraw/zinc/76/15/98/1017761598.db2.gz XMDGAEUFKQHUTI-XJKSGUPXSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CCC(F)(F)CC1 ZINC000624188582 1017761618 /nfs/dbraw/zinc/76/16/18/1017761618.db2.gz XMDGAEUFKQHUTI-XJKSGUPXSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C[N@@H+]1C1CC1 ZINC000120713361 1017785451 /nfs/dbraw/zinc/78/54/51/1017785451.db2.gz VEECMHCVSYLMSQ-SWLSCSKDSA-N 2 2 317.864 3.579 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3cc(Cl)ccc23)C[N@H+]1C1CC1 ZINC000120713361 1017785469 /nfs/dbraw/zinc/78/54/69/1017785469.db2.gz VEECMHCVSYLMSQ-SWLSCSKDSA-N 2 2 317.864 3.579 20 0 DHADLP CCc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000120986921 1017836194 /nfs/dbraw/zinc/83/61/94/1017836194.db2.gz BUCNUWRJRDKJQL-ZDUSSCGKSA-N 2 2 304.409 3.894 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000079462613 1018021846 /nfs/dbraw/zinc/02/18/46/1018021846.db2.gz UBFXRHCPMDWBTK-CXAGYDPISA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000079462613 1018021865 /nfs/dbraw/zinc/02/18/65/1018021865.db2.gz UBFXRHCPMDWBTK-CXAGYDPISA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000079462613 1018021879 /nfs/dbraw/zinc/02/18/79/1018021879.db2.gz UBFXRHCPMDWBTK-CXAGYDPISA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000079462613 1018021901 /nfs/dbraw/zinc/02/19/01/1018021901.db2.gz UBFXRHCPMDWBTK-CXAGYDPISA-N 2 2 310.869 3.511 20 0 DHADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000126317488 1032741315 /nfs/dbraw/zinc/74/13/15/1032741315.db2.gz SXZWWXLTYSZAIP-OAHLLOKOSA-N 2 2 320.440 3.989 20 0 DHADLP CCc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000126317711 1032741874 /nfs/dbraw/zinc/74/18/74/1032741874.db2.gz SXZWWXLTYSZAIP-HNNXBMFYSA-N 2 2 320.440 3.989 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)[nH+]c2c1 ZINC000428156767 1018104288 /nfs/dbraw/zinc/10/42/88/1018104288.db2.gz NUOMOMOFIYDOJP-QFBILLFUSA-N 2 2 309.457 3.772 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)[nH+]c2c1 ZINC000428156767 1018104297 /nfs/dbraw/zinc/10/42/97/1018104297.db2.gz NUOMOMOFIYDOJP-QFBILLFUSA-N 2 2 309.457 3.772 20 0 DHADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC001168530697 1018175532 /nfs/dbraw/zinc/17/55/32/1018175532.db2.gz PQDFTHOEXRFIFQ-HLIPFELVSA-N 2 2 300.490 3.575 20 0 DHADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCC(F)CC1 ZINC000657743403 1018206386 /nfs/dbraw/zinc/20/63/86/1018206386.db2.gz IEMKARWXBNXOCF-HSBZDZAISA-N 2 2 307.438 3.940 20 0 DHADLP CO[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000154964017 1018228348 /nfs/dbraw/zinc/22/83/48/1018228348.db2.gz GJPFLSKXYBAYFV-WMLDXEAASA-N 2 2 301.434 3.584 20 0 DHADLP COc1ccc(Cl)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263676125 1032751987 /nfs/dbraw/zinc/75/19/87/1032751987.db2.gz HGEUSQFVFAUMGB-UHFFFAOYSA-N 2 2 310.869 3.653 20 0 DHADLP COc1ccc(Cl)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263676125 1032752004 /nfs/dbraw/zinc/75/20/04/1032752004.db2.gz HGEUSQFVFAUMGB-UHFFFAOYSA-N 2 2 310.869 3.653 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000360044627 1018278585 /nfs/dbraw/zinc/27/85/85/1018278585.db2.gz GOGALOUZJVSJBA-KGLIPLIRSA-N 2 2 312.442 3.746 20 0 DHADLP Fc1ccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000428463380 1018318458 /nfs/dbraw/zinc/31/84/58/1018318458.db2.gz PQNRQEMWDDTEPW-ZDUSSCGKSA-N 2 2 307.800 3.624 20 0 DHADLP Fc1ccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000428463380 1018318468 /nfs/dbraw/zinc/31/84/68/1018318468.db2.gz PQNRQEMWDDTEPW-ZDUSSCGKSA-N 2 2 307.800 3.624 20 0 DHADLP CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000447078758 1018325545 /nfs/dbraw/zinc/32/55/45/1018325545.db2.gz RFHXTYOXJIXQBN-LJQANCHMSA-N 2 2 313.445 3.653 20 0 DHADLP CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000447078758 1018325549 /nfs/dbraw/zinc/32/55/49/1018325549.db2.gz RFHXTYOXJIXQBN-LJQANCHMSA-N 2 2 313.445 3.653 20 0 DHADLP Clc1cccc(Cl)c1C1([NH2+]CCn2cc[nH+]c2)CCC1 ZINC000447383056 1018384699 /nfs/dbraw/zinc/38/46/99/1018384699.db2.gz KIDBYRDWSWXOAH-UHFFFAOYSA-N 2 2 310.228 3.859 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1F ZINC000692324062 1018418644 /nfs/dbraw/zinc/41/86/44/1018418644.db2.gz YCQXMOMEPYZMSJ-VIFPVBQESA-N 2 2 305.224 3.877 20 0 DHADLP CCCC[NH+](CCCC)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168356047 1032766822 /nfs/dbraw/zinc/76/68/22/1032766822.db2.gz JQDJHVYQDQINCA-UHFFFAOYSA-N 3 2 323.569 3.743 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H]2CCOc3c(Cl)cccc32)CC1 ZINC000675734059 1018568501 /nfs/dbraw/zinc/56/85/01/1018568501.db2.gz YYPPJFHEZVEWJL-INIZCTEOSA-N 2 2 308.853 3.628 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cccnc2)CC1 ZINC000675812757 1018599371 /nfs/dbraw/zinc/59/93/71/1018599371.db2.gz XWOHEJOSLDPZCY-HXUWFJFHSA-N 2 2 309.457 3.635 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000675833576 1018605019 /nfs/dbraw/zinc/60/50/19/1018605019.db2.gz MOMFZATZMVRQMB-IIBYNOLFSA-N 2 2 321.468 3.884 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(-c2ccncc2)cc1 ZINC000675833576 1018605029 /nfs/dbraw/zinc/60/50/29/1018605029.db2.gz MOMFZATZMVRQMB-IIBYNOLFSA-N 2 2 321.468 3.884 20 0 DHADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261643347 1018620015 /nfs/dbraw/zinc/62/00/15/1018620015.db2.gz XEEHBWIUYSHTHL-JKSUJKDBSA-N 2 2 323.278 3.586 20 0 DHADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261643347 1018620036 /nfs/dbraw/zinc/62/00/36/1018620036.db2.gz XEEHBWIUYSHTHL-JKSUJKDBSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000151125297 1018657213 /nfs/dbraw/zinc/65/72/13/1018657213.db2.gz JGVGXYBYJXUVOK-INIZCTEOSA-N 2 2 306.413 3.686 20 0 DHADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1Br ZINC000151162384 1018702673 /nfs/dbraw/zinc/70/26/73/1018702673.db2.gz VJKVFCUNOAWGCP-OAHLLOKOSA-N 2 2 322.250 3.777 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cccc(Br)c1 ZINC000746048538 1032779980 /nfs/dbraw/zinc/77/99/80/1032779980.db2.gz BNGSDTOKRJPWMX-QWHCGFSZSA-N 2 2 311.267 3.584 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cccc(Br)c1 ZINC000746048538 1032779997 /nfs/dbraw/zinc/77/99/97/1032779997.db2.gz BNGSDTOKRJPWMX-QWHCGFSZSA-N 2 2 311.267 3.584 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)cc1 ZINC000765255079 1018737727 /nfs/dbraw/zinc/73/77/27/1018737727.db2.gz PDJKSEFAAHSQLQ-BBWFWOEESA-N 2 2 304.478 3.651 20 0 DHADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncccc1Cl ZINC000926541555 1018784708 /nfs/dbraw/zinc/78/47/08/1018784708.db2.gz MLIDLYFQMMSYMZ-NQKGRLOXSA-N 2 2 307.869 3.791 20 0 DHADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncccc1Cl ZINC000926541555 1018784729 /nfs/dbraw/zinc/78/47/29/1018784729.db2.gz MLIDLYFQMMSYMZ-NQKGRLOXSA-N 2 2 307.869 3.791 20 0 DHADLP COc1ccc2c(NCCCCNc3cccc[nH+]3)cc[nH+]c2c1 ZINC000765485954 1018807424 /nfs/dbraw/zinc/80/74/24/1018807424.db2.gz OAGCVWQNGXBKTK-UHFFFAOYSA-N 2 2 322.412 3.943 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657814717 1018816585 /nfs/dbraw/zinc/81/65/85/1018816585.db2.gz BUEOBZPKOCCGDW-ZWKOTPCHSA-N 2 2 306.519 3.945 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+](CC)CC)CCO1 ZINC000315895788 1018861603 /nfs/dbraw/zinc/86/16/03/1018861603.db2.gz BYGKAYVRDPZIPK-OTWHNJEPSA-N 2 2 304.478 3.617 20 0 DHADLP C[C@H]([NH2+]Cc1cccc2c1OCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000921798100 1018864701 /nfs/dbraw/zinc/86/47/01/1018864701.db2.gz DLWOYFODZJWLQO-HNNXBMFYSA-N 2 2 319.408 3.658 20 0 DHADLP C[NH+]1C(C)(C)CC([NH+]2CCC([NH+]3CCCCC3)CC2)CC1(C)C ZINC001171629470 1032795609 /nfs/dbraw/zinc/79/56/09/1032795609.db2.gz SAZVETHQWRNUOG-UHFFFAOYSA-N 3 2 321.553 3.588 20 0 DHADLP c1cn(-c2csc(C[NH2+]CC[C@@H]3CCC4(CCC4)O3)c2)c[nH+]1 ZINC000922967963 1018954230 /nfs/dbraw/zinc/95/42/30/1018954230.db2.gz QQQZORNWWCQJJR-HNNXBMFYSA-N 2 2 317.458 3.515 20 0 DHADLP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](Cc4cccnc4)CC[C@@H]32)cc1 ZINC000159052946 1018989090 /nfs/dbraw/zinc/98/90/90/1018989090.db2.gz LVOHIZFOKBONNH-SFTDATJTSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](Cc4cccnc4)CC[C@@H]32)cc1 ZINC000159052946 1018989098 /nfs/dbraw/zinc/98/90/98/1018989098.db2.gz LVOHIZFOKBONNH-SFTDATJTSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](Cc4cccnc4)CC[C@@H]32)cc1 ZINC000159052946 1018989104 /nfs/dbraw/zinc/98/91/04/1018989104.db2.gz LVOHIZFOKBONNH-SFTDATJTSA-N 2 2 321.468 3.568 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](Cc4cccnc4)CC[C@@H]32)cc1 ZINC000159052946 1018989110 /nfs/dbraw/zinc/98/91/10/1018989110.db2.gz LVOHIZFOKBONNH-SFTDATJTSA-N 2 2 321.468 3.568 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+](CC2CCCCC2)C2CC2)s1 ZINC000347672923 1019066760 /nfs/dbraw/zinc/06/67/60/1019066760.db2.gz RUIJYPFKADKTST-UHFFFAOYSA-N 2 2 307.507 3.749 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+](CC2CCCCC2)C2CC2)s1 ZINC000347672923 1019066777 /nfs/dbraw/zinc/06/67/77/1019066777.db2.gz RUIJYPFKADKTST-UHFFFAOYSA-N 2 2 307.507 3.749 20 0 DHADLP c1csc(-c2cnc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080974137 1019138495 /nfs/dbraw/zinc/13/84/95/1019138495.db2.gz KQDKSNLZMRXYCP-GFCCVEGCSA-N 2 2 314.414 3.506 20 0 DHADLP c1csc(-c2cnc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080974137 1019138503 /nfs/dbraw/zinc/13/85/03/1019138503.db2.gz KQDKSNLZMRXYCP-GFCCVEGCSA-N 2 2 314.414 3.506 20 0 DHADLP COc1cccc([C@@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000081668659 1019214799 /nfs/dbraw/zinc/21/47/99/1019214799.db2.gz WLFTXKBSJXAQSW-MRXNPFEDSA-N 2 2 302.462 3.707 20 0 DHADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000347921522 1019228361 /nfs/dbraw/zinc/22/83/61/1019228361.db2.gz BTBZBFQSCVBBII-DOMZBBRYSA-N 2 2 307.507 3.503 20 0 DHADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000347921522 1019228371 /nfs/dbraw/zinc/22/83/71/1019228371.db2.gz BTBZBFQSCVBBII-DOMZBBRYSA-N 2 2 307.507 3.503 20 0 DHADLP c1cn(Cc2ccc(C[NH2+]Cc3scnc3C3CC3)cc2)c[nH+]1 ZINC000486945026 1019354949 /nfs/dbraw/zinc/35/49/49/1019354949.db2.gz XTJGOTILKFWPTI-UHFFFAOYSA-N 2 2 324.453 3.555 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC000090452426 1019389806 /nfs/dbraw/zinc/38/98/06/1019389806.db2.gz DLNFFEYRTVVIDY-KXBFYZLASA-N 2 2 319.408 3.965 20 0 DHADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc2n1 ZINC000172418684 1019426617 /nfs/dbraw/zinc/42/66/17/1019426617.db2.gz NKKLZNKYSCXXLS-UHFFFAOYSA-N 2 2 306.413 3.577 20 0 DHADLP COc1ccc([C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000091334412 1019460298 /nfs/dbraw/zinc/46/02/98/1019460298.db2.gz XXQZDMIIIMPRJR-XLIONFOSSA-N 2 2 314.473 3.753 20 0 DHADLP COc1ccc([C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000091334412 1019460306 /nfs/dbraw/zinc/46/03/06/1019460306.db2.gz XXQZDMIIIMPRJR-XLIONFOSSA-N 2 2 314.473 3.753 20 0 DHADLP Cc1c(Cl)ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1Cl ZINC000922140611 1019509191 /nfs/dbraw/zinc/50/91/91/1019509191.db2.gz WOOMZRAVMANSBY-NSHDSACASA-N 2 2 310.228 3.672 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cccc(-c3ccccc3)c1)CC2 ZINC000494432454 1019562595 /nfs/dbraw/zinc/56/25/95/1019562595.db2.gz TZKKRTMIIMVIDQ-LJQANCHMSA-N 2 2 303.409 3.655 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CCC3)s2)C1 ZINC000093753050 1019580724 /nfs/dbraw/zinc/58/07/24/1019580724.db2.gz AAOHCNLLEGYOQI-AWEZNQCLSA-N 2 2 307.507 3.574 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CCC3)s2)C1 ZINC000093753050 1019580731 /nfs/dbraw/zinc/58/07/31/1019580731.db2.gz AAOHCNLLEGYOQI-AWEZNQCLSA-N 2 2 307.507 3.574 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000093753050 1019580735 /nfs/dbraw/zinc/58/07/35/1019580735.db2.gz AAOHCNLLEGYOQI-AWEZNQCLSA-N 2 2 307.507 3.574 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000093753050 1019580745 /nfs/dbraw/zinc/58/07/45/1019580745.db2.gz AAOHCNLLEGYOQI-AWEZNQCLSA-N 2 2 307.507 3.574 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOc2ccccc2C1 ZINC000683004908 1019713025 /nfs/dbraw/zinc/71/30/25/1019713025.db2.gz MMMBAKSSTCHMDQ-UHFFFAOYSA-N 2 2 319.408 3.575 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOc2ccccc2C1 ZINC000683004908 1019713042 /nfs/dbraw/zinc/71/30/42/1019713042.db2.gz MMMBAKSSTCHMDQ-UHFFFAOYSA-N 2 2 319.408 3.575 20 0 DHADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@H]2CCCSCC2)cc1 ZINC000657882166 1019736079 /nfs/dbraw/zinc/73/60/79/1019736079.db2.gz JOMLNOOWPRPNBL-ZWKOTPCHSA-N 2 2 304.503 3.526 20 0 DHADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@H]2CCCSCC2)cc1 ZINC000657882166 1019736096 /nfs/dbraw/zinc/73/60/96/1019736096.db2.gz JOMLNOOWPRPNBL-ZWKOTPCHSA-N 2 2 304.503 3.526 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(C)(C)C(F)F ZINC000657882799 1019736510 /nfs/dbraw/zinc/73/65/10/1019736510.db2.gz MSMIDNRWHFGPIF-GOEBONIOSA-N 2 2 310.432 3.920 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C(C)(C)C(F)F ZINC000657882799 1019736524 /nfs/dbraw/zinc/73/65/24/1019736524.db2.gz MSMIDNRWHFGPIF-GOEBONIOSA-N 2 2 310.432 3.920 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657880969 1019737335 /nfs/dbraw/zinc/73/73/35/1019737335.db2.gz LQNINEXZHOAQOV-NVXWUHKLSA-N 2 2 306.519 3.991 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]2C2CCCCC2)s1 ZINC000347610507 1019781984 /nfs/dbraw/zinc/78/19/84/1019781984.db2.gz LRVJIWFCECPJEF-INIZCTEOSA-N 2 2 307.507 3.749 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]2C2CCCCC2)s1 ZINC000347610507 1019781995 /nfs/dbraw/zinc/78/19/95/1019781995.db2.gz LRVJIWFCECPJEF-INIZCTEOSA-N 2 2 307.507 3.749 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1F ZINC000063549010 1019809461 /nfs/dbraw/zinc/80/94/61/1019809461.db2.gz ZTHQDYCLLGBXKR-UHFFFAOYSA-N 2 2 319.767 3.856 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(OC)c1F ZINC000685462773 1019843228 /nfs/dbraw/zinc/84/32/28/1019843228.db2.gz YKDAAGWAYHUMSK-UHFFFAOYSA-N 2 2 319.424 3.505 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(OC)c1F ZINC000685462773 1019843249 /nfs/dbraw/zinc/84/32/49/1019843249.db2.gz YKDAAGWAYHUMSK-UHFFFAOYSA-N 2 2 319.424 3.505 20 0 DHADLP Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1F ZINC000067120172 1019973837 /nfs/dbraw/zinc/97/38/37/1019973837.db2.gz OUNTZXGTVFSUQK-UHFFFAOYSA-N 2 2 309.388 3.669 20 0 DHADLP CS[C@@H]1CCC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000922335282 1020011513 /nfs/dbraw/zinc/01/15/13/1020011513.db2.gz JZQXNBCDIMHEDB-RCCFBDPRSA-N 2 2 315.486 3.888 20 0 DHADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000685662353 1020023548 /nfs/dbraw/zinc/02/35/48/1020023548.db2.gz WWGCAOFAZYTYAA-SMDDNHRTSA-N 2 2 322.239 3.851 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(C(F)F)nc1 ZINC000657999143 1020085114 /nfs/dbraw/zinc/08/51/14/1020085114.db2.gz FTGOFOQYRRYKMB-LRVUVFPRSA-N 2 2 309.404 3.687 20 0 DHADLP COCCC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000658096497 1020140881 /nfs/dbraw/zinc/14/08/81/1020140881.db2.gz QLCPDSYPCVLIRD-ROUUACIJSA-N 2 2 322.468 3.756 20 0 DHADLP COCCC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(F)cc1 ZINC000658096497 1020140888 /nfs/dbraw/zinc/14/08/88/1020140888.db2.gz QLCPDSYPCVLIRD-ROUUACIJSA-N 2 2 322.468 3.756 20 0 DHADLP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390555092 1020206617 /nfs/dbraw/zinc/20/66/17/1020206617.db2.gz GQHCJNNTGNKMMW-FQEVSTJZSA-N 2 2 324.468 3.840 20 0 DHADLP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390555092 1020206625 /nfs/dbraw/zinc/20/66/25/1020206625.db2.gz GQHCJNNTGNKMMW-FQEVSTJZSA-N 2 2 324.468 3.840 20 0 DHADLP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390580861 1020208908 /nfs/dbraw/zinc/20/89/08/1020208908.db2.gz ZNUDIUBRIYNBIF-FQEVSTJZSA-N 2 2 312.432 3.888 20 0 DHADLP Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390580861 1020208918 /nfs/dbraw/zinc/20/89/18/1020208918.db2.gz ZNUDIUBRIYNBIF-FQEVSTJZSA-N 2 2 312.432 3.888 20 0 DHADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1OC1CC1 ZINC000347732041 1020266487 /nfs/dbraw/zinc/26/64/87/1020266487.db2.gz ANRJMNGTTCNQNY-QGZVFWFLSA-N 2 2 302.462 3.534 20 0 DHADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1OC1CC1 ZINC000347732041 1020266493 /nfs/dbraw/zinc/26/64/93/1020266493.db2.gz ANRJMNGTTCNQNY-QGZVFWFLSA-N 2 2 302.462 3.534 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1OC1CC1 ZINC000347732041 1020266501 /nfs/dbraw/zinc/26/65/01/1020266501.db2.gz ANRJMNGTTCNQNY-QGZVFWFLSA-N 2 2 302.462 3.534 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1OC1CC1 ZINC000347732041 1020266506 /nfs/dbraw/zinc/26/65/06/1020266506.db2.gz ANRJMNGTTCNQNY-QGZVFWFLSA-N 2 2 302.462 3.534 20 0 DHADLP CC[NH+](CC)C[C@H]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000090099930 1020326066 /nfs/dbraw/zinc/32/60/66/1020326066.db2.gz WUCAMXLVKLHFBX-MRXNPFEDSA-N 2 2 318.509 3.892 20 0 DHADLP C[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)(C)C ZINC000766004845 1020340578 /nfs/dbraw/zinc/34/05/78/1020340578.db2.gz HLGKCGKBFCXBBA-MRXNPFEDSA-N 2 2 317.521 3.993 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000347784467 1020420675 /nfs/dbraw/zinc/42/06/75/1020420675.db2.gz OPMFTSZNFOZSBP-IBGZPJMESA-N 2 2 315.505 3.732 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000347784467 1020420679 /nfs/dbraw/zinc/42/06/79/1020420679.db2.gz OPMFTSZNFOZSBP-IBGZPJMESA-N 2 2 315.505 3.732 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]C(C2CCC2)C2CCC2)c[nH+]1 ZINC000338686075 1020457739 /nfs/dbraw/zinc/45/77/39/1020457739.db2.gz CQIUCQUAUNFQAP-UHFFFAOYSA-N 2 2 309.457 3.990 20 0 DHADLP CC[N@@H+](CC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)C1CC1 ZINC000474607945 1020508666 /nfs/dbraw/zinc/50/86/66/1020508666.db2.gz QEHDZOUPZYCVCC-IYXRBSQSSA-N 2 2 306.416 3.818 20 0 DHADLP CC[N@H+](CC[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)C1CC1 ZINC000474607945 1020508659 /nfs/dbraw/zinc/50/86/59/1020508659.db2.gz QEHDZOUPZYCVCC-IYXRBSQSSA-N 2 2 306.416 3.818 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000765858529 1020525673 /nfs/dbraw/zinc/52/56/73/1020525673.db2.gz GZJKUORRRUWOPD-OKZBNKHCSA-N 2 2 322.537 3.824 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CC)c1ccc2c(c1)CCO2 ZINC000765908075 1020573950 /nfs/dbraw/zinc/57/39/50/1020573950.db2.gz XIYRLNPDQUAYCW-QZTJIDSGSA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CC)c1ccc2c(c1)CCO2 ZINC000765908075 1020573959 /nfs/dbraw/zinc/57/39/59/1020573959.db2.gz XIYRLNPDQUAYCW-QZTJIDSGSA-N 2 2 302.462 3.537 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCCCC1 ZINC000317260514 1020583349 /nfs/dbraw/zinc/58/33/49/1020583349.db2.gz FVBQOFZAAOWMNJ-MRXNPFEDSA-N 2 2 301.478 3.999 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000347864741 1020612700 /nfs/dbraw/zinc/61/27/00/1020612700.db2.gz NSPWXDWTRCXGRH-KRWDZBQOSA-N 2 2 305.491 3.527 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000347864741 1020612705 /nfs/dbraw/zinc/61/27/05/1020612705.db2.gz NSPWXDWTRCXGRH-KRWDZBQOSA-N 2 2 305.491 3.527 20 0 DHADLP CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000735324554 1020719054 /nfs/dbraw/zinc/71/90/54/1020719054.db2.gz QZVWFOGDOHFPMD-LSDHHAIUSA-N 2 2 319.449 3.775 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@H]1[NH3+] ZINC000647498646 1020777207 /nfs/dbraw/zinc/77/72/07/1020777207.db2.gz LVKHVOKDGKGZSQ-MLGOLLRUSA-N 2 2 319.449 3.508 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC[C@H]1[NH3+] ZINC000647498646 1020777212 /nfs/dbraw/zinc/77/72/12/1020777212.db2.gz LVKHVOKDGKGZSQ-MLGOLLRUSA-N 2 2 319.449 3.508 20 0 DHADLP CCCSC[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000892527033 1020834022 /nfs/dbraw/zinc/83/40/22/1020834022.db2.gz GJRAMAHCYUNKMR-HNNXBMFYSA-N 2 2 303.475 3.553 20 0 DHADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414063576 1020837018 /nfs/dbraw/zinc/83/70/18/1020837018.db2.gz DXSSEJKLGJGQRU-CABCVRRESA-N 2 2 315.486 3.803 20 0 DHADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)C1 ZINC000414063576 1020837027 /nfs/dbraw/zinc/83/70/27/1020837027.db2.gz DXSSEJKLGJGQRU-CABCVRRESA-N 2 2 315.486 3.803 20 0 DHADLP CC1(C)C[C@@H]([NH2+]Cc2cncs2)CC[N@@H+]1Cc1ccccc1 ZINC001171965779 1032938297 /nfs/dbraw/zinc/93/82/97/1032938297.db2.gz RJSVKWJTKPCWTM-INIZCTEOSA-N 2 2 315.486 3.676 20 0 DHADLP CC1(C)C[C@@H]([NH2+]Cc2cncs2)CC[N@H+]1Cc1ccccc1 ZINC001171965779 1032938312 /nfs/dbraw/zinc/93/83/12/1032938312.db2.gz RJSVKWJTKPCWTM-INIZCTEOSA-N 2 2 315.486 3.676 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)[C@@H]1C[C@H]1C ZINC000414111022 1020900777 /nfs/dbraw/zinc/90/07/77/1020900777.db2.gz WSWVEZIEMHFNPN-RGCFKVTRSA-N 2 2 301.478 3.631 20 0 DHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CCCO2 ZINC000766266792 1020993392 /nfs/dbraw/zinc/99/33/92/1020993392.db2.gz BQZHYBBXZODTKO-FUHWJXTLSA-N 2 2 302.462 3.591 20 0 DHADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CCCO2 ZINC000766266792 1020993398 /nfs/dbraw/zinc/99/33/98/1020993398.db2.gz BQZHYBBXZODTKO-FUHWJXTLSA-N 2 2 302.462 3.591 20 0 DHADLP CC1(C)C[C@H]([NH+]2CC(C(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171989246 1032951017 /nfs/dbraw/zinc/95/10/17/1032951017.db2.gz BINLJQYQFBLFIW-MRXNPFEDSA-N 2 2 308.416 3.627 20 0 DHADLP CC1(C)C[C@H]([NH+]2CC(C(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171989246 1032951034 /nfs/dbraw/zinc/95/10/34/1032951034.db2.gz BINLJQYQFBLFIW-MRXNPFEDSA-N 2 2 308.416 3.627 20 0 DHADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H](C)Cc1ccc(C(F)(F)F)cc1)C2 ZINC001171969763 1032953563 /nfs/dbraw/zinc/95/35/63/1032953563.db2.gz LHWZJCCZYAGYJP-LBPRGKRZSA-N 2 2 323.362 3.657 20 0 DHADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H](C)Cc1ccc(C(F)(F)F)cc1)C2 ZINC001171969763 1032953574 /nfs/dbraw/zinc/95/35/74/1032953574.db2.gz LHWZJCCZYAGYJP-LBPRGKRZSA-N 2 2 323.362 3.657 20 0 DHADLP Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc(C2CCC2)[nH+]1 ZINC000892618006 1021100512 /nfs/dbraw/zinc/10/05/12/1021100512.db2.gz DPDNUGYUMLDDIB-QGZVFWFLSA-N 2 2 314.477 3.507 20 0 DHADLP CC(C)(C)OC1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926785512 1021200996 /nfs/dbraw/zinc/20/09/96/1021200996.db2.gz MCSMNJHKLOGGAX-OPQOLIRYSA-N 2 2 308.510 3.719 20 0 DHADLP CC(C)(C)OC1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926785512 1021201007 /nfs/dbraw/zinc/20/10/07/1021201007.db2.gz MCSMNJHKLOGGAX-OPQOLIRYSA-N 2 2 308.510 3.719 20 0 DHADLP C[N@H+](Cc1ccccc1)C1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202424667 1021244309 /nfs/dbraw/zinc/24/43/09/1021244309.db2.gz KUCZHTRQIIFXHD-UHFFFAOYSA-N 2 2 314.395 3.925 20 0 DHADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202424667 1021244322 /nfs/dbraw/zinc/24/43/22/1021244322.db2.gz KUCZHTRQIIFXHD-UHFFFAOYSA-N 2 2 314.395 3.925 20 0 DHADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1nc2ccccc2n1C ZINC000091341549 1021276870 /nfs/dbraw/zinc/27/68/70/1021276870.db2.gz MHNGQNIPDJXULH-RHSMWYFYSA-N 2 2 316.493 3.590 20 0 DHADLP C[C@@H]([NH2+]CC1Cc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537968396 1032966052 /nfs/dbraw/zinc/96/60/52/1032966052.db2.gz DQJXGUALOISMKZ-MRXNPFEDSA-N 2 2 317.436 3.938 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)sc1C(C)(C)C ZINC000929992696 1021336434 /nfs/dbraw/zinc/33/64/34/1021336434.db2.gz VHHOZPGCGJTGSZ-ZDUSSCGKSA-N 2 2 318.490 3.852 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)sc1C(C)(C)C ZINC000929992696 1021336450 /nfs/dbraw/zinc/33/64/50/1021336450.db2.gz VHHOZPGCGJTGSZ-ZDUSSCGKSA-N 2 2 318.490 3.852 20 0 DHADLP Cc1nc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)sc1C(C)(C)C ZINC000929992695 1021337172 /nfs/dbraw/zinc/33/71/72/1021337172.db2.gz VHHOZPGCGJTGSZ-CYBMUJFWSA-N 2 2 318.490 3.852 20 0 DHADLP Cc1nc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)sc1C(C)(C)C ZINC000929992695 1021337188 /nfs/dbraw/zinc/33/71/88/1021337188.db2.gz VHHOZPGCGJTGSZ-CYBMUJFWSA-N 2 2 318.490 3.852 20 0 DHADLP Cc1ccsc1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000070090364 1021582844 /nfs/dbraw/zinc/58/28/44/1021582844.db2.gz VIIATWGQWRAXEP-CQSZACIVSA-N 2 2 301.459 3.771 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000093644130 1021639693 /nfs/dbraw/zinc/63/96/93/1021639693.db2.gz AFLQZWOYXKRMJX-NHYWBVRUSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000093644130 1021639699 /nfs/dbraw/zinc/63/96/99/1021639699.db2.gz AFLQZWOYXKRMJX-NHYWBVRUSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000093644130 1021639706 /nfs/dbraw/zinc/63/97/06/1021639706.db2.gz AFLQZWOYXKRMJX-NHYWBVRUSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000093644130 1021639714 /nfs/dbraw/zinc/63/97/14/1021639714.db2.gz AFLQZWOYXKRMJX-NHYWBVRUSA-N 2 2 301.261 3.908 20 0 DHADLP COc1ccc2ccccc2c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643833 1021640547 /nfs/dbraw/zinc/64/05/47/1021640547.db2.gz GUMILWNWBLSPPI-NVXWUHKLSA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc2ccccc2c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643833 1021640552 /nfs/dbraw/zinc/64/05/52/1021640552.db2.gz GUMILWNWBLSPPI-NVXWUHKLSA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc2ccccc2c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643833 1021640556 /nfs/dbraw/zinc/64/05/56/1021640556.db2.gz GUMILWNWBLSPPI-NVXWUHKLSA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc2ccccc2c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643833 1021640561 /nfs/dbraw/zinc/64/05/61/1021640561.db2.gz GUMILWNWBLSPPI-NVXWUHKLSA-N 2 2 312.457 3.763 20 0 DHADLP Cc1ccc(Cl)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC001172104117 1033004030 /nfs/dbraw/zinc/00/40/30/1033004030.db2.gz ZTFHENOMPATNOP-BTTYYORXSA-N 2 2 310.844 3.892 20 0 DHADLP Cc1ccc(Cl)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC001172104117 1033004039 /nfs/dbraw/zinc/00/40/39/1033004039.db2.gz ZTFHENOMPATNOP-BTTYYORXSA-N 2 2 310.844 3.892 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCC34CCC4)C2)CC1 ZINC000337463026 1033010438 /nfs/dbraw/zinc/01/04/38/1033010438.db2.gz KYMVKABISSBFQH-YMAMQOFZSA-N 2 2 316.411 3.714 20 0 DHADLP CCCSC[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000893080129 1021885486 /nfs/dbraw/zinc/88/54/86/1021885486.db2.gz NCSNIQKFFCNLHZ-DOTOQJQBSA-N 2 2 317.502 3.825 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000556925818 1021948508 /nfs/dbraw/zinc/94/85/08/1021948508.db2.gz FRRHGCKUZNXZID-INIZCTEOSA-N 2 2 316.489 3.564 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC000556925818 1021948510 /nfs/dbraw/zinc/94/85/10/1021948510.db2.gz FRRHGCKUZNXZID-INIZCTEOSA-N 2 2 316.489 3.564 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000193445306 1022023788 /nfs/dbraw/zinc/02/37/88/1022023788.db2.gz KTLKNNRXIDVNOT-YJBOKZPZSA-N 2 2 303.409 3.863 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc1C ZINC000414166776 1022174649 /nfs/dbraw/zinc/17/46/49/1022174649.db2.gz ODJAGOWNKJEIPG-ICSRJNTNSA-N 2 2 309.457 3.624 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)nc1C ZINC000414166776 1022174657 /nfs/dbraw/zinc/17/46/57/1022174657.db2.gz ODJAGOWNKJEIPG-ICSRJNTNSA-N 2 2 309.457 3.624 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1F)C2 ZINC001169093871 1022244503 /nfs/dbraw/zinc/24/45/03/1022244503.db2.gz JQKSJYSTFGDVSN-XYYAHUGASA-N 2 2 316.342 3.559 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1F)C2 ZINC001169093871 1022244511 /nfs/dbraw/zinc/24/45/11/1022244511.db2.gz JQKSJYSTFGDVSN-XYYAHUGASA-N 2 2 316.342 3.559 20 0 DHADLP CN(C)c1cc(Cl)[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169139318 1022267331 /nfs/dbraw/zinc/26/73/31/1022267331.db2.gz ZDKVCSBLADGPRH-YVEFUNNKSA-N 2 2 324.900 3.757 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)Cc1cccnc1)C2 ZINC001169140805 1022272352 /nfs/dbraw/zinc/27/23/52/1022272352.db2.gz MIPUHIWCGGPSBK-AERCQKQUSA-N 2 2 321.468 3.709 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](Cc1ccccc1)Cc1cccnc1)C2 ZINC001169140805 1022272362 /nfs/dbraw/zinc/27/23/62/1022272362.db2.gz MIPUHIWCGGPSBK-AERCQKQUSA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](Cc1ccccc1)Cc1cccnc1)C2 ZINC001169140805 1022272366 /nfs/dbraw/zinc/27/23/66/1022272366.db2.gz MIPUHIWCGGPSBK-AERCQKQUSA-N 2 2 321.468 3.709 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)Cc1cccnc1)C2 ZINC001169140805 1022272375 /nfs/dbraw/zinc/27/23/75/1022272375.db2.gz MIPUHIWCGGPSBK-AERCQKQUSA-N 2 2 321.468 3.709 20 0 DHADLP FCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000367626461 1022387571 /nfs/dbraw/zinc/38/75/71/1022387571.db2.gz OFJSUFMQGIPMLO-RHSMWYFYSA-N 2 2 310.482 3.830 20 0 DHADLP c1ccc(COc2cc(NCC34CC[NH+](CC3)CC4)cc[nH+]2)cc1 ZINC001169795084 1022549133 /nfs/dbraw/zinc/54/91/33/1022549133.db2.gz FUBGSYVLVHTUPF-UHFFFAOYSA-N 2 2 323.440 3.558 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000315493551 1022643076 /nfs/dbraw/zinc/64/30/76/1022643076.db2.gz BHIRWAHUVQRSDN-HNNXBMFYSA-N 2 2 315.486 3.630 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000315493551 1022643086 /nfs/dbraw/zinc/64/30/86/1022643086.db2.gz BHIRWAHUVQRSDN-HNNXBMFYSA-N 2 2 315.486 3.630 20 0 DHADLP Cc1[nH+]cn(CC[Si](C)(C)CCn2c[nH+]c(C)c2C)c1C ZINC000859139009 1033078298 /nfs/dbraw/zinc/07/82/98/1033078298.db2.gz KBRYWDMSWJGSCV-UHFFFAOYSA-N 2 2 304.514 3.722 20 0 DHADLP c1cn(CCCC2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)c[nH+]1 ZINC000660244412 1022803694 /nfs/dbraw/zinc/80/36/94/1022803694.db2.gz HAKQSQRNTDQCPW-QRVBRYPASA-N 2 2 301.478 3.812 20 0 DHADLP C[C@H](Cc1ccco1)[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000768516529 1022988239 /nfs/dbraw/zinc/98/82/39/1022988239.db2.gz WZPWMJLFUOUBGR-LMMKCTJWSA-N 2 2 312.457 3.711 20 0 DHADLP C[C@H](Cc1ccco1)[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000768516529 1022988250 /nfs/dbraw/zinc/98/82/50/1022988250.db2.gz WZPWMJLFUOUBGR-LMMKCTJWSA-N 2 2 312.457 3.711 20 0 DHADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000397921781 1023001378 /nfs/dbraw/zinc/00/13/78/1023001378.db2.gz OLHPPFRJJQAWAO-XUVXKRRUSA-N 2 2 316.489 3.588 20 0 DHADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000397921781 1023001392 /nfs/dbraw/zinc/00/13/92/1023001392.db2.gz OLHPPFRJJQAWAO-XUVXKRRUSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@]1(C[NH2+]Cc2ccc(O)cc2)CCC[N@@H+]1Cc1ccccc1 ZINC000397922018 1023003834 /nfs/dbraw/zinc/00/38/34/1023003834.db2.gz QMGFWFKDLRCTTO-HXUWFJFHSA-N 2 2 310.441 3.537 20 0 DHADLP C[C@]1(C[NH2+]Cc2ccc(O)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000397922018 1023003842 /nfs/dbraw/zinc/00/38/42/1023003842.db2.gz QMGFWFKDLRCTTO-HXUWFJFHSA-N 2 2 310.441 3.537 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001167752362 1023034361 /nfs/dbraw/zinc/03/43/61/1023034361.db2.gz FTYINDUNAJQLQO-QGZVFWFLSA-N 2 2 312.461 3.608 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001167752362 1023034372 /nfs/dbraw/zinc/03/43/72/1023034372.db2.gz FTYINDUNAJQLQO-QGZVFWFLSA-N 2 2 312.461 3.608 20 0 DHADLP CCCC[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538589116 1033110795 /nfs/dbraw/zinc/11/07/95/1033110795.db2.gz VXAOABOZTZUBPX-HNNXBMFYSA-N 2 2 304.482 3.603 20 0 DHADLP CCc1noc(C)c1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000769875966 1023239019 /nfs/dbraw/zinc/23/90/19/1023239019.db2.gz RGTCIVGOAQXBEI-KKUMJFAQSA-N 2 2 307.482 3.564 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCCC3CCC3)C2)n2c1CCCC2 ZINC000660479441 1023271713 /nfs/dbraw/zinc/27/17/13/1023271713.db2.gz GEVBUBPTYSPGCU-QGZVFWFLSA-N 2 2 301.478 3.979 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@H+](CCCC3CCC3)C2)n2c1CCCC2 ZINC000660479441 1023271737 /nfs/dbraw/zinc/27/17/37/1023271737.db2.gz GEVBUBPTYSPGCU-QGZVFWFLSA-N 2 2 301.478 3.979 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(-c2ccccc2)cn1 ZINC000651676178 1023451956 /nfs/dbraw/zinc/45/19/56/1023451956.db2.gz RDIDXRCUANHKSW-JKSUJKDBSA-N 2 2 306.413 3.684 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccccc2)cn1 ZINC000651813904 1023566865 /nfs/dbraw/zinc/56/68/65/1023566865.db2.gz CHGYDWQJRFZEST-RHSMWYFYSA-N 2 2 318.424 3.680 20 0 DHADLP CC[C@H](C)OCC[C@@H](C)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172362676 1033141633 /nfs/dbraw/zinc/14/16/33/1033141633.db2.gz VZWWVXITSJBPGE-SJORKVTESA-N 2 2 310.526 3.919 20 0 DHADLP CC[C@H](C)OCC[C@@H](C)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172362676 1033141639 /nfs/dbraw/zinc/14/16/39/1033141639.db2.gz VZWWVXITSJBPGE-SJORKVTESA-N 2 2 310.526 3.919 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000651949217 1023672892 /nfs/dbraw/zinc/67/28/92/1023672892.db2.gz GWQAZJKFLIRRKY-INIZCTEOSA-N 2 2 306.425 3.502 20 0 DHADLP CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1(C)C ZINC000746599877 1023720027 /nfs/dbraw/zinc/72/00/27/1023720027.db2.gz DXUUJBKMBRRIHD-POZUXBRTSA-N 2 2 313.445 3.727 20 0 DHADLP Cc1c([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cnn1C(C)C ZINC000786896630 1023735476 /nfs/dbraw/zinc/73/54/76/1023735476.db2.gz BKUYRZQUMHRHKZ-WMLDXEAASA-N 2 2 317.481 3.734 20 0 DHADLP CCOCC[C@@H](C)[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001172417946 1033162064 /nfs/dbraw/zinc/16/20/64/1033162064.db2.gz XWRXWUYZYXZJOA-MRXNPFEDSA-N 2 2 322.468 3.503 20 0 DHADLP c1ccc(C[N@H+]2CCCCC[C@@H]([NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000709621395 1023830702 /nfs/dbraw/zinc/83/07/02/1023830702.db2.gz TYNBXMPECJHALN-UXHICEINSA-N 2 2 314.473 3.714 20 0 DHADLP c1ccc(C[N@@H+]2CCCCC[C@@H]([NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000709621395 1023830706 /nfs/dbraw/zinc/83/07/06/1023830706.db2.gz TYNBXMPECJHALN-UXHICEINSA-N 2 2 314.473 3.714 20 0 DHADLP CC(C)CCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001170080587 1023839396 /nfs/dbraw/zinc/83/93/96/1023839396.db2.gz KWNGCVARVGJPSR-QGZVFWFLSA-N 2 2 320.525 3.754 20 0 DHADLP CC(C)CCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001170080587 1023839400 /nfs/dbraw/zinc/83/94/00/1023839400.db2.gz KWNGCVARVGJPSR-QGZVFWFLSA-N 2 2 320.525 3.754 20 0 DHADLP CC(C)CCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001170080587 1023839404 /nfs/dbraw/zinc/83/94/04/1023839404.db2.gz KWNGCVARVGJPSR-QGZVFWFLSA-N 2 2 320.525 3.754 20 0 DHADLP CC(C)CCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001170080587 1023839408 /nfs/dbraw/zinc/83/94/08/1023839408.db2.gz KWNGCVARVGJPSR-QGZVFWFLSA-N 2 2 320.525 3.754 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCc3ccccc32)c[nH+]1 ZINC000268735099 1024150050 /nfs/dbraw/zinc/15/00/50/1024150050.db2.gz BGAQKIGWXDPDHI-FQEVSTJZSA-N 2 2 303.409 3.709 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@@H](C)C1 ZINC000268780824 1024158778 /nfs/dbraw/zinc/15/87/78/1024158778.db2.gz AIQQHCWMWPPZSI-WCQYABFASA-N 2 2 323.893 3.770 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc3cc(Cl)ccc3s2)[C@@H](C)C1 ZINC000268780824 1024158784 /nfs/dbraw/zinc/15/87/84/1024158784.db2.gz AIQQHCWMWPPZSI-WCQYABFASA-N 2 2 323.893 3.770 20 0 DHADLP Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000268815155 1024167955 /nfs/dbraw/zinc/16/79/55/1024167955.db2.gz VPLLFIQFTVGOOA-UZLBHIALSA-N 2 2 321.424 3.565 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000237552001 1024206289 /nfs/dbraw/zinc/20/62/89/1024206289.db2.gz ZDYXVNOVVABZRT-ZDUSSCGKSA-N 2 2 304.409 3.824 20 0 DHADLP Clc1cccc2c1CC[C@@H]2[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269775328 1024315042 /nfs/dbraw/zinc/31/50/42/1024315042.db2.gz MTCWWKOMYXCTRI-INIZCTEOSA-N 2 2 301.821 3.930 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000453100966 1024331549 /nfs/dbraw/zinc/33/15/49/1024331549.db2.gz SXARXGHOIBAZCC-KRWDZBQOSA-N 2 2 320.440 3.768 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)s1 ZINC000663468967 1024414994 /nfs/dbraw/zinc/41/49/94/1024414994.db2.gz NTVYRQRVTQDZLQ-LRDDRELGSA-N 2 2 307.507 3.533 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)s1 ZINC000663468967 1024414998 /nfs/dbraw/zinc/41/49/98/1024414998.db2.gz NTVYRQRVTQDZLQ-LRDDRELGSA-N 2 2 307.507 3.533 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387053 1024420385 /nfs/dbraw/zinc/42/03/85/1024420385.db2.gz RFQLXUROECZUHX-APWZRJJASA-N 2 2 306.413 3.679 20 0 DHADLP FC1(F)CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883388157 1024421959 /nfs/dbraw/zinc/42/19/59/1024421959.db2.gz OJTVYZCJPHQOAI-MRXNPFEDSA-N 2 2 305.372 3.792 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCSCC1 ZINC000883387878 1024422761 /nfs/dbraw/zinc/42/27/61/1024422761.db2.gz HGFJGNZTUWLKNB-MAUKXSAKSA-N 2 2 315.486 3.746 20 0 DHADLP CCc1cccnc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387950 1024423295 /nfs/dbraw/zinc/42/32/95/1024423295.db2.gz IXVKZIYOMUUJJR-QFBILLFUSA-N 2 2 320.440 3.933 20 0 DHADLP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458391 1024437577 /nfs/dbraw/zinc/43/75/77/1024437577.db2.gz HRZSVEUFJGSJQW-UHFFFAOYSA-N 2 2 323.440 3.592 20 0 DHADLP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000883458391 1024437582 /nfs/dbraw/zinc/43/75/82/1024437582.db2.gz HRZSVEUFJGSJQW-UHFFFAOYSA-N 2 2 323.440 3.592 20 0 DHADLP Clc1ccc2cccnc2c1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883458581 1024439028 /nfs/dbraw/zinc/43/90/28/1024439028.db2.gz PARKPOZTNQDHFI-UHFFFAOYSA-N 2 2 315.848 3.606 20 0 DHADLP Clc1ccc2cccnc2c1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883458581 1024439029 /nfs/dbraw/zinc/43/90/29/1024439029.db2.gz PARKPOZTNQDHFI-UHFFFAOYSA-N 2 2 315.848 3.606 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccnc2Cl)C1 ZINC000271486862 1024519733 /nfs/dbraw/zinc/51/97/33/1024519733.db2.gz JWSQMBIMCJTZEZ-CABCVRRESA-N 2 2 309.885 3.754 20 0 DHADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)nc1 ZINC000453426839 1024519696 /nfs/dbraw/zinc/51/96/96/1024519696.db2.gz OFYFJQGACNYZSU-WIYYLYMNSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)nc1 ZINC000453426839 1024519706 /nfs/dbraw/zinc/51/97/06/1024519706.db2.gz OFYFJQGACNYZSU-WIYYLYMNSA-N 2 2 323.484 3.575 20 0 DHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccnc2Cl)C1 ZINC000271486862 1024519738 /nfs/dbraw/zinc/51/97/38/1024519738.db2.gz JWSQMBIMCJTZEZ-CABCVRRESA-N 2 2 309.885 3.754 20 0 DHADLP C[C@@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001170157378 1024537574 /nfs/dbraw/zinc/53/75/74/1024537574.db2.gz KNAMNUUVUNZKLH-QAPCUYQASA-N 2 2 304.453 3.911 20 0 DHADLP C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001170157378 1024537582 /nfs/dbraw/zinc/53/75/82/1024537582.db2.gz KNAMNUUVUNZKLH-QAPCUYQASA-N 2 2 304.453 3.911 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000271611211 1024550524 /nfs/dbraw/zinc/55/05/24/1024550524.db2.gz CLNXGPGJARZHMJ-CYBMUJFWSA-N 2 2 309.360 3.568 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271611211 1024550531 /nfs/dbraw/zinc/55/05/31/1024550531.db2.gz CLNXGPGJARZHMJ-CYBMUJFWSA-N 2 2 309.360 3.568 20 0 DHADLP c1cn(Cc2cccc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC000348247321 1024561474 /nfs/dbraw/zinc/56/14/74/1024561474.db2.gz QXWAZSUNXMRYFH-NHCUHLMSSA-N 2 2 317.436 3.825 20 0 DHADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000532194998 1024572101 /nfs/dbraw/zinc/57/21/01/1024572101.db2.gz YIRMROBQNRKIAI-SFHVURJKSA-N 2 2 303.425 3.659 20 0 DHADLP CC[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)CCO1 ZINC001170164422 1024652841 /nfs/dbraw/zinc/65/28/41/1024652841.db2.gz JSYYNJRCZPQJFF-XRXFAXGQSA-N 2 2 324.468 3.975 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000349146694 1024681329 /nfs/dbraw/zinc/68/13/29/1024681329.db2.gz HFUNGKQNTGJXNR-HNNXBMFYSA-N 2 2 324.453 3.533 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3)n2)C1 ZINC000349146694 1024681333 /nfs/dbraw/zinc/68/13/33/1024681333.db2.gz HFUNGKQNTGJXNR-HNNXBMFYSA-N 2 2 324.453 3.533 20 0 DHADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001170254945 1024725781 /nfs/dbraw/zinc/72/57/81/1024725781.db2.gz LAXIAZWAWGTJIX-HOTGVXAUSA-N 2 2 308.897 3.981 20 0 DHADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(C)ccc1OC ZINC000538986836 1033239417 /nfs/dbraw/zinc/23/94/17/1033239417.db2.gz HXNSAKXJBFQJGC-QGZVFWFLSA-N 2 2 301.434 3.721 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001168169935 1024767644 /nfs/dbraw/zinc/76/76/44/1024767644.db2.gz YDRPLSYCONWHLR-PBHICJAKSA-N 2 2 308.897 3.981 20 0 DHADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001168169935 1024767656 /nfs/dbraw/zinc/76/76/56/1024767656.db2.gz YDRPLSYCONWHLR-PBHICJAKSA-N 2 2 308.897 3.981 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000718005992 1024819981 /nfs/dbraw/zinc/81/99/81/1024819981.db2.gz NRFZBUKXOOJXBT-NRFANRHFSA-N 2 2 308.469 3.995 20 0 DHADLP Cc1ccc(C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000718005992 1024820000 /nfs/dbraw/zinc/82/00/00/1024820000.db2.gz NRFZBUKXOOJXBT-NRFANRHFSA-N 2 2 308.469 3.995 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC3(C)CC3)CC2)cc1 ZINC000793198438 1024933921 /nfs/dbraw/zinc/93/39/21/1024933921.db2.gz JEWIOYCSMQCQFM-UHFFFAOYSA-N 2 2 301.478 3.501 20 0 DHADLP Fc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000353471332 1025077299 /nfs/dbraw/zinc/07/72/99/1025077299.db2.gz NNVYHSPVAVWTJI-UHFFFAOYSA-N 2 2 307.372 3.570 20 0 DHADLP Fc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000353471332 1025077312 /nfs/dbraw/zinc/07/73/12/1025077312.db2.gz NNVYHSPVAVWTJI-UHFFFAOYSA-N 2 2 307.372 3.570 20 0 DHADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001172568433 1033259902 /nfs/dbraw/zinc/25/99/02/1033259902.db2.gz QRFSEFKXYLVTRP-YPMHNXCESA-N 2 2 316.823 3.623 20 0 DHADLP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001172568433 1033259911 /nfs/dbraw/zinc/25/99/11/1033259911.db2.gz QRFSEFKXYLVTRP-YPMHNXCESA-N 2 2 316.823 3.623 20 0 DHADLP Cc1[nH]c(C2CCN(c3[nH+]ccc4ccccc43)CC2)[nH+]c1C ZINC000884705883 1025230851 /nfs/dbraw/zinc/23/08/51/1025230851.db2.gz KLNOMOIBBNVVRL-UHFFFAOYSA-N 2 2 306.413 3.959 20 0 DHADLP Cc1[nH]c(C2CCN(c3cc[nH+]c4c(O)cccc34)CC2)[nH+]c1C ZINC000884706501 1025232481 /nfs/dbraw/zinc/23/24/81/1025232481.db2.gz FDONNQRSFPFRHY-UHFFFAOYSA-N 2 2 322.412 3.664 20 0 DHADLP Clc1cccc(C2CC([NH2+]CCCCn3cc[nH+]c3)C2)c1 ZINC000045106031 1025259300 /nfs/dbraw/zinc/25/93/00/1025259300.db2.gz UJWQOKGWVKUFGJ-UHFFFAOYSA-N 2 2 303.837 3.853 20 0 DHADLP CC(C)(C)c1cnc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000279840337 1025289755 /nfs/dbraw/zinc/28/97/55/1025289755.db2.gz NYNMIZLGIWQWAZ-UHFFFAOYSA-N 2 2 304.463 3.543 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000353973076 1025306522 /nfs/dbraw/zinc/30/65/22/1025306522.db2.gz PLCWKDRMQCIVRK-OALUTQOASA-N 2 2 322.468 3.757 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000353973076 1025306531 /nfs/dbraw/zinc/30/65/31/1025306531.db2.gz PLCWKDRMQCIVRK-OALUTQOASA-N 2 2 322.468 3.757 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC001204089752 1033278533 /nfs/dbraw/zinc/27/85/33/1033278533.db2.gz IDPPHWPNEQZSKR-QGZVFWFLSA-N 2 2 319.408 3.592 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC001204089752 1033278544 /nfs/dbraw/zinc/27/85/44/1033278544.db2.gz IDPPHWPNEQZSKR-QGZVFWFLSA-N 2 2 319.408 3.592 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCC3)C1 ZINC000354551430 1025454895 /nfs/dbraw/zinc/45/48/95/1025454895.db2.gz ZJUHMYDUYQSSFY-DNVCBOLYSA-N 2 2 307.441 3.818 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc3c(c[nH+]2)CCC3)C1 ZINC000354551430 1025454903 /nfs/dbraw/zinc/45/49/03/1025454903.db2.gz ZJUHMYDUYQSSFY-DNVCBOLYSA-N 2 2 307.441 3.818 20 0 DHADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000040621976 1025530608 /nfs/dbraw/zinc/53/06/08/1025530608.db2.gz MDAMOSYCDLMYGA-LBPRGKRZSA-N 2 2 301.261 3.813 20 0 DHADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000040621976 1025530621 /nfs/dbraw/zinc/53/06/21/1025530621.db2.gz MDAMOSYCDLMYGA-LBPRGKRZSA-N 2 2 301.261 3.813 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886162075 1025539462 /nfs/dbraw/zinc/53/94/62/1025539462.db2.gz FERXYZLTRWHZGB-ROUUACIJSA-N 2 2 308.510 3.578 20 0 DHADLP Clc1cccc2c3c([nH]c21)[C@@H]([NH2+]CCn1cc[nH+]c1)CCC3 ZINC000886489204 1025646673 /nfs/dbraw/zinc/64/66/73/1025646673.db2.gz CLGPPVSHJLXUKM-HNNXBMFYSA-N 2 2 314.820 3.685 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000894037841 1025667214 /nfs/dbraw/zinc/66/72/14/1025667214.db2.gz TXDQBCPBLHAAAF-CYBMUJFWSA-N 2 2 300.368 3.679 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000894037841 1025667225 /nfs/dbraw/zinc/66/72/25/1025667225.db2.gz TXDQBCPBLHAAAF-CYBMUJFWSA-N 2 2 300.368 3.679 20 0 DHADLP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)cc1 ZINC000359872779 1025723597 /nfs/dbraw/zinc/72/35/97/1025723597.db2.gz KVJRJOBNHDZRBV-QGZVFWFLSA-N 2 2 313.445 3.680 20 0 DHADLP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)cc1 ZINC000359872779 1025723620 /nfs/dbraw/zinc/72/36/20/1025723620.db2.gz KVJRJOBNHDZRBV-QGZVFWFLSA-N 2 2 313.445 3.680 20 0 DHADLP CC[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000806154559 1025815496 /nfs/dbraw/zinc/81/54/96/1025815496.db2.gz HSSOAGQVCOEHBI-DNVCBOLYSA-N 2 2 301.478 3.818 20 0 DHADLP COc1cccc([C@H](C)[NH+]2CCC([N@@H+]3CCC[C@H]3C)CC2)c1 ZINC000134697369 1025816162 /nfs/dbraw/zinc/81/61/62/1025816162.db2.gz FEYIFKCXQIFZCC-CVEARBPZSA-N 2 2 302.462 3.705 20 0 DHADLP COc1cccc([C@H](C)[NH+]2CCC([N@H+]3CCC[C@H]3C)CC2)c1 ZINC000134697369 1025816180 /nfs/dbraw/zinc/81/61/80/1025816180.db2.gz FEYIFKCXQIFZCC-CVEARBPZSA-N 2 2 302.462 3.705 20 0 DHADLP CO[C@@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)CC(C)C ZINC000419237353 1025955506 /nfs/dbraw/zinc/95/55/06/1025955506.db2.gz BZVUEZWTBCCZPR-CRAIPNDOSA-N 2 2 301.434 3.584 20 0 DHADLP c1cc2c(cccc2C[NH2+]Cc2ccccc2-n2cc[nH+]c2)[nH]1 ZINC000236766129 1025985754 /nfs/dbraw/zinc/98/57/54/1025985754.db2.gz SOYSXPWXRPHXMZ-UHFFFAOYSA-N 2 2 302.381 3.643 20 0 DHADLP c1c[nH]c([C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000411429487 1025996299 /nfs/dbraw/zinc/99/62/99/1025996299.db2.gz MOGIJDYZZBCVBH-LJQANCHMSA-N 2 2 324.472 3.733 20 0 DHADLP c1c[nH]c([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000411429487 1025996307 /nfs/dbraw/zinc/99/63/07/1025996307.db2.gz MOGIJDYZZBCVBH-LJQANCHMSA-N 2 2 324.472 3.733 20 0 DHADLP Clc1nccc2cc(C[NH2+]CCCCn3cc[nH+]c3)sc21 ZINC000894198443 1026345639 /nfs/dbraw/zinc/34/56/39/1026345639.db2.gz AGJJLBBKBFPCQG-UHFFFAOYSA-N 2 2 320.849 3.716 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]Cc2cccc3c2NCCC3)c[nH+]1 ZINC000894203414 1026349349 /nfs/dbraw/zinc/34/93/49/1026349349.db2.gz SFCSODKYNJIUAD-UHFFFAOYSA-N 2 2 318.424 3.520 20 0 DHADLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000414441785 1026784217 /nfs/dbraw/zinc/78/42/17/1026784217.db2.gz KFDHMSCZIZVSKM-UHFFFAOYSA-N 2 2 311.351 3.732 20 0 DHADLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000414441785 1026784228 /nfs/dbraw/zinc/78/42/28/1026784228.db2.gz KFDHMSCZIZVSKM-UHFFFAOYSA-N 2 2 311.351 3.732 20 0 DHADLP C[C@]1(C[NH3+])CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420310679 1026799079 /nfs/dbraw/zinc/79/90/79/1026799079.db2.gz GMLALDYRQPHFPH-MRXNPFEDSA-N 2 2 321.877 3.634 20 0 DHADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000420310679 1026799086 /nfs/dbraw/zinc/79/90/86/1026799086.db2.gz GMLALDYRQPHFPH-MRXNPFEDSA-N 2 2 321.877 3.634 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccncc2Cl)C1 ZINC000421835106 1027062814 /nfs/dbraw/zinc/06/28/14/1027062814.db2.gz MAYFIJPVEUXPDH-CABCVRRESA-N 2 2 309.885 3.754 20 0 DHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccncc2Cl)C1 ZINC000421835106 1027062821 /nfs/dbraw/zinc/06/28/21/1027062821.db2.gz MAYFIJPVEUXPDH-CABCVRRESA-N 2 2 309.885 3.754 20 0 DHADLP C[C@@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000561951357 1027142077 /nfs/dbraw/zinc/14/20/77/1027142077.db2.gz PFYNWDJKZHUCLN-KGLIPLIRSA-N 2 2 314.395 3.740 20 0 DHADLP C[C@@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000561951357 1027142083 /nfs/dbraw/zinc/14/20/83/1027142083.db2.gz PFYNWDJKZHUCLN-KGLIPLIRSA-N 2 2 314.395 3.740 20 0 DHADLP CCOc1cccc2cc([C@@H](C)[NH2+][C@@H](C)Cn3cc[nH+]c3)oc21 ZINC000271883895 1027170737 /nfs/dbraw/zinc/17/07/37/1027170737.db2.gz QDXBPXWLAYXTMQ-UONOGXRCSA-N 2 2 313.401 3.767 20 0 DHADLP C([NH2+][C@@H]1CC[C@@H]1C1CC1)C1([NH+]2CCSCC2)CCCCC1 ZINC000562041965 1027197017 /nfs/dbraw/zinc/19/70/17/1027197017.db2.gz SITQPGOGOMODBD-IAGOWNOFSA-N 2 2 308.535 3.516 20 0 DHADLP CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000272033020 1027206174 /nfs/dbraw/zinc/20/61/74/1027206174.db2.gz URHTZFMOXDPYBI-IEBWSBKVSA-N 2 2 313.445 3.556 20 0 DHADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(C3CCCC3)n2)C[C@@H]1C[NH3+] ZINC000422634431 1027292644 /nfs/dbraw/zinc/29/26/44/1027292644.db2.gz JRHTYCXJBHXNQC-IPYPFGDCSA-N 2 2 307.507 3.606 20 0 DHADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(C3CCCC3)n2)C[C@@H]1C[NH3+] ZINC000422634431 1027292659 /nfs/dbraw/zinc/29/26/59/1027292659.db2.gz JRHTYCXJBHXNQC-IPYPFGDCSA-N 2 2 307.507 3.606 20 0 DHADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170678155 1027306222 /nfs/dbraw/zinc/30/62/22/1027306222.db2.gz WCIJRHGXUJLZME-HOTGVXAUSA-N 2 2 322.443 3.532 20 0 DHADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170678155 1027306242 /nfs/dbraw/zinc/30/62/42/1027306242.db2.gz WCIJRHGXUJLZME-HOTGVXAUSA-N 2 2 322.443 3.532 20 0 DHADLP C[C@@H]([NH2+]CCc1nc(C2CCCCC2)cs1)[C@H]1CCCC[NH2+]1 ZINC000422906657 1027359824 /nfs/dbraw/zinc/35/98/24/1027359824.db2.gz ABEIPJGARLISRW-GDBMZVCRSA-N 2 2 321.534 3.854 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422948871 1027375615 /nfs/dbraw/zinc/37/56/15/1027375615.db2.gz RZYFPTMIQPKHLT-YQQAZPJKSA-N 2 2 320.477 3.665 20 0 DHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCOc3c(F)cccc32)c2ccccc21 ZINC000423046310 1027395073 /nfs/dbraw/zinc/39/50/73/1027395073.db2.gz TZGTXSNSDVOOKB-SQNIBIBYSA-N 2 2 312.388 3.774 20 0 DHADLP CCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1Cl ZINC000423099946 1027417569 /nfs/dbraw/zinc/41/75/69/1027417569.db2.gz FWASCELVSGKPLW-SJORKVTESA-N 2 2 316.832 3.973 20 0 DHADLP CCCC1(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000812837619 1027440550 /nfs/dbraw/zinc/44/05/50/1027440550.db2.gz GLUPZSHBTKMZTP-UHFFFAOYSA-N 2 2 315.505 3.891 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362915051 1027442058 /nfs/dbraw/zinc/44/20/58/1027442058.db2.gz YBLRRHVLNBEJQQ-QFBILLFUSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362915051 1027442068 /nfs/dbraw/zinc/44/20/68/1027442068.db2.gz YBLRRHVLNBEJQQ-QFBILLFUSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362915049 1027443063 /nfs/dbraw/zinc/44/30/63/1027443063.db2.gz YBLRRHVLNBEJQQ-APWZRJJASA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362915049 1027443071 /nfs/dbraw/zinc/44/30/71/1027443071.db2.gz YBLRRHVLNBEJQQ-APWZRJJASA-N 2 2 313.489 3.604 20 0 DHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423234102 1027456557 /nfs/dbraw/zinc/45/65/57/1027456557.db2.gz KYAROJFVERLSAZ-CRAIPNDOSA-N 2 2 310.441 3.765 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000423236006 1027456783 /nfs/dbraw/zinc/45/67/83/1027456783.db2.gz HBPHYTOZXGPORC-MLGOLLRUSA-N 2 2 324.346 3.936 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OCc2ccccc2)cc1 ZINC000423231368 1027467183 /nfs/dbraw/zinc/46/71/83/1027467183.db2.gz GJNYMNVZTFQITR-LPHOPBHVSA-N 2 2 310.441 3.668 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OCc2ccccc2)cc1 ZINC000423231366 1027468900 /nfs/dbraw/zinc/46/89/00/1027468900.db2.gz GJNYMNVZTFQITR-APWZRJJASA-N 2 2 310.441 3.668 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Br)cc1 ZINC000423232952 1027469432 /nfs/dbraw/zinc/46/94/32/1027469432.db2.gz CVWWDMQDJLUIMP-MLGOLLRUSA-N 2 2 319.246 3.800 20 0 DHADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000423242957 1027471697 /nfs/dbraw/zinc/47/16/97/1027471697.db2.gz MKAFCEUFDOZDQB-MLGOLLRUSA-N 2 2 304.434 3.898 20 0 DHADLP [NH3+][C@@H](C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3)c1ccccc1 ZINC000423248730 1027475868 /nfs/dbraw/zinc/47/58/68/1027475868.db2.gz SDZKXMHMXNMUTP-PMACEKPBSA-N 2 2 322.452 3.679 20 0 DHADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc2c(c1)COC2 ZINC000423269307 1027489039 /nfs/dbraw/zinc/48/90/39/1027489039.db2.gz FIBCNXCCDGFACS-OAHLLOKOSA-N 2 2 302.462 3.680 20 0 DHADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc2ccccc2c1OC(F)F ZINC000423275625 1027493929 /nfs/dbraw/zinc/49/39/29/1027493929.db2.gz MACAQEPFUPHWJQ-BDJLRTHQSA-N 2 2 320.383 3.829 20 0 DHADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423275043 1027494136 /nfs/dbraw/zinc/49/41/36/1027494136.db2.gz LJAWZNYGRNMLOO-IBGZPJMESA-N 2 2 301.478 3.835 20 0 DHADLP [NH3+][C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C1CC1 ZINC000423322150 1027498755 /nfs/dbraw/zinc/49/87/55/1027498755.db2.gz NQUNPLOCXMDJMS-ZWKOTPCHSA-N 2 2 318.823 3.895 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000423361753 1027520898 /nfs/dbraw/zinc/52/08/98/1027520898.db2.gz MNKRXKKLBQEEBY-HLLBOEOZSA-N 2 2 320.477 3.523 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(SCC(F)F)cc1 ZINC000423366248 1027524004 /nfs/dbraw/zinc/52/40/04/1027524004.db2.gz QBKWRXJGIUHXAM-TYNCELHUSA-N 2 2 314.445 3.692 20 0 DHADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423454728 1027565151 /nfs/dbraw/zinc/56/51/51/1027565151.db2.gz ZLBWLWXNKYEIEH-NVGCLXPQSA-N 2 2 306.812 3.894 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCCNc2ccccc21 ZINC000423495660 1027573346 /nfs/dbraw/zinc/57/33/46/1027573346.db2.gz CIFCHKLTVHTQKA-QUCCMNQESA-N 2 2 309.457 3.785 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc2cccnc12 ZINC000527813649 1027898832 /nfs/dbraw/zinc/89/88/32/1027898832.db2.gz ZAQJXMRZDXCIKB-IBGZPJMESA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc2cccnc12 ZINC000527813649 1027898836 /nfs/dbraw/zinc/89/88/36/1027898836.db2.gz ZAQJXMRZDXCIKB-IBGZPJMESA-N 2 2 309.457 3.650 20 0 DHADLP Cc1nc2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)cc2s1 ZINC000527813893 1027899171 /nfs/dbraw/zinc/89/91/71/1027899171.db2.gz ZPWYAYYYNJDSCW-INIZCTEOSA-N 2 2 315.486 3.711 20 0 DHADLP Cc1nc2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)cc2s1 ZINC000527813893 1027899192 /nfs/dbraw/zinc/89/91/92/1027899192.db2.gz ZPWYAYYYNJDSCW-INIZCTEOSA-N 2 2 315.486 3.711 20 0 DHADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000365220635 1027903637 /nfs/dbraw/zinc/90/36/37/1027903637.db2.gz IANAQTYYRYWRAV-KRWDZBQOSA-N 2 2 316.470 3.973 20 0 DHADLP CCC[N@H+](CCCCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934187009 1027922081 /nfs/dbraw/zinc/92/20/81/1027922081.db2.gz YCIKGKBECHYVBS-UHFFFAOYSA-N 2 2 318.505 3.790 20 0 DHADLP CCC[N@@H+](CCCCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934187009 1027922095 /nfs/dbraw/zinc/92/20/95/1027922095.db2.gz YCIKGKBECHYVBS-UHFFFAOYSA-N 2 2 318.505 3.790 20 0 DHADLP CCC[N@H+](CCCCCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934190172 1027923769 /nfs/dbraw/zinc/92/37/69/1027923769.db2.gz YEQGLZINDWXAQC-UHFFFAOYSA-N 2 2 318.505 3.526 20 0 DHADLP CCC[N@@H+](CCCCCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934190172 1027923779 /nfs/dbraw/zinc/92/37/79/1027923779.db2.gz YEQGLZINDWXAQC-UHFFFAOYSA-N 2 2 318.505 3.526 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC12CC2 ZINC000527898143 1027948306 /nfs/dbraw/zinc/94/83/06/1027948306.db2.gz UTGPVZSCFAKNJJ-WPPJOMGTSA-N 2 2 316.411 3.570 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1CC12CC2 ZINC000527898139 1027948463 /nfs/dbraw/zinc/94/84/63/1027948463.db2.gz UTGPVZSCFAKNJJ-LLGZUXRYSA-N 2 2 316.411 3.570 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(C)c1 ZINC000528005176 1028031357 /nfs/dbraw/zinc/03/13/57/1028031357.db2.gz YNPHUZLPNHJSHY-NVXWUHKLSA-N 2 2 302.462 3.671 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(C)c1 ZINC000528005176 1028031374 /nfs/dbraw/zinc/03/13/74/1028031374.db2.gz YNPHUZLPNHJSHY-NVXWUHKLSA-N 2 2 302.462 3.671 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(OC(F)F)c1 ZINC000528013376 1028041185 /nfs/dbraw/zinc/04/11/85/1028041185.db2.gz RNMGLJDBDKBTSP-CZUORRHYSA-N 2 2 324.415 3.956 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(OC(F)F)c1 ZINC000528013376 1028041191 /nfs/dbraw/zinc/04/11/91/1028041191.db2.gz RNMGLJDBDKBTSP-CZUORRHYSA-N 2 2 324.415 3.956 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528013570 1028041340 /nfs/dbraw/zinc/04/13/40/1028041340.db2.gz SMLYBVVWXYBRLY-YJBOKZPZSA-N 2 2 302.462 3.753 20 0 DHADLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528013570 1028041355 /nfs/dbraw/zinc/04/13/55/1028041355.db2.gz SMLYBVVWXYBRLY-YJBOKZPZSA-N 2 2 302.462 3.753 20 0 DHADLP CC(C)(C)c1cnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000366151665 1028054371 /nfs/dbraw/zinc/05/43/71/1028054371.db2.gz MCWLADLPVINZED-UHFFFAOYSA-N 2 2 321.534 3.748 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1F ZINC000366213794 1028066172 /nfs/dbraw/zinc/06/61/72/1028066172.db2.gz YZYYWFOXTBDRPG-HIFRSBDPSA-N 2 2 317.408 3.567 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000779059091 1028102552 /nfs/dbraw/zinc/10/25/52/1028102552.db2.gz CLOWYHMAYRPEDQ-ZBEGNZNMSA-N 2 2 313.272 3.608 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000779059091 1028102562 /nfs/dbraw/zinc/10/25/62/1028102562.db2.gz CLOWYHMAYRPEDQ-ZBEGNZNMSA-N 2 2 313.272 3.608 20 0 DHADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](c1ccccc1)c1ccccn1 ZINC000367221078 1028150562 /nfs/dbraw/zinc/15/05/62/1028150562.db2.gz CIXIHNKBPYVBLC-UYAOXDASSA-N 2 2 309.457 3.587 20 0 DHADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](c1ccccc1)c1ccccn1 ZINC000367221078 1028150570 /nfs/dbraw/zinc/15/05/70/1028150570.db2.gz CIXIHNKBPYVBLC-UYAOXDASSA-N 2 2 309.457 3.587 20 0 DHADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](c1ccccc1)c1ccccn1 ZINC000367221078 1028150577 /nfs/dbraw/zinc/15/05/77/1028150577.db2.gz CIXIHNKBPYVBLC-UYAOXDASSA-N 2 2 309.457 3.587 20 0 DHADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](c1ccccc1)c1ccccn1 ZINC000367221078 1028150584 /nfs/dbraw/zinc/15/05/84/1028150584.db2.gz CIXIHNKBPYVBLC-UYAOXDASSA-N 2 2 309.457 3.587 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC12CCOCC2)c1ccccc1 ZINC000367260785 1028153127 /nfs/dbraw/zinc/15/31/27/1028153127.db2.gz RZEIXGJDCQTGMU-RTBURBONSA-N 2 2 316.489 3.618 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1C(F)(F)F ZINC000367998519 1028273903 /nfs/dbraw/zinc/27/39/03/1028273903.db2.gz UEVFVSMNXXYODE-WDEREUQCSA-N 2 2 309.335 3.637 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(-c2ccncc2)c1 ZINC000368100846 1028300157 /nfs/dbraw/zinc/30/01/57/1028300157.db2.gz INUOYSAMNJYWEC-KSSFIOAISA-N 2 2 318.424 3.680 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Cl)c1Cl ZINC000368103802 1028302468 /nfs/dbraw/zinc/30/24/68/1028302468.db2.gz YTQZFTHEKDYLQU-ZJUUUORDSA-N 2 2 310.228 3.925 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(F)F)cc1 ZINC000368104366 1028303023 /nfs/dbraw/zinc/30/30/23/1028303023.db2.gz FLJOWAVMOXOHJQ-GXTWGEPZSA-N 2 2 321.371 3.609 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103806 1028303408 /nfs/dbraw/zinc/30/34/08/1028303408.db2.gz YVIGJEWKJWRBBI-FZMZJTMJSA-N 2 2 323.362 3.507 20 0 DHADLP COCC1CCC([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000449057508 1028320456 /nfs/dbraw/zinc/32/04/56/1028320456.db2.gz CPMDOGGKDNCFGP-UUKMXZOPSA-N 2 2 316.489 3.618 20 0 DHADLP COc1cc2ccccc2cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000449069506 1028329819 /nfs/dbraw/zinc/32/98/19/1028329819.db2.gz XMCKCVSQZDLPCE-UHFFFAOYSA-N 2 2 312.457 3.811 20 0 DHADLP FC(F)(F)c1cccc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000368349350 1028339770 /nfs/dbraw/zinc/33/97/70/1028339770.db2.gz RKKDIYOJNUYHHM-HNNXBMFYSA-N 2 2 323.362 3.782 20 0 DHADLP FC(F)(F)c1cccc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000368349350 1028339788 /nfs/dbraw/zinc/33/97/88/1028339788.db2.gz RKKDIYOJNUYHHM-HNNXBMFYSA-N 2 2 323.362 3.782 20 0 DHADLP Cc1cc(C[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cs1 ZINC000449118858 1028374273 /nfs/dbraw/zinc/37/42/73/1028374273.db2.gz ZNIDPZSYNOXSIT-CQSZACIVSA-N 2 2 303.475 3.655 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000449152484 1028404585 /nfs/dbraw/zinc/40/45/85/1028404585.db2.gz FXOULAUDBPZYBP-LZLYRXPVSA-N 2 2 310.526 3.680 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)CC[N@@H+]1C ZINC000449173115 1028414580 /nfs/dbraw/zinc/41/45/80/1028414580.db2.gz NEXJKTBAADYSOC-STQMWFEESA-N 2 2 319.449 3.522 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)CC[N@H+]1C ZINC000449173115 1028414582 /nfs/dbraw/zinc/41/45/82/1028414582.db2.gz NEXJKTBAADYSOC-STQMWFEESA-N 2 2 319.449 3.522 20 0 DHADLP COc1cccc2c(C[NH2+]C[C@H]3CCCn4cc[nH+]c43)cccc12 ZINC000449166407 1028424842 /nfs/dbraw/zinc/42/48/42/1028424842.db2.gz CQFWXFIAAOHGHY-MRXNPFEDSA-N 2 2 321.424 3.712 20 0 DHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000449187969 1028428223 /nfs/dbraw/zinc/42/82/23/1028428223.db2.gz FECYTCVWIGXFNE-UHFFFAOYSA-N 2 2 321.484 3.990 20 0 DHADLP c1cc(-c2ccccc2)sc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000579577551 1028441967 /nfs/dbraw/zinc/44/19/67/1028441967.db2.gz FCDRQGKIGNLFJX-AWEZNQCLSA-N 2 2 309.438 3.785 20 0 DHADLP C[N@@H+](Cc1c(Cl)ccc2cccnc21)C[C@@H]1CCC[NH+](C)C1 ZINC000118843436 1028525085 /nfs/dbraw/zinc/52/50/85/1028525085.db2.gz PVZIYXVOKHTEQH-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP C[N@H+](Cc1c(Cl)ccc2cccnc21)C[C@@H]1CCC[NH+](C)C1 ZINC000118843436 1028525095 /nfs/dbraw/zinc/52/50/95/1028525095.db2.gz PVZIYXVOKHTEQH-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP C[NH+](Cc1c(Cl)ccc2cccnc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843436 1028525110 /nfs/dbraw/zinc/52/51/10/1028525110.db2.gz PVZIYXVOKHTEQH-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP C[NH+](Cc1c(Cl)ccc2cccnc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843436 1028525124 /nfs/dbraw/zinc/52/51/24/1028525124.db2.gz PVZIYXVOKHTEQH-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP Clc1ccc([C@@H]2CC[C@@H]([NH2+][C@H]3CCc4[nH+]c[nH]c4C3)C2)cc1 ZINC000449331708 1028542026 /nfs/dbraw/zinc/54/20/26/1028542026.db2.gz AOVZBUFDYDXTLH-BMFZPTHFSA-N 2 2 315.848 3.846 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000370115769 1028566297 /nfs/dbraw/zinc/56/62/97/1028566297.db2.gz YRXYNIKBYGQVLD-IEBWSBKVSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000370115769 1028566312 /nfs/dbraw/zinc/56/63/12/1028566312.db2.gz YRXYNIKBYGQVLD-IEBWSBKVSA-N 2 2 315.505 3.852 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000370494813 1028610291 /nfs/dbraw/zinc/61/02/91/1028610291.db2.gz KSPZZNRJZHJLIF-ZWKOTPCHSA-N 3 2 318.509 3.518 20 0 DHADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370576886 1028621734 /nfs/dbraw/zinc/62/17/34/1028621734.db2.gz ANFGAEHWKAFFOT-UYAOXDASSA-N 2 2 323.484 3.953 20 0 DHADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000370576886 1028621738 /nfs/dbraw/zinc/62/17/38/1028621738.db2.gz ANFGAEHWKAFFOT-UYAOXDASSA-N 2 2 323.484 3.953 20 0 DHADLP Cc1sc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1-c1ccccc1 ZINC000370675934 1028633700 /nfs/dbraw/zinc/63/37/00/1028633700.db2.gz GTHANRZXEYMGCO-XJKSGUPXSA-N 2 2 315.486 3.691 20 0 DHADLP Cc1sc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc1-c1ccccc1 ZINC000370675934 1028633707 /nfs/dbraw/zinc/63/37/07/1028633707.db2.gz GTHANRZXEYMGCO-XJKSGUPXSA-N 2 2 315.486 3.691 20 0 DHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C/C=C\c2ccncc2)CCC1 ZINC000449473687 1028674916 /nfs/dbraw/zinc/67/49/16/1028674916.db2.gz IGSBPYVSABQHKF-UITAMQMPSA-N 2 2 321.468 3.739 20 0 DHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C/C=C\c2ccncc2)CCC1 ZINC000449473687 1028674924 /nfs/dbraw/zinc/67/49/24/1028674924.db2.gz IGSBPYVSABQHKF-UITAMQMPSA-N 2 2 321.468 3.739 20 0 DHADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1F ZINC000371311415 1028688964 /nfs/dbraw/zinc/68/89/64/1028688964.db2.gz WFYCIRULLQLVMX-ZFWWWQNUSA-N 2 2 317.408 3.567 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000371541403 1028728209 /nfs/dbraw/zinc/72/82/09/1028728209.db2.gz AWECNDAGTCZYCE-INIZCTEOSA-N 2 2 318.852 3.892 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000371541403 1028728222 /nfs/dbraw/zinc/72/82/22/1028728222.db2.gz AWECNDAGTCZYCE-INIZCTEOSA-N 2 2 318.852 3.892 20 0 DHADLP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000371811762 1028761221 /nfs/dbraw/zinc/76/12/21/1028761221.db2.gz XJGZJICWKDJWBX-JKSUJKDBSA-N 2 2 322.518 3.507 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccc(F)c3)CCCCC2)n1C ZINC000566690226 1028766210 /nfs/dbraw/zinc/76/62/10/1028766210.db2.gz IRLCUTKEBYMZQN-UHFFFAOYSA-N 2 2 315.436 3.859 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)C1CCCC1 ZINC000372680654 1028882178 /nfs/dbraw/zinc/88/21/78/1028882178.db2.gz ITEYVYZVYZSKNZ-SFHVURJKSA-N 2 2 322.518 3.507 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1csc(C(C)(C)C)n1)CCC2 ZINC000372946428 1028923496 /nfs/dbraw/zinc/92/34/96/1028923496.db2.gz JTDAXDUZRIAXQW-CYBMUJFWSA-N 2 2 318.490 3.613 20 0 DHADLP Cc1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000628217709 1028945239 /nfs/dbraw/zinc/94/52/39/1028945239.db2.gz HNFLFTNVUAZSMT-YOEHRIQHSA-N 2 2 319.474 3.526 20 0 DHADLP Cc1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000628217709 1028945261 /nfs/dbraw/zinc/94/52/61/1028945261.db2.gz HNFLFTNVUAZSMT-YOEHRIQHSA-N 2 2 319.474 3.526 20 0 DHADLP c1coc([C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)c2ccccc2)c1 ZINC000373261438 1028990510 /nfs/dbraw/zinc/99/05/10/1028990510.db2.gz VKEIFADHGQUKQB-AEFFLSMTSA-N 2 2 307.397 3.733 20 0 DHADLP C[C@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)n1c[nH+]c2c1CCCC2 ZINC000628371945 1029019876 /nfs/dbraw/zinc/01/98/76/1029019876.db2.gz PJDSUEBFFLIJPJ-AEFFLSMTSA-N 2 2 309.457 3.845 20 0 DHADLP C[C@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)n1c[nH+]c2c1CCCC2 ZINC000628371945 1029019889 /nfs/dbraw/zinc/01/98/89/1029019889.db2.gz PJDSUEBFFLIJPJ-AEFFLSMTSA-N 2 2 309.457 3.845 20 0 DHADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000373384625 1029029721 /nfs/dbraw/zinc/02/97/21/1029029721.db2.gz NUYXDNJNUYHKPQ-GTAWCEEGSA-N 2 2 315.505 3.879 20 0 DHADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000373384625 1029029736 /nfs/dbraw/zinc/02/97/36/1029029736.db2.gz NUYXDNJNUYHKPQ-GTAWCEEGSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)cc(Cl)c1 ZINC000568334187 1029050347 /nfs/dbraw/zinc/05/03/47/1029050347.db2.gz SKKSYHZPICHPSG-TVQRCGJNSA-N 2 2 310.228 3.925 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@@H]3CC=CCC3)C2)CC1 ZINC000373487443 1029059848 /nfs/dbraw/zinc/05/98/48/1029059848.db2.gz VXUVANQROIAOIT-IUDNXUCKSA-N 2 2 316.411 3.738 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)cc1N(C)C ZINC000373524446 1029071935 /nfs/dbraw/zinc/07/19/35/1029071935.db2.gz SIXMXPIEUFXLSA-OOHWJJMZSA-N 2 2 319.468 3.559 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)CC1(C)C ZINC000623400085 1029078189 /nfs/dbraw/zinc/07/81/89/1029078189.db2.gz INACWMHDSJWJNN-MOPGFXCFSA-N 2 2 309.457 3.633 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccnc2)CC1(C)C ZINC000623400085 1029078203 /nfs/dbraw/zinc/07/82/03/1029078203.db2.gz INACWMHDSJWJNN-MOPGFXCFSA-N 2 2 309.457 3.633 20 0 DHADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)[nH+]1 ZINC000374235535 1029249895 /nfs/dbraw/zinc/24/98/95/1029249895.db2.gz LJCGGSAZHLEDFO-HNNXBMFYSA-N 2 2 322.412 3.608 20 0 DHADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nc3ccccc3o2)[nH+]1 ZINC000374235535 1029249908 /nfs/dbraw/zinc/24/99/08/1029249908.db2.gz LJCGGSAZHLEDFO-HNNXBMFYSA-N 2 2 322.412 3.608 20 0 DHADLP FC(F)(F)Sc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000817866314 1029266361 /nfs/dbraw/zinc/26/63/61/1029266361.db2.gz YIFYABNZOQEEKA-UHFFFAOYSA-N 2 2 316.392 3.626 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000817951150 1029295655 /nfs/dbraw/zinc/29/56/55/1029295655.db2.gz AGPCPYHBOOVUBD-DOMZBBRYSA-N 2 2 312.429 3.720 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(s1)CCCC2 ZINC000570090546 1029312996 /nfs/dbraw/zinc/31/29/96/1029312996.db2.gz NCPLLGUTUXPCPQ-YPMHNXCESA-N 2 2 301.459 3.558 20 0 DHADLP C[N@@H+](Cc1ccsc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000529523665 1029373460 /nfs/dbraw/zinc/37/34/60/1029373460.db2.gz AZGVQKWHXCMIPT-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[N@H+](Cc1ccsc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000529523665 1029373476 /nfs/dbraw/zinc/37/34/76/1029373476.db2.gz AZGVQKWHXCMIPT-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1ccsc1C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000529523665 1029373489 /nfs/dbraw/zinc/37/34/89/1029373489.db2.gz AZGVQKWHXCMIPT-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1ccsc1C(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000529523665 1029373501 /nfs/dbraw/zinc/37/35/01/1029373501.db2.gz AZGVQKWHXCMIPT-NSHDSACASA-N 2 2 306.397 3.541 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2ccsc2C(F)(F)F)CC1 ZINC000529520777 1029369538 /nfs/dbraw/zinc/36/95/38/1029369538.db2.gz LQTVBLMFAFEMNV-UHFFFAOYSA-N 2 2 306.397 3.683 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2ccsc2C(F)(F)F)CC1 ZINC000529520777 1029369546 /nfs/dbraw/zinc/36/95/46/1029369546.db2.gz LQTVBLMFAFEMNV-UHFFFAOYSA-N 2 2 306.397 3.683 20 0 DHADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562906 1029370515 /nfs/dbraw/zinc/37/05/15/1029370515.db2.gz OGQNBFLBXJSCRP-OSMZGAPFSA-N 2 2 320.786 3.860 20 0 DHADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562906 1029370530 /nfs/dbraw/zinc/37/05/30/1029370530.db2.gz OGQNBFLBXJSCRP-OSMZGAPFSA-N 2 2 320.786 3.860 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000629561204 1029372929 /nfs/dbraw/zinc/37/29/29/1029372929.db2.gz GTKAAZQDLQUPPF-OLZOCXBDSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000629561204 1029372942 /nfs/dbraw/zinc/37/29/42/1029372942.db2.gz GTKAAZQDLQUPPF-OLZOCXBDSA-N 2 2 320.786 3.608 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCc1ccc(F)cc1)CCC2 ZINC000374576650 1029390712 /nfs/dbraw/zinc/39/07/12/1029390712.db2.gz PPBWYDALQGFRKS-WMLDXEAASA-N 2 2 315.436 3.819 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccsc3C(F)(F)F)CC[C@@H]21 ZINC000529537994 1029401863 /nfs/dbraw/zinc/40/18/63/1029401863.db2.gz XCPSPZWQXVXVJX-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccsc3C(F)(F)F)CC[C@@H]21 ZINC000529537994 1029401871 /nfs/dbraw/zinc/40/18/71/1029401871.db2.gz XCPSPZWQXVXVJX-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccsc3C(F)(F)F)CC[C@@H]21 ZINC000529537994 1029401874 /nfs/dbraw/zinc/40/18/74/1029401874.db2.gz XCPSPZWQXVXVJX-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccsc3C(F)(F)F)CC[C@@H]21 ZINC000529537994 1029401880 /nfs/dbraw/zinc/40/18/80/1029401880.db2.gz XCPSPZWQXVXVJX-AAEUAGOBSA-N 2 2 318.408 3.683 20 0 DHADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001170911549 1029425506 /nfs/dbraw/zinc/42/55/06/1029425506.db2.gz YDTCNBQZOADPRI-IRXDYDNUSA-N 2 2 318.892 3.661 20 0 DHADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001170911549 1029425511 /nfs/dbraw/zinc/42/55/11/1029425511.db2.gz YDTCNBQZOADPRI-IRXDYDNUSA-N 2 2 318.892 3.661 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000374859346 1029479486 /nfs/dbraw/zinc/47/94/86/1029479486.db2.gz WGXYKXJWPFELMX-HOTGVXAUSA-N 2 2 312.413 3.788 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000374859346 1029479500 /nfs/dbraw/zinc/47/95/00/1029479500.db2.gz WGXYKXJWPFELMX-HOTGVXAUSA-N 2 2 312.413 3.788 20 0 DHADLP C[N@@H+]1CC[C@@]2(CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)C2)C1 ZINC000450537484 1029544395 /nfs/dbraw/zinc/54/43/95/1029544395.db2.gz CTVILGFXIZNKRR-QGZVFWFLSA-N 2 2 319.811 3.559 20 0 DHADLP C[N@H+]1CC[C@@]2(CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)C2)C1 ZINC000450537484 1029544399 /nfs/dbraw/zinc/54/43/99/1029544399.db2.gz CTVILGFXIZNKRR-QGZVFWFLSA-N 2 2 319.811 3.559 20 0 DHADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000390195531 1029556031 /nfs/dbraw/zinc/55/60/31/1029556031.db2.gz UNCCZWYDFHPYHN-WOJBJXKFSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc2n1 ZINC000390195531 1029556036 /nfs/dbraw/zinc/55/60/36/1029556036.db2.gz UNCCZWYDFHPYHN-WOJBJXKFSA-N 2 2 309.457 3.650 20 0 DHADLP c1cn(CCCC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)c[nH+]1 ZINC000390937146 1029721937 /nfs/dbraw/zinc/72/19/37/1029721937.db2.gz JSOLFDBTJOXOHG-SFHVURJKSA-N 2 2 308.429 3.812 20 0 DHADLP Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2cn3c([nH+]2)CCCC3)c1 ZINC000820837921 1029778402 /nfs/dbraw/zinc/77/84/02/1029778402.db2.gz XYKRJNHYPSDWBZ-HNNXBMFYSA-N 2 2 312.461 3.763 20 0 DHADLP Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2cn3c([nH+]2)CCCC3)c1 ZINC000820837923 1029779002 /nfs/dbraw/zinc/77/90/02/1029779002.db2.gz XYKRJNHYPSDWBZ-OAHLLOKOSA-N 2 2 312.461 3.763 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000451158474 1029806728 /nfs/dbraw/zinc/80/67/28/1029806728.db2.gz LFXTXMKPCHZMMT-UHFFFAOYSA-N 2 2 317.436 3.917 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000451158474 1029806744 /nfs/dbraw/zinc/80/67/44/1029806744.db2.gz LFXTXMKPCHZMMT-UHFFFAOYSA-N 2 2 317.436 3.917 20 0 DHADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000530623045 1029931101 /nfs/dbraw/zinc/93/11/01/1029931101.db2.gz BVSWVZRZJMLSJT-OAHLLOKOSA-N 2 2 324.871 3.972 20 0 DHADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000530623045 1029931114 /nfs/dbraw/zinc/93/11/14/1029931114.db2.gz BVSWVZRZJMLSJT-OAHLLOKOSA-N 2 2 324.871 3.972 20 0 DHADLP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(Cl)c1 ZINC000290350203 1030011673 /nfs/dbraw/zinc/01/16/73/1030011673.db2.gz QCEWWPMQBCEARH-KRWDZBQOSA-N 2 2 324.896 3.880 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416092 1030040257 /nfs/dbraw/zinc/04/02/57/1030040257.db2.gz KIGWRBYRLVZDTF-IAQYHMDHSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416092 1030040272 /nfs/dbraw/zinc/04/02/72/1030040272.db2.gz KIGWRBYRLVZDTF-IAQYHMDHSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416092 1030040288 /nfs/dbraw/zinc/04/02/88/1030040288.db2.gz KIGWRBYRLVZDTF-IAQYHMDHSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000290416092 1030040304 /nfs/dbraw/zinc/04/03/04/1030040304.db2.gz KIGWRBYRLVZDTF-IAQYHMDHSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1nccc2ccccc21 ZINC000290606502 1030122197 /nfs/dbraw/zinc/12/21/97/1030122197.db2.gz HQDATPKRPKTKCM-HNNXBMFYSA-N 2 2 306.413 3.783 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ncco1 ZINC000924605871 1030137035 /nfs/dbraw/zinc/13/70/35/1030137035.db2.gz XPOUMAQXDSITRH-INIZCTEOSA-N 2 2 313.445 3.757 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643646 1030137898 /nfs/dbraw/zinc/13/78/98/1030137898.db2.gz YPMKXUQWGMWQOV-RISCZKNCSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643646 1030137907 /nfs/dbraw/zinc/13/79/07/1030137907.db2.gz YPMKXUQWGMWQOV-RISCZKNCSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643646 1030137912 /nfs/dbraw/zinc/13/79/12/1030137912.db2.gz YPMKXUQWGMWQOV-RISCZKNCSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000290643646 1030137916 /nfs/dbraw/zinc/13/79/16/1030137916.db2.gz YPMKXUQWGMWQOV-RISCZKNCSA-N 2 2 318.433 3.507 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245820332 1030144358 /nfs/dbraw/zinc/14/43/58/1030144358.db2.gz DTUHHGRIGQQJJL-KGLIPLIRSA-N 2 2 319.399 3.714 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245820332 1030144367 /nfs/dbraw/zinc/14/43/67/1030144367.db2.gz DTUHHGRIGQQJJL-KGLIPLIRSA-N 2 2 319.399 3.714 20 0 DHADLP c1c(CC[NH2+][C@@H](C2CCC2)C2CCCC2)[nH+]c2n1CCCC2 ZINC000924645340 1030148808 /nfs/dbraw/zinc/14/88/08/1030148808.db2.gz IMHSVFMEIKFNPZ-LJQANCHMSA-N 2 2 301.478 3.710 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)c1 ZINC000924651448 1030151874 /nfs/dbraw/zinc/15/18/74/1030151874.db2.gz XKTVKYPQLWLGSU-LAUBAEHRSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn2)c1 ZINC000924651448 1030151881 /nfs/dbraw/zinc/15/18/81/1030151881.db2.gz XKTVKYPQLWLGSU-LAUBAEHRSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000924650747 1030152847 /nfs/dbraw/zinc/15/28/47/1030152847.db2.gz UEWGHOMURXTITQ-UTKZUKDTSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000924650747 1030152850 /nfs/dbraw/zinc/15/28/50/1030152850.db2.gz UEWGHOMURXTITQ-UTKZUKDTSA-N 2 2 321.468 3.553 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000924696899 1030163560 /nfs/dbraw/zinc/16/35/60/1030163560.db2.gz QVGOLNCGKXHINU-HBMCJLEFSA-N 2 2 321.468 3.696 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000924696899 1030163565 /nfs/dbraw/zinc/16/35/65/1030163565.db2.gz QVGOLNCGKXHINU-HBMCJLEFSA-N 2 2 321.468 3.696 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)ccc1Cl ZINC000557522789 1030174341 /nfs/dbraw/zinc/17/43/41/1030174341.db2.gz BZZSWYRMEGILNC-IAQYHMDHSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)ccc1Cl ZINC000557522789 1030174348 /nfs/dbraw/zinc/17/43/48/1030174348.db2.gz BZZSWYRMEGILNC-IAQYHMDHSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)ccc1Cl ZINC000557522789 1030174355 /nfs/dbraw/zinc/17/43/55/1030174355.db2.gz BZZSWYRMEGILNC-IAQYHMDHSA-N 2 2 301.261 3.765 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)ccc1Cl ZINC000557522789 1030174364 /nfs/dbraw/zinc/17/43/64/1030174364.db2.gz BZZSWYRMEGILNC-IAQYHMDHSA-N 2 2 301.261 3.765 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccns2)cc1F ZINC000924775544 1030185272 /nfs/dbraw/zinc/18/52/72/1030185272.db2.gz JPWSWZXMSJCEEW-LLVKDONJSA-N 2 2 316.405 3.627 20 0 DHADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(C)ccc1OC ZINC000357800449 1030195466 /nfs/dbraw/zinc/19/54/66/1030195466.db2.gz WHEKXGWUWNWAFH-QGZVFWFLSA-N 2 2 313.445 3.942 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ncco1 ZINC000924861367 1030209069 /nfs/dbraw/zinc/20/90/69/1030209069.db2.gz NFYJPKHFUIXYPH-MRXNPFEDSA-N 2 2 313.445 3.901 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccns1 ZINC000925221385 1030307291 /nfs/dbraw/zinc/30/72/91/1030307291.db2.gz MOCUCKCZRWAPDZ-YQQAZPJKSA-N 2 2 315.486 3.704 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccns1 ZINC000925221385 1030307313 /nfs/dbraw/zinc/30/73/13/1030307313.db2.gz MOCUCKCZRWAPDZ-YQQAZPJKSA-N 2 2 315.486 3.704 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(OC)n1 ZINC000925222210 1030308546 /nfs/dbraw/zinc/30/85/46/1030308546.db2.gz VFZREZDRYMVZCP-KRWDZBQOSA-N 2 2 317.477 3.538 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(-c2ccccc2)no1 ZINC000925217088 1030309396 /nfs/dbraw/zinc/30/93/96/1030309396.db2.gz LYGIFONMCMDQEB-USXIJHARSA-N 2 2 313.445 3.865 20 0 DHADLP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[NH+]1CCCCC1 ZINC000823684174 1030364587 /nfs/dbraw/zinc/36/45/87/1030364587.db2.gz SPMKJWCTSLTRKR-MUYFXNHWSA-N 2 2 308.510 3.721 20 0 DHADLP C=Cc1ccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000291201701 1030396379 /nfs/dbraw/zinc/39/63/79/1030396379.db2.gz MCVZCGUYLNQNJO-UHFFFAOYSA-N 2 2 307.441 3.526 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000358239831 1030396524 /nfs/dbraw/zinc/39/65/24/1030396524.db2.gz PCSWQDPJVFDMTD-KXBFYZLASA-N 2 2 313.445 3.728 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1cc(C)ccc1OC ZINC000358282004 1030419131 /nfs/dbraw/zinc/41/91/31/1030419131.db2.gz DVJOBUDDDCBDBJ-BPQIPLTHSA-N 2 2 304.478 3.773 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)c1cc(C)ccc1OC ZINC000358282004 1030419138 /nfs/dbraw/zinc/41/91/38/1030419138.db2.gz DVJOBUDDDCBDBJ-BPQIPLTHSA-N 2 2 304.478 3.773 20 0 DHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000866707408 1030427693 /nfs/dbraw/zinc/42/76/93/1030427693.db2.gz NXOAQQSDNKFNPK-KRWDZBQOSA-N 2 2 319.474 3.600 20 0 DHADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000866707408 1030427698 /nfs/dbraw/zinc/42/76/98/1030427698.db2.gz NXOAQQSDNKFNPK-KRWDZBQOSA-N 2 2 319.474 3.600 20 0 DHADLP CC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1c(C)noc1C ZINC000925637621 1030429300 /nfs/dbraw/zinc/42/93/00/1030429300.db2.gz OWOVBDCHFPZWIZ-KRWDZBQOSA-N 2 2 307.482 3.843 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1 ZINC000925691658 1030454841 /nfs/dbraw/zinc/45/48/41/1030454841.db2.gz JJFRVFHXXFSXDW-UAFMIMERSA-N 2 2 316.489 3.605 20 0 DHADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1nsc2ccccc12)c1ccccc1 ZINC000925716380 1030463084 /nfs/dbraw/zinc/46/30/84/1030463084.db2.gz PFFPMNYYKXWKIH-UGSOOPFHSA-N 2 2 311.454 3.517 20 0 DHADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(Cl)n1 ZINC000925767304 1030487207 /nfs/dbraw/zinc/48/72/07/1030487207.db2.gz VGMUCUKZVRVDFZ-DLBZAZTESA-N 2 2 315.848 3.626 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(Cl)cc1 ZINC000925791892 1030497697 /nfs/dbraw/zinc/49/76/97/1030497697.db2.gz CWMXQFNAUQVYAO-DLBZAZTESA-N 2 2 322.880 3.539 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccnc(Cl)c1F ZINC000824389365 1030546442 /nfs/dbraw/zinc/54/64/42/1030546442.db2.gz LGMZFXQQPMHMBF-UHFFFAOYSA-N 2 2 324.831 3.545 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccnc(Cl)c1F ZINC000824389365 1030546452 /nfs/dbraw/zinc/54/64/52/1030546452.db2.gz LGMZFXQQPMHMBF-UHFFFAOYSA-N 2 2 324.831 3.545 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000247108149 1030676910 /nfs/dbraw/zinc/67/69/10/1030676910.db2.gz LEMYFESSHSXMFT-ZBFHGGJFSA-N 2 2 315.486 3.918 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000247108149 1030676917 /nfs/dbraw/zinc/67/69/17/1030676917.db2.gz LEMYFESSHSXMFT-ZBFHGGJFSA-N 2 2 315.486 3.918 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000247108149 1030676922 /nfs/dbraw/zinc/67/69/22/1030676922.db2.gz LEMYFESSHSXMFT-ZBFHGGJFSA-N 2 2 315.486 3.918 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000247108149 1030676930 /nfs/dbraw/zinc/67/69/30/1030676930.db2.gz LEMYFESSHSXMFT-ZBFHGGJFSA-N 2 2 315.486 3.918 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000247660706 1030701837 /nfs/dbraw/zinc/70/18/37/1030701837.db2.gz PXRDEWYHOGLOPG-NVXWUHKLSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000247660706 1030701855 /nfs/dbraw/zinc/70/18/55/1030701855.db2.gz PXRDEWYHOGLOPG-NVXWUHKLSA-N 2 2 322.412 3.621 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000247891874 1030707873 /nfs/dbraw/zinc/70/78/73/1030707873.db2.gz FNBBPEYZRUREJP-OXQOHEQNSA-N 2 2 309.457 3.884 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000247891874 1030707885 /nfs/dbraw/zinc/70/78/85/1030707885.db2.gz FNBBPEYZRUREJP-OXQOHEQNSA-N 2 2 309.457 3.884 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000248032489 1030714148 /nfs/dbraw/zinc/71/41/48/1030714148.db2.gz QUUPBJZLQZXSIA-HBGVWJBISA-N 2 2 321.468 3.569 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000248032489 1030714170 /nfs/dbraw/zinc/71/41/70/1030714170.db2.gz QUUPBJZLQZXSIA-HBGVWJBISA-N 2 2 321.468 3.569 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc3c(cc(C)cc3C)[nH]1)CCC2 ZINC000359017984 1030732749 /nfs/dbraw/zinc/73/27/49/1030732749.db2.gz WPTFVJBCLZNTJF-MRXNPFEDSA-N 2 2 322.456 3.957 20 0 DHADLP CCSc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449774 1030745566 /nfs/dbraw/zinc/74/55/66/1030745566.db2.gz HWDOPMZIBSGACK-UKRRQHHQSA-N 2 2 315.486 3.600 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000359064853 1030757282 /nfs/dbraw/zinc/75/72/82/1030757282.db2.gz BYJLAOVWLKRXRX-DOTOQJQBSA-N 2 2 315.505 3.564 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1C(C)(C)C1(C)C ZINC000359064853 1030757299 /nfs/dbraw/zinc/75/72/99/1030757299.db2.gz BYJLAOVWLKRXRX-DOTOQJQBSA-N 2 2 315.505 3.564 20 0 DHADLP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000249215433 1030793200 /nfs/dbraw/zinc/79/32/00/1030793200.db2.gz ZNHDYFJLMCVXNF-SJLPKXTDSA-N 2 2 303.494 3.564 20 0 DHADLP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000249215433 1030793212 /nfs/dbraw/zinc/79/32/12/1030793212.db2.gz ZNHDYFJLMCVXNF-SJLPKXTDSA-N 2 2 303.494 3.564 20 0 DHADLP Cc1ccc([C@H](C)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000152012986 1030798802 /nfs/dbraw/zinc/79/88/02/1030798802.db2.gz NUQGZDWDMNWLIK-QGZVFWFLSA-N 2 2 309.457 3.752 20 0 DHADLP c1csc([C@H]2C[C@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CCO2)c1 ZINC000926565507 1030800432 /nfs/dbraw/zinc/80/04/32/1030800432.db2.gz SWVPGGDGWAVTQD-YYIAUSFCSA-N 2 2 320.502 3.575 20 0 DHADLP c1csc([C@H]2C[C@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CCO2)c1 ZINC000926565507 1030800451 /nfs/dbraw/zinc/80/04/51/1030800451.db2.gz SWVPGGDGWAVTQD-YYIAUSFCSA-N 2 2 320.502 3.575 20 0 DHADLP Cc1[nH]c2ccc(-n3c4ccccc4c4c3C[C@H]([NH3+])CC4)cc2[nH+]1 ZINC001171094615 1030885701 /nfs/dbraw/zinc/88/57/01/1030885701.db2.gz PXCHECXRAXHUPB-CYBMUJFWSA-N 2 2 316.408 3.631 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000926752562 1030906591 /nfs/dbraw/zinc/90/65/91/1030906591.db2.gz AUDRBPLPGXORHC-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000926752562 1030906604 /nfs/dbraw/zinc/90/66/04/1030906604.db2.gz AUDRBPLPGXORHC-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000926762768 1030907432 /nfs/dbraw/zinc/90/74/32/1030907432.db2.gz PEJDLMNDIGXAKI-HNAYVOBHSA-N 2 2 316.489 3.582 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C(C)(C)O)cc1 ZINC000926762768 1030907446 /nfs/dbraw/zinc/90/74/46/1030907446.db2.gz PEJDLMNDIGXAKI-HNAYVOBHSA-N 2 2 316.489 3.582 20 0 DHADLP Cc1cc(F)ccc1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000926902755 1030978105 /nfs/dbraw/zinc/97/81/05/1030978105.db2.gz KCKWUTIEHYPRBL-HNNXBMFYSA-N 2 2 313.420 3.849 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccccc1OC(F)F ZINC000359590628 1031048675 /nfs/dbraw/zinc/04/86/75/1031048675.db2.gz IUVMTDJJBDQOFB-ZFWWWQNUSA-N 2 2 312.404 3.813 20 0 DHADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccccc1OC(F)F ZINC000359590628 1031048683 /nfs/dbraw/zinc/04/86/83/1031048683.db2.gz IUVMTDJJBDQOFB-ZFWWWQNUSA-N 2 2 312.404 3.813 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261976492 1031083247 /nfs/dbraw/zinc/08/32/47/1031083247.db2.gz QVSJADMHIUDFTG-ZFWWWQNUSA-N 2 2 322.880 3.688 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000261976492 1031083260 /nfs/dbraw/zinc/08/32/60/1031083260.db2.gz QVSJADMHIUDFTG-ZFWWWQNUSA-N 2 2 322.880 3.688 20 0 DHADLP Clc1ccc2c(c1)CC[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)C2 ZINC001171134906 1031222390 /nfs/dbraw/zinc/22/23/90/1031222390.db2.gz HPCTYTDWCNMILB-DOTOQJQBSA-N 2 2 315.848 3.734 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@H]3CC[C@@H](C)C3)sc2C1 ZINC000433036736 1031358317 /nfs/dbraw/zinc/35/83/17/1031358317.db2.gz YNQHDRCYGLWROS-KGLIPLIRSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@H]3CC[C@@H](C)C3)sc2C1 ZINC000433036736 1031358330 /nfs/dbraw/zinc/35/83/30/1031358330.db2.gz YNQHDRCYGLWROS-KGLIPLIRSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@H]3CC[C@@H](C)C3)sc2C1 ZINC000433036736 1031358341 /nfs/dbraw/zinc/35/83/41/1031358341.db2.gz YNQHDRCYGLWROS-KGLIPLIRSA-N 2 2 307.507 3.530 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@H]3CC[C@@H](C)C3)sc2C1 ZINC000433036736 1031358353 /nfs/dbraw/zinc/35/83/53/1031358353.db2.gz YNQHDRCYGLWROS-KGLIPLIRSA-N 2 2 307.507 3.530 20 0 DHADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144250914 1031392539 /nfs/dbraw/zinc/39/25/39/1031392539.db2.gz CDCDSSDPVNUHEC-UHFFFAOYSA-N 2 2 309.457 3.536 20 0 DHADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144250914 1031392547 /nfs/dbraw/zinc/39/25/47/1031392547.db2.gz CDCDSSDPVNUHEC-UHFFFAOYSA-N 2 2 309.457 3.536 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000379656513 1031432607 /nfs/dbraw/zinc/43/26/07/1031432607.db2.gz PIYUJPJAOJOSGO-FUHWJXTLSA-N 2 2 312.457 3.985 20 0 DHADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000379656513 1031432616 /nfs/dbraw/zinc/43/26/16/1031432616.db2.gz PIYUJPJAOJOSGO-FUHWJXTLSA-N 2 2 312.457 3.985 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cc(O)ccc1F ZINC000872061060 1031453843 /nfs/dbraw/zinc/45/38/43/1031453843.db2.gz VLKSHZWCNHDOCA-KKUMJFAQSA-N 2 2 320.452 3.835 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cc(O)ccc1F ZINC000872061060 1031453849 /nfs/dbraw/zinc/45/38/49/1031453849.db2.gz VLKSHZWCNHDOCA-KKUMJFAQSA-N 2 2 320.452 3.835 20 0 DHADLP CC1(C)C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccccc2S1 ZINC000872062910 1031458419 /nfs/dbraw/zinc/45/84/19/1031458419.db2.gz LPOXBFXPRQUAOL-DZGCQCFKSA-N 2 2 313.470 3.803 20 0 DHADLP CC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000872088268 1031485573 /nfs/dbraw/zinc/48/55/73/1031485573.db2.gz NKOJTZKDHSTKOK-PKOBYXMFSA-N 2 2 308.510 3.578 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000872107460 1031498472 /nfs/dbraw/zinc/49/84/72/1031498472.db2.gz MRZLKPPKEJMOOP-GGPKGHCWSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@@H]1C=CCC1 ZINC000872107460 1031498482 /nfs/dbraw/zinc/49/84/82/1031498482.db2.gz MRZLKPPKEJMOOP-GGPKGHCWSA-N 2 2 313.489 3.628 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925309424 1031533015 /nfs/dbraw/zinc/53/30/15/1031533015.db2.gz ZYAOULCDKVXNDC-MRXNPFEDSA-N 2 2 321.896 3.965 20 0 DHADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)CO1 ZINC001204869691 1031587196 /nfs/dbraw/zinc/58/71/96/1031587196.db2.gz GOWPZNLPDDFTTN-KRWDZBQOSA-N 2 2 320.864 3.544 20 0 DHADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)CO1 ZINC001204869691 1031587217 /nfs/dbraw/zinc/58/72/17/1031587217.db2.gz GOWPZNLPDDFTTN-KRWDZBQOSA-N 2 2 320.864 3.544 20 0 DHADLP Oc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361009523 1031674495 /nfs/dbraw/zinc/67/44/95/1031674495.db2.gz LAVQBJGTSNLYGO-LJQANCHMSA-N 2 2 319.408 3.745 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCC[C@H](C)C3)sc2C1 ZINC000361038877 1031690970 /nfs/dbraw/zinc/69/09/70/1031690970.db2.gz SJGTVFSDDNBHOR-AWEZNQCLSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCC[C@H](C)C3)sc2C1 ZINC000361038877 1031690979 /nfs/dbraw/zinc/69/09/79/1031690979.db2.gz SJGTVFSDDNBHOR-AWEZNQCLSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCC[C@H](C)C3)sc2C1 ZINC000361038877 1031690985 /nfs/dbraw/zinc/69/09/85/1031690985.db2.gz SJGTVFSDDNBHOR-AWEZNQCLSA-N 2 2 307.507 3.532 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCC[C@H](C)C3)sc2C1 ZINC000361038877 1031690990 /nfs/dbraw/zinc/69/09/90/1031690990.db2.gz SJGTVFSDDNBHOR-AWEZNQCLSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000361153766 1031759114 /nfs/dbraw/zinc/75/91/14/1031759114.db2.gz NJZGPUHRAMHADW-LIRRHRJNSA-N 2 2 300.446 3.839 20 0 DHADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873283384 1031787194 /nfs/dbraw/zinc/78/71/94/1031787194.db2.gz RUWLLYHRXPLBSZ-RYUDHWBXSA-N 2 2 321.774 3.503 20 0 DHADLP Cc1ccc(C)c(OCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000361399727 1031909751 /nfs/dbraw/zinc/90/97/51/1031909751.db2.gz IHYDXUSPPRJBRF-UHFFFAOYSA-N 2 2 313.445 3.675 20 0 DHADLP C[C@@H](C[NH+]1CCC([NH2+]C2CCC2)CC1)c1cc(F)cc(F)c1 ZINC000897982338 1031910686 /nfs/dbraw/zinc/91/06/86/1031910686.db2.gz KGADHVDZRPUENS-ZDUSSCGKSA-N 2 2 308.416 3.675 20 0 DHADLP FC1(F)CC[C@H](CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000898018062 1031919424 /nfs/dbraw/zinc/91/94/24/1031919424.db2.gz YJRXZYGJBAIXAN-GFCCVEGCSA-N 2 2 311.401 3.849 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000361482370 1031946557 /nfs/dbraw/zinc/94/65/57/1031946557.db2.gz XFMHATODLMMLCN-OAHLLOKOSA-N 2 2 307.397 3.732 20 0 DHADLP CCCC[N@H+](Cc1nocc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033237 1032016889 /nfs/dbraw/zinc/01/68/89/1032016889.db2.gz GKPKTPZYMNEPRP-UHFFFAOYSA-N 2 2 307.482 3.894 20 0 DHADLP CCCC[N@@H+](Cc1nocc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033237 1032016905 /nfs/dbraw/zinc/01/69/05/1032016905.db2.gz GKPKTPZYMNEPRP-UHFFFAOYSA-N 2 2 307.482 3.894 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@H](c3ccncc3)C3CC3)c2)c[nH+]1 ZINC000898321932 1032020892 /nfs/dbraw/zinc/02/08/92/1032020892.db2.gz FHZLOKDUVZZEAN-KRWDZBQOSA-N 2 2 310.426 3.570 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1sccc1Br ZINC000044532973 1032056771 /nfs/dbraw/zinc/05/67/71/1032056771.db2.gz DXZGJOMIRHMRHO-QWRGUYRKSA-N 2 2 317.296 3.503 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1sccc1Br ZINC000044532973 1032056782 /nfs/dbraw/zinc/05/67/82/1032056782.db2.gz DXZGJOMIRHMRHO-QWRGUYRKSA-N 2 2 317.296 3.503 20 0 DHADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001204094150 1033296706 /nfs/dbraw/zinc/29/67/06/1033296706.db2.gz ZSMCWGBPFVFVFU-UHFFFAOYSA-N 2 2 324.468 3.879 20 0 DHADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001204094150 1033296716 /nfs/dbraw/zinc/29/67/16/1033296716.db2.gz ZSMCWGBPFVFVFU-UHFFFAOYSA-N 2 2 324.468 3.879 20 0 DHADLP CC1(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCCC1 ZINC000877488697 1033319910 /nfs/dbraw/zinc/31/99/10/1033319910.db2.gz IHSIPKXXMWMOQG-UHFFFAOYSA-N 2 2 318.427 3.962 20 0 DHADLP Clc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH+]3CCCCC3)CC1)C2 ZINC001172716896 1033322944 /nfs/dbraw/zinc/32/29/44/1033322944.db2.gz SQAURHZDUHGCPC-IBGZPJMESA-N 2 2 318.892 3.758 20 0 DHADLP c1c2ccccc2oc1[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccnc1 ZINC000643522702 1033342317 /nfs/dbraw/zinc/34/23/17/1033342317.db2.gz RZDISQBVQFUYBK-YLJYHZDGSA-N 2 2 321.424 3.649 20 0 DHADLP CC[N@H+]([C@@H](C)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001172867281 1033407962 /nfs/dbraw/zinc/40/79/62/1033407962.db2.gz MCKZQTAIPZJRCX-ZDUSSCGKSA-N 2 2 312.860 3.826 20 0 DHADLP CC[N@@H+]([C@@H](C)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001172867281 1033407966 /nfs/dbraw/zinc/40/79/66/1033407966.db2.gz MCKZQTAIPZJRCX-ZDUSSCGKSA-N 2 2 312.860 3.826 20 0 DHADLP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)CC2 ZINC001172843949 1033415919 /nfs/dbraw/zinc/41/59/19/1033415919.db2.gz VLWMQKLCFVZNST-PXNSSMCTSA-N 2 2 300.490 3.562 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1OC(F)(F)F ZINC000151113964 1033419555 /nfs/dbraw/zinc/41/95/55/1033419555.db2.gz JWWGCINBDVHGEH-LBPRGKRZSA-N 2 2 313.323 3.523 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+]CCCn3cc[nH+]c3)c(C)c2c1 ZINC000151139813 1033419851 /nfs/dbraw/zinc/41/98/51/1033419851.db2.gz GGKFLZNZBDKCKU-AWEZNQCLSA-N 2 2 313.401 3.687 20 0 DHADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1OC(F)F ZINC000151144656 1033421192 /nfs/dbraw/zinc/42/11/92/1033421192.db2.gz ZSBKNCWKEBJYGD-AWEZNQCLSA-N 2 2 309.360 3.616 20 0 DHADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000877743965 1033432212 /nfs/dbraw/zinc/43/22/12/1033432212.db2.gz ZCLYZECNQYLXJM-DZGCQCFKSA-N 2 2 312.429 3.527 20 0 DHADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000877743965 1033432217 /nfs/dbraw/zinc/43/22/17/1033432217.db2.gz ZCLYZECNQYLXJM-DZGCQCFKSA-N 2 2 312.429 3.527 20 0 DHADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000877743965 1033432221 /nfs/dbraw/zinc/43/22/21/1033432221.db2.gz ZCLYZECNQYLXJM-DZGCQCFKSA-N 2 2 312.429 3.527 20 0 DHADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000877743965 1033432225 /nfs/dbraw/zinc/43/22/25/1033432225.db2.gz ZCLYZECNQYLXJM-DZGCQCFKSA-N 2 2 312.429 3.527 20 0 DHADLP c1cn(-c2ccccc2C[NH2+][C@H]2CCCOc3ccccc32)c[nH+]1 ZINC000152250518 1033511692 /nfs/dbraw/zinc/51/16/92/1033511692.db2.gz ZUVCTSTUMHBKIO-SFHVURJKSA-N 2 2 319.408 3.876 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000152325901 1033559791 /nfs/dbraw/zinc/55/97/91/1033559791.db2.gz SHYADHJNXUDQIN-AOIWGVFYSA-N 2 2 309.457 3.643 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000152325901 1033559799 /nfs/dbraw/zinc/55/97/99/1033559799.db2.gz SHYADHJNXUDQIN-AOIWGVFYSA-N 2 2 309.457 3.643 20 0 DHADLP Clc1cccc2c(NC[C@@H]3CC[N@@H+](C4CC4)C3)cc[nH+]c12 ZINC000552973241 1033570796 /nfs/dbraw/zinc/57/07/96/1033570796.db2.gz NUJYOTNNDQHLSX-LBPRGKRZSA-N 2 2 301.821 3.784 20 0 DHADLP Clc1cccc2c(NC[C@@H]3CC[N@H+](C4CC4)C3)cc[nH+]c12 ZINC000552973241 1033570805 /nfs/dbraw/zinc/57/08/05/1033570805.db2.gz NUJYOTNNDQHLSX-LBPRGKRZSA-N 2 2 301.821 3.784 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C2)[nH]1 ZINC000878252613 1033638345 /nfs/dbraw/zinc/63/83/45/1033638345.db2.gz PNYUFVDOAWPFJY-BZSNNMDCSA-N 2 2 311.429 3.509 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)C2)[nH]1 ZINC000878252613 1033638351 /nfs/dbraw/zinc/63/83/51/1033638351.db2.gz PNYUFVDOAWPFJY-BZSNNMDCSA-N 2 2 311.429 3.509 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000878345811 1033666157 /nfs/dbraw/zinc/66/61/57/1033666157.db2.gz XMZKEVNYGZYDLW-YJBOKZPZSA-N 2 2 311.429 3.625 20 0 DHADLP CC[C@@H]1CC[C@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001173278724 1033669645 /nfs/dbraw/zinc/66/96/45/1033669645.db2.gz MOPJIMPYLSYHFS-ZACQAIPSSA-N 2 2 318.509 3.679 20 0 DHADLP CC[C@@H]1CC[C@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001173278724 1033669653 /nfs/dbraw/zinc/66/96/53/1033669653.db2.gz MOPJIMPYLSYHFS-ZACQAIPSSA-N 2 2 318.509 3.679 20 0 DHADLP CC[C@@H]1CC[C@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001173278724 1033669659 /nfs/dbraw/zinc/66/96/59/1033669659.db2.gz MOPJIMPYLSYHFS-ZACQAIPSSA-N 2 2 318.509 3.679 20 0 DHADLP CC[C@@H]1CC[C@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001173278724 1033669666 /nfs/dbraw/zinc/66/96/66/1033669666.db2.gz MOPJIMPYLSYHFS-ZACQAIPSSA-N 2 2 318.509 3.679 20 0 DHADLP CC(C)Oc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000171109279 1033714650 /nfs/dbraw/zinc/71/46/50/1033714650.db2.gz DCWDXGWEFJCLDH-UHFFFAOYSA-N 2 2 302.462 3.534 20 0 DHADLP c1csc([C@@H]2CCC[N@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667482300 1033748755 /nfs/dbraw/zinc/74/87/55/1033748755.db2.gz ZROXGALXMQYDHW-INIZCTEOSA-N 2 2 310.426 3.666 20 0 DHADLP c1csc([C@@H]2CCC[N@@H+]2Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000667482300 1033748787 /nfs/dbraw/zinc/74/87/87/1033748787.db2.gz ZROXGALXMQYDHW-INIZCTEOSA-N 2 2 310.426 3.666 20 0 DHADLP Cc1ccc2c(C)cc(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)[nH+]c2c1 ZINC000553638414 1033765260 /nfs/dbraw/zinc/76/52/60/1033765260.db2.gz GMPFLZHFDDHRLH-SJPCQFCGSA-N 2 2 309.457 3.913 20 0 DHADLP Cc1ccc2c(C)cc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)[nH+]c2c1 ZINC000553638414 1033765273 /nfs/dbraw/zinc/76/52/73/1033765273.db2.gz GMPFLZHFDDHRLH-SJPCQFCGSA-N 2 2 309.457 3.913 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000174210030 1033912247 /nfs/dbraw/zinc/91/22/47/1033912247.db2.gz AEMXMWMCRWNVFE-MRXNPFEDSA-N 2 2 322.518 3.581 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000174210030 1033912250 /nfs/dbraw/zinc/91/22/50/1033912250.db2.gz AEMXMWMCRWNVFE-MRXNPFEDSA-N 2 2 322.518 3.581 20 0 DHADLP C[NH+](C)Cc1ccccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001173929707 1033992330 /nfs/dbraw/zinc/99/23/30/1033992330.db2.gz UTVFJXOASJIZIL-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)n1C ZINC000667617432 1034054153 /nfs/dbraw/zinc/05/41/53/1034054153.db2.gz RIKPGIOPEQYCRT-NRFANRHFSA-N 2 2 317.436 3.876 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)n1C ZINC000667617432 1034054167 /nfs/dbraw/zinc/05/41/67/1034054167.db2.gz RIKPGIOPEQYCRT-NRFANRHFSA-N 2 2 317.436 3.876 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000480093580 1034060487 /nfs/dbraw/zinc/06/04/87/1034060487.db2.gz PVJZAWOTQAOKPB-CVEARBPZSA-N 2 2 312.457 3.983 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000480093580 1034060499 /nfs/dbraw/zinc/06/04/99/1034060499.db2.gz PVJZAWOTQAOKPB-CVEARBPZSA-N 2 2 312.457 3.983 20 0 DHADLP COc1ccccc1[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000879731766 1034101446 /nfs/dbraw/zinc/10/14/46/1034101446.db2.gz OGNMXVXCCQANKT-QGZVFWFLSA-N 2 2 313.445 3.552 20 0 DHADLP COc1ccccc1[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000879731766 1034101451 /nfs/dbraw/zinc/10/14/51/1034101451.db2.gz OGNMXVXCCQANKT-QGZVFWFLSA-N 2 2 313.445 3.552 20 0 DHADLP c1cn(Cc2cccc(-c3cccc([C@@H]4CC[NH2+]C4)c3)c2)c[nH+]1 ZINC000863689735 1034177213 /nfs/dbraw/zinc/17/72/13/1034177213.db2.gz FNGAWEYGDAPKJT-HXUWFJFHSA-N 2 2 303.409 3.675 20 0 DHADLP C[NH2+]CC1(c2ccc(-c3cccc(Cn4cc[nH+]c4)c3)cc2)CC1 ZINC000863690846 1034179740 /nfs/dbraw/zinc/17/97/40/1034179740.db2.gz XISHOLNXBKQICD-UHFFFAOYSA-N 2 2 317.436 3.849 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccncc2C)CC1 ZINC000880254708 1034266825 /nfs/dbraw/zinc/26/68/25/1034266825.db2.gz LQVNTPILYDQGTG-UHFFFAOYSA-N 2 2 301.478 3.621 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2cnccc2C)CC1 ZINC000880255513 1034268003 /nfs/dbraw/zinc/26/80/03/1034268003.db2.gz NGKDQDICEXTZJQ-UHFFFAOYSA-N 2 2 301.478 3.621 20 0 DHADLP ClC1(Cl)C[C@@H]1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569002 1034363175 /nfs/dbraw/zinc/36/31/75/1034363175.db2.gz GJAMCNVCNVTTSA-LSDHHAIUSA-N 2 2 324.255 3.798 20 0 DHADLP CCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000880569256 1034364754 /nfs/dbraw/zinc/36/47/54/1034364754.db2.gz KEURXQTZCBEYEH-HXUWFJFHSA-N 2 2 321.424 3.813 20 0 DHADLP Fc1cccc(-c2ccc(C[NH2+]CCC[NH+]3CCCC3)o2)c1F ZINC000480662205 1034387307 /nfs/dbraw/zinc/38/73/07/1034387307.db2.gz JKBIYSWZRSFXOP-UHFFFAOYSA-N 2 2 320.383 3.800 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886422 1034390240 /nfs/dbraw/zinc/39/02/40/1034390240.db2.gz KAXBNMMBJLWBKX-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886422 1034390251 /nfs/dbraw/zinc/39/02/51/1034390251.db2.gz KAXBNMMBJLWBKX-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886422 1034390263 /nfs/dbraw/zinc/39/02/63/1034390263.db2.gz KAXBNMMBJLWBKX-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(C(F)(F)F)s2)C1 ZINC000554886422 1034390276 /nfs/dbraw/zinc/39/02/76/1034390276.db2.gz KAXBNMMBJLWBKX-WCQYABFASA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC(Oc2ccc(Nc3cc[nH+]c4[nH]ccc43)cc2)CC1 ZINC001174413065 1034398682 /nfs/dbraw/zinc/39/86/82/1034398682.db2.gz HYVLGXFJOVHRGH-UHFFFAOYSA-N 2 2 322.412 3.731 20 0 DHADLP Cc1c[nH+]ccc1Nc1cc[nH+]c2ccc(Br)cc12 ZINC001174537126 1034452494 /nfs/dbraw/zinc/45/24/94/1034452494.db2.gz XVLTWGIIHKPFMS-UHFFFAOYSA-N 2 2 314.186 3.866 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924751726 1034494255 /nfs/dbraw/zinc/49/42/55/1034494255.db2.gz LBRXANLVTHHGOH-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)c2cccnc2)C1 ZINC000924751726 1034494259 /nfs/dbraw/zinc/49/42/59/1034494259.db2.gz LBRXANLVTHHGOH-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP CCCc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000481077353 1034574002 /nfs/dbraw/zinc/57/40/02/1034574002.db2.gz PTHLTKRZECNIDW-LJQANCHMSA-N 2 2 311.473 3.827 20 0 DHADLP CCCc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000481077353 1034574014 /nfs/dbraw/zinc/57/40/14/1034574014.db2.gz PTHLTKRZECNIDW-LJQANCHMSA-N 2 2 311.473 3.827 20 0 DHADLP C[C@H](CCC1CC1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000186428208 1034629893 /nfs/dbraw/zinc/62/98/93/1034629893.db2.gz XNFRQUJCRNSMBZ-CVEARBPZSA-N 2 2 301.478 3.775 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccc(Cl)nc2)C2CCCC2)CC1 ZINC001137171049 1034709333 /nfs/dbraw/zinc/70/93/33/1034709333.db2.gz WAOIYAJDDHULLG-UHFFFAOYSA-N 2 2 307.869 3.574 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccc(Cl)nc2)C2CCCC2)CC1 ZINC001137171049 1034709345 /nfs/dbraw/zinc/70/93/45/1034709345.db2.gz WAOIYAJDDHULLG-UHFFFAOYSA-N 2 2 307.869 3.574 20 0 DHADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001175155955 1034817334 /nfs/dbraw/zinc/81/73/34/1034817334.db2.gz IYBJHPKHTZMARQ-UHFFFAOYSA-N 2 2 302.462 3.536 20 0 DHADLP CN(C)c1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c[nH+]1 ZINC001175341818 1034920517 /nfs/dbraw/zinc/92/05/17/1034920517.db2.gz LUSLFIDMDUSOII-UHFFFAOYSA-N 2 2 310.445 3.700 20 0 DHADLP CCCc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000482148519 1035060935 /nfs/dbraw/zinc/06/09/35/1035060935.db2.gz SQZIGJGFWBFFBU-LJQANCHMSA-N 2 2 311.473 3.827 20 0 DHADLP CCCc1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000482148519 1035060941 /nfs/dbraw/zinc/06/09/41/1035060941.db2.gz SQZIGJGFWBFFBU-LJQANCHMSA-N 2 2 311.473 3.827 20 0 DHADLP C[NH+](C)CCc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175716067 1035088801 /nfs/dbraw/zinc/08/88/01/1035088801.db2.gz SDYVWEGWAPBAKA-UHFFFAOYSA-N 2 2 324.350 3.530 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C2CC2)c2ccccc12 ZINC000482552025 1035131996 /nfs/dbraw/zinc/13/19/96/1035131996.db2.gz DVPOJGDOXFFTHA-LSDHHAIUSA-N 2 2 312.457 3.982 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C2CC2)c2ccccc12 ZINC000482552025 1035131998 /nfs/dbraw/zinc/13/19/98/1035131998.db2.gz DVPOJGDOXFFTHA-LSDHHAIUSA-N 2 2 312.457 3.982 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@@H]1CCOC1 ZINC000482952998 1035203992 /nfs/dbraw/zinc/20/39/92/1035203992.db2.gz VZLKCFIRIJCGNO-NXHRZFHOSA-N 2 2 304.478 3.521 20 0 DHADLP C[NH+](C)Cc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001176290249 1035235794 /nfs/dbraw/zinc/23/57/94/1035235794.db2.gz DFNVHEQFELVUEP-UHFFFAOYSA-N 2 2 300.793 3.793 20 0 DHADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000484466311 1035336329 /nfs/dbraw/zinc/33/63/29/1035336329.db2.gz JYWJDGTVJAZAPL-YJBOKZPZSA-N 2 2 322.518 3.563 20 0 DHADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)[C@@H](C)C1 ZINC000484473908 1035344183 /nfs/dbraw/zinc/34/41/83/1035344183.db2.gz JBPDVEJLAQLWNS-YRNRMSPPSA-N 2 2 309.457 3.739 20 0 DHADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)[C@@H](C)C1 ZINC000484473908 1035344185 /nfs/dbraw/zinc/34/41/85/1035344185.db2.gz JBPDVEJLAQLWNS-YRNRMSPPSA-N 2 2 309.457 3.739 20 0 DHADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC001177924514 1035399419 /nfs/dbraw/zinc/39/94/19/1035399419.db2.gz KOAIPQWEIAIYSY-FXAWDEMLSA-N 2 2 312.501 3.668 20 0 DHADLP Cc1cnc([C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC001177954239 1035403176 /nfs/dbraw/zinc/40/31/76/1035403176.db2.gz CZWBHDCAYYFETN-NSHDSACASA-N 2 2 304.444 3.550 20 0 DHADLP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1Br ZINC000904357880 1035404956 /nfs/dbraw/zinc/40/49/56/1035404956.db2.gz CUIIYADFJUCXJM-AWEZNQCLSA-N 2 2 323.278 3.522 20 0 DHADLP c1cn(-c2ccc(C[NH2+]CC3(Cc4ccccc4)CC3)cc2)c[nH+]1 ZINC001178244700 1035416343 /nfs/dbraw/zinc/41/63/43/1035416343.db2.gz UABCEMGUKQZJPG-UHFFFAOYSA-N 2 2 317.436 3.985 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000223015198 1035598706 /nfs/dbraw/zinc/59/87/06/1035598706.db2.gz ZMIRJVIBGGUQHT-MLGOLLRUSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000223015198 1035598714 /nfs/dbraw/zinc/59/87/14/1035598714.db2.gz ZMIRJVIBGGUQHT-MLGOLLRUSA-N 2 2 323.278 3.510 20 0 DHADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc2c(F)cccc2c1 ZINC001180098346 1035598754 /nfs/dbraw/zinc/59/87/54/1035598754.db2.gz LTKWXHQJRSYTCL-QGZVFWFLSA-N 2 2 315.436 3.680 20 0 DHADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc2c(F)cccc2c1 ZINC001180098346 1035598784 /nfs/dbraw/zinc/59/87/84/1035598784.db2.gz LTKWXHQJRSYTCL-QGZVFWFLSA-N 2 2 315.436 3.680 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnc2c(F)cccc2c1 ZINC001180098346 1035598790 /nfs/dbraw/zinc/59/87/90/1035598790.db2.gz LTKWXHQJRSYTCL-QGZVFWFLSA-N 2 2 315.436 3.680 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnc2c(F)cccc2c1 ZINC001180098346 1035598799 /nfs/dbraw/zinc/59/87/99/1035598799.db2.gz LTKWXHQJRSYTCL-QGZVFWFLSA-N 2 2 315.436 3.680 20 0 DHADLP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCOc3ccc(F)cc32)CC1 ZINC001180897840 1035792271 /nfs/dbraw/zinc/79/22/71/1035792271.db2.gz ZONQTCQQLRGAKH-SFHVURJKSA-N 2 2 320.452 3.749 20 0 DHADLP Clc1c2ccccc2sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261676878 1035802001 /nfs/dbraw/zinc/80/20/01/1035802001.db2.gz GJEUJDRTWWRBFJ-NWDGAFQWSA-N 2 2 306.862 3.596 20 0 DHADLP Clc1c2ccccc2sc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261676878 1035802011 /nfs/dbraw/zinc/80/20/11/1035802011.db2.gz GJEUJDRTWWRBFJ-NWDGAFQWSA-N 2 2 306.862 3.596 20 0 DHADLP Fc1ccc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CCC2)c(F)c1 ZINC000539646757 1035814353 /nfs/dbraw/zinc/81/43/53/1035814353.db2.gz DZYZQEMULJRCRM-UHFFFAOYSA-N 2 2 320.427 3.808 20 0 DHADLP Clc1ccsc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000193001322 1035828818 /nfs/dbraw/zinc/82/88/18/1035828818.db2.gz LMXBEHGPVMGHFN-UHFFFAOYSA-N 2 2 317.845 3.936 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000539742284 1035842288 /nfs/dbraw/zinc/84/22/88/1035842288.db2.gz YEWGKOABBBFFME-HNAYVOBHSA-N 2 2 324.472 3.639 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000539742284 1035842311 /nfs/dbraw/zinc/84/23/11/1035842311.db2.gz YEWGKOABBBFFME-HNAYVOBHSA-N 2 2 324.472 3.639 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C12CCCCC2 ZINC001181436644 1035923609 /nfs/dbraw/zinc/92/36/09/1035923609.db2.gz XJXUZMQMDACFHD-FGTMMUONSA-N 2 2 322.537 3.824 20 0 DHADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C12CCCCC2 ZINC001181436644 1035923621 /nfs/dbraw/zinc/92/36/21/1035923621.db2.gz XJXUZMQMDACFHD-FGTMMUONSA-N 2 2 322.537 3.824 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC001181435708 1035923898 /nfs/dbraw/zinc/92/38/98/1035923898.db2.gz HFIDELUMQOIECG-VJFUWPCTSA-N 2 2 304.453 3.782 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC001181435708 1035923906 /nfs/dbraw/zinc/92/39/06/1035923906.db2.gz HFIDELUMQOIECG-VJFUWPCTSA-N 2 2 304.453 3.782 20 0 DHADLP Cc1coc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001181699058 1035975992 /nfs/dbraw/zinc/97/59/92/1035975992.db2.gz YGFSVAABTUJIQL-HXUWFJFHSA-N 2 2 310.441 3.686 20 0 DHADLP Cc1coc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001181699058 1035976004 /nfs/dbraw/zinc/97/60/04/1035976004.db2.gz YGFSVAABTUJIQL-HXUWFJFHSA-N 2 2 310.441 3.686 20 0 DHADLP Cc1coc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001181699058 1035976014 /nfs/dbraw/zinc/97/60/14/1035976014.db2.gz YGFSVAABTUJIQL-HXUWFJFHSA-N 2 2 310.441 3.686 20 0 DHADLP Cc1coc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001181699058 1035976020 /nfs/dbraw/zinc/97/60/20/1035976020.db2.gz YGFSVAABTUJIQL-HXUWFJFHSA-N 2 2 310.441 3.686 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cnn(C2CCC2)c1 ZINC000924807318 1035990557 /nfs/dbraw/zinc/99/05/57/1035990557.db2.gz KCSRKGAZNFNQQZ-OAHLLOKOSA-N 2 2 321.428 3.645 20 0 DHADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC001181818973 1036004160 /nfs/dbraw/zinc/00/41/60/1036004160.db2.gz RGMGGBAQHLLQLQ-MAZHCROVSA-N 2 2 314.395 3.881 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906598782 1036030448 /nfs/dbraw/zinc/03/04/48/1036030448.db2.gz ZSUZWCVADGDZLW-QZTJIDSGSA-N 2 2 302.437 3.632 20 0 DHADLP CO[C@H](C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)CC(C)C ZINC001181912233 1036044439 /nfs/dbraw/zinc/04/44/39/1036044439.db2.gz BWOAOKTUKVNGCD-IBGZPJMESA-N 2 2 318.505 3.692 20 0 DHADLP CO[C@H](C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)CC(C)C ZINC001181912233 1036044461 /nfs/dbraw/zinc/04/44/61/1036044461.db2.gz BWOAOKTUKVNGCD-IBGZPJMESA-N 2 2 318.505 3.692 20 0 DHADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000540598807 1036110922 /nfs/dbraw/zinc/11/09/22/1036110922.db2.gz UNAQNITZHIDXLA-ZDUSSCGKSA-N 2 2 324.852 3.705 20 0 DHADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000540598807 1036110930 /nfs/dbraw/zinc/11/09/30/1036110930.db2.gz UNAQNITZHIDXLA-ZDUSSCGKSA-N 2 2 324.852 3.705 20 0 DHADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000494949482 1036149924 /nfs/dbraw/zinc/14/99/24/1036149924.db2.gz DOAZWRXFOVAOHV-KRWDZBQOSA-N 2 2 320.452 3.532 20 0 DHADLP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000494949482 1036149936 /nfs/dbraw/zinc/14/99/36/1036149936.db2.gz DOAZWRXFOVAOHV-KRWDZBQOSA-N 2 2 320.452 3.532 20 0 DHADLP CC(C)CCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495061358 1036203356 /nfs/dbraw/zinc/20/33/56/1036203356.db2.gz CKYATWGQGDSYRN-UYAOXDASSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)CCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495061358 1036203376 /nfs/dbraw/zinc/20/33/76/1036203376.db2.gz CKYATWGQGDSYRN-UYAOXDASSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)CCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495061358 1036203392 /nfs/dbraw/zinc/20/33/92/1036203392.db2.gz CKYATWGQGDSYRN-UYAOXDASSA-N 2 2 316.489 3.638 20 0 DHADLP CC(C)CCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000495061358 1036203410 /nfs/dbraw/zinc/20/34/10/1036203410.db2.gz CKYATWGQGDSYRN-UYAOXDASSA-N 2 2 316.489 3.638 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CCOCC1)c1ccccc1 ZINC000495058156 1036209091 /nfs/dbraw/zinc/20/90/91/1036209091.db2.gz IFGVYDGBIBCPFA-LSTDLKDCSA-N 2 2 316.489 3.521 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000495056839 1036209707 /nfs/dbraw/zinc/20/97/07/1036209707.db2.gz DBEWXIRIUHXLIO-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000495056839 1036209735 /nfs/dbraw/zinc/20/97/35/1036209735.db2.gz DBEWXIRIUHXLIO-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000495056839 1036209749 /nfs/dbraw/zinc/20/97/49/1036209749.db2.gz DBEWXIRIUHXLIO-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000495056839 1036209764 /nfs/dbraw/zinc/20/97/64/1036209764.db2.gz DBEWXIRIUHXLIO-CQSZACIVSA-N 2 2 310.869 3.512 20 0 DHADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)[C@H]2C1 ZINC000495131806 1036278406 /nfs/dbraw/zinc/27/84/06/1036278406.db2.gz ZMVVBFNQBYIVML-KDOFPFPSSA-N 2 2 314.404 3.612 20 0 DHADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)[C@H]2C1 ZINC000495131806 1036278418 /nfs/dbraw/zinc/27/84/18/1036278418.db2.gz ZMVVBFNQBYIVML-KDOFPFPSSA-N 2 2 314.404 3.612 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccc(F)cc4)o3)[C@H]2C1 ZINC000495131806 1036278432 /nfs/dbraw/zinc/27/84/32/1036278432.db2.gz ZMVVBFNQBYIVML-KDOFPFPSSA-N 2 2 314.404 3.612 20 0 DHADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc(F)cc4)o3)[C@H]2C1 ZINC000495131806 1036278444 /nfs/dbraw/zinc/27/84/44/1036278444.db2.gz ZMVVBFNQBYIVML-KDOFPFPSSA-N 2 2 314.404 3.612 20 0 DHADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000774441507 1036334753 /nfs/dbraw/zinc/33/47/53/1036334753.db2.gz JXAQHMWLDBKWPQ-WBMJQRKESA-N 2 2 323.278 3.510 20 0 DHADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2c1cccc2Br ZINC000774441507 1036334755 /nfs/dbraw/zinc/33/47/55/1036334755.db2.gz JXAQHMWLDBKWPQ-WBMJQRKESA-N 2 2 323.278 3.510 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001182845958 1036460985 /nfs/dbraw/zinc/46/09/85/1036460985.db2.gz YLKWZQRQRAATRK-ZBFHGGJFSA-N 2 2 306.519 3.802 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001182845958 1036460988 /nfs/dbraw/zinc/46/09/88/1036460988.db2.gz YLKWZQRQRAATRK-ZBFHGGJFSA-N 2 2 306.519 3.802 20 0 DHADLP C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001182873360 1036469314 /nfs/dbraw/zinc/46/93/14/1036469314.db2.gz JTJJVMJZYANFEB-RTBURBONSA-N 2 2 318.505 3.692 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001182919156 1036474533 /nfs/dbraw/zinc/47/45/33/1036474533.db2.gz VSQIMLZUWIJRPB-QAPCUYQASA-N 2 2 304.453 3.753 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001182919156 1036474540 /nfs/dbraw/zinc/47/45/40/1036474540.db2.gz VSQIMLZUWIJRPB-QAPCUYQASA-N 2 2 304.453 3.753 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001196631458 1036582911 /nfs/dbraw/zinc/58/29/11/1036582911.db2.gz GBEJTHTXUHCAGO-XWIAVFTESA-N 2 2 324.415 3.623 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001196631458 1036582921 /nfs/dbraw/zinc/58/29/21/1036582921.db2.gz GBEJTHTXUHCAGO-XWIAVFTESA-N 2 2 324.415 3.623 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001196631458 1036582927 /nfs/dbraw/zinc/58/29/27/1036582927.db2.gz GBEJTHTXUHCAGO-XWIAVFTESA-N 2 2 324.415 3.623 20 0 DHADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001196631458 1036582934 /nfs/dbraw/zinc/58/29/34/1036582934.db2.gz GBEJTHTXUHCAGO-XWIAVFTESA-N 2 2 324.415 3.623 20 0 DHADLP C[C@@]1(C[NH2+]C/C=C\c2ccncc2)CCC[N@@H+]1Cc1ccccc1 ZINC000487548555 1036678419 /nfs/dbraw/zinc/67/84/19/1036678419.db2.gz DLICMMUOLQUHHR-CTTRRDQISA-N 2 2 321.468 3.739 20 0 DHADLP C[C@@]1(C[NH2+]C/C=C\c2ccncc2)CCC[N@H+]1Cc1ccccc1 ZINC000487548555 1036678425 /nfs/dbraw/zinc/67/84/25/1036678425.db2.gz DLICMMUOLQUHHR-CTTRRDQISA-N 2 2 321.468 3.739 20 0 DHADLP Cc1ccnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000669941998 1036720181 /nfs/dbraw/zinc/72/01/81/1036720181.db2.gz PENKIGHENHCYIN-HXUWFJFHSA-N 2 2 323.484 3.780 20 0 DHADLP Cc1ccnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000669941998 1036720194 /nfs/dbraw/zinc/72/01/94/1036720194.db2.gz PENKIGHENHCYIN-HXUWFJFHSA-N 2 2 323.484 3.780 20 0 DHADLP CCSc1cccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001184364689 1036810466 /nfs/dbraw/zinc/81/04/66/1036810466.db2.gz WXMHPUOWNYIBRZ-UHFFFAOYSA-N 2 2 315.486 3.912 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205303680 1036899866 /nfs/dbraw/zinc/89/98/66/1036899866.db2.gz JJCWHUHDYDMXSP-PWSUYJOCSA-N 2 2 320.786 3.776 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC001205303680 1036899882 /nfs/dbraw/zinc/89/98/82/1036899882.db2.gz JJCWHUHDYDMXSP-PWSUYJOCSA-N 2 2 320.786 3.776 20 0 DHADLP C[N@H+](CCC[NH2+]Cc1cc(F)c(F)c(F)c1)C1CCCCC1 ZINC000237081111 1036990705 /nfs/dbraw/zinc/99/07/05/1036990705.db2.gz KOACUNFJJZRRSX-UHFFFAOYSA-N 2 2 314.395 3.848 20 0 DHADLP C[N@@H+](CCC[NH2+]Cc1cc(F)c(F)c(F)c1)C1CCCCC1 ZINC000237081111 1036990711 /nfs/dbraw/zinc/99/07/11/1036990711.db2.gz KOACUNFJJZRRSX-UHFFFAOYSA-N 2 2 314.395 3.848 20 0 DHADLP C[C@H](CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000237460830 1037012222 /nfs/dbraw/zinc/01/22/22/1037012222.db2.gz MBIJMOWIEADQBT-QGZVFWFLSA-N 2 2 309.457 3.834 20 0 DHADLP C[C@@H](CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000237563840 1037018217 /nfs/dbraw/zinc/01/82/17/1037018217.db2.gz MBIJMOWIEADQBT-KRWDZBQOSA-N 2 2 309.457 3.834 20 0 DHADLP FC(F)OC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000648817341 1037087306 /nfs/dbraw/zinc/08/73/06/1037087306.db2.gz OIHQFWQKMNVTMA-UHFFFAOYSA-N 2 2 321.371 3.512 20 0 DHADLP CCO[C@H](C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001198791818 1037135900 /nfs/dbraw/zinc/13/59/00/1037135900.db2.gz ZQORLNGGYHDPNH-FUHWJXTLSA-N 2 2 319.493 3.633 20 0 DHADLP CCO[C@H](C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C1CC1 ZINC001198791818 1037135905 /nfs/dbraw/zinc/13/59/05/1037135905.db2.gz ZQORLNGGYHDPNH-FUHWJXTLSA-N 2 2 319.493 3.633 20 0 DHADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C[NH3+] ZINC000397326355 1037284054 /nfs/dbraw/zinc/28/40/54/1037284054.db2.gz OXGUJSDKLQSBHJ-MBNYWOFBSA-N 2 2 321.515 3.677 20 0 DHADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1C[NH3+] ZINC000397326355 1037284068 /nfs/dbraw/zinc/28/40/68/1037284068.db2.gz OXGUJSDKLQSBHJ-MBNYWOFBSA-N 2 2 321.515 3.677 20 0 DHADLP COCCC[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000178455338 1037317238 /nfs/dbraw/zinc/31/72/38/1037317238.db2.gz ZZOKAOMTQHNCPJ-AZUAARDMSA-N 2 2 318.505 3.864 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H]2CCC=CO2)c(C)c1 ZINC000775031077 1037438823 /nfs/dbraw/zinc/43/88/23/1037438823.db2.gz AOTJKGGBCQERCY-IEBWSBKVSA-N 2 2 311.429 3.524 20 0 DHADLP C[NH+](C)[C@@]1(C[NH2+]Cc2cccc(CC3CCC3)c2)CCSC1 ZINC001200871820 1037453164 /nfs/dbraw/zinc/45/31/64/1037453164.db2.gz DVUAVBQYJBFKKN-LJQANCHMSA-N 2 2 318.530 3.556 20 0 DHADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000493898392 1037592280 /nfs/dbraw/zinc/59/22/80/1037592280.db2.gz WFNQGMXQUGCNGH-OXQOHEQNSA-N 2 2 321.424 3.738 20 0 DHADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCCCC4)CC[C@@H]32)n1 ZINC001201393776 1037626910 /nfs/dbraw/zinc/62/69/10/1037626910.db2.gz NKKHXJWIKQBQSG-SJORKVTESA-N 2 2 319.518 3.620 20 0 DHADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCCCC4)CC[C@@H]32)n1 ZINC001201393776 1037626929 /nfs/dbraw/zinc/62/69/29/1037626929.db2.gz NKKHXJWIKQBQSG-SJORKVTESA-N 2 2 319.518 3.620 20 0 DHADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCCCC4)CC[C@@H]32)n1 ZINC001201393776 1037626936 /nfs/dbraw/zinc/62/69/36/1037626936.db2.gz NKKHXJWIKQBQSG-SJORKVTESA-N 2 2 319.518 3.620 20 0 DHADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCCCC4)CC[C@@H]32)n1 ZINC001201393776 1037626943 /nfs/dbraw/zinc/62/69/43/1037626943.db2.gz NKKHXJWIKQBQSG-SJORKVTESA-N 2 2 319.518 3.620 20 0 DHADLP CCCC[C@H](CC)C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001201560327 1037777259 /nfs/dbraw/zinc/77/72/59/1037777259.db2.gz RWPIRALXLONTNE-DFQSSKMNSA-N 2 2 315.505 3.662 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000038098223 1037847812 /nfs/dbraw/zinc/84/78/12/1037847812.db2.gz YZTDASZNNFHCSA-LBPRGKRZSA-N 2 2 309.523 3.884 20 0 DHADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001205930621 1037905049 /nfs/dbraw/zinc/90/50/49/1037905049.db2.gz BLKGHEBOXZVQET-HNNXBMFYSA-N 2 2 304.821 3.913 20 0 DHADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC001205930621 1037905059 /nfs/dbraw/zinc/90/50/59/1037905059.db2.gz BLKGHEBOXZVQET-HNNXBMFYSA-N 2 2 304.821 3.913 20 0 DHADLP COCC[N@H+](CC[C@H](C)CCC=C(C)C)C1CC[NH+](C)CC1 ZINC001201972807 1037957875 /nfs/dbraw/zinc/95/78/75/1037957875.db2.gz JHYLWTSROCKOEL-GOSISDBHSA-N 2 2 310.526 3.802 20 0 DHADLP COCC[N@@H+](CC[C@H](C)CCC=C(C)C)C1CC[NH+](C)CC1 ZINC001201972807 1037957883 /nfs/dbraw/zinc/95/78/83/1037957883.db2.gz JHYLWTSROCKOEL-GOSISDBHSA-N 2 2 310.526 3.802 20 0 DHADLP Cc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)o1 ZINC000775202335 1037993244 /nfs/dbraw/zinc/99/32/44/1037993244.db2.gz HFLVKRFZNMCEOZ-UHFFFAOYSA-N 2 2 300.402 3.643 20 0 DHADLP CCc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000760658258 1038047015 /nfs/dbraw/zinc/04/70/15/1038047015.db2.gz IPWMKYPPJNPBSU-UHFFFAOYSA-N 2 2 304.478 3.976 20 0 DHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCCO2 ZINC000126452846 1038068307 /nfs/dbraw/zinc/06/83/07/1038068307.db2.gz PWNMBEDMCSEPAI-GOSISDBHSA-N 2 2 313.445 3.900 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(-c2ccncc2)cc1 ZINC000573256061 1038893345 /nfs/dbraw/zinc/89/33/45/1038893345.db2.gz XNPGDNUSYPEKOV-KBXCAEBGSA-N 2 2 318.424 3.680 20 0 DHADLP Nc1[nH+]cccc1CS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000603342630 1038933483 /nfs/dbraw/zinc/93/34/83/1038933483.db2.gz KKYPDGXLCJOAIH-QGZVFWFLSA-N 2 2 313.470 3.562 20 0 DHADLP Nc1[nH+]cccc1CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000603342630 1038933494 /nfs/dbraw/zinc/93/34/94/1038933494.db2.gz KKYPDGXLCJOAIH-QGZVFWFLSA-N 2 2 313.470 3.562 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725572 1039063960 /nfs/dbraw/zinc/06/39/60/1039063960.db2.gz CYSUHSDKDZWTLZ-TZMCWYRMSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725572 1039063965 /nfs/dbraw/zinc/06/39/65/1039063965.db2.gz CYSUHSDKDZWTLZ-TZMCWYRMSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725572 1039063980 /nfs/dbraw/zinc/06/39/80/1039063980.db2.gz CYSUHSDKDZWTLZ-TZMCWYRMSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000573725572 1039063992 /nfs/dbraw/zinc/06/39/92/1039063992.db2.gz CYSUHSDKDZWTLZ-TZMCWYRMSA-N 2 2 321.515 3.644 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000575102003 1040182326 /nfs/dbraw/zinc/18/23/26/1040182326.db2.gz JTAYJUUTRCGACX-LLVKDONJSA-N 2 2 320.318 3.951 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000608061181 1040357263 /nfs/dbraw/zinc/35/72/63/1040357263.db2.gz FHOWBBLTWCNALV-KGLIPLIRSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3F)o2)CC[N@H+]1C ZINC000608061181 1040357284 /nfs/dbraw/zinc/35/72/84/1040357284.db2.gz FHOWBBLTWCNALV-KGLIPLIRSA-N 2 2 302.393 3.658 20 0 DHADLP C[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)c1cccnc1 ZINC000092719642 185336135 /nfs/dbraw/zinc/33/61/35/185336135.db2.gz DJODHNNRBQFJFD-GDBMZVCRSA-N 2 2 301.459 3.631 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000563779661 335006240 /nfs/dbraw/zinc/00/62/40/335006240.db2.gz XKYRQKISNGMKHN-HXUWFJFHSA-N 2 2 310.441 3.570 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000563779661 335006242 /nfs/dbraw/zinc/00/62/42/335006242.db2.gz XKYRQKISNGMKHN-HXUWFJFHSA-N 2 2 310.441 3.570 20 0 DHADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000430709696 335014733 /nfs/dbraw/zinc/01/47/33/335014733.db2.gz OKOOLYUEYWQXJX-NUJGCVRESA-N 2 2 310.526 3.680 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000064616022 184301755 /nfs/dbraw/zinc/30/17/55/184301755.db2.gz JPEKNICYQVTJJI-OAHLLOKOSA-N 2 2 304.459 3.651 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000064616022 184301756 /nfs/dbraw/zinc/30/17/56/184301756.db2.gz JPEKNICYQVTJJI-OAHLLOKOSA-N 2 2 304.459 3.651 20 0 DHADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000272481196 130035763 /nfs/dbraw/zinc/03/57/63/130035763.db2.gz JJOXWTGZYVAXMM-RHSMWYFYSA-N 2 2 321.415 3.684 20 0 DHADLP Cc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272545127 130040489 /nfs/dbraw/zinc/04/04/89/130040489.db2.gz LFZCHIQWZTWZEH-UHFFFAOYSA-N 2 2 314.395 3.544 20 0 DHADLP C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000273197266 130096169 /nfs/dbraw/zinc/09/61/69/130096169.db2.gz IEHDQZDVAMXRME-BRWVUGGUSA-N 2 2 313.445 3.728 20 0 DHADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1nc2ccccc2n1C(F)F ZINC000275481557 130328009 /nfs/dbraw/zinc/32/80/09/130328009.db2.gz QKJRDEOGJAKUSE-STQMWFEESA-N 2 2 322.403 3.566 20 0 DHADLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1nc2ccccc2n1C(F)F ZINC000275481557 130328011 /nfs/dbraw/zinc/32/80/11/130328011.db2.gz QKJRDEOGJAKUSE-STQMWFEESA-N 2 2 322.403 3.566 20 0 DHADLP Cc1cccc(CCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000286381064 131233862 /nfs/dbraw/zinc/23/38/62/131233862.db2.gz APMAGOCHBQFCNS-QGZVFWFLSA-N 2 2 320.440 3.859 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340227258 131234091 /nfs/dbraw/zinc/23/40/91/131234091.db2.gz WZEOLQHFLCUHIX-USXIJHARSA-N 2 2 315.486 3.938 20 0 DHADLP Cc1csc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340227258 131234092 /nfs/dbraw/zinc/23/40/92/131234092.db2.gz WZEOLQHFLCUHIX-USXIJHARSA-N 2 2 315.486 3.938 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000287421259 131279817 /nfs/dbraw/zinc/27/98/17/131279817.db2.gz SGSBLWYUHISWKL-ZWOKBUDYSA-N 2 2 309.457 3.704 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287421259 131279818 /nfs/dbraw/zinc/27/98/18/131279818.db2.gz SGSBLWYUHISWKL-ZWOKBUDYSA-N 2 2 309.457 3.704 20 0 DHADLP C[C@@H]1CSC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000287496092 131283335 /nfs/dbraw/zinc/28/33/35/131283335.db2.gz NNZMBLPWIOGDHV-DYVFJYSZSA-N 2 2 324.921 3.646 20 0 DHADLP C[C@H]1[C@@H]([NH2+]CCCc2ccccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000340307586 131368500 /nfs/dbraw/zinc/36/85/00/131368500.db2.gz HABZDVXEKAEBCZ-RXVVDRJESA-N 2 2 323.484 3.657 20 0 DHADLP C[C@H]1[C@@H]([NH2+]CCCc2ccccn2)CCC[N@H+]1Cc1ccccc1 ZINC000340307586 131368502 /nfs/dbraw/zinc/36/85/02/131368502.db2.gz HABZDVXEKAEBCZ-RXVVDRJESA-N 2 2 323.484 3.657 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000289433739 131386475 /nfs/dbraw/zinc/38/64/75/131386475.db2.gz SFZJSDJVAVUWRJ-WQLSENKSSA-N 2 2 301.217 3.552 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000297359123 132012242 /nfs/dbraw/zinc/01/22/42/132012242.db2.gz FSIVDAZXEKAAHW-UHFFFAOYSA-N 2 2 303.837 3.528 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000297359123 132012243 /nfs/dbraw/zinc/01/22/43/132012243.db2.gz FSIVDAZXEKAAHW-UHFFFAOYSA-N 2 2 303.837 3.528 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000163821167 132124015 /nfs/dbraw/zinc/12/40/15/132124015.db2.gz MARAFGXSAGXNQW-LLVKDONJSA-N 2 2 309.335 3.652 20 0 DHADLP Cc1[nH+]ccn1CCCN(C)c1cc[nH+]c2ccc(Cl)cc21 ZINC000120210959 132143197 /nfs/dbraw/zinc/14/31/97/132143197.db2.gz DCBLQFBOFKWJEE-UHFFFAOYSA-N 2 2 314.820 3.920 20 0 DHADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OCc2ccccc2)cc1 ZINC000194336029 335067457 /nfs/dbraw/zinc/06/74/57/335067457.db2.gz BUINFGYLMDENAQ-QGZVFWFLSA-N 2 2 321.424 3.813 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)n1C ZINC000570943516 332915821 /nfs/dbraw/zinc/91/58/21/332915821.db2.gz XJIGQYLXKZPIDB-HNNXBMFYSA-N 2 2 311.351 3.554 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC[C@@H]2Oc2ccccc2C)n1C ZINC000584005347 331560720 /nfs/dbraw/zinc/56/07/20/331560720.db2.gz QGCVTAPSAMVDOK-MJGOQNOKSA-N 2 2 313.445 3.517 20 0 DHADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000556599960 331719169 /nfs/dbraw/zinc/71/91/69/331719169.db2.gz CWMKAGKFRSPKTH-MSOLQXFVSA-N 2 2 302.462 3.610 20 0 DHADLP C[C@@H](C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1)C[NH+]1CCCCC1 ZINC000556857765 331742379 /nfs/dbraw/zinc/74/23/79/331742379.db2.gz GMGRUTTVIIAWLR-FUHWJXTLSA-N 2 2 318.509 3.743 20 0 DHADLP C[NH+](C)C1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000091670522 332080662 /nfs/dbraw/zinc/08/06/62/332080662.db2.gz DBYSBUYYYBJDKK-UHFFFAOYSA-N 2 2 324.468 3.792 20 0 DHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)cccc2OC)C1 ZINC000093742027 332141990 /nfs/dbraw/zinc/14/19/90/332141990.db2.gz MAGQQUDOFJCQQX-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(Cl)cccc2OC)C1 ZINC000093742027 332141992 /nfs/dbraw/zinc/14/19/92/332141992.db2.gz MAGQQUDOFJCQQX-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC000093742027 332141994 /nfs/dbraw/zinc/14/19/94/332141994.db2.gz MAGQQUDOFJCQQX-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2OC)C1 ZINC000093742027 332141996 /nfs/dbraw/zinc/14/19/96/332141996.db2.gz MAGQQUDOFJCQQX-AWEZNQCLSA-N 2 2 310.869 3.512 20 0 DHADLP CC[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449433791 332185662 /nfs/dbraw/zinc/18/56/62/332185662.db2.gz NVKRVVPIXJWOHV-ZIAGYGMSSA-N 2 2 306.416 3.819 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)C2 ZINC000151017070 332199817 /nfs/dbraw/zinc/19/98/17/332199817.db2.gz BUHGVZGYWASTSF-DOMZBBRYSA-N 2 2 323.362 3.876 20 0 DHADLP CCCC[N@H+](C)CC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000531005706 332206516 /nfs/dbraw/zinc/20/65/16/332206516.db2.gz RJCPLXVFHKAJOK-UHFFFAOYSA-N 2 2 318.509 3.857 20 0 DHADLP CCCC[N@@H+](C)CC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000531005706 332206517 /nfs/dbraw/zinc/20/65/17/332206517.db2.gz RJCPLXVFHKAJOK-UHFFFAOYSA-N 2 2 318.509 3.857 20 0 DHADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372316 332233565 /nfs/dbraw/zinc/23/35/65/332233565.db2.gz XBIYYRRVNIBGQN-SJLPKXTDSA-N 2 2 317.477 3.553 20 0 DHADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000363757793 332241712 /nfs/dbraw/zinc/24/17/12/332241712.db2.gz OHHNCBNRMLNSIM-TZMCWYRMSA-N 2 2 318.490 3.747 20 0 DHADLP CC[C@](C)(C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)OC ZINC000449479083 332264926 /nfs/dbraw/zinc/26/49/26/332264926.db2.gz UAUKVBGQHKPDBP-GOSISDBHSA-N 2 2 324.896 3.709 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000560668332 332375935 /nfs/dbraw/zinc/37/59/35/332375935.db2.gz MTYDVIHGIXIBJW-GOEBONIOSA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000560668332 332375937 /nfs/dbraw/zinc/37/59/37/332375937.db2.gz MTYDVIHGIXIBJW-GOEBONIOSA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000560668332 332375938 /nfs/dbraw/zinc/37/59/38/332375938.db2.gz MTYDVIHGIXIBJW-GOEBONIOSA-N 2 2 324.415 3.513 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000560668332 332375940 /nfs/dbraw/zinc/37/59/40/332375940.db2.gz MTYDVIHGIXIBJW-GOEBONIOSA-N 2 2 324.415 3.513 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000560910235 332394038 /nfs/dbraw/zinc/39/40/38/332394038.db2.gz OALPOOCROHSPGB-MJGOQNOKSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C)CCCCC1 ZINC000560910235 332394039 /nfs/dbraw/zinc/39/40/39/332394039.db2.gz OALPOOCROHSPGB-MJGOQNOKSA-N 2 2 315.505 3.852 20 0 DHADLP COc1ccc([C@@H](C[NH2+]C2CC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000448072947 332491190 /nfs/dbraw/zinc/49/11/90/332491190.db2.gz XIGPIBBWHNWKBZ-LJQANCHMSA-N 2 2 314.473 3.754 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H](C)CC[NH+]2CCOCC2)C2CCC2)cc1 ZINC000427724626 332500747 /nfs/dbraw/zinc/50/07/47/332500747.db2.gz ZWWSPUQNZIBQPW-FXAWDEMLSA-N 2 2 316.489 3.537 20 0 DHADLP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427876172 332552612 /nfs/dbraw/zinc/55/26/12/332552612.db2.gz VCMXHFDZNRBBPQ-ABAIWWIYSA-N 2 2 322.239 3.782 20 0 DHADLP c1[nH+]c2n(c1C[NH2+]C1CCC(OC3CCCC3)CC1)CCCC2 ZINC000562522491 332601499 /nfs/dbraw/zinc/60/14/99/332601499.db2.gz GQTPTZDVFPPMEW-UHFFFAOYSA-N 2 2 317.477 3.579 20 0 DHADLP Cc1ccc2c(C)cc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)[nH+]c2c1 ZINC000460953569 333081080 /nfs/dbraw/zinc/08/10/80/333081080.db2.gz UXEHAJBDJQANEF-OAHLLOKOSA-N 2 2 306.413 3.959 20 0 DHADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc2cc[nH]c21 ZINC000309643055 333185379 /nfs/dbraw/zinc/18/53/79/333185379.db2.gz CQXVESSZSYXSIL-MRXNPFEDSA-N 2 2 307.441 3.778 20 0 DHADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc2cc[nH]c21 ZINC000309643055 333185380 /nfs/dbraw/zinc/18/53/80/333185380.db2.gz CQXVESSZSYXSIL-MRXNPFEDSA-N 2 2 307.441 3.778 20 0 DHADLP Cc1sccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000310020672 333215926 /nfs/dbraw/zinc/21/59/26/333215926.db2.gz RHDOUNPIDCPNPJ-RDTXWAMCSA-N 2 2 300.471 3.809 20 0 DHADLP Cc1sccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000310020672 333215929 /nfs/dbraw/zinc/21/59/29/333215929.db2.gz RHDOUNPIDCPNPJ-RDTXWAMCSA-N 2 2 300.471 3.809 20 0 DHADLP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000185926585 333215960 /nfs/dbraw/zinc/21/59/60/333215960.db2.gz RQAPNIOESRKLAH-MNOVXSKESA-N 2 2 321.412 3.687 20 0 DHADLP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1nc(C(F)(F)F)cs1 ZINC000185926585 333215962 /nfs/dbraw/zinc/21/59/62/333215962.db2.gz RQAPNIOESRKLAH-MNOVXSKESA-N 2 2 321.412 3.687 20 0 DHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccsc1 ZINC000382182900 333216227 /nfs/dbraw/zinc/21/62/27/333216227.db2.gz XYQYXENTGZNTBU-MRXNPFEDSA-N 2 2 301.459 3.853 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCC2(F)F)n1-c1ccccc1 ZINC000390567464 333301294 /nfs/dbraw/zinc/30/12/94/333301294.db2.gz NYSAABZZLRLBIK-AWEZNQCLSA-N 2 2 305.372 3.706 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390589156 333304113 /nfs/dbraw/zinc/30/41/13/333304113.db2.gz OMPXLLYPBNORHK-XLIONFOSSA-N 2 2 324.468 3.577 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390589156 333304114 /nfs/dbraw/zinc/30/41/14/333304114.db2.gz OMPXLLYPBNORHK-XLIONFOSSA-N 2 2 324.468 3.577 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)cc1 ZINC000120650463 333304234 /nfs/dbraw/zinc/30/42/34/333304234.db2.gz CPMVIMZMTYNREX-CQSZACIVSA-N 2 2 309.413 3.704 20 0 DHADLP FC(F)(F)Sc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020362008 333319670 /nfs/dbraw/zinc/31/96/70/333319670.db2.gz IUQPTOYZIBNBRJ-UHFFFAOYSA-N 2 2 315.364 3.675 20 0 DHADLP CC[N@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCCc2cccnc21 ZINC000365003468 333334165 /nfs/dbraw/zinc/33/41/65/333334165.db2.gz QRLBJCAGUDKJMA-KRWDZBQOSA-N 2 2 306.413 3.629 20 0 DHADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1CCCc2cccnc21 ZINC000365003468 333334167 /nfs/dbraw/zinc/33/41/67/333334167.db2.gz QRLBJCAGUDKJMA-KRWDZBQOSA-N 2 2 306.413 3.629 20 0 DHADLP C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000122089721 333391319 /nfs/dbraw/zinc/39/13/19/333391319.db2.gz BPBYZSJXOMUSSV-WMLDXEAASA-N 2 2 301.459 3.809 20 0 DHADLP Clc1cccc(Cl)c1CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563136392 333396101 /nfs/dbraw/zinc/39/61/01/333396101.db2.gz PMXGDSXCKREQKD-MRXNPFEDSA-N 2 2 313.272 3.611 20 0 DHADLP Clc1cccc(Cl)c1CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000563136392 333396103 /nfs/dbraw/zinc/39/61/03/333396103.db2.gz PMXGDSXCKREQKD-MRXNPFEDSA-N 2 2 313.272 3.611 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(CSC(F)F)o1)C[NH+]1CCCC1 ZINC000057994448 333397790 /nfs/dbraw/zinc/39/77/90/333397790.db2.gz NLGWDCPJONBPNX-LBPRGKRZSA-N 2 2 318.433 3.557 20 0 DHADLP CCCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCC1 ZINC000563481190 333612529 /nfs/dbraw/zinc/61/25/29/333612529.db2.gz AXHPQPUPUGPJAH-SFHVURJKSA-N 2 2 301.478 3.999 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C)CCC2 ZINC000414118298 333906517 /nfs/dbraw/zinc/90/65/17/333906517.db2.gz UVQIZKCBBPORFA-HRCADAONSA-N 2 2 319.493 3.641 20 0 DHADLP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[C@@H]1C[C@H]1C ZINC000414159842 333914767 /nfs/dbraw/zinc/91/47/67/333914767.db2.gz YTVYIDNWCWYZMM-RSSWARJVSA-N 2 2 318.427 3.816 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000271380865 334022616 /nfs/dbraw/zinc/02/26/16/334022616.db2.gz IHYCZUATOJVQBN-YLJYHZDGSA-N 2 2 309.457 3.878 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000274267510 334058411 /nfs/dbraw/zinc/05/84/11/334058411.db2.gz PTHVONAZLCHTDQ-UHFFFAOYSA-N 2 2 300.368 3.891 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414816014 334106669 /nfs/dbraw/zinc/10/66/69/334106669.db2.gz YWGXLCPUCXVGOC-CSODHUTKSA-N 3 2 323.484 3.631 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414816014 334106671 /nfs/dbraw/zinc/10/66/71/334106671.db2.gz YWGXLCPUCXVGOC-CSODHUTKSA-N 3 2 323.484 3.631 20 0 DHADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000414818627 334108015 /nfs/dbraw/zinc/10/80/15/334108015.db2.gz WGWYHYCMAZNJNB-HNNXBMFYSA-N 2 2 303.475 3.726 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cnn(C(C)(C)C)c2)cc1 ZINC000414850522 334123223 /nfs/dbraw/zinc/12/32/23/334123223.db2.gz SKOVOZCCPZFHIV-SFHVURJKSA-N 2 2 314.477 3.551 20 0 DHADLP [NH3+]C1(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CCC1 ZINC000414875297 334145241 /nfs/dbraw/zinc/14/52/41/334145241.db2.gz JUBZFPQALCSUHY-UHFFFAOYSA-N 2 2 313.426 3.527 20 0 DHADLP Clc1ccc(Cl)c(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414890074 334157681 /nfs/dbraw/zinc/15/76/81/334157681.db2.gz ZBGRKULOODKJAO-UHFFFAOYSA-N 2 2 324.255 3.658 20 0 DHADLP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000414905957 334169394 /nfs/dbraw/zinc/16/93/94/334169394.db2.gz AMTXPZHSFTVFLW-FQEVSTJZSA-N 2 2 318.424 3.622 20 0 DHADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000414927930 334190180 /nfs/dbraw/zinc/19/01/80/334190180.db2.gz MRBCCTMYURFABJ-AWEZNQCLSA-N 2 2 321.515 3.739 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000414932580 334195454 /nfs/dbraw/zinc/19/54/54/334195454.db2.gz CWGQVIHRNXCMEQ-AABGKKOBSA-N 2 2 312.457 3.633 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3[NH2+]CCCC3(C)C)s2)o1 ZINC000414935907 334198019 /nfs/dbraw/zinc/19/80/19/334198019.db2.gz WJGPGHHAIMEYGD-HNNXBMFYSA-N 2 2 319.474 3.579 20 0 DHADLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000414948609 334206235 /nfs/dbraw/zinc/20/62/35/334206235.db2.gz MJXCPNVUJCLIJW-RHSMWYFYSA-N 2 2 322.424 3.570 20 0 DHADLP C[C@H](CCc1ccsc1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414952016 334206933 /nfs/dbraw/zinc/20/69/33/334206933.db2.gz HRCXGNJQVXLVIW-RDTXWAMCSA-N 2 2 300.471 3.546 20 0 DHADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414957874 334210248 /nfs/dbraw/zinc/21/02/48/334210248.db2.gz RGQPGRRFYZEEFQ-ZANVPECISA-N 2 2 306.759 3.589 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccccc2OC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000294874124 334214026 /nfs/dbraw/zinc/21/40/26/334214026.db2.gz DNAHANXJXBJTRF-QAPCUYQASA-N 2 2 311.429 3.507 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccccc2OC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000294874124 334214027 /nfs/dbraw/zinc/21/40/27/334214027.db2.gz DNAHANXJXBJTRF-QAPCUYQASA-N 2 2 311.429 3.507 20 0 DHADLP Fc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415084476 334272984 /nfs/dbraw/zinc/27/29/84/334272984.db2.gz RITOCRLIWCICGK-WMZOPIPTSA-N 2 2 302.368 3.548 20 0 DHADLP FC(F)(F)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415038225 334260659 /nfs/dbraw/zinc/26/06/59/334260659.db2.gz HUEQGIXATVOTBO-YPMHNXCESA-N 2 2 318.408 3.731 20 0 DHADLP FC(F)(F)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415038225 334260660 /nfs/dbraw/zinc/26/06/60/334260660.db2.gz HUEQGIXATVOTBO-YPMHNXCESA-N 2 2 318.408 3.731 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000415063213 334262412 /nfs/dbraw/zinc/26/24/12/334262412.db2.gz HEDBBUXGMOHARU-QGZVFWFLSA-N 2 2 320.383 3.640 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000415066317 334262440 /nfs/dbraw/zinc/26/24/40/334262440.db2.gz OJIFMMCUQWOJSJ-IBGZPJMESA-N 2 2 323.415 3.726 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000415061467 334262510 /nfs/dbraw/zinc/26/25/10/334262510.db2.gz CUMBGMXOMJTWLA-XUJLQICISA-N 2 2 314.395 3.960 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000415066967 334262661 /nfs/dbraw/zinc/26/26/61/334262661.db2.gz ORQQCQAJRXJFMT-LJQANCHMSA-N 2 2 323.415 3.726 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415075803 334267053 /nfs/dbraw/zinc/26/70/53/334267053.db2.gz AHWWWLITJXTAIY-WDYCEAGBSA-N 2 2 310.441 3.839 20 0 DHADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000415114999 334283757 /nfs/dbraw/zinc/28/37/57/334283757.db2.gz YDPSYVRQIXHNSF-OLZOCXBDSA-N 2 2 319.449 3.569 20 0 DHADLP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000415135054 334284451 /nfs/dbraw/zinc/28/44/51/334284451.db2.gz PLKJXFLBXGXPLN-UHFFFAOYSA-N 2 2 315.442 3.598 20 0 DHADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000415135054 334284453 /nfs/dbraw/zinc/28/44/53/334284453.db2.gz PLKJXFLBXGXPLN-UHFFFAOYSA-N 2 2 315.442 3.598 20 0 DHADLP Cc1cc(OCC[NH+]2CCC([NH2+]C(C)C)CC2)ccc1C(C)C ZINC000111053750 334301121 /nfs/dbraw/zinc/30/11/21/334301121.db2.gz HRTOXEVBGJCHIY-UHFFFAOYSA-N 2 2 318.505 3.960 20 0 DHADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1)[NH+](C)C ZINC000443008697 338441894 /nfs/dbraw/zinc/44/18/94/338441894.db2.gz VKSXNQGEGQCBAJ-YWZLYKJASA-N 2 2 322.456 3.652 20 0 DHADLP C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534944925 334350063 /nfs/dbraw/zinc/35/00/63/334350063.db2.gz LIRKGRRIUJGZDF-JKSUJKDBSA-N 2 2 315.486 3.780 20 0 DHADLP C[C@@H](CCSc1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534944925 334350064 /nfs/dbraw/zinc/35/00/64/334350064.db2.gz LIRKGRRIUJGZDF-JKSUJKDBSA-N 2 2 315.486 3.780 20 0 DHADLP Brc1cccc2c1CCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000341186525 334421773 /nfs/dbraw/zinc/42/17/73/334421773.db2.gz ZGFQVHSQVOLSQK-MRXNPFEDSA-N 2 2 323.278 3.512 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc2ccccc2s1 ZINC000188045178 334611949 /nfs/dbraw/zinc/61/19/49/334611949.db2.gz ROPLMNUYRVGISH-LSDHHAIUSA-N 2 2 318.486 3.520 20 0 DHADLP CCC(CC)(CC)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000440728489 334617496 /nfs/dbraw/zinc/61/74/96/334617496.db2.gz DFVBXUXACLBJIO-INIZCTEOSA-N 2 2 317.477 3.572 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1)CCC2 ZINC000417313108 334705296 /nfs/dbraw/zinc/70/52/96/334705296.db2.gz OTJYFMQJECTDOJ-XUWVNRHRSA-N 2 2 315.486 3.912 20 0 DHADLP CCc1[nH+]ccn1[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000122910155 334717560 /nfs/dbraw/zinc/71/75/60/334717560.db2.gz CHLHMRWAJJUUMH-HNNXBMFYSA-N 2 2 313.449 3.509 20 0 DHADLP C[C@H](C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1)C[NH+](C)C ZINC000425935031 334774493 /nfs/dbraw/zinc/77/44/93/334774493.db2.gz GKJBBPRTEJEHHL-QRWLVFNGSA-N 2 2 323.440 3.705 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343844215 335196816 /nfs/dbraw/zinc/19/68/16/335196816.db2.gz UQKMSZOPSZIIPG-SNVBAGLBSA-N 2 2 309.401 3.543 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343844215 335196818 /nfs/dbraw/zinc/19/68/18/335196818.db2.gz UQKMSZOPSZIIPG-SNVBAGLBSA-N 2 2 309.401 3.543 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3ccc4ccccc4n3)n2c1 ZINC000343927905 335202423 /nfs/dbraw/zinc/20/24/23/335202423.db2.gz QKAPRXGICLFTDW-UHFFFAOYSA-N 2 2 316.408 3.523 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCC2 ZINC000344036884 335211051 /nfs/dbraw/zinc/21/10/51/335211051.db2.gz VOPDXPMQKBBGIR-SFHVURJKSA-N 2 2 309.388 3.683 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000344073149 335215261 /nfs/dbraw/zinc/21/52/61/335215261.db2.gz CNYGSXHAUZDVCA-SFHVURJKSA-N 2 2 313.420 3.568 20 0 DHADLP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C1(C)C ZINC000344120508 335219188 /nfs/dbraw/zinc/21/91/88/335219188.db2.gz ZWDCZJSQCGZUOQ-IXDOHACOSA-N 2 2 319.493 3.642 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC000366858376 335219674 /nfs/dbraw/zinc/21/96/74/335219674.db2.gz XDGHCHPGOSUWAA-OAHLLOKOSA-N 2 2 305.372 3.737 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000366858376 335219675 /nfs/dbraw/zinc/21/96/75/335219675.db2.gz XDGHCHPGOSUWAA-OAHLLOKOSA-N 2 2 305.372 3.737 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@@H]3CC[C@H]4CCC[C@H]4C3)c2)c[nH+]1 ZINC000344195345 335229321 /nfs/dbraw/zinc/22/93/21/335229321.db2.gz IVDAARDOKWWEQV-QLFBSQMISA-N 2 2 301.459 3.992 20 0 DHADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000344327389 335240981 /nfs/dbraw/zinc/24/09/81/335240981.db2.gz LTAXMEWJNHLPMI-DTTOXWODSA-N 2 2 313.445 3.582 20 0 DHADLP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(-c3ccncc3)c1)CCC2 ZINC000344505995 335257260 /nfs/dbraw/zinc/25/72/60/335257260.db2.gz ADNKWKSWALJSML-LJQANCHMSA-N 2 2 318.424 3.612 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000344510181 335257555 /nfs/dbraw/zinc/25/75/55/335257555.db2.gz CRGGXKQLAKVSSW-HZPDHXFCSA-N 2 2 310.526 3.680 20 0 DHADLP COC1CCC(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344607722 335263512 /nfs/dbraw/zinc/26/35/12/335263512.db2.gz XBQDZWDZEGTWHB-PYXOFJJQSA-N 2 2 316.489 3.617 20 0 DHADLP COC1CCC(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344607722 335263514 /nfs/dbraw/zinc/26/35/14/335263514.db2.gz XBQDZWDZEGTWHB-PYXOFJJQSA-N 2 2 316.489 3.617 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000345228269 335310321 /nfs/dbraw/zinc/31/03/21/335310321.db2.gz YEFQBRRILJNOTJ-KGLIPLIRSA-N 2 2 303.475 3.801 20 0 DHADLP C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346176189 335377736 /nfs/dbraw/zinc/37/77/36/335377736.db2.gz OCXWMTSLFJXBNA-AWEZNQCLSA-N 2 2 309.438 3.881 20 0 DHADLP C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346176189 335377738 /nfs/dbraw/zinc/37/77/38/335377738.db2.gz OCXWMTSLFJXBNA-AWEZNQCLSA-N 2 2 309.438 3.881 20 0 DHADLP CC(C)[N@H+](Cc1ccco1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346142328 335380747 /nfs/dbraw/zinc/38/07/47/335380747.db2.gz AICPUYYINIXCFV-UHFFFAOYSA-N 2 2 301.415 3.937 20 0 DHADLP CCSCC[C@@H](C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346162792 335383923 /nfs/dbraw/zinc/38/39/23/335383923.db2.gz FEXHNWVJTJKKQH-CYBMUJFWSA-N 2 2 309.504 3.897 20 0 DHADLP CCSCC[C@@H](C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346162792 335383924 /nfs/dbraw/zinc/38/39/24/335383924.db2.gz FEXHNWVJTJKKQH-CYBMUJFWSA-N 2 2 309.504 3.897 20 0 DHADLP Cn1cc(Cl)cc1C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346169748 335385030 /nfs/dbraw/zinc/38/50/30/335385030.db2.gz NFYBMCYTHNCBBR-UHFFFAOYSA-N 2 2 320.849 3.558 20 0 DHADLP Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346169748 335385032 /nfs/dbraw/zinc/38/50/32/335385032.db2.gz NFYBMCYTHNCBBR-UHFFFAOYSA-N 2 2 320.849 3.558 20 0 DHADLP Cc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc2cccnc12 ZINC000346192197 335388499 /nfs/dbraw/zinc/38/84/99/335388499.db2.gz DHSVLPUKDFHRKH-UHFFFAOYSA-N 2 2 306.413 3.646 20 0 DHADLP CCc1cnc(C[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000346206977 335390576 /nfs/dbraw/zinc/39/05/76/335390576.db2.gz RTINZWVOFMPYIP-UHFFFAOYSA-N 2 2 318.471 3.585 20 0 DHADLP CCc1cnc(C[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000346206977 335390577 /nfs/dbraw/zinc/39/05/77/335390577.db2.gz RTINZWVOFMPYIP-UHFFFAOYSA-N 2 2 318.471 3.585 20 0 DHADLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1 ZINC000346305404 335398364 /nfs/dbraw/zinc/39/83/64/335398364.db2.gz HZWGVFDMMGGIKW-UHFFFAOYSA-N 2 2 311.351 3.813 20 0 DHADLP C[C@H](CCc1ccsc1)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348838971 335612225 /nfs/dbraw/zinc/61/22/25/335612225.db2.gz SEKJKEKAKYCGBA-CQSZACIVSA-N 2 2 312.442 3.821 20 0 DHADLP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3c[nH+]cn3CC)oc21 ZINC000417850832 335643849 /nfs/dbraw/zinc/64/38/49/335643849.db2.gz FNZOSUBQXDTIDZ-CYBMUJFWSA-N 2 2 313.401 3.899 20 0 DHADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000532203436 335915987 /nfs/dbraw/zinc/91/59/87/335915987.db2.gz WNAOCRNQFWEJOI-TXPKVOOTSA-N 2 2 304.478 3.856 20 0 DHADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(OC(C)(C)C)n1 ZINC000351684113 336058110 /nfs/dbraw/zinc/05/81/10/336058110.db2.gz FIYXMRJFRFNKIX-QGZVFWFLSA-N 2 2 319.493 3.565 20 0 DHADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(OC(C)(C)C)n1 ZINC000351684113 336058111 /nfs/dbraw/zinc/05/81/11/336058111.db2.gz FIYXMRJFRFNKIX-QGZVFWFLSA-N 2 2 319.493 3.565 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(OC(C)(C)C)n1 ZINC000351684113 336058113 /nfs/dbraw/zinc/05/81/13/336058113.db2.gz FIYXMRJFRFNKIX-QGZVFWFLSA-N 2 2 319.493 3.565 20 0 DHADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(OC(C)(C)C)n1 ZINC000351684113 336058115 /nfs/dbraw/zinc/05/81/15/336058115.db2.gz FIYXMRJFRFNKIX-QGZVFWFLSA-N 2 2 319.493 3.565 20 0 DHADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000351731282 336063150 /nfs/dbraw/zinc/06/31/50/336063150.db2.gz UUZYIQGYMCXPCW-QGZVFWFLSA-N 2 2 302.805 3.697 20 0 DHADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000351731282 336063151 /nfs/dbraw/zinc/06/31/51/336063151.db2.gz UUZYIQGYMCXPCW-QGZVFWFLSA-N 2 2 302.805 3.697 20 0 DHADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000194336200 338515091 /nfs/dbraw/zinc/51/50/91/338515091.db2.gz IDYKYDDOKHYBGB-KRWDZBQOSA-N 2 2 305.425 3.693 20 0 DHADLP CCc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000352250207 336206854 /nfs/dbraw/zinc/20/68/54/336206854.db2.gz DRJOWQNHIVCVCT-HXUWFJFHSA-N 2 2 309.457 3.571 20 0 DHADLP CCc1cc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)nc(C)[nH+]1 ZINC000333721286 336208803 /nfs/dbraw/zinc/20/88/03/336208803.db2.gz RMWJDQSQMBVBMA-WKILWMFISA-N 2 2 311.433 3.578 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000352351703 336213661 /nfs/dbraw/zinc/21/36/61/336213661.db2.gz ZOTBXWHAWZAPHS-UHFFFAOYSA-N 2 2 300.377 3.573 20 0 DHADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000395649861 336221053 /nfs/dbraw/zinc/22/10/53/336221053.db2.gz JTXKAFLVYOZVHG-AWEZNQCLSA-N 2 2 304.384 3.747 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CCC1 ZINC000352487947 336221597 /nfs/dbraw/zinc/22/15/97/336221597.db2.gz KILVKQKZXJZBOC-YQVWRLOYSA-N 2 2 316.489 3.587 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CCC1 ZINC000352487947 336221598 /nfs/dbraw/zinc/22/15/98/336221598.db2.gz KILVKQKZXJZBOC-YQVWRLOYSA-N 2 2 316.489 3.587 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cn1 ZINC000352558100 336224612 /nfs/dbraw/zinc/22/46/12/336224612.db2.gz UTUVNENRXGBKOI-GOSISDBHSA-N 2 2 324.403 3.706 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+]C2CC(c3ccccc3Cl)C2)CCSC1 ZINC000352649369 336228671 /nfs/dbraw/zinc/22/86/71/336228671.db2.gz KEYXQSIPEKFFBB-KVULBXGLSA-N 2 2 324.921 3.613 20 0 DHADLP CC(C)c1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352765606 336233806 /nfs/dbraw/zinc/23/38/06/336233806.db2.gz PSSSVOVXQQTQDB-UHFFFAOYSA-N 2 2 303.475 3.618 20 0 DHADLP CCc1ccc(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)cn1 ZINC000352765713 336233910 /nfs/dbraw/zinc/23/39/10/336233910.db2.gz RGYCRTLOODKHRV-MRXNPFEDSA-N 2 2 311.473 3.863 20 0 DHADLP CCc1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000352798546 336237939 /nfs/dbraw/zinc/23/79/39/336237939.db2.gz KTTNDFZHZJBEJG-JKSUJKDBSA-N 2 2 321.534 3.792 20 0 DHADLP CCc1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000352798546 336237940 /nfs/dbraw/zinc/23/79/40/336237940.db2.gz KTTNDFZHZJBEJG-JKSUJKDBSA-N 2 2 321.534 3.792 20 0 DHADLP CCc1ncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000352798546 336237941 /nfs/dbraw/zinc/23/79/41/336237941.db2.gz KTTNDFZHZJBEJG-JKSUJKDBSA-N 2 2 321.534 3.792 20 0 DHADLP CCc1ncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000352798546 336237942 /nfs/dbraw/zinc/23/79/42/336237942.db2.gz KTTNDFZHZJBEJG-JKSUJKDBSA-N 2 2 321.534 3.792 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCCO2 ZINC000532448961 336246635 /nfs/dbraw/zinc/24/66/35/336246635.db2.gz ASHJITCGFZZXMF-SFHVURJKSA-N 2 2 313.445 3.784 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000532446165 336247694 /nfs/dbraw/zinc/24/76/94/336247694.db2.gz CEBFNNBBXVOSNI-RCBQFDQVSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000532446165 336247695 /nfs/dbraw/zinc/24/76/95/336247695.db2.gz CEBFNNBBXVOSNI-RCBQFDQVSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000532446166 336247709 /nfs/dbraw/zinc/24/77/09/336247709.db2.gz CEBFNNBBXVOSNI-VBNZEHGJSA-N 2 2 308.853 3.626 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000532446166 336247710 /nfs/dbraw/zinc/24/77/10/336247710.db2.gz CEBFNNBBXVOSNI-VBNZEHGJSA-N 2 2 308.853 3.626 20 0 DHADLP CCc1ccc(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cn1 ZINC000352825596 336261045 /nfs/dbraw/zinc/26/10/45/336261045.db2.gz SQZMCDJSQNZAHA-OAQYLSRUSA-N 2 2 323.484 3.879 20 0 DHADLP CSc1ccccc1[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352852455 336279894 /nfs/dbraw/zinc/27/98/94/336279894.db2.gz GWJCWDIAZHTQSC-GFCCVEGCSA-N 2 2 321.515 3.777 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000192945746 336285585 /nfs/dbraw/zinc/28/55/85/336285585.db2.gz BLEZROIHPHYBFC-CQSZACIVSA-N 2 2 309.413 3.704 20 0 DHADLP Clc1ccsc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000193005592 336286843 /nfs/dbraw/zinc/28/68/43/336286843.db2.gz ZCOGUIIAXNGBHZ-UHFFFAOYSA-N 2 2 307.850 3.555 20 0 DHADLP CCc1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc(C)[nH+]1 ZINC000301365573 336302736 /nfs/dbraw/zinc/30/27/36/336302736.db2.gz SFIHPNOTRFSCCY-GOSISDBHSA-N 2 2 310.445 3.596 20 0 DHADLP C[C@@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000301559337 336314929 /nfs/dbraw/zinc/31/49/29/336314929.db2.gz UDCHXCHGPIDMNT-CRAIPNDOSA-N 2 2 322.456 3.819 20 0 DHADLP Cc1cc(NCCc2cn3ccccc3[nH+]2)c2cc(F)ccc2[nH+]1 ZINC000301658720 336321387 /nfs/dbraw/zinc/32/13/87/336321387.db2.gz ITTQEGRJAYXARI-UHFFFAOYSA-N 2 2 320.371 3.985 20 0 DHADLP Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301824608 336332429 /nfs/dbraw/zinc/33/24/29/336332429.db2.gz DDNAYZSZCGFPMP-WMZOPIPTSA-N 2 2 310.445 3.766 20 0 DHADLP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301824608 336332430 /nfs/dbraw/zinc/33/24/30/336332430.db2.gz DDNAYZSZCGFPMP-WMZOPIPTSA-N 2 2 310.445 3.766 20 0 DHADLP c1ccc2[nH+]c(N3CCC(CCC[NH+]4CCCC4)CC3)[nH]c2c1 ZINC000301897560 336336863 /nfs/dbraw/zinc/33/68/63/336336863.db2.gz VXUYJQQMAJRRED-UHFFFAOYSA-N 2 2 312.461 3.655 20 0 DHADLP Cc1cc2ccccc2c(NCCc2cn3ccccc3[nH+]2)[nH+]1 ZINC000302034650 336344447 /nfs/dbraw/zinc/34/44/47/336344447.db2.gz JNTBUMMYJDXPLP-UHFFFAOYSA-N 2 2 302.381 3.846 20 0 DHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000302046749 336345310 /nfs/dbraw/zinc/34/53/10/336345310.db2.gz NJLCBEPFHRKTPT-HOTGVXAUSA-N 2 2 312.461 3.654 20 0 DHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000302046749 336345311 /nfs/dbraw/zinc/34/53/11/336345311.db2.gz NJLCBEPFHRKTPT-HOTGVXAUSA-N 2 2 312.461 3.654 20 0 DHADLP COc1cccc2c(NCCCNc3cccc[nH+]3)cc[nH+]c12 ZINC000302478300 336359672 /nfs/dbraw/zinc/35/96/72/336359672.db2.gz VTHVLZOSPAFIRD-UHFFFAOYSA-N 2 2 308.385 3.553 20 0 DHADLP Cc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000302800183 336369771 /nfs/dbraw/zinc/36/97/71/336369771.db2.gz BWUSDLDXOVMLSG-NVXWUHKLSA-N 2 2 303.356 3.526 20 0 DHADLP Cc1cccc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000302800183 336369772 /nfs/dbraw/zinc/36/97/72/336369772.db2.gz BWUSDLDXOVMLSG-NVXWUHKLSA-N 2 2 303.356 3.526 20 0 DHADLP CC[NH+]1CCC(Nc2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000302806534 336370017 /nfs/dbraw/zinc/37/00/17/336370017.db2.gz XEFDRCGMVBWKJO-UHFFFAOYSA-N 2 2 304.482 3.794 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000563933799 336385658 /nfs/dbraw/zinc/38/56/58/336385658.db2.gz VPNLQBNGRNUIGK-VQIMIIECSA-N 2 2 316.489 3.623 20 0 DHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000563933799 336385659 /nfs/dbraw/zinc/38/56/59/336385659.db2.gz VPNLQBNGRNUIGK-VQIMIIECSA-N 2 2 316.489 3.623 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000353933594 336449680 /nfs/dbraw/zinc/44/96/80/336449680.db2.gz QAPWQLVBKXSVJQ-NRFANRHFSA-N 2 2 323.484 3.749 20 0 DHADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000353935458 336449936 /nfs/dbraw/zinc/44/99/36/336449936.db2.gz ZSGFQOKYLLDWBZ-IRXDYDNUSA-N 2 2 315.461 3.530 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000354628792 336476935 /nfs/dbraw/zinc/47/69/35/336476935.db2.gz BMWGFZTUIOADCH-WOJBJXKFSA-N 2 2 310.441 3.833 20 0 DHADLP COCCC1(C[NH2+]CCCc2ccc(C)[nH+]c2)CCCCC1 ZINC000354635123 336477097 /nfs/dbraw/zinc/47/70/97/336477097.db2.gz QQJOMYXARQAWEH-UHFFFAOYSA-N 2 2 304.478 3.899 20 0 DHADLP C[C@@H]1CC(C[NH2+]C2CC[NH+](Cc3cccs3)CC2)C[C@@H](C)O1 ZINC000367185543 336485719 /nfs/dbraw/zinc/48/57/19/336485719.db2.gz JFASJUOLPQAWBS-HUUCEWRRSA-N 2 2 322.518 3.506 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c[nH+]1 ZINC000356374094 336547718 /nfs/dbraw/zinc/54/77/18/336547718.db2.gz WRBYXSFYUNBUTE-WOJBJXKFSA-N 2 2 310.441 3.833 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)c1ccccc1 ZINC000367260784 336583155 /nfs/dbraw/zinc/58/31/55/336583155.db2.gz RZEIXGJDCQTGMU-RBUKOAKNSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000359634748 336681124 /nfs/dbraw/zinc/68/11/24/336681124.db2.gz NAESBPIHPXQNMW-LBPRGKRZSA-N 2 2 314.820 3.744 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCc2ccsc2)CC1 ZINC000360975685 336730418 /nfs/dbraw/zinc/73/04/18/336730418.db2.gz PLZJRKYFHHXYDR-OAHLLOKOSA-N 2 2 324.534 3.548 20 0 DHADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)ccn1 ZINC000361768837 336772386 /nfs/dbraw/zinc/77/23/86/336772386.db2.gz RXOJVYZCJHIKBI-NLWGTHIKSA-N 2 2 313.489 3.604 20 0 DHADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCS2 ZINC000367438196 336822731 /nfs/dbraw/zinc/82/27/31/336822731.db2.gz LHICEZDENXRARD-HNNXBMFYSA-N 2 2 317.433 3.685 20 0 DHADLP CC(C)CCC[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373498647 336962389 /nfs/dbraw/zinc/96/23/89/336962389.db2.gz ZWHFNYDPMXIWFK-UHFFFAOYSA-N 2 2 306.416 3.818 20 0 DHADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373524107 336963745 /nfs/dbraw/zinc/96/37/45/336963745.db2.gz RDJNMCKQMDDDMW-LEOMRAHMSA-N 2 2 318.436 3.646 20 0 DHADLP c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)[nH+]c1 ZINC000374325935 336987258 /nfs/dbraw/zinc/98/72/58/336987258.db2.gz NOPBCCIOHICBMM-SJLPKXTDSA-N 2 2 310.445 3.595 20 0 DHADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000375062639 337002365 /nfs/dbraw/zinc/00/23/65/337002365.db2.gz UREBMONUPCDRES-PBWTXFEYSA-N 2 2 320.525 3.607 20 0 DHADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000375062639 337002366 /nfs/dbraw/zinc/00/23/66/337002366.db2.gz UREBMONUPCDRES-PBWTXFEYSA-N 2 2 320.525 3.607 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1csc(C(C)C)n1)CCC2 ZINC000375093547 337003121 /nfs/dbraw/zinc/00/31/21/337003121.db2.gz FIEOANRTKXSTEU-KBPBESRZSA-N 2 2 318.490 4.000 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(C)C)CCC2 ZINC000375278723 337007131 /nfs/dbraw/zinc/00/71/31/337007131.db2.gz IARCITUPWKROQJ-MOPGFXCFSA-N 2 2 311.473 3.926 20 0 DHADLP C[C@@H]([NH2+]CCc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000122778236 337023768 /nfs/dbraw/zinc/02/37/68/337023768.db2.gz JMPBKOFJDJKOFA-OAHLLOKOSA-N 2 2 309.388 3.905 20 0 DHADLP FCCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000375958663 337024284 /nfs/dbraw/zinc/02/42/84/337024284.db2.gz DBSYFMPUBLHREV-APWZRJJASA-N 2 2 319.468 3.554 20 0 DHADLP CCc1nc(N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)cc(C)[nH+]1 ZINC000376187130 337029214 /nfs/dbraw/zinc/02/92/14/337029214.db2.gz JATJMIKLRHKQDJ-HNNXBMFYSA-N 2 2 313.449 3.509 20 0 DHADLP C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000376416989 337033029 /nfs/dbraw/zinc/03/30/29/337033029.db2.gz VSGOJGOYEHQOGP-IHJVYAAUSA-N 2 2 316.489 3.759 20 0 DHADLP [NH3+]CCC[N@H+](Cc1ncc(-c2ccccc2)o1)Cc1ccccc1 ZINC000305890403 337040206 /nfs/dbraw/zinc/04/02/06/337040206.db2.gz QDGQGZNUFIPIHI-UHFFFAOYSA-N 2 2 321.424 3.693 20 0 DHADLP [NH3+]CCC[N@@H+](Cc1ncc(-c2ccccc2)o1)Cc1ccccc1 ZINC000305890403 337040207 /nfs/dbraw/zinc/04/02/07/337040207.db2.gz QDGQGZNUFIPIHI-UHFFFAOYSA-N 2 2 321.424 3.693 20 0 DHADLP CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000377012822 337045207 /nfs/dbraw/zinc/04/52/07/337045207.db2.gz LPMJKOTUSZPDTI-JKSUJKDBSA-N 2 2 319.518 3.560 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCCC2(C)C)[C@@H]1c1cccnc1 ZINC000377257374 337049543 /nfs/dbraw/zinc/04/95/43/337049543.db2.gz OJEHRKIWMUQMKD-BZSNNMDCSA-N 2 2 301.478 3.633 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCCC2(C)C)[C@@H]1c1cccnc1 ZINC000377257374 337049544 /nfs/dbraw/zinc/04/95/44/337049544.db2.gz OJEHRKIWMUQMKD-BZSNNMDCSA-N 2 2 301.478 3.633 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000377632991 337057076 /nfs/dbraw/zinc/05/70/76/337057076.db2.gz YSKOXGALIKLELZ-KSSFIOAISA-N 2 2 321.428 3.802 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000377632991 337057077 /nfs/dbraw/zinc/05/70/77/337057077.db2.gz YSKOXGALIKLELZ-KSSFIOAISA-N 2 2 321.428 3.802 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000377641317 337057200 /nfs/dbraw/zinc/05/72/00/337057200.db2.gz DDJZNALWVOBOPB-UHFFFAOYSA-N 2 2 316.489 3.994 20 0 DHADLP C[N@H+]([C@H]1CCc2ccccc21)C1CCN(c2cccc[nH+]2)CC1 ZINC000377654350 337057584 /nfs/dbraw/zinc/05/75/84/337057584.db2.gz TYZYARFZVGNXPR-IBGZPJMESA-N 2 2 307.441 3.670 20 0 DHADLP C[N@@H+]([C@H]1CCc2ccccc21)C1CCN(c2cccc[nH+]2)CC1 ZINC000377654350 337057585 /nfs/dbraw/zinc/05/75/85/337057585.db2.gz TYZYARFZVGNXPR-IBGZPJMESA-N 2 2 307.441 3.670 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000377713803 337059451 /nfs/dbraw/zinc/05/94/51/337059451.db2.gz BGTGKWQDDRBDEN-XUVXKRRUSA-N 2 2 316.489 3.728 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000377713803 337059452 /nfs/dbraw/zinc/05/94/52/337059452.db2.gz BGTGKWQDDRBDEN-XUVXKRRUSA-N 2 2 316.489 3.728 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000377713804 337059480 /nfs/dbraw/zinc/05/94/80/337059480.db2.gz BGTGKWQDDRBDEN-ZCNNSNEGSA-N 2 2 316.489 3.728 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000377713804 337059481 /nfs/dbraw/zinc/05/94/81/337059481.db2.gz BGTGKWQDDRBDEN-ZCNNSNEGSA-N 2 2 316.489 3.728 20 0 DHADLP CCCCCOc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377790196 337061164 /nfs/dbraw/zinc/06/11/64/337061164.db2.gz ZPWJMBDWJQDNQS-INIZCTEOSA-N 2 2 313.445 3.626 20 0 DHADLP CCCCCOc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377790196 337061165 /nfs/dbraw/zinc/06/11/65/337061165.db2.gz ZPWJMBDWJQDNQS-INIZCTEOSA-N 2 2 313.445 3.626 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000377887239 337063334 /nfs/dbraw/zinc/06/33/34/337063334.db2.gz DNHZDWLWUADSPL-MOKVOYLWSA-N 2 2 315.383 3.578 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000377887239 337063335 /nfs/dbraw/zinc/06/33/35/337063335.db2.gz DNHZDWLWUADSPL-MOKVOYLWSA-N 2 2 315.383 3.578 20 0 DHADLP Cc1[nH+]c(CNc2cc[nH+]c3cc(F)ccc23)c2n1CCCC2 ZINC000378408133 337072129 /nfs/dbraw/zinc/07/21/29/337072129.db2.gz YGYIIWRXRLSZKL-UHFFFAOYSA-N 2 2 310.376 3.827 20 0 DHADLP FC(F)(F)c1ccc([C@H]2CCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000378478797 337073873 /nfs/dbraw/zinc/07/38/73/337073873.db2.gz VTMQMFLNFQFJNZ-HZPDHXFCSA-N 2 2 323.362 3.828 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccccc1OC ZINC000360080044 337085114 /nfs/dbraw/zinc/08/51/14/337085114.db2.gz SVYSNGHDHCIQGA-NVXWUHKLSA-N 2 2 313.445 3.818 20 0 DHADLP Cc1nc2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2s1 ZINC000582546158 337103260 /nfs/dbraw/zinc/10/32/60/337103260.db2.gz CUDTYRWGXUFKCS-NVXWUHKLSA-N 2 2 315.486 3.711 20 0 DHADLP Cc1nc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2s1 ZINC000582546158 337103261 /nfs/dbraw/zinc/10/32/61/337103261.db2.gz CUDTYRWGXUFKCS-NVXWUHKLSA-N 2 2 315.486 3.711 20 0 DHADLP CC(C)n1cc[nH+]c1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000172544867 337129939 /nfs/dbraw/zinc/12/99/39/337129939.db2.gz ZQWWSCZXBJBJIT-SFHVURJKSA-N 2 2 318.509 3.552 20 0 DHADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H](c2ccco2)C1 ZINC000177360224 337155527 /nfs/dbraw/zinc/15/55/27/337155527.db2.gz SYSWWIHKXUYTKN-WBVHZDCISA-N 2 2 322.412 3.834 20 0 DHADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)[C@H](c2ccco2)C1 ZINC000177360224 337155528 /nfs/dbraw/zinc/15/55/28/337155528.db2.gz SYSWWIHKXUYTKN-WBVHZDCISA-N 2 2 322.412 3.834 20 0 DHADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000177936018 337159278 /nfs/dbraw/zinc/15/92/78/337159278.db2.gz NXUDDZNRVRQUGJ-OAHLLOKOSA-N 2 2 309.388 3.921 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cscn2)CC1 ZINC000178388407 337164280 /nfs/dbraw/zinc/16/42/80/337164280.db2.gz BRZOQNBUHVHYLK-HNNXBMFYSA-N 2 2 307.507 3.620 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cscn2)CC1 ZINC000178388407 337164281 /nfs/dbraw/zinc/16/42/81/337164281.db2.gz BRZOQNBUHVHYLK-HNNXBMFYSA-N 2 2 307.507 3.620 20 0 DHADLP CC(C)n1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000179415592 337167825 /nfs/dbraw/zinc/16/78/25/337167825.db2.gz IDVPWNVMLGZGAC-SFHVURJKSA-N 2 2 318.509 3.552 20 0 DHADLP CC(C)n1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000179415592 337167826 /nfs/dbraw/zinc/16/78/26/337167826.db2.gz IDVPWNVMLGZGAC-SFHVURJKSA-N 2 2 318.509 3.552 20 0 DHADLP Fc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(F)c1F ZINC000180784295 337177865 /nfs/dbraw/zinc/17/78/65/337177865.db2.gz BZPBCQMKOXGDLV-CXAGYDPISA-N 2 2 324.390 3.553 20 0 DHADLP Fc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(F)c1F ZINC000180784295 337177866 /nfs/dbraw/zinc/17/78/66/337177866.db2.gz BZPBCQMKOXGDLV-CXAGYDPISA-N 2 2 324.390 3.553 20 0 DHADLP Fc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(F)c1F ZINC000180784295 337177868 /nfs/dbraw/zinc/17/78/68/337177868.db2.gz BZPBCQMKOXGDLV-CXAGYDPISA-N 2 2 324.390 3.553 20 0 DHADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000182111240 337186497 /nfs/dbraw/zinc/18/64/97/337186497.db2.gz OBCVCJUTEOBRPA-INIZCTEOSA-N 2 2 315.392 3.526 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nccn2C(C)C)cc1 ZINC000183143171 337190109 /nfs/dbraw/zinc/19/01/09/337190109.db2.gz ZMZZKVMHYAGJHV-HNNXBMFYSA-N 2 2 323.444 3.809 20 0 DHADLP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184731395 337199174 /nfs/dbraw/zinc/19/91/74/337199174.db2.gz OOJXLSSEFWDPQD-MRXNPFEDSA-N 2 2 323.440 3.929 20 0 DHADLP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000184731395 337199175 /nfs/dbraw/zinc/19/91/75/337199175.db2.gz OOJXLSSEFWDPQD-MRXNPFEDSA-N 2 2 323.440 3.929 20 0 DHADLP C[C@H]1CC[N@H+](CCC(Cl)(Cl)Cl)C[C@@H]1n1cc[nH+]c1 ZINC000184677315 337199904 /nfs/dbraw/zinc/19/99/04/337199904.db2.gz KFEGRBPKZMJCMS-QWRGUYRKSA-N 2 2 310.656 3.526 20 0 DHADLP C[C@H]1CC[N@@H+](CCC(Cl)(Cl)Cl)C[C@@H]1n1cc[nH+]c1 ZINC000184677315 337199905 /nfs/dbraw/zinc/19/99/05/337199905.db2.gz KFEGRBPKZMJCMS-QWRGUYRKSA-N 2 2 310.656 3.526 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000184729812 337200115 /nfs/dbraw/zinc/20/01/15/337200115.db2.gz ZWYIHTROAHEUBN-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000184729812 337200116 /nfs/dbraw/zinc/20/01/16/337200116.db2.gz ZWYIHTROAHEUBN-CYBMUJFWSA-N 2 2 321.827 3.667 20 0 DHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)ccc3Cl)C2)C1 ZINC000583097594 337240494 /nfs/dbraw/zinc/24/04/94/337240494.db2.gz PMOKAPCKVQEFTK-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)ccc3Cl)C2)C1 ZINC000583097594 337240495 /nfs/dbraw/zinc/24/04/95/337240495.db2.gz PMOKAPCKVQEFTK-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(Cl)ccc3Cl)C2)C1 ZINC000583097594 337240496 /nfs/dbraw/zinc/24/04/96/337240496.db2.gz PMOKAPCKVQEFTK-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)C1 ZINC000583097594 337240497 /nfs/dbraw/zinc/24/04/97/337240497.db2.gz PMOKAPCKVQEFTK-INIZCTEOSA-N 2 2 313.272 3.911 20 0 DHADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000583152238 337246873 /nfs/dbraw/zinc/24/68/73/337246873.db2.gz UESYJYZUQLPGMO-RYUDHWBXSA-N 2 2 321.877 3.775 20 0 DHADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000583152238 337246874 /nfs/dbraw/zinc/24/68/74/337246874.db2.gz UESYJYZUQLPGMO-RYUDHWBXSA-N 2 2 321.877 3.775 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000398005945 337303578 /nfs/dbraw/zinc/30/35/78/337303578.db2.gz GWMZGKJMBSAUBY-JXFKEZNVSA-N 2 2 312.432 3.826 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000398005945 337303579 /nfs/dbraw/zinc/30/35/79/337303579.db2.gz GWMZGKJMBSAUBY-JXFKEZNVSA-N 2 2 312.432 3.826 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192296972 337304317 /nfs/dbraw/zinc/30/43/17/337304317.db2.gz HNIJRDDEDOUJLI-UHFFFAOYSA-N 2 2 319.399 3.915 20 0 DHADLP Cc1[nH+]ccn1CCCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192296972 337304318 /nfs/dbraw/zinc/30/43/18/337304318.db2.gz HNIJRDDEDOUJLI-UHFFFAOYSA-N 2 2 319.399 3.915 20 0 DHADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(Br)c1 ZINC000037228687 337395366 /nfs/dbraw/zinc/39/53/66/337395366.db2.gz OOEYAKQMAHTTEG-HNNXBMFYSA-N 2 2 311.267 3.586 20 0 DHADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000127908775 337423061 /nfs/dbraw/zinc/42/30/61/337423061.db2.gz DNMXMWCRCJZRLU-APWZRJJASA-N 2 2 301.478 3.604 20 0 DHADLP CC(C)(CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000564106061 337455264 /nfs/dbraw/zinc/45/52/64/337455264.db2.gz DMARUWPQAKLPLH-UHFFFAOYSA-N 2 2 306.416 3.819 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1nccn1-c1ccccc1 ZINC000419298781 337478679 /nfs/dbraw/zinc/47/86/79/337478679.db2.gz XAEIVPWATGULHR-INIZCTEOSA-N 2 2 324.472 3.540 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC(F)(F)F)c2ccccc21 ZINC000422798611 337687091 /nfs/dbraw/zinc/68/70/91/337687091.db2.gz RYVDRYUSASUGQH-HUUCEWRRSA-N 2 2 322.330 3.820 20 0 DHADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2OC2CCC2)c2ccccc21 ZINC000422910766 337690867 /nfs/dbraw/zinc/69/08/67/337690867.db2.gz JCVFVKMMCLFIQJ-OALUTQOASA-N 2 2 308.425 3.852 20 0 DHADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2OC2CCC2)c2ccccc21 ZINC000422910768 337691021 /nfs/dbraw/zinc/69/10/21/337691021.db2.gz JCVFVKMMCLFIQJ-RTBURBONSA-N 2 2 308.425 3.852 20 0 DHADLP Cc1csc(C2([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CCC2)n1 ZINC000422934866 337692294 /nfs/dbraw/zinc/69/22/94/337692294.db2.gz GNEBZWICNNNDIW-UKRRQHHQSA-N 2 2 307.507 3.731 20 0 DHADLP COc1ccc([C@H]([NH2+]CCCCCSC)[C@@H]2CCC[NH2+]2)cc1 ZINC000423056940 337697601 /nfs/dbraw/zinc/69/76/01/337697601.db2.gz YJOGEWSGYVPQQY-ROUUACIJSA-N 2 2 322.518 3.611 20 0 DHADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)c1ccc(Cl)cc1 ZINC000423113596 337700158 /nfs/dbraw/zinc/70/01/58/337700158.db2.gz UPCCAVCUDUFCQU-SMDDNHRTSA-N 2 2 302.796 3.539 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1OC(F)F ZINC000423192108 337703173 /nfs/dbraw/zinc/70/31/73/337703173.db2.gz PJFDMFKHFHXWJW-OCCSQVGLSA-N 2 2 320.383 3.844 20 0 DHADLP C[NH2+]CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000423198297 337703578 /nfs/dbraw/zinc/70/35/78/337703578.db2.gz FBGIRHGBAZSQFN-KRWDZBQOSA-N 2 2 306.812 3.768 20 0 DHADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000423259175 337707809 /nfs/dbraw/zinc/70/78/09/337707809.db2.gz DDKMGABZPPNHLI-HZPDHXFCSA-N 2 2 313.445 3.898 20 0 DHADLP Cc1ccc(C)c([C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2Cl)c1 ZINC000423302140 337711031 /nfs/dbraw/zinc/71/10/31/337711031.db2.gz IXVHHXXKTCQSGA-IBGZPJMESA-N 2 2 314.860 3.855 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc2cc(Br)ccc2o1 ZINC000423319624 337711725 /nfs/dbraw/zinc/71/17/25/337711725.db2.gz LTVTYGKQMFRWGN-NOZJJQNGSA-N 2 2 323.234 3.583 20 0 DHADLP [NH3+]C1(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CCC1 ZINC000423318925 337711777 /nfs/dbraw/zinc/71/17/77/337711777.db2.gz FBLLLSJXAQFVRR-LBPRGKRZSA-N 2 2 315.244 3.678 20 0 DHADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423329568 337712217 /nfs/dbraw/zinc/71/22/17/337712217.db2.gz OSPNJTLOCFOXCI-HTQZYQBOSA-N 2 2 314.273 3.722 20 0 DHADLP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1csc(-c2ccccc2F)n1 ZINC000423366557 337714763 /nfs/dbraw/zinc/71/47/63/337714763.db2.gz XVZFLLOHEWCADX-QWHCGFSZSA-N 2 2 319.449 3.742 20 0 DHADLP COc1cc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)ccc1SC ZINC000423377292 337717319 /nfs/dbraw/zinc/71/73/19/337717319.db2.gz FFEIPNVBKBMZRW-GUYCJALGSA-N 2 2 322.518 3.846 20 0 DHADLP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000423479511 337721844 /nfs/dbraw/zinc/72/18/44/337721844.db2.gz VOGCGBOFGQFJCJ-UYAOXDASSA-N 2 2 323.415 3.790 20 0 DHADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc2c(ccc3ccccc23)o1 ZINC000423492751 337722626 /nfs/dbraw/zinc/72/26/26/337722626.db2.gz ONFDQJGWEBMFEK-GOEBONIOSA-N 2 2 324.424 3.615 20 0 DHADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000423533900 337724697 /nfs/dbraw/zinc/72/46/97/337724697.db2.gz UPGPZDGBBAVDKX-CJNGLKHVSA-N 2 2 315.486 3.978 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCC[C@@H](c3ccccc3)CC1)CC2 ZINC000527695135 337760331 /nfs/dbraw/zinc/76/03/31/337760331.db2.gz MXCRMESARYLSOM-CEXWTWQISA-N 2 2 309.457 3.904 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1Br ZINC000424371301 337827796 /nfs/dbraw/zinc/82/77/96/337827796.db2.gz FPOCXQKZAGXYML-OWYVNGRQSA-N 2 2 315.230 3.509 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424306876 337818390 /nfs/dbraw/zinc/81/83/90/337818390.db2.gz WEQBQZPIFJTTSG-GOSISDBHSA-N 2 2 323.465 3.963 20 0 DHADLP C[C@H](C[NH2+]Cc1cccc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000057994236 337866511 /nfs/dbraw/zinc/86/65/11/337866511.db2.gz QAZHSBMVBWTWBB-GFCCVEGCSA-N 2 2 301.261 3.815 20 0 DHADLP CCCOc1cccc2c(N[C@H](C)Cn3cc[nH+]c3)cc[nH+]c12 ZINC000515445480 337989285 /nfs/dbraw/zinc/98/92/85/337989285.db2.gz QFRUFWRJMOYFOU-CQSZACIVSA-N 2 2 310.401 3.721 20 0 DHADLP CC(C)O[C@@H](C[NH+]1CCC2(CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000428300761 338046338 /nfs/dbraw/zinc/04/63/38/338046338.db2.gz ICHIQYCCPFEDRL-IBGZPJMESA-N 2 2 316.489 3.713 20 0 DHADLP CC(C)O[C@@H](C[NH+]1CCC2(CCC[N@H+]2C)CC1)c1ccccc1 ZINC000428300761 338046339 /nfs/dbraw/zinc/04/63/39/338046339.db2.gz ICHIQYCCPFEDRL-IBGZPJMESA-N 2 2 316.489 3.713 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000428378909 338049525 /nfs/dbraw/zinc/04/95/25/338049525.db2.gz JHGGACXBNPQJKT-NVXWUHKLSA-N 2 2 317.477 3.555 20 0 DHADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000428378909 338049526 /nfs/dbraw/zinc/04/95/26/338049526.db2.gz JHGGACXBNPQJKT-NVXWUHKLSA-N 2 2 317.477 3.555 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000428378909 338049527 /nfs/dbraw/zinc/04/95/27/338049527.db2.gz JHGGACXBNPQJKT-NVXWUHKLSA-N 2 2 317.477 3.555 20 0 DHADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000428378909 338049528 /nfs/dbraw/zinc/04/95/28/338049528.db2.gz JHGGACXBNPQJKT-NVXWUHKLSA-N 2 2 317.477 3.555 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428850010 338062080 /nfs/dbraw/zinc/06/20/80/338062080.db2.gz KSFLUZRZQDJZGC-UHFFFAOYSA-N 2 2 321.465 3.645 20 0 DHADLP C[N@@H+]1CC[C@]2(CC[NH+](CCc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004343 338068470 /nfs/dbraw/zinc/06/84/70/338068470.db2.gz LGGIBMNWUFZJIB-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP C[N@H+]1CC[C@]2(CC[NH+](CCc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004343 338068471 /nfs/dbraw/zinc/06/84/71/338068471.db2.gz LGGIBMNWUFZJIB-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@H+](CCc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004343 338068472 /nfs/dbraw/zinc/06/84/72/338068472.db2.gz LGGIBMNWUFZJIB-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP C[NH+]1CC[C@]2(CC[N@@H+](CCc3cc(Cl)ccc3Cl)C2)C1 ZINC000429004343 338068473 /nfs/dbraw/zinc/06/84/73/338068473.db2.gz LGGIBMNWUFZJIB-INIZCTEOSA-N 2 2 313.272 3.564 20 0 DHADLP Cc1ccoc1C[NH+](C)[C@@H](C)CC[N@H+](C)Cc1occc1C ZINC000429359233 338078417 /nfs/dbraw/zinc/07/84/17/338078417.db2.gz BXJJJXKXCWYMOP-INIZCTEOSA-N 2 2 304.434 3.832 20 0 DHADLP Cc1ccoc1C[NH+](C)[C@@H](C)CC[N@@H+](C)Cc1occc1C ZINC000429359233 338078418 /nfs/dbraw/zinc/07/84/18/338078418.db2.gz BXJJJXKXCWYMOP-INIZCTEOSA-N 2 2 304.434 3.832 20 0 DHADLP Cc1ccoc1C[NH+](C)CC[C@H](C)[N@H+](C)Cc1occc1C ZINC000429359233 338078419 /nfs/dbraw/zinc/07/84/19/338078419.db2.gz BXJJJXKXCWYMOP-INIZCTEOSA-N 2 2 304.434 3.832 20 0 DHADLP Cc1ccoc1C[NH+](C)CC[C@H](C)[N@@H+](C)Cc1occc1C ZINC000429359233 338078420 /nfs/dbraw/zinc/07/84/20/338078420.db2.gz BXJJJXKXCWYMOP-INIZCTEOSA-N 2 2 304.434 3.832 20 0 DHADLP COC1(C[C@@H](C)[NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CCC1 ZINC000429378877 338079190 /nfs/dbraw/zinc/07/91/90/338079190.db2.gz ITAOHWFEUWRNKU-MJGOQNOKSA-N 2 2 316.489 3.761 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000429432019 338080846 /nfs/dbraw/zinc/08/08/46/338080846.db2.gz CWSAJQKROLUSNB-SCTDSRPQSA-N 2 2 316.489 3.587 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000429432019 338080847 /nfs/dbraw/zinc/08/08/47/338080847.db2.gz CWSAJQKROLUSNB-SCTDSRPQSA-N 2 2 316.489 3.587 20 0 DHADLP COC1(C[C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CCC1 ZINC000429454264 338081680 /nfs/dbraw/zinc/08/16/80/338081680.db2.gz ONPSBQJSDWIQKK-LNLFQRSKSA-N 2 2 318.505 3.924 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000430584174 338109242 /nfs/dbraw/zinc/10/92/42/338109242.db2.gz OCOZFDYSZPOFPY-QWHCGFSZSA-N 2 2 324.419 3.798 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000430584174 338109243 /nfs/dbraw/zinc/10/92/43/338109243.db2.gz OCOZFDYSZPOFPY-QWHCGFSZSA-N 2 2 324.419 3.798 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1Oc1cccnc1 ZINC000430642212 338110232 /nfs/dbraw/zinc/11/02/32/338110232.db2.gz ODTCFXTYNDJHAI-MAUKXSAKSA-N 2 2 311.429 3.576 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1Oc1cccnc1 ZINC000430642212 338110233 /nfs/dbraw/zinc/11/02/33/338110233.db2.gz ODTCFXTYNDJHAI-MAUKXSAKSA-N 2 2 311.429 3.576 20 0 DHADLP CCC[N@H+](Cc1csc(CCC(C)C)n1)C1CC[NH2+]CC1 ZINC000431100611 338122612 /nfs/dbraw/zinc/12/26/12/338122612.db2.gz MZDGRTHHAWHFSM-UHFFFAOYSA-N 2 2 309.523 3.696 20 0 DHADLP CCC[N@@H+](Cc1csc(CCC(C)C)n1)C1CC[NH2+]CC1 ZINC000431100611 338122613 /nfs/dbraw/zinc/12/26/13/338122613.db2.gz MZDGRTHHAWHFSM-UHFFFAOYSA-N 2 2 309.523 3.696 20 0 DHADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432230275 338149368 /nfs/dbraw/zinc/14/93/68/338149368.db2.gz ZVUHXGPMHQLQKQ-NSHDSACASA-N 2 2 319.251 3.954 20 0 DHADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432230275 338149369 /nfs/dbraw/zinc/14/93/69/338149369.db2.gz ZVUHXGPMHQLQKQ-NSHDSACASA-N 2 2 319.251 3.954 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[N@@H+]1C ZINC000432244250 338150220 /nfs/dbraw/zinc/15/02/20/338150220.db2.gz CHCWYQUEPNAOSN-MWLCHTKSSA-N 2 2 305.224 3.705 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC[N@H+]1C ZINC000432244250 338150221 /nfs/dbraw/zinc/15/02/21/338150221.db2.gz CHCWYQUEPNAOSN-MWLCHTKSSA-N 2 2 305.224 3.705 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C2CCC2)o1 ZINC000432413592 338155534 /nfs/dbraw/zinc/15/55/34/338155534.db2.gz NCZLNRNUYQVEFL-QFBILLFUSA-N 2 2 320.477 3.520 20 0 DHADLP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CCC2)o1 ZINC000432413592 338155535 /nfs/dbraw/zinc/15/55/35/338155535.db2.gz NCZLNRNUYQVEFL-QFBILLFUSA-N 2 2 320.477 3.520 20 0 DHADLP Fc1ccc2nc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)sc2c1 ZINC000432750380 338166268 /nfs/dbraw/zinc/16/62/68/338166268.db2.gz YCXWZVXHEWSSNT-UHFFFAOYSA-N 2 2 316.405 3.538 20 0 DHADLP C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cccc2[nH+]ccn21 ZINC000432793736 338168090 /nfs/dbraw/zinc/16/80/90/338168090.db2.gz RKFZSSCXNYUZQW-UHFFFAOYSA-N 2 2 303.768 3.759 20 0 DHADLP C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cccc2[nH+]ccn21 ZINC000432793736 338168091 /nfs/dbraw/zinc/16/80/91/338168091.db2.gz RKFZSSCXNYUZQW-UHFFFAOYSA-N 2 2 303.768 3.759 20 0 DHADLP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000432925125 338173555 /nfs/dbraw/zinc/17/35/55/338173555.db2.gz AWDQFTHHTXGYFG-QGZVFWFLSA-N 2 2 319.408 3.904 20 0 DHADLP CC1(C)CC([NH2+]Cc2ncc(C(F)(F)F)s2)CC(C)(C)[NH2+]1 ZINC000433326296 338192411 /nfs/dbraw/zinc/19/24/11/338192411.db2.gz NCRPIUWOKCOGLI-UHFFFAOYSA-N 2 2 321.412 3.561 20 0 DHADLP c1ccc2[nH+]c(CCCNc3cc[nH+]c4ccccc34)[nH]c2c1 ZINC000433786112 338201822 /nfs/dbraw/zinc/20/18/22/338201822.db2.gz VLPCKUXOLZPTOG-UHFFFAOYSA-N 2 2 302.381 3.578 20 0 DHADLP CC(C)c1nc(N2CCC[C@H]([NH+](C)C)CC2)cc(C(C)(C)C)[nH+]1 ZINC000433802756 338202422 /nfs/dbraw/zinc/20/24/22/338202422.db2.gz JZODCSQKVJXANE-HNNXBMFYSA-N 2 2 318.509 3.818 20 0 DHADLP CC[N@H+](Cc1nc(-c2cccs2)oc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435626600 338243934 /nfs/dbraw/zinc/24/39/34/338243934.db2.gz LADRQGCILNRLLS-CQSZACIVSA-N 2 2 319.474 3.676 20 0 DHADLP CC[N@@H+](Cc1nc(-c2cccs2)oc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435626600 338243935 /nfs/dbraw/zinc/24/39/35/338243935.db2.gz LADRQGCILNRLLS-CQSZACIVSA-N 2 2 319.474 3.676 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[N@@H+]1C1CC1 ZINC000435790161 338249409 /nfs/dbraw/zinc/24/94/09/338249409.db2.gz HZWAQCXWQMLMIB-ODVANORSSA-N 2 2 304.865 3.801 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)C[N@H+]1C1CC1 ZINC000435790161 338249410 /nfs/dbraw/zinc/24/94/10/338249410.db2.gz HZWAQCXWQMLMIB-ODVANORSSA-N 2 2 304.865 3.801 20 0 DHADLP CC(C)[C@H](CC(F)(F)F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000437089724 338300345 /nfs/dbraw/zinc/30/03/45/338300345.db2.gz CFPLGHFDNKSSCB-AWEZNQCLSA-N 2 2 315.383 3.617 20 0 DHADLP C[C@@H](C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000437800300 338322020 /nfs/dbraw/zinc/32/20/20/338322020.db2.gz XCSYLIMWJBXGBH-JKSUJKDBSA-N 2 2 315.436 3.617 20 0 DHADLP C[C@@H](C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000437800300 338322021 /nfs/dbraw/zinc/32/20/21/338322021.db2.gz XCSYLIMWJBXGBH-JKSUJKDBSA-N 2 2 315.436 3.617 20 0 DHADLP C[C@@H]1CCC[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000437962459 338326494 /nfs/dbraw/zinc/32/64/94/338326494.db2.gz JSGLLMSEJGLXOF-JYBIWHBTSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000437962459 338326495 /nfs/dbraw/zinc/32/64/95/338326495.db2.gz JSGLLMSEJGLXOF-JYBIWHBTSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@@H]1CCC[C@@H](C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000437962459 338326496 /nfs/dbraw/zinc/32/64/96/338326496.db2.gz JSGLLMSEJGLXOF-JYBIWHBTSA-N 2 2 315.505 3.833 20 0 DHADLP C[C@@H]1CCC[C@@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000437962459 338326497 /nfs/dbraw/zinc/32/64/97/338326497.db2.gz JSGLLMSEJGLXOF-JYBIWHBTSA-N 2 2 315.505 3.833 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000438196350 338336161 /nfs/dbraw/zinc/33/61/61/338336161.db2.gz AQGSTFNESMEQFQ-MCIONIFRSA-N 2 2 304.400 3.714 20 0 DHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000438196350 338336162 /nfs/dbraw/zinc/33/61/62/338336162.db2.gz AQGSTFNESMEQFQ-MCIONIFRSA-N 2 2 304.400 3.714 20 0 DHADLP c1cn2c(cccc2C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)[nH+]1 ZINC000438376915 338342072 /nfs/dbraw/zinc/34/20/72/338342072.db2.gz PYQAUFZXEPKVBJ-QZTJIDSGSA-N 2 2 305.425 3.835 20 0 DHADLP CCC1(C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCOCC1 ZINC000441346801 338409781 /nfs/dbraw/zinc/40/97/81/338409781.db2.gz KRWDNXJSMOSMMQ-UHFFFAOYSA-N 2 2 322.537 3.829 20 0 DHADLP COc1cc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1C ZINC000446813594 338536545 /nfs/dbraw/zinc/53/65/45/338536545.db2.gz RMBFCBSXIRRLTA-UZLBHIALSA-N 2 2 312.457 3.785 20 0 DHADLP C[C@H](CC(C)(C)C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000449197958 338601727 /nfs/dbraw/zinc/60/17/27/338601727.db2.gz YWAVAAYOKOHYHR-OAHLLOKOSA-N 2 2 318.509 3.849 20 0 DHADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccncc2F)CC1 ZINC000449294520 338610260 /nfs/dbraw/zinc/61/02/60/338610260.db2.gz LXSKFBXCNSMNGA-UHFFFAOYSA-N 2 2 324.403 3.716 20 0 DHADLP C[NH+](C)C1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450251112 338673492 /nfs/dbraw/zinc/67/34/92/338673492.db2.gz QZPLBCKOPFSNET-UHFFFAOYSA-N 2 2 307.800 3.558 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)no1 ZINC000459416879 339028002 /nfs/dbraw/zinc/02/80/02/339028002.db2.gz SYFDBJBTOADWAM-UHFFFAOYSA-N 2 2 313.445 3.649 20 0 DHADLP Cn1c[nH+]cc1CC[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000459440055 339029263 /nfs/dbraw/zinc/02/92/63/339029263.db2.gz WQMCHNRFACIXEW-UHFFFAOYSA-N 2 2 321.827 3.577 20 0 DHADLP Cn1c[nH+]cc1CC[NH+]1CCC(C)(c2cccc(Cl)c2)CC1 ZINC000459448627 339029863 /nfs/dbraw/zinc/02/98/63/339029863.db2.gz RUEZRMBBYNVGTA-UHFFFAOYSA-N 2 2 317.864 3.670 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000459655331 339040818 /nfs/dbraw/zinc/04/08/18/339040818.db2.gz GBKNYBWIXHAZOI-SJORKVTESA-N 2 2 303.837 3.542 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)C[N@@H+]1C1CC1 ZINC000459662414 339041421 /nfs/dbraw/zinc/04/14/21/339041421.db2.gz ALAJMEKKCFJMBB-GKSGUAPZSA-N 2 2 308.828 3.550 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)C[N@H+]1C1CC1 ZINC000459662414 339041422 /nfs/dbraw/zinc/04/14/22/339041422.db2.gz ALAJMEKKCFJMBB-GKSGUAPZSA-N 2 2 308.828 3.550 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000459665570 339041588 /nfs/dbraw/zinc/04/15/88/339041588.db2.gz QNLGGLPSIHWLSC-NVXWUHKLSA-N 2 2 303.837 3.542 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc1C ZINC000459676651 339042501 /nfs/dbraw/zinc/04/25/01/339042501.db2.gz UXCMJOAIPJSOKQ-UHFFFAOYSA-N 2 2 301.478 3.585 20 0 DHADLP CC(C)c1ccc(CC2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000462458044 339079313 /nfs/dbraw/zinc/07/93/13/339079313.db2.gz XPRZKDPCCUEXFG-UHFFFAOYSA-N 2 2 311.473 3.961 20 0 DHADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000463026478 339101333 /nfs/dbraw/zinc/10/13/33/339101333.db2.gz YPDFJKZKXPVQNL-NVXWUHKLSA-N 2 2 304.478 3.999 20 0 DHADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000463026478 339101334 /nfs/dbraw/zinc/10/13/34/339101334.db2.gz YPDFJKZKXPVQNL-NVXWUHKLSA-N 2 2 304.478 3.999 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463146530 339107190 /nfs/dbraw/zinc/10/71/90/339107190.db2.gz CKDGIQCJVJJPEB-HDICACEKSA-N 2 2 315.505 3.508 20 0 DHADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000463146530 339107191 /nfs/dbraw/zinc/10/71/91/339107191.db2.gz CKDGIQCJVJJPEB-HDICACEKSA-N 2 2 315.505 3.508 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@](C)(F)C1 ZINC000463146967 339107250 /nfs/dbraw/zinc/10/72/50/339107250.db2.gz CRCXWDBRHWUGRO-GOSISDBHSA-N 2 2 303.425 3.949 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@](C)(F)C1 ZINC000463146967 339107251 /nfs/dbraw/zinc/10/72/51/339107251.db2.gz CRCXWDBRHWUGRO-GOSISDBHSA-N 2 2 303.425 3.949 20 0 DHADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000467382803 339235794 /nfs/dbraw/zinc/23/57/94/339235794.db2.gz QYSXBIPRQLLHIE-WBMJQRKESA-N 2 2 314.395 3.566 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000468047321 339252709 /nfs/dbraw/zinc/25/27/09/339252709.db2.gz JRPRDXGICPRUSX-NFAWXSAZSA-N 2 2 300.368 3.752 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000468047321 339252710 /nfs/dbraw/zinc/25/27/10/339252710.db2.gz JRPRDXGICPRUSX-NFAWXSAZSA-N 2 2 300.368 3.752 20 0 DHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000472053444 339361184 /nfs/dbraw/zinc/36/11/84/339361184.db2.gz NFLZUAJQPVQKBV-CHWSQXEVSA-N 2 2 315.914 3.787 20 0 DHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000473151142 339383111 /nfs/dbraw/zinc/38/31/11/339383111.db2.gz QNVOSDNYHZNHDR-MSOLQXFVSA-N 2 2 311.473 3.843 20 0 DHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000473151142 339383112 /nfs/dbraw/zinc/38/31/12/339383112.db2.gz QNVOSDNYHZNHDR-MSOLQXFVSA-N 2 2 311.473 3.843 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000473151142 339383113 /nfs/dbraw/zinc/38/31/13/339383113.db2.gz QNVOSDNYHZNHDR-MSOLQXFVSA-N 2 2 311.473 3.843 20 0 DHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000473151142 339383114 /nfs/dbraw/zinc/38/31/14/339383114.db2.gz QNVOSDNYHZNHDR-MSOLQXFVSA-N 2 2 311.473 3.843 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000474055797 339399601 /nfs/dbraw/zinc/39/96/01/339399601.db2.gz SUBCJSGMKPBJNI-FHWLQOOXSA-N 2 2 314.473 3.634 20 0 DHADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000474055797 339399602 /nfs/dbraw/zinc/39/96/02/339399602.db2.gz SUBCJSGMKPBJNI-FHWLQOOXSA-N 2 2 314.473 3.634 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1 ZINC000474473627 339416346 /nfs/dbraw/zinc/41/63/46/339416346.db2.gz KFDSHHYDOUBVRF-SJORKVTESA-N 2 2 304.478 3.653 20 0 DHADLP COC[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1)C(C)C ZINC000479877700 339552267 /nfs/dbraw/zinc/55/22/67/339552267.db2.gz YQKNZBPLBQGLJQ-DLBZAZTESA-N 2 2 324.534 3.782 20 0 DHADLP COC[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C(C)C ZINC000479877707 339552381 /nfs/dbraw/zinc/55/23/81/339552381.db2.gz YQKNZBPLBQGLJQ-SJORKVTESA-N 2 2 324.534 3.782 20 0 DHADLP C[NH+](C)[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000480087512 339558452 /nfs/dbraw/zinc/55/84/52/339558452.db2.gz XFXIWJVCVIIXKJ-NHCUHLMSSA-N 2 2 308.469 3.900 20 0 DHADLP COC1(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CCCC1 ZINC000480384944 339571457 /nfs/dbraw/zinc/57/14/57/339571457.db2.gz ITPXZARVBSHAGC-LJQANCHMSA-N 2 2 316.489 3.681 20 0 DHADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)CC2 ZINC000481947945 339617785 /nfs/dbraw/zinc/61/77/85/339617785.db2.gz NXZFMINVAUAVCV-SFTDATJTSA-N 2 2 324.468 3.883 20 0 DHADLP C[C@@H](C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1 ZINC000482011923 339619862 /nfs/dbraw/zinc/61/98/62/339619862.db2.gz CLIZJOVGOBODHM-QGZVFWFLSA-N 2 2 305.425 3.841 20 0 DHADLP C(=C\c1ccncc1)\C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000486969611 339740733 /nfs/dbraw/zinc/74/07/33/339740733.db2.gz PVJGTAZOHBOZOD-IVZVJUQRSA-N 2 2 313.470 3.583 20 0 DHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C1CC(C(C)C)C1 ZINC000488288038 339775653 /nfs/dbraw/zinc/77/56/53/339775653.db2.gz BYGMHQJITZCDSC-UHFFFAOYSA-N 2 2 301.478 3.593 20 0 DHADLP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CS1 ZINC000488452779 339783480 /nfs/dbraw/zinc/78/34/80/339783480.db2.gz BMJCECRSWLIMPI-DOTOQJQBSA-N 2 2 315.486 3.882 20 0 DHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000498919789 340025909 /nfs/dbraw/zinc/02/59/09/340025909.db2.gz WZJGPNHIWOYYQZ-VLIAUNLRSA-N 2 2 304.437 3.829 20 0 DHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000498919789 340025910 /nfs/dbraw/zinc/02/59/10/340025910.db2.gz WZJGPNHIWOYYQZ-VLIAUNLRSA-N 2 2 304.437 3.829 20 0 DHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000498919790 340025935 /nfs/dbraw/zinc/02/59/35/340025935.db2.gz WZJGPNHIWOYYQZ-XOBRGWDASA-N 2 2 304.437 3.829 20 0 DHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000498919790 340025936 /nfs/dbraw/zinc/02/59/36/340025936.db2.gz WZJGPNHIWOYYQZ-XOBRGWDASA-N 2 2 304.437 3.829 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(F)(F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000500241551 340053771 /nfs/dbraw/zinc/05/37/71/340053771.db2.gz JCBATCQXKCGKSF-RHSMWYFYSA-N 2 2 308.416 3.817 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(F)(F)CC2)C[N@H+]1Cc1ccccc1 ZINC000500241551 340053772 /nfs/dbraw/zinc/05/37/72/340053772.db2.gz JCBATCQXKCGKSF-RHSMWYFYSA-N 2 2 308.416 3.817 20 0 DHADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000502293261 340099039 /nfs/dbraw/zinc/09/90/39/340099039.db2.gz ZQQQCRNVOWMFLA-AHRSYUTCSA-N 2 2 316.464 3.958 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@@H+](CC3CCCCC3)C2)n2c1CCCC2 ZINC000502322935 340099781 /nfs/dbraw/zinc/09/97/81/340099781.db2.gz SPICZQHROUQJHA-QGZVFWFLSA-N 2 2 301.478 3.979 20 0 DHADLP c1[nH+]c([C@@H]2CCC[N@H+](CC3CCCCC3)C2)n2c1CCCC2 ZINC000502322935 340099782 /nfs/dbraw/zinc/09/97/82/340099782.db2.gz SPICZQHROUQJHA-QGZVFWFLSA-N 2 2 301.478 3.979 20 0 DHADLP CCCC[C@H](CC)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000502685701 340110426 /nfs/dbraw/zinc/11/04/26/340110426.db2.gz RSPYVMLHMFKQQF-AWEZNQCLSA-N 2 2 324.432 3.839 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000502696267 340110955 /nfs/dbraw/zinc/11/09/55/340110955.db2.gz IYTLTAXKGFWZOK-UFYCRDLUSA-N 2 2 316.489 3.618 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000503073105 340120244 /nfs/dbraw/zinc/12/02/44/340120244.db2.gz MVWIIJMVSLGYPA-VQTJNVASSA-N 2 2 312.432 3.989 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000503073105 340120245 /nfs/dbraw/zinc/12/02/45/340120245.db2.gz MVWIIJMVSLGYPA-VQTJNVASSA-N 2 2 312.432 3.989 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000507515796 340223741 /nfs/dbraw/zinc/22/37/41/340223741.db2.gz VEJALHZNGGJHEQ-LBPRGKRZSA-N 2 2 314.342 3.571 20 0 DHADLP COCc1ccccc1/C=C(\C)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000508011900 340237295 /nfs/dbraw/zinc/23/72/95/340237295.db2.gz HNFFHEZVCYDCDW-GHRIWEEISA-N 2 2 316.489 3.699 20 0 DHADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)CC(F)(F)F ZINC000402799254 340265554 /nfs/dbraw/zinc/26/55/54/340265554.db2.gz WWIVKBLXZAGNEC-DZKIICNBSA-N 2 2 314.395 3.685 20 0 DHADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(F)(F)F ZINC000402799254 340265555 /nfs/dbraw/zinc/26/55/55/340265555.db2.gz WWIVKBLXZAGNEC-DZKIICNBSA-N 2 2 314.395 3.685 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2ccccc2Cl)CC1 ZINC000509466937 340270413 /nfs/dbraw/zinc/27/04/13/340270413.db2.gz WMFTVUPDFQXKAS-MRXNPFEDSA-N 2 2 304.865 3.913 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=C(c2ccccc2Cl)CC1 ZINC000509466937 340270414 /nfs/dbraw/zinc/27/04/14/340270414.db2.gz WMFTVUPDFQXKAS-MRXNPFEDSA-N 2 2 304.865 3.913 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509466937 340270415 /nfs/dbraw/zinc/27/04/15/340270415.db2.gz WMFTVUPDFQXKAS-MRXNPFEDSA-N 2 2 304.865 3.913 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000509466937 340270416 /nfs/dbraw/zinc/27/04/16/340270416.db2.gz WMFTVUPDFQXKAS-MRXNPFEDSA-N 2 2 304.865 3.913 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000510716686 340307786 /nfs/dbraw/zinc/30/77/86/340307786.db2.gz HHHREVNYBNTLQV-MGPQQGTHSA-N 2 2 308.416 3.501 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000510716686 340307787 /nfs/dbraw/zinc/30/77/87/340307787.db2.gz HHHREVNYBNTLQV-MGPQQGTHSA-N 2 2 308.416 3.501 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000510716683 340307811 /nfs/dbraw/zinc/30/78/11/340307811.db2.gz HHHREVNYBNTLQV-MCIONIFRSA-N 2 2 308.416 3.501 20 0 DHADLP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000510716683 340307812 /nfs/dbraw/zinc/30/78/12/340307812.db2.gz HHHREVNYBNTLQV-MCIONIFRSA-N 2 2 308.416 3.501 20 0 DHADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510729246 340308372 /nfs/dbraw/zinc/30/83/72/340308372.db2.gz CRKTXPAHHHITOY-LBTNJELSSA-N 2 2 310.432 3.604 20 0 DHADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510729246 340308373 /nfs/dbraw/zinc/30/83/73/340308373.db2.gz CRKTXPAHHHITOY-LBTNJELSSA-N 2 2 310.432 3.604 20 0 DHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000510733158 340308680 /nfs/dbraw/zinc/30/86/80/340308680.db2.gz LAMGYWBCMBKCSR-CHWSQXEVSA-N 2 2 302.384 3.566 20 0 DHADLP Cc1cccc([C@@H]([NH2+]CCC[NH+](C)C)c2cccc(F)c2)c1 ZINC000510755615 340309930 /nfs/dbraw/zinc/30/99/30/340309930.db2.gz POHJCOQSRZUFIW-LJQANCHMSA-N 2 2 300.421 3.765 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000510871825 340313537 /nfs/dbraw/zinc/31/35/37/340313537.db2.gz ITVKXRIOAZFGJZ-HLIPFELVSA-N 2 2 324.468 3.748 20 0 DHADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000510871825 340313538 /nfs/dbraw/zinc/31/35/38/340313538.db2.gz ITVKXRIOAZFGJZ-HLIPFELVSA-N 2 2 324.468 3.748 20 0 DHADLP COCC[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000510960636 340316402 /nfs/dbraw/zinc/31/64/02/340316402.db2.gz RRYAYOROKZCMHZ-RBUKOAKNSA-N 2 2 318.505 3.692 20 0 DHADLP COCC[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000510960636 340316403 /nfs/dbraw/zinc/31/64/03/340316403.db2.gz RRYAYOROKZCMHZ-RBUKOAKNSA-N 2 2 318.505 3.692 20 0 DHADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510987877 340317197 /nfs/dbraw/zinc/31/71/97/340317197.db2.gz UBVZSLLAAWHBQJ-HNNXBMFYSA-N 2 2 308.416 3.528 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510987877 340317198 /nfs/dbraw/zinc/31/71/98/340317198.db2.gz UBVZSLLAAWHBQJ-HNNXBMFYSA-N 2 2 308.416 3.528 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)(C)C ZINC000510992081 340317491 /nfs/dbraw/zinc/31/74/91/340317491.db2.gz BNBNKKNNBCWXAW-UHOSZYNNSA-N 2 2 318.505 3.548 20 0 DHADLP COCC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)(C)C ZINC000510992081 340317492 /nfs/dbraw/zinc/31/74/92/340317492.db2.gz BNBNKKNNBCWXAW-UHOSZYNNSA-N 2 2 318.505 3.548 20 0 DHADLP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000512286562 340355433 /nfs/dbraw/zinc/35/54/33/340355433.db2.gz PDTGGNMDQKVNII-HNNXBMFYSA-N 2 2 317.864 3.837 20 0 DHADLP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000512286562 340355434 /nfs/dbraw/zinc/35/54/34/340355434.db2.gz PDTGGNMDQKVNII-HNNXBMFYSA-N 2 2 317.864 3.837 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000512391217 340360217 /nfs/dbraw/zinc/36/02/17/340360217.db2.gz LEOSSILHVWMPHW-UZLBHIALSA-N 2 2 324.468 3.935 20 0 DHADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000512391217 340360218 /nfs/dbraw/zinc/36/02/18/340360218.db2.gz LEOSSILHVWMPHW-UZLBHIALSA-N 2 2 324.468 3.935 20 0 DHADLP CC1=CC[N@H+](CC[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000512542287 340366143 /nfs/dbraw/zinc/36/61/43/340366143.db2.gz MWIRKBFPVUZOFA-UHFFFAOYSA-N 2 2 304.865 3.828 20 0 DHADLP CC1=CC[N@@H+](CC[NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000512542287 340366144 /nfs/dbraw/zinc/36/61/44/340366144.db2.gz MWIRKBFPVUZOFA-UHFFFAOYSA-N 2 2 304.865 3.828 20 0 DHADLP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513238220 340399000 /nfs/dbraw/zinc/39/90/00/340399000.db2.gz KFCKGSCNXUCHDI-DZGCQCFKSA-N 2 2 306.416 3.962 20 0 DHADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000513544182 340412983 /nfs/dbraw/zinc/41/29/83/340412983.db2.gz DZIVCRQLMGHQNX-QXSWTLKVSA-N 2 2 324.921 3.770 20 0 DHADLP C[C@@H]1C[NH+](CCC[NH2+]C2CCC(C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000524728260 340662476 /nfs/dbraw/zinc/66/24/76/340662476.db2.gz OBPZUXZIAMLKCF-MRLCAUJQSA-N 2 2 310.526 3.680 20 0 DHADLP CC[C@@H](Cc1ccccc1)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000237030525 340667507 /nfs/dbraw/zinc/66/75/07/340667507.db2.gz BVBBRPMJWAGGAI-SFHVURJKSA-N 2 2 307.441 3.956 20 0 DHADLP COc1ccc([C@H](C[NH2+]C[C@H]2CC=CCC2)[NH+]2CCCC2)cc1 ZINC000237331622 340670182 /nfs/dbraw/zinc/67/01/82/340670182.db2.gz WLQCRJTVWPORQA-PXNSSMCTSA-N 2 2 314.473 3.778 20 0 DHADLP CC(C)([NH2+]CCC[NH+]1CCCCC1)c1nc2ccccc2s1 ZINC000528602299 340725767 /nfs/dbraw/zinc/72/57/67/340725767.db2.gz KUXYAKMDEBQPFC-UHFFFAOYSA-N 2 2 317.502 3.997 20 0 DHADLP COc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)c2ccccc2)cc1 ZINC000530213622 340782649 /nfs/dbraw/zinc/78/26/49/340782649.db2.gz AZBVRFFYWCXAIM-VQTJNVASSA-N 2 2 322.452 3.659 20 0 DHADLP CCC[C@@H](C)C[NH2+]C1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000538399785 340821158 /nfs/dbraw/zinc/82/11/58/340821158.db2.gz KCAYAKBBHILMAG-OAHLLOKOSA-N 2 2 322.497 3.707 20 0 DHADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000129244491 340952072 /nfs/dbraw/zinc/95/20/72/340952072.db2.gz WRZATLIWKAIEQD-STQMWFEESA-N 2 2 311.351 3.588 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000541587813 340976198 /nfs/dbraw/zinc/97/61/98/340976198.db2.gz UDRXRHDGDHQKPC-INIZCTEOSA-N 2 2 307.441 3.813 20 0 DHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCc2ccccc2C1 ZINC000542466594 341008565 /nfs/dbraw/zinc/00/85/65/341008565.db2.gz NFMGJUSVCHRATL-QGZVFWFLSA-N 2 2 323.465 3.923 20 0 DHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCc2ccccc2C1 ZINC000542466594 341008566 /nfs/dbraw/zinc/00/85/66/341008566.db2.gz NFMGJUSVCHRATL-QGZVFWFLSA-N 2 2 323.465 3.923 20 0 DHADLP C[C@H](CCC(F)(F)F)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000542486532 341009788 /nfs/dbraw/zinc/00/97/88/341009788.db2.gz OAEQVZYRAYYDRF-GFCCVEGCSA-N 2 2 313.367 3.827 20 0 DHADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cc2c(s1)CCC2 ZINC000130624354 341034019 /nfs/dbraw/zinc/03/40/19/341034019.db2.gz MLNRMDQIORMHOS-ZDUSSCGKSA-N 2 2 311.454 3.778 20 0 DHADLP CCOc1ccccc1[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130668945 341038724 /nfs/dbraw/zinc/03/87/24/341038724.db2.gz ACLJCRZAMLUVOD-OAHLLOKOSA-N 2 2 309.413 3.626 20 0 DHADLP Cc1cccc(C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CC2)c1 ZINC000130683481 341039175 /nfs/dbraw/zinc/03/91/75/341039175.db2.gz NWWZOYILTXZWNR-FQEVSTJZSA-N 2 2 319.452 3.796 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000130803397 341045851 /nfs/dbraw/zinc/04/58/51/341045851.db2.gz BOJKLDACLWXTMM-CYBMUJFWSA-N 2 2 311.351 3.985 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000130803397 341045852 /nfs/dbraw/zinc/04/58/52/341045852.db2.gz BOJKLDACLWXTMM-CYBMUJFWSA-N 2 2 311.351 3.985 20 0 DHADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421224 341081497 /nfs/dbraw/zinc/08/14/97/341081497.db2.gz JHCZDIPBKNNEBY-CABCVRRESA-N 2 2 319.493 3.715 20 0 DHADLP C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421224 341081498 /nfs/dbraw/zinc/08/14/98/341081498.db2.gz JHCZDIPBKNNEBY-CABCVRRESA-N 2 2 319.493 3.715 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718605 341101625 /nfs/dbraw/zinc/10/16/25/341101625.db2.gz RLKLCVPRRXTJKX-HUUCEWRRSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718605 341101626 /nfs/dbraw/zinc/10/16/26/341101626.db2.gz RLKLCVPRRXTJKX-HUUCEWRRSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000131758564 341111029 /nfs/dbraw/zinc/11/10/29/341111029.db2.gz IOORHPJZZKHSBZ-CJNGLKHVSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131758564 341111030 /nfs/dbraw/zinc/11/10/30/341111030.db2.gz IOORHPJZZKHSBZ-CJNGLKHVSA-N 2 2 323.362 3.985 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000073827659 341121767 /nfs/dbraw/zinc/12/17/67/341121767.db2.gz OBXQCVCVXXOFAJ-UHFFFAOYSA-N 2 2 316.489 3.731 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2c(C)cc(C)c(C(C)=O)c2C)CC1 ZINC000073827659 341121768 /nfs/dbraw/zinc/12/17/68/341121768.db2.gz OBXQCVCVXXOFAJ-UHFFFAOYSA-N 2 2 316.489 3.731 20 0 DHADLP C[NH+](C)CC1(C[NH2+][C@H]2CCc3c2c(F)ccc3F)CCCC1 ZINC000545520909 341128429 /nfs/dbraw/zinc/12/84/29/341128429.db2.gz ZUCXQNINKCNKDJ-INIZCTEOSA-N 2 2 308.416 3.664 20 0 DHADLP c1ccc([C@H]2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000133302399 341171195 /nfs/dbraw/zinc/17/11/95/341171195.db2.gz NFJWESBZGIXTSD-ICSRJNTNSA-N 2 2 321.468 3.976 20 0 DHADLP COc1ccc2ccccc2c1C[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000546564666 341173115 /nfs/dbraw/zinc/17/31/15/341173115.db2.gz WDMJGJNLFIXWKN-UHFFFAOYSA-N 2 2 310.441 3.590 20 0 DHADLP COc1ccc2ccccc2c1C[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000546564666 341173116 /nfs/dbraw/zinc/17/31/16/341173116.db2.gz WDMJGJNLFIXWKN-UHFFFAOYSA-N 2 2 310.441 3.590 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134876223 341225683 /nfs/dbraw/zinc/22/56/83/341225683.db2.gz XMHGITFFRRMXBP-HBUWYVDXSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134876223 341225684 /nfs/dbraw/zinc/22/56/84/341225684.db2.gz XMHGITFFRRMXBP-HBUWYVDXSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134876223 341225685 /nfs/dbraw/zinc/22/56/85/341225685.db2.gz XMHGITFFRRMXBP-HBUWYVDXSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134876223 341225686 /nfs/dbraw/zinc/22/56/86/341225686.db2.gz XMHGITFFRRMXBP-HBUWYVDXSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)o1 ZINC000136078202 341252401 /nfs/dbraw/zinc/25/24/01/341252401.db2.gz PZGXKEHCBMDXQA-SUMWQHHRSA-N 2 2 316.420 3.894 20 0 DHADLP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136221377 341255189 /nfs/dbraw/zinc/25/51/89/341255189.db2.gz FBVQLEVNESNDOD-SUMWQHHRSA-N 2 2 303.837 3.928 20 0 DHADLP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136221377 341255190 /nfs/dbraw/zinc/25/51/90/341255190.db2.gz FBVQLEVNESNDOD-SUMWQHHRSA-N 2 2 303.837 3.928 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccc(OC)c1 ZINC000549041026 341284354 /nfs/dbraw/zinc/28/43/54/341284354.db2.gz UMRBYZUGWPBWEA-LDTOTXGLSA-N 2 2 316.489 3.856 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccc(OC)c1 ZINC000549041027 341284449 /nfs/dbraw/zinc/28/44/49/341284449.db2.gz UMRBYZUGWPBWEA-OBZTUIKSSA-N 2 2 316.489 3.856 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245529614 341300196 /nfs/dbraw/zinc/30/01/96/341300196.db2.gz BVWIPMHBDNGYMX-LSDHHAIUSA-N 2 2 301.434 3.695 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245529614 341300197 /nfs/dbraw/zinc/30/01/97/341300197.db2.gz BVWIPMHBDNGYMX-LSDHHAIUSA-N 2 2 301.434 3.695 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245529614 341300198 /nfs/dbraw/zinc/30/01/98/341300198.db2.gz BVWIPMHBDNGYMX-LSDHHAIUSA-N 2 2 301.434 3.695 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245529614 341300199 /nfs/dbraw/zinc/30/01/99/341300199.db2.gz BVWIPMHBDNGYMX-LSDHHAIUSA-N 2 2 301.434 3.695 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245532644 341300202 /nfs/dbraw/zinc/30/02/02/341300202.db2.gz DCTSYRIWDDJHQT-HUUCEWRRSA-N 2 2 301.434 3.553 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000245532644 341300203 /nfs/dbraw/zinc/30/02/03/341300203.db2.gz DCTSYRIWDDJHQT-HUUCEWRRSA-N 2 2 301.434 3.553 20 0 DHADLP CCOC1(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCCC1 ZINC000549864034 341305401 /nfs/dbraw/zinc/30/54/01/341305401.db2.gz QASSIGNUWSGFRO-MJGOQNOKSA-N 2 2 316.489 3.761 20 0 DHADLP CCOC1(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCCC1 ZINC000549864034 341305402 /nfs/dbraw/zinc/30/54/02/341305402.db2.gz QASSIGNUWSGFRO-MJGOQNOKSA-N 2 2 316.489 3.761 20 0 DHADLP C[C@H]1CC[N@H+](CCSc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245717300 341311624 /nfs/dbraw/zinc/31/16/24/341311624.db2.gz UFNKXDGDCDYMJY-WMLDXEAASA-N 2 2 319.449 3.697 20 0 DHADLP C[C@H]1CC[N@@H+](CCSc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245717300 341311625 /nfs/dbraw/zinc/31/16/25/341311625.db2.gz UFNKXDGDCDYMJY-WMLDXEAASA-N 2 2 319.449 3.697 20 0 DHADLP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CCC1 ZINC000551176666 341333194 /nfs/dbraw/zinc/33/31/94/341333194.db2.gz ZFVAUFGDWTWERE-QGZVFWFLSA-N 2 2 306.881 3.735 20 0 DHADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000551534828 341344488 /nfs/dbraw/zinc/34/44/88/341344488.db2.gz RGKGFGSFFXFRGC-RARDXLECSA-N 2 2 316.489 3.651 20 0 DHADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000551534828 341344489 /nfs/dbraw/zinc/34/44/89/341344489.db2.gz RGKGFGSFFXFRGC-RARDXLECSA-N 2 2 316.489 3.651 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000551787510 341351395 /nfs/dbraw/zinc/35/13/95/341351395.db2.gz HWEUYUHQXGJTNY-NVXWUHKLSA-N 2 2 302.462 3.753 20 0 DHADLP CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000551787510 341351396 /nfs/dbraw/zinc/35/13/96/341351396.db2.gz HWEUYUHQXGJTNY-NVXWUHKLSA-N 2 2 302.462 3.753 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246573919 341353859 /nfs/dbraw/zinc/35/38/59/341353859.db2.gz LMUNNRSSFXLGSG-TYILLQQXSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246573919 341353860 /nfs/dbraw/zinc/35/38/60/341353860.db2.gz LMUNNRSSFXLGSG-TYILLQQXSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246573919 341353861 /nfs/dbraw/zinc/35/38/61/341353861.db2.gz LMUNNRSSFXLGSG-TYILLQQXSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246573919 341353862 /nfs/dbraw/zinc/35/38/62/341353862.db2.gz LMUNNRSSFXLGSG-TYILLQQXSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(O)c1 ZINC000247069675 341360670 /nfs/dbraw/zinc/36/06/70/341360670.db2.gz QCMUIQYBABTWLG-TWOQFEAHSA-N 2 2 310.441 3.563 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(O)c1 ZINC000247069675 341360671 /nfs/dbraw/zinc/36/06/71/341360671.db2.gz QCMUIQYBABTWLG-TWOQFEAHSA-N 2 2 310.441 3.563 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)C[N@@H+]1C1CC1 ZINC000247156738 341361515 /nfs/dbraw/zinc/36/15/15/341361515.db2.gz RUBKAELNQQQZED-IFIJOSMWSA-N 2 2 318.436 3.643 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)C[N@H+]1C1CC1 ZINC000247156738 341361516 /nfs/dbraw/zinc/36/15/16/341361516.db2.gz RUBKAELNQQQZED-IFIJOSMWSA-N 2 2 318.436 3.643 20 0 DHADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@H]1C(C)C ZINC000552062132 341366193 /nfs/dbraw/zinc/36/61/93/341366193.db2.gz NJNHZQOTWDZFFN-HKUYNNGSSA-N 2 2 301.478 3.593 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248554737 341379736 /nfs/dbraw/zinc/37/97/36/341379736.db2.gz KCAUGZCDEXCMJC-KGLIPLIRSA-N 2 2 310.844 3.958 20 0 DHADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248554737 341379737 /nfs/dbraw/zinc/37/97/37/341379737.db2.gz KCAUGZCDEXCMJC-KGLIPLIRSA-N 2 2 310.844 3.958 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2Cl)[C@@H](C)C1 ZINC000248901574 341389808 /nfs/dbraw/zinc/38/98/08/341389808.db2.gz VKJHBKRCBZUQFG-SUMWQHHRSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)ccc2Cl)[C@@H](C)C1 ZINC000248901574 341389809 /nfs/dbraw/zinc/38/98/09/341389809.db2.gz VKJHBKRCBZUQFG-SUMWQHHRSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)ccc2Cl)[C@@H](C)C1 ZINC000248901574 341389810 /nfs/dbraw/zinc/38/98/10/341389810.db2.gz VKJHBKRCBZUQFG-SUMWQHHRSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)ccc2Cl)[C@@H](C)C1 ZINC000248901574 341389811 /nfs/dbraw/zinc/38/98/11/341389811.db2.gz VKJHBKRCBZUQFG-SUMWQHHRSA-N 2 2 310.869 3.511 20 0 DHADLP C[C@@H](CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000248996249 341391556 /nfs/dbraw/zinc/39/15/56/341391556.db2.gz OZDWEOVMAPOJGS-ROUUACIJSA-N 2 2 311.473 3.868 20 0 DHADLP C[C@@H](CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000248996249 341391557 /nfs/dbraw/zinc/39/15/57/341391557.db2.gz OZDWEOVMAPOJGS-ROUUACIJSA-N 2 2 311.473 3.868 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)CCSC1 ZINC000554892849 341468792 /nfs/dbraw/zinc/46/87/92/341468792.db2.gz TVOKLEDUTJJJFG-SJORKVTESA-N 2 2 324.921 3.744 20 0 DHADLP Cc1nc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000268735162 341603135 /nfs/dbraw/zinc/60/31/35/341603135.db2.gz BNQMPCYLBLIYAW-CYBMUJFWSA-N 2 2 312.442 3.531 20 0 DHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000294873382 341713176 /nfs/dbraw/zinc/71/31/76/341713176.db2.gz WUSGGNAMZOJGKC-RBUKOAKNSA-N 2 2 316.489 3.761 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000294873378 341713264 /nfs/dbraw/zinc/71/32/64/341713264.db2.gz WUSGGNAMZOJGKC-MOPGFXCFSA-N 2 2 316.489 3.761 20 0 DHADLP Cc1ccc2[nH+]ccc(NCc3cccc(-c4[nH]cc[nH+]4)c3)c2c1 ZINC000576974141 341872873 /nfs/dbraw/zinc/87/28/73/341872873.db2.gz FTWVITYMTKIYKW-UHFFFAOYSA-N 2 2 314.392 3.967 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000580639829 341890513 /nfs/dbraw/zinc/89/05/13/341890513.db2.gz OMBYVAOQXVTNDT-QYZOEREBSA-N 2 2 309.457 3.706 20 0 DHADLP CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000267971796 519081653 /nfs/dbraw/zinc/08/16/53/519081653.db2.gz CAOSJKFWOFERIU-GFCCVEGCSA-N 2 2 304.463 3.543 20 0 DHADLP CC(C)(C)c1csc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000267971796 519081659 /nfs/dbraw/zinc/08/16/59/519081659.db2.gz CAOSJKFWOFERIU-GFCCVEGCSA-N 2 2 304.463 3.543 20 0 DHADLP CCCOc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c(C)c1 ZINC000188793033 520368592 /nfs/dbraw/zinc/36/85/92/520368592.db2.gz RTZQQCOWQNXMSA-UHFFFAOYSA-N 2 2 313.445 3.535 20 0 DHADLP CCCCc1nc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000129647631 521301637 /nfs/dbraw/zinc/30/16/37/521301637.db2.gz XFWDETGXDDSFPS-GOEBONIOSA-N 2 2 318.490 3.765 20 0 DHADLP CCCCc1nc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000129647631 521301649 /nfs/dbraw/zinc/30/16/49/521301649.db2.gz XFWDETGXDDSFPS-GOEBONIOSA-N 2 2 318.490 3.765 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+]CCCn3cc[nH+]c3)oc21 ZINC000181389467 521437838 /nfs/dbraw/zinc/43/78/38/521437838.db2.gz DYUOEYHRPLYCIM-AWEZNQCLSA-N 2 2 313.401 3.769 20 0 DHADLP CCC(CC)(C[NH2+]CC1=CCCOC1)[NH2+][C@@H](C)c1ccccc1 ZINC000127455096 521443556 /nfs/dbraw/zinc/44/35/56/521443556.db2.gz CRYXFLTXXRIMSS-KRWDZBQOSA-N 2 2 316.489 3.832 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccc(C)cc3)no2)CC1 ZINC000157458637 521565422 /nfs/dbraw/zinc/56/54/22/521565422.db2.gz NFFPZWIVHHDOQS-UHFFFAOYSA-N 2 2 313.445 3.566 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccc(C)cc3)no2)CC1 ZINC000157458637 521565428 /nfs/dbraw/zinc/56/54/28/521565428.db2.gz NFFPZWIVHHDOQS-UHFFFAOYSA-N 2 2 313.445 3.566 20 0 DHADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1cc(F)cc(Br)c1 ZINC000361330870 522890257 /nfs/dbraw/zinc/89/02/57/522890257.db2.gz KWIVSAUJVKPAGP-CYBMUJFWSA-N 2 2 312.186 3.552 20 0 DHADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337345221 523175477 /nfs/dbraw/zinc/17/54/77/523175477.db2.gz UTHPUCOSTYFFRT-YZGWKJHDSA-N 2 2 315.505 3.962 20 0 DHADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337345221 523175488 /nfs/dbraw/zinc/17/54/88/523175488.db2.gz UTHPUCOSTYFFRT-YZGWKJHDSA-N 2 2 315.505 3.962 20 0 DHADLP CC[C@](C)([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1nc(C)cs1 ZINC000157133816 523487130 /nfs/dbraw/zinc/48/71/30/523487130.db2.gz LLPPWPFUJUSBFE-KRWDZBQOSA-N 2 2 314.458 3.823 20 0 DHADLP C[N@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000364861068 523622948 /nfs/dbraw/zinc/62/29/48/523622948.db2.gz PACUWLTVCNAWFF-LJQANCHMSA-N 2 2 315.505 3.599 20 0 DHADLP C[N@@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000364861068 523622953 /nfs/dbraw/zinc/62/29/53/523622953.db2.gz PACUWLTVCNAWFF-LJQANCHMSA-N 2 2 315.505 3.599 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156562316 524295565 /nfs/dbraw/zinc/29/55/65/524295565.db2.gz SPPZCEGHQMFFDB-BBRMVZONSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156562316 524295574 /nfs/dbraw/zinc/29/55/74/524295574.db2.gz SPPZCEGHQMFFDB-BBRMVZONSA-N 2 2 323.362 3.985 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)[NH+]1CCC(C)CC1 ZINC000337344845 524497032 /nfs/dbraw/zinc/49/70/32/524497032.db2.gz UNCAZVMBOVLCAS-QWFCFKBJSA-N 2 2 315.505 3.818 20 0 DHADLP C[C@@H](CC[NH2+][C@@H](C)c1cncs1)[N@H+](C)Cc1ccccc1 ZINC000156205696 524500873 /nfs/dbraw/zinc/50/08/73/524500873.db2.gz FSNLRYSMRPRYNG-GJZGRUSLSA-N 2 2 303.475 3.704 20 0 DHADLP C[C@@H](CC[NH2+][C@@H](C)c1cncs1)[N@@H+](C)Cc1ccccc1 ZINC000156205696 524500878 /nfs/dbraw/zinc/50/08/78/524500878.db2.gz FSNLRYSMRPRYNG-GJZGRUSLSA-N 2 2 303.475 3.704 20 0 DHADLP C[C@H](CSC(C)(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000156241904 524612540 /nfs/dbraw/zinc/61/25/40/524612540.db2.gz QGQFWQSHLJWGQX-CQSZACIVSA-N 2 2 307.507 3.560 20 0 DHADLP Cc1ccc(C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)cc1 ZINC000152838702 524686140 /nfs/dbraw/zinc/68/61/40/524686140.db2.gz OTNYOLPSSBKJNP-FQEVSTJZSA-N 2 2 323.484 3.681 20 0 DHADLP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000364962158 524737153 /nfs/dbraw/zinc/73/71/53/524737153.db2.gz KVPZMBDHZQFFFQ-KKXNLOMOSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@@H](C[NH2+]C1CCC2(CCCO2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000364962158 524737165 /nfs/dbraw/zinc/73/71/65/524737165.db2.gz KVPZMBDHZQFFFQ-KKXNLOMOSA-N 2 2 316.489 3.588 20 0 DHADLP Cc1cc(N2CCC([NH2+]C(C)C)CC2)c2cccc(F)c2[nH+]1 ZINC000124239194 525055971 /nfs/dbraw/zinc/05/59/71/525055971.db2.gz YHTFIQNRVLFVFX-UHFFFAOYSA-N 2 2 301.409 3.649 20 0 DHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccccn2)CC1 ZINC000158679748 525138081 /nfs/dbraw/zinc/13/80/81/525138081.db2.gz PRZBKIDAOYNDGG-QGZVFWFLSA-N 2 2 309.457 3.705 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)CCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000265837834 525246851 /nfs/dbraw/zinc/24/68/51/525246851.db2.gz MPYJDZSSUJEUBN-ZBFHGGJFSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)CCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000265837834 525246864 /nfs/dbraw/zinc/24/68/64/525246864.db2.gz MPYJDZSSUJEUBN-ZBFHGGJFSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)CCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000265837834 525246868 /nfs/dbraw/zinc/24/68/68/525246868.db2.gz MPYJDZSSUJEUBN-ZBFHGGJFSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)CCC(F)(F)F)CC[NH+]1Cc1ccccc1 ZINC000265837834 525246877 /nfs/dbraw/zinc/24/68/77/525246877.db2.gz MPYJDZSSUJEUBN-ZBFHGGJFSA-N 2 2 314.395 3.924 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C(c2cccs2)c2cccs2)CC[N@@H+]1C ZINC000128105805 525437223 /nfs/dbraw/zinc/43/72/23/525437223.db2.gz WNSBZMUAGTUHSP-CHWSQXEVSA-N 2 2 306.500 3.971 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C(c2cccs2)c2cccs2)CC[N@H+]1C ZINC000128105805 525437231 /nfs/dbraw/zinc/43/72/31/525437231.db2.gz WNSBZMUAGTUHSP-CHWSQXEVSA-N 2 2 306.500 3.971 20 0 DHADLP C[C@@H]([NH2+]CCOCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156963949 525453940 /nfs/dbraw/zinc/45/39/40/525453940.db2.gz FTOYECCRTIRSJJ-QGZVFWFLSA-N 2 2 321.424 3.740 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(SCC(F)F)cc1 ZINC000154519333 525500910 /nfs/dbraw/zinc/50/09/10/525500910.db2.gz OHVKKNPOMKCRJA-TZMCWYRMSA-N 2 2 314.445 3.789 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(SCC(F)F)cc1 ZINC000154519333 525500923 /nfs/dbraw/zinc/50/09/23/525500923.db2.gz OHVKKNPOMKCRJA-TZMCWYRMSA-N 2 2 314.445 3.789 20 0 DHADLP C[C@H](c1cc(F)ccc1F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106162945 526038143 /nfs/dbraw/zinc/03/81/43/526038143.db2.gz QYIWPXRTUNMEAW-CYBMUJFWSA-N 2 2 319.399 3.714 20 0 DHADLP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000364164988 526210063 /nfs/dbraw/zinc/21/00/63/526210063.db2.gz BMQNEQXJEVPOJA-OAHLLOKOSA-N 2 2 315.486 3.767 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc(OC(C)(C)C)nc3)n2c1 ZINC000180884429 526258832 /nfs/dbraw/zinc/25/88/32/526258832.db2.gz DQCIBUKZLSYTOI-UHFFFAOYSA-N 2 2 324.428 3.505 20 0 DHADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000337997265 526283549 /nfs/dbraw/zinc/28/35/49/526283549.db2.gz QADLDIXTAOUVIS-OALUTQOASA-N 2 2 315.436 3.939 20 0 DHADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000337987954 526283842 /nfs/dbraw/zinc/28/38/42/526283842.db2.gz HQQMHXOIIOZCBW-LPHOPBHVSA-N 2 2 315.436 3.939 20 0 DHADLP Fc1cccc(Cl)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156340316 526391930 /nfs/dbraw/zinc/39/19/30/526391930.db2.gz PEZVFUJKXSZJBN-CYBMUJFWSA-N 2 2 306.768 3.527 20 0 DHADLP Fc1cccc(Cl)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156340316 526391933 /nfs/dbraw/zinc/39/19/33/526391933.db2.gz PEZVFUJKXSZJBN-CYBMUJFWSA-N 2 2 306.768 3.527 20 0 DHADLP c1c(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)[nH+]c2ccccn12 ZINC000130417523 526397801 /nfs/dbraw/zinc/39/78/01/526397801.db2.gz OROWECLOCZLUID-ROUUACIJSA-N 2 2 305.425 3.803 20 0 DHADLP c1c(CC[NH2+][C@H]2CCSc3ccccc32)[nH+]c2ccccn12 ZINC000130582210 526397941 /nfs/dbraw/zinc/39/79/41/526397941.db2.gz RHQNENJDSRHVQJ-INIZCTEOSA-N 2 2 309.438 3.704 20 0 DHADLP c1cc2[nH+]ccc(NCc3ccc(N4CCCC4)[nH+]c3)c2s1 ZINC000266127695 526451625 /nfs/dbraw/zinc/45/16/25/526451625.db2.gz NWBPHIJAFOHBLI-UHFFFAOYSA-N 2 2 310.426 3.904 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3c3ccsc3)cn2)c[nH+]1 ZINC000267411912 526523198 /nfs/dbraw/zinc/52/31/98/526523198.db2.gz RUSXKPJCJBSGAH-INIZCTEOSA-N 2 2 310.426 3.666 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3c3ccsc3)cn2)c[nH+]1 ZINC000267411912 526523203 /nfs/dbraw/zinc/52/32/03/526523203.db2.gz RUSXKPJCJBSGAH-INIZCTEOSA-N 2 2 310.426 3.666 20 0 DHADLP c1cn(-c2ncccc2C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c[nH+]1 ZINC000130457856 526527007 /nfs/dbraw/zinc/52/70/07/526527007.db2.gz AMEGSOHRRYOODE-PKOBYXMFSA-N 2 2 318.424 3.693 20 0 DHADLP c1cn(C2CC[NH+](CCc3ccc4ccccc4c3)CC2)c[nH+]1 ZINC000265167546 526529109 /nfs/dbraw/zinc/52/91/09/526529109.db2.gz DDKIUTOHVKVSLT-UHFFFAOYSA-N 2 2 305.425 3.916 20 0 DHADLP c1cn(CCC[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000182621195 526531220 /nfs/dbraw/zinc/53/12/20/526531220.db2.gz SDXZUYPYWIHRPC-OAHLLOKOSA-N 2 2 312.442 3.720 20 0 DHADLP c1cn(CCC[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c[nH+]1 ZINC000182621195 526531224 /nfs/dbraw/zinc/53/12/24/526531224.db2.gz SDXZUYPYWIHRPC-OAHLLOKOSA-N 2 2 312.442 3.720 20 0 DHADLP c1cn2c(cccc2C[N@@H+]2CCS[C@@H](c3ccccc3)C2)[nH+]1 ZINC000364899940 526537910 /nfs/dbraw/zinc/53/79/10/526537910.db2.gz FOOIYNQUFANFOG-QGZVFWFLSA-N 2 2 309.438 3.624 20 0 DHADLP c1cn2c(cccc2C[N@H+]2CCS[C@@H](c3ccccc3)C2)[nH+]1 ZINC000364899940 526537914 /nfs/dbraw/zinc/53/79/14/526537914.db2.gz FOOIYNQUFANFOG-QGZVFWFLSA-N 2 2 309.438 3.624 20 0 DHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@H]3CCC[N@@H+]3C)cs2)cs1 ZINC000154574020 526563007 /nfs/dbraw/zinc/56/30/07/526563007.db2.gz XXISKBBETLMOMO-BXUZGUMPSA-N 2 2 321.515 3.925 20 0 DHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@H]3CCC[N@H+]3C)cs2)cs1 ZINC000154574020 526563012 /nfs/dbraw/zinc/56/30/12/526563012.db2.gz XXISKBBETLMOMO-BXUZGUMPSA-N 2 2 321.515 3.925 20 0 DHADLP c1csc(-c2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)no2)c1 ZINC000267458943 526570640 /nfs/dbraw/zinc/57/06/40/526570640.db2.gz ULSLMNGNHNGGTG-GFCCVEGCSA-N 2 2 314.414 3.506 20 0 DHADLP c1csc(-c2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)no2)c1 ZINC000267458943 526570646 /nfs/dbraw/zinc/57/06/46/526570646.db2.gz ULSLMNGNHNGGTG-GFCCVEGCSA-N 2 2 314.414 3.506 20 0 DHADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000338918269 526667365 /nfs/dbraw/zinc/66/73/65/526667365.db2.gz FCCKXTLUBCIDMW-UHFFFAOYSA-N 2 2 315.505 3.964 20 0 DHADLP Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc3[nH+]ccn31)CCC2 ZINC000180231724 527107093 /nfs/dbraw/zinc/10/70/93/527107093.db2.gz QNRXZVHQGWWCJS-HNNXBMFYSA-N 2 2 312.442 3.609 20 0 DHADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccc3[nH+]ccn31)CCC2 ZINC000180231724 527107097 /nfs/dbraw/zinc/10/70/97/527107097.db2.gz QNRXZVHQGWWCJS-HNNXBMFYSA-N 2 2 312.442 3.609 20 0 DHADLP Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc3[nH+]ccn31)CCC2 ZINC000180231705 527110554 /nfs/dbraw/zinc/11/05/54/527110554.db2.gz QNRXZVHQGWWCJS-OAHLLOKOSA-N 2 2 312.442 3.609 20 0 DHADLP Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccc3[nH+]ccn31)CCC2 ZINC000180231705 527110559 /nfs/dbraw/zinc/11/05/59/527110559.db2.gz QNRXZVHQGWWCJS-OAHLLOKOSA-N 2 2 312.442 3.609 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000155895244 527166981 /nfs/dbraw/zinc/16/69/81/527166981.db2.gz OLQDNEUJCQSGSV-ZDUSSCGKSA-N 2 2 312.392 3.620 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@H](C)CCC3CC3)[C@@H](C)C2)s1 ZINC000364225708 527259624 /nfs/dbraw/zinc/25/96/24/527259624.db2.gz HQVGAKNUOXJUTQ-IYOUNJFTSA-N 2 2 321.534 3.830 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@H](C)CCC3CC3)[C@@H](C)C2)s1 ZINC000364225708 527259631 /nfs/dbraw/zinc/25/96/31/527259631.db2.gz HQVGAKNUOXJUTQ-IYOUNJFTSA-N 2 2 321.534 3.830 20 0 DHADLP FC(F)(F)c1cc[nH+]c(N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000267407260 527688217 /nfs/dbraw/zinc/68/82/17/527688217.db2.gz QUTIWNFRPXVPRP-AWEZNQCLSA-N 2 2 313.367 3.555 20 0 DHADLP CC[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000328623641 529231102 /nfs/dbraw/zinc/23/11/02/529231102.db2.gz CAFIXMRESVDRQY-WNHJNPCNSA-N 2 2 301.478 3.633 20 0 DHADLP CC[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000328623641 529231104 /nfs/dbraw/zinc/23/11/04/529231104.db2.gz CAFIXMRESVDRQY-WNHJNPCNSA-N 2 2 301.478 3.633 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCC2(F)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000558424804 1013265720 /nfs/dbraw/zinc/26/57/20/1013265720.db2.gz DLNCNYTXQPOINV-WMZOPIPTSA-N 2 2 304.453 3.769 20 0 DHADLP C[C@H]1C[C@H]([NH2+]CCC2(F)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000558424804 1013265729 /nfs/dbraw/zinc/26/57/29/1013265729.db2.gz DLNCNYTXQPOINV-WMZOPIPTSA-N 2 2 304.453 3.769 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000894478924 1013382724 /nfs/dbraw/zinc/38/27/24/1013382724.db2.gz GIWBQFAWMHDUKJ-UHFFFAOYSA-N 2 2 318.465 3.643 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000894478924 1013382730 /nfs/dbraw/zinc/38/27/30/1013382730.db2.gz GIWBQFAWMHDUKJ-UHFFFAOYSA-N 2 2 318.465 3.643 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc3oc4ccccc4c3c1)C2 ZINC000894546982 1013414735 /nfs/dbraw/zinc/41/47/35/1013414735.db2.gz OBBHKEGOXIQMNJ-CQSZACIVSA-N 2 2 317.392 3.956 20 0 DHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319977006 1013501664 /nfs/dbraw/zinc/50/16/64/1013501664.db2.gz JHKVOCXMQYBGMN-XJKSGUPXSA-N 2 2 316.405 3.557 20 0 DHADLP CC(C)C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccs1 ZINC000655701964 1013654975 /nfs/dbraw/zinc/65/49/75/1013654975.db2.gz YCGNQPQZMZSBFU-DLBZAZTESA-N 2 2 322.518 3.678 20 0 DHADLP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655755652 1013692534 /nfs/dbraw/zinc/69/25/34/1013692534.db2.gz HGLLGDAAPJLTCV-ZIFCJYIRSA-N 2 2 322.537 3.824 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnn(C2CCCC2)c1 ZINC000655849464 1013775588 /nfs/dbraw/zinc/77/55/88/1013775588.db2.gz VHPHMNVGHZYUCO-ZYSHUDEJSA-N 2 2 316.493 3.666 20 0 DHADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(C2CCCC2)c1 ZINC000655849464 1013775593 /nfs/dbraw/zinc/77/55/93/1013775593.db2.gz VHPHMNVGHZYUCO-ZYSHUDEJSA-N 2 2 316.493 3.666 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnn(C2CCCC2)c1 ZINC000655849462 1013776000 /nfs/dbraw/zinc/77/60/00/1013776000.db2.gz VHPHMNVGHZYUCO-KFKAGJAMSA-N 2 2 316.493 3.666 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(C2CCCC2)c1 ZINC000655849462 1013776003 /nfs/dbraw/zinc/77/60/03/1013776003.db2.gz VHPHMNVGHZYUCO-KFKAGJAMSA-N 2 2 316.493 3.666 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000655850507 1013777158 /nfs/dbraw/zinc/77/71/58/1013777158.db2.gz WEZYOEJGRGWOSG-JQFCIGGWSA-N 2 2 306.425 3.502 20 0 DHADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000655850507 1013777159 /nfs/dbraw/zinc/77/71/59/1013777159.db2.gz WEZYOEJGRGWOSG-JQFCIGGWSA-N 2 2 306.425 3.502 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cccn2)cc1 ZINC000655848187 1013773237 /nfs/dbraw/zinc/77/32/37/1013773237.db2.gz GRHHPKQHFMGZQV-DBVUQKKJSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(-n2cccn2)cc1 ZINC000655848187 1013773246 /nfs/dbraw/zinc/77/32/46/1013773246.db2.gz GRHHPKQHFMGZQV-DBVUQKKJSA-N 2 2 324.472 3.540 20 0 DHADLP Cc1ccc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2n1 ZINC000655856715 1013786024 /nfs/dbraw/zinc/78/60/24/1013786024.db2.gz OHMRIMFAZSNSBO-WOJBJXKFSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1ccc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc2n1 ZINC000655856715 1013786030 /nfs/dbraw/zinc/78/60/30/1013786030.db2.gz OHMRIMFAZSNSBO-WOJBJXKFSA-N 2 2 309.457 3.650 20 0 DHADLP Cc1nc2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2s1 ZINC000655856739 1013788249 /nfs/dbraw/zinc/78/82/49/1013788249.db2.gz OYYSQNQCNXNQPH-WBVHZDCISA-N 2 2 315.486 3.711 20 0 DHADLP Cc1nc2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2s1 ZINC000655856739 1013788257 /nfs/dbraw/zinc/78/82/57/1013788257.db2.gz OYYSQNQCNXNQPH-WBVHZDCISA-N 2 2 315.486 3.711 20 0 DHADLP c1cn(-c2csc(C[NH2+]C[C@@H]3CCC4(CCCC4)O3)c2)c[nH+]1 ZINC000655862738 1013792202 /nfs/dbraw/zinc/79/22/02/1013792202.db2.gz DMYBSKSDIGERPZ-HNNXBMFYSA-N 2 2 317.458 3.515 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000070149835 1013798147 /nfs/dbraw/zinc/79/81/47/1013798147.db2.gz KMKDKUMLZACAOI-MRXNPFEDSA-N 2 2 301.459 3.513 20 0 DHADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000070149835 1013798152 /nfs/dbraw/zinc/79/81/52/1013798152.db2.gz KMKDKUMLZACAOI-MRXNPFEDSA-N 2 2 301.459 3.513 20 0 DHADLP COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188763491 1013893799 /nfs/dbraw/zinc/89/37/99/1013893799.db2.gz KPXXOMZUIDNLEC-GJZGRUSLSA-N 2 2 322.412 3.688 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cccc(OCC3CCCCC3)c2)CC[NH2+]1 ZINC001210519849 1013908308 /nfs/dbraw/zinc/90/83/08/1013908308.db2.gz TZOFXGPWTSRWLB-KRWDZBQOSA-N 2 2 316.489 3.830 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cccc(OCC3CCCCC3)c2)CC[NH2+]1 ZINC001210519849 1013908318 /nfs/dbraw/zinc/90/83/18/1013908318.db2.gz TZOFXGPWTSRWLB-KRWDZBQOSA-N 2 2 316.489 3.830 20 0 DHADLP C[C@@H](CC[NH2+][C@@H](C)c1ccncc1F)[N@H+](C)Cc1ccccc1 ZINC000340525244 1013917046 /nfs/dbraw/zinc/91/70/46/1013917046.db2.gz KLHPPWBDNGLRPN-HOTGVXAUSA-N 2 2 315.436 3.782 20 0 DHADLP C[C@@H](CC[NH2+][C@@H](C)c1ccncc1F)[N@@H+](C)Cc1ccccc1 ZINC000340525244 1013917048 /nfs/dbraw/zinc/91/70/48/1013917048.db2.gz KLHPPWBDNGLRPN-HOTGVXAUSA-N 2 2 315.436 3.782 20 0 DHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccc1Br ZINC000045094609 1032084624 /nfs/dbraw/zinc/08/46/24/1032084624.db2.gz DMPJVZQAUZMDMK-CYBMUJFWSA-N 2 2 322.250 3.777 20 0 DHADLP Fc1cc(Cl)ccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000189311974 1014168200 /nfs/dbraw/zinc/16/82/00/1014168200.db2.gz BWSSDRZJHTXNJM-UHFFFAOYSA-N 2 2 307.800 3.856 20 0 DHADLP CC1(c2ccccc2)CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000427852288 1014538136 /nfs/dbraw/zinc/53/81/36/1014538136.db2.gz FMMAQQQINFOSIY-FDYSRKEFSA-N 2 2 309.457 3.688 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC(C)(C)C)cc1 ZINC000427851704 1014538379 /nfs/dbraw/zinc/53/83/79/1014538379.db2.gz SLPGRNTYSMSJHF-GDBMZVCRSA-N 2 2 313.445 3.726 20 0 DHADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427881319 1014540906 /nfs/dbraw/zinc/54/09/06/1014540906.db2.gz ICTKRSCWIHILRC-NEPJUHHUSA-N 2 2 324.255 3.726 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)cc(Cl)c1 ZINC000427883529 1014547902 /nfs/dbraw/zinc/54/79/02/1014547902.db2.gz FETDJORFZVDVHC-HZMBPMFUSA-N 2 2 310.228 3.856 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000581098614 1014559269 /nfs/dbraw/zinc/55/92/69/1014559269.db2.gz HJCUEIGRBDOHDI-YIEVGGLXSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000581098614 1014559271 /nfs/dbraw/zinc/55/92/71/1014559271.db2.gz HJCUEIGRBDOHDI-YIEVGGLXSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000581098614 1014559275 /nfs/dbraw/zinc/55/92/75/1014559275.db2.gz HJCUEIGRBDOHDI-YIEVGGLXSA-N 2 2 308.416 3.642 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000581098614 1014559264 /nfs/dbraw/zinc/55/92/64/1014559264.db2.gz HJCUEIGRBDOHDI-YIEVGGLXSA-N 2 2 308.416 3.642 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccs1 ZINC000665253208 1014566501 /nfs/dbraw/zinc/56/65/01/1014566501.db2.gz KKVIKKPHXIYPLA-APHBMKBZSA-N 2 2 304.434 3.684 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccsc1 ZINC000665252609 1014567218 /nfs/dbraw/zinc/56/72/18/1014567218.db2.gz UMIBKYZSKQMVNB-FGTMMUONSA-N 2 2 300.471 3.935 20 0 DHADLP CC[NH+]1CCC([N@H+](C)C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000428215741 1014589938 /nfs/dbraw/zinc/58/99/38/1014589938.db2.gz CMTYKOJEVVWKEG-LJQANCHMSA-N 2 2 304.478 3.569 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000428215741 1014589960 /nfs/dbraw/zinc/58/99/60/1014589960.db2.gz CMTYKOJEVVWKEG-LJQANCHMSA-N 2 2 304.478 3.569 20 0 DHADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(CC(C)C)s1 ZINC000349383950 1014708946 /nfs/dbraw/zinc/70/89/46/1014708946.db2.gz NJKTVTPLJQRBNA-UHFFFAOYSA-N 2 2 309.523 3.649 20 0 DHADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(CC(C)C)s1 ZINC000349383950 1014708951 /nfs/dbraw/zinc/70/89/51/1014708951.db2.gz NJKTVTPLJQRBNA-UHFFFAOYSA-N 2 2 309.523 3.649 20 0 DHADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000665293993 1014729488 /nfs/dbraw/zinc/72/94/88/1014729488.db2.gz GMAMXNBXRCLEIK-CABCVRRESA-N 2 2 316.420 3.663 20 0 DHADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000665296790 1014747703 /nfs/dbraw/zinc/74/77/03/1014747703.db2.gz XTPDVYQBKSPQKS-QWRGUYRKSA-N 2 2 306.397 3.600 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[N@@H+]1C ZINC000090720736 1014762647 /nfs/dbraw/zinc/76/26/47/1014762647.db2.gz KXIPUESSAHIOJX-GWCFXTLKSA-N 2 2 318.795 3.514 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC[N@H+]1C ZINC000090720736 1014762664 /nfs/dbraw/zinc/76/26/64/1014762664.db2.gz KXIPUESSAHIOJX-GWCFXTLKSA-N 2 2 318.795 3.514 20 0 DHADLP CCc1noc(C)c1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000276168384 1014776463 /nfs/dbraw/zinc/77/64/63/1014776463.db2.gz FAOCTHFWQPVVDC-CYBMUJFWSA-N 2 2 310.401 3.582 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000443002580 1014788329 /nfs/dbraw/zinc/78/83/29/1014788329.db2.gz PHYWDPKBBCURNT-OAHLLOKOSA-N 2 2 300.368 3.588 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000443002580 1014788341 /nfs/dbraw/zinc/78/83/41/1014788341.db2.gz PHYWDPKBBCURNT-OAHLLOKOSA-N 2 2 300.368 3.588 20 0 DHADLP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000428268901 1014824702 /nfs/dbraw/zinc/82/47/02/1014824702.db2.gz GWTIPFPMJRIZCP-RYQLBKOJSA-N 2 2 301.478 3.667 20 0 DHADLP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000428268901 1014824710 /nfs/dbraw/zinc/82/47/10/1014824710.db2.gz GWTIPFPMJRIZCP-RYQLBKOJSA-N 2 2 301.478 3.667 20 0 DHADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1F ZINC000692314024 1014861933 /nfs/dbraw/zinc/86/19/33/1014861933.db2.gz MBYWHBNEAMCETC-VIFPVBQESA-N 2 2 302.180 3.680 20 0 DHADLP C[NH+](C)C1(C)CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000931356271 1032105219 /nfs/dbraw/zinc/10/52/19/1032105219.db2.gz UQOCKEIHGKTNCT-UHFFFAOYSA-N 2 2 316.367 3.501 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cncnc1 ZINC001168016982 1014917005 /nfs/dbraw/zinc/91/70/05/1014917005.db2.gz WPCHZGCBAXHLBB-CLWJZODNSA-N 2 2 324.472 3.569 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cncnc1 ZINC001168016982 1014917013 /nfs/dbraw/zinc/91/70/13/1014917013.db2.gz WPCHZGCBAXHLBB-CLWJZODNSA-N 2 2 324.472 3.569 20 0 DHADLP CCc1cnc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000349424065 1014921853 /nfs/dbraw/zinc/92/18/53/1014921853.db2.gz YHIRBFKNAJPJCV-UHFFFAOYSA-N 2 2 318.490 3.594 20 0 DHADLP C[C@@H]1CCC[C@@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000114851171 1015297165 /nfs/dbraw/zinc/29/71/65/1015297165.db2.gz IMGMQCRLENMSJC-SJORKVTESA-N 2 2 301.478 3.856 20 0 DHADLP CCC1([NH+]2CCC2)CC[NH+](C/C=C/c2ccccc2OC)CC1 ZINC000895828710 1015324888 /nfs/dbraw/zinc/32/48/88/1015324888.db2.gz XTITTYGEROHIAY-RMKNXTFCSA-N 2 2 314.473 3.659 20 0 DHADLP CC(C)[N@H+](Cc1coc2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC001141858271 1015362998 /nfs/dbraw/zinc/36/29/98/1015362998.db2.gz GKCWBVYKJRCQCR-UHFFFAOYSA-N 2 2 304.409 3.877 20 0 DHADLP CC(C)[N@@H+](Cc1coc2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC001141858271 1015363010 /nfs/dbraw/zinc/36/30/10/1015363010.db2.gz GKCWBVYKJRCQCR-UHFFFAOYSA-N 2 2 304.409 3.877 20 0 DHADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Br)cc1 ZINC000399068454 1015463700 /nfs/dbraw/zinc/46/37/00/1015463700.db2.gz NCUBITKSGKGTLN-DFBGVHRSSA-N 2 2 311.267 3.630 20 0 DHADLP COc1ccccc1/C=C/C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896198868 1015497869 /nfs/dbraw/zinc/49/78/69/1015497869.db2.gz WIMLQLMHKOVJSB-SOFGYWHQSA-N 2 2 323.440 3.680 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)[nH]1 ZINC000276733775 1015578691 /nfs/dbraw/zinc/57/86/91/1015578691.db2.gz HQUZJWNLXHIPNT-KRWDZBQOSA-N 2 2 311.429 3.578 20 0 DHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)[nH]1 ZINC000276733775 1015578699 /nfs/dbraw/zinc/57/86/99/1015578699.db2.gz HQUZJWNLXHIPNT-KRWDZBQOSA-N 2 2 311.429 3.578 20 0 DHADLP CCC1([NH+](C)C)CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000639378662 1015680402 /nfs/dbraw/zinc/68/04/02/1015680402.db2.gz QYPMWYPAUPZSJU-UHFFFAOYSA-N 2 2 303.475 3.603 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474927942 1015708304 /nfs/dbraw/zinc/70/83/04/1015708304.db2.gz SCZICKOAEKGPGQ-ZDEQEGDKSA-N 2 2 321.877 3.695 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]CCc1ccc(Cl)cc1)c1cccnc1 ZINC000896723748 1015715069 /nfs/dbraw/zinc/71/50/69/1015715069.db2.gz UBFFVNWDNSYGST-SFHVURJKSA-N 2 2 317.864 3.560 20 0 DHADLP c1ccc(NCCCC[NH2+][C@H](c2cccnc2)C2CCC2)[nH+]c1 ZINC000280885918 1015804838 /nfs/dbraw/zinc/80/48/38/1015804838.db2.gz OQEFIRRYAWOVDI-IBGZPJMESA-N 2 2 310.445 3.800 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@H](C)CC(C)(C)C3)sc2C1 ZINC000346336074 1015832595 /nfs/dbraw/zinc/83/25/95/1015832595.db2.gz PMYIJXJKWFKJJF-CQSZACIVSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H](C)CC(C)(C)C3)sc2C1 ZINC000346336074 1015832604 /nfs/dbraw/zinc/83/26/04/1015832604.db2.gz PMYIJXJKWFKJJF-CQSZACIVSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@H](C)CC(C)(C)C3)sc2C1 ZINC000346336074 1015832612 /nfs/dbraw/zinc/83/26/12/1015832612.db2.gz PMYIJXJKWFKJJF-CQSZACIVSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@H](C)CC(C)(C)C3)sc2C1 ZINC000346336074 1015832616 /nfs/dbraw/zinc/83/26/16/1015832616.db2.gz PMYIJXJKWFKJJF-CQSZACIVSA-N 2 2 321.534 3.778 20 0 DHADLP c1csc(C[N@@H+](CCn2cc[nH+]c2)C2Cc3ccccc3C2)c1 ZINC000342040024 1015876598 /nfs/dbraw/zinc/87/65/98/1015876598.db2.gz AUQQTWNCRYWIIK-UHFFFAOYSA-N 2 2 323.465 3.614 20 0 DHADLP c1csc(C[N@H+](CCn2cc[nH+]c2)C2Cc3ccccc3C2)c1 ZINC000342040024 1015876601 /nfs/dbraw/zinc/87/66/01/1015876601.db2.gz AUQQTWNCRYWIIK-UHFFFAOYSA-N 2 2 323.465 3.614 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ccc(OC(C)C)cc1)C2 ZINC000151020010 1016011334 /nfs/dbraw/zinc/01/13/34/1016011334.db2.gz DGEWJXBQHXBSSY-DOTOQJQBSA-N 2 2 313.445 3.644 20 0 DHADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151304072 1016032792 /nfs/dbraw/zinc/03/27/92/1016032792.db2.gz WVTLICJORITXLN-HXUWFJFHSA-N 2 2 321.399 3.848 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657290471 1016209275 /nfs/dbraw/zinc/20/92/75/1016209275.db2.gz QUUKQJZLTBCUMJ-KRWDZBQOSA-N 2 2 315.486 3.692 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657290471 1016209283 /nfs/dbraw/zinc/20/92/83/1016209283.db2.gz QUUKQJZLTBCUMJ-KRWDZBQOSA-N 2 2 315.486 3.692 20 0 DHADLP Cc1cccc2[nH]c(C[NH2+]CCCCNc3cccc[nH+]3)cc21 ZINC000657344897 1016388292 /nfs/dbraw/zinc/38/82/92/1016388292.db2.gz HCWYONLEKULMTA-UHFFFAOYSA-N 2 2 308.429 3.853 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000444013359 1016577567 /nfs/dbraw/zinc/57/75/67/1016577567.db2.gz FELXEFCKKCTUMZ-UONOGXRCSA-N 2 2 306.416 3.819 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000444013359 1016577580 /nfs/dbraw/zinc/57/75/80/1016577580.db2.gz FELXEFCKKCTUMZ-UONOGXRCSA-N 2 2 306.416 3.819 20 0 DHADLP CC[C@H](C)C[N@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001167562292 1016577994 /nfs/dbraw/zinc/57/79/94/1016577994.db2.gz JGKKIMVAOXJQBG-ICSRJNTNSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@H](C)C[N@@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001167562292 1016578003 /nfs/dbraw/zinc/57/80/03/1016578003.db2.gz JGKKIMVAOXJQBG-ICSRJNTNSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@H](C)C[NH+](CC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001167562292 1016578014 /nfs/dbraw/zinc/57/80/14/1016578014.db2.gz JGKKIMVAOXJQBG-ICSRJNTNSA-N 2 2 318.505 3.646 20 0 DHADLP CC[C@H](C)C[NH+](CC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001167562292 1016578022 /nfs/dbraw/zinc/57/80/22/1016578022.db2.gz JGKKIMVAOXJQBG-ICSRJNTNSA-N 2 2 318.505 3.646 20 0 DHADLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000444013360 1016578718 /nfs/dbraw/zinc/57/87/18/1016578718.db2.gz FELXEFCKKCTUMZ-ZIAGYGMSSA-N 2 2 306.416 3.819 20 0 DHADLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000444013360 1016578732 /nfs/dbraw/zinc/57/87/32/1016578732.db2.gz FELXEFCKKCTUMZ-ZIAGYGMSSA-N 2 2 306.416 3.819 20 0 DHADLP FC(F)C1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000281608613 1016628538 /nfs/dbraw/zinc/62/85/38/1016628538.db2.gz AYURWVONTLQZEL-UHFFFAOYSA-N 2 2 305.372 3.786 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346972401 1016665501 /nfs/dbraw/zinc/66/55/01/1016665501.db2.gz HUHCKIIQUHKFRF-HXUWFJFHSA-N 2 2 318.424 3.913 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346972401 1016665506 /nfs/dbraw/zinc/66/55/06/1016665506.db2.gz HUHCKIIQUHKFRF-HXUWFJFHSA-N 2 2 318.424 3.913 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3c3cccnc3)cc2)c[nH+]1 ZINC000347011646 1016685013 /nfs/dbraw/zinc/68/50/13/1016685013.db2.gz RPLXSRVBRWQSCO-LJQANCHMSA-N 2 2 304.397 3.604 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3c3cccnc3)cc2)c[nH+]1 ZINC000347011646 1016685027 /nfs/dbraw/zinc/68/50/27/1016685027.db2.gz RPLXSRVBRWQSCO-LJQANCHMSA-N 2 2 304.397 3.604 20 0 DHADLP FC(F)(F)C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000337608053 1016757872 /nfs/dbraw/zinc/75/78/72/1016757872.db2.gz WEFARXIONLWMQX-PMPSAXMXSA-N 2 2 312.379 3.897 20 0 DHADLP FC(F)(F)C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000337608053 1016757880 /nfs/dbraw/zinc/75/78/80/1016757880.db2.gz WEFARXIONLWMQX-PMPSAXMXSA-N 2 2 312.379 3.897 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(Cl)ccc1O ZINC000185325363 1016860053 /nfs/dbraw/zinc/86/00/53/1016860053.db2.gz PKRYLNGNUSEGMA-CYBMUJFWSA-N 2 2 319.836 3.984 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)[nH]1 ZINC000342637095 1016900783 /nfs/dbraw/zinc/90/07/83/1016900783.db2.gz PRLPSYJUVBIFJA-OAHLLOKOSA-N 2 2 324.453 3.913 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)[nH]1 ZINC000342637095 1016900792 /nfs/dbraw/zinc/90/07/92/1016900792.db2.gz PRLPSYJUVBIFJA-OAHLLOKOSA-N 2 2 324.453 3.913 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCC(F)(F)CC1 ZINC000475194204 1017066032 /nfs/dbraw/zinc/06/60/32/1017066032.db2.gz KWIGUVYERUSFNE-XJKSGUPXSA-N 2 2 300.437 3.807 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCC(F)(F)CC1 ZINC000475194204 1017066041 /nfs/dbraw/zinc/06/60/41/1017066041.db2.gz KWIGUVYERUSFNE-XJKSGUPXSA-N 2 2 300.437 3.807 20 0 DHADLP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000361912634 1032153879 /nfs/dbraw/zinc/15/38/79/1032153879.db2.gz BVTKDDNIGWWYHI-CVEARBPZSA-N 2 2 319.474 3.616 20 0 DHADLP c1ccc2[nH+]c(NCc3ccccc3C[NH+]3CCCC3)[nH]c2c1 ZINC000179280173 1017231782 /nfs/dbraw/zinc/23/17/82/1017231782.db2.gz HHRLTDZGZJQAEI-UHFFFAOYSA-N 2 2 306.413 3.771 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000796671248 1032219686 /nfs/dbraw/zinc/21/96/86/1032219686.db2.gz HWZWNFWHMCMLFE-ZFWWWQNUSA-N 2 2 310.869 3.792 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000796671248 1032219694 /nfs/dbraw/zinc/21/96/94/1032219694.db2.gz HWZWNFWHMCMLFE-ZFWWWQNUSA-N 2 2 310.869 3.792 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000475198139 1017075880 /nfs/dbraw/zinc/07/58/80/1017075880.db2.gz WCBPHBSKQYMZIY-GJYPPUQNSA-N 2 2 316.489 3.794 20 0 DHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000475198139 1017075887 /nfs/dbraw/zinc/07/58/87/1017075887.db2.gz WCBPHBSKQYMZIY-GJYPPUQNSA-N 2 2 316.489 3.794 20 0 DHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CC=CCC1 ZINC000537618540 1032292485 /nfs/dbraw/zinc/29/24/85/1032292485.db2.gz BMYJREXBIZBPGK-SFHVURJKSA-N 2 2 313.489 3.976 20 0 DHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CC=CCC1 ZINC000537618540 1032292497 /nfs/dbraw/zinc/29/24/97/1032292497.db2.gz BMYJREXBIZBPGK-SFHVURJKSA-N 2 2 313.489 3.976 20 0 DHADLP C[C@@H]1CC([NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059698 1017084251 /nfs/dbraw/zinc/08/42/51/1017084251.db2.gz GLBCKCOFBCMNOO-BDXSIMOUSA-N 2 2 316.489 3.537 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1(C)C ZINC000623541217 1017098924 /nfs/dbraw/zinc/09/89/24/1017098924.db2.gz YNIHZJAPOBUFMU-WCQYABFASA-N 2 2 312.379 3.554 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1(C)C ZINC000623541217 1017098926 /nfs/dbraw/zinc/09/89/26/1017098926.db2.gz YNIHZJAPOBUFMU-WCQYABFASA-N 2 2 312.379 3.554 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cccnc2)cc1 ZINC000925144565 1017301396 /nfs/dbraw/zinc/30/13/96/1017301396.db2.gz UUVCQSHHENXWBT-DBVUQKKJSA-N 2 2 309.457 3.552 20 0 DHADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccnc2)cc1 ZINC000925144565 1017301405 /nfs/dbraw/zinc/30/14/05/1017301405.db2.gz UUVCQSHHENXWBT-DBVUQKKJSA-N 2 2 309.457 3.552 20 0 DHADLP c1cn(C2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)c[nH+]1 ZINC000092648493 1032505437 /nfs/dbraw/zinc/50/54/37/1032505437.db2.gz QPKAYOQNTPYRCU-UHFFFAOYSA-N 2 2 316.474 3.834 20 0 DHADLP COCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000093016546 1032520332 /nfs/dbraw/zinc/52/03/32/1032520332.db2.gz AUZCIKNNDUHJAU-QGZVFWFLSA-N 2 2 320.477 3.514 20 0 DHADLP COCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000093016546 1032520335 /nfs/dbraw/zinc/52/03/35/1032520335.db2.gz AUZCIKNNDUHJAU-QGZVFWFLSA-N 2 2 320.477 3.514 20 0 DHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1nc2c(s1)CCCC2 ZINC000093370206 1032532186 /nfs/dbraw/zinc/53/21/86/1032532186.db2.gz NKOYJNOFIIRDAC-GJZGRUSLSA-N 2 2 321.534 3.937 20 0 DHADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1nc2c(s1)CCCC2 ZINC000093370206 1032532191 /nfs/dbraw/zinc/53/21/91/1032532191.db2.gz NKOYJNOFIIRDAC-GJZGRUSLSA-N 2 2 321.534 3.937 20 0 DHADLP CC(C)c1ncc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000093563668 1032545048 /nfs/dbraw/zinc/54/50/48/1032545048.db2.gz JSLPTAOWIIEKLY-HNNXBMFYSA-N 2 2 307.507 3.717 20 0 DHADLP CC(C)c1ncc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000093563668 1032545056 /nfs/dbraw/zinc/54/50/56/1032545056.db2.gz JSLPTAOWIIEKLY-HNNXBMFYSA-N 2 2 307.507 3.717 20 0 DHADLP c1nc(C2CCC2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683833 1032550689 /nfs/dbraw/zinc/55/06/89/1032550689.db2.gz NQPIBCDAIQWYMT-HNNXBMFYSA-N 2 2 319.518 3.718 20 0 DHADLP c1nc(C2CCC2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683833 1032550695 /nfs/dbraw/zinc/55/06/95/1032550695.db2.gz NQPIBCDAIQWYMT-HNNXBMFYSA-N 2 2 319.518 3.718 20 0 DHADLP CC[NH+](CC)Cc1ccc(NCc2c[nH+]cn2C(C)C)cc1 ZINC000424185808 1011937033 /nfs/dbraw/zinc/93/70/33/1011937033.db2.gz GDIDYGRYOCCSTE-UHFFFAOYSA-N 2 2 300.450 3.918 20 0 DHADLP Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc[nH+]1 ZINC000010165187 1012020752 /nfs/dbraw/zinc/02/07/52/1012020752.db2.gz AQFUKYFPXBGFTR-UHFFFAOYSA-N 2 2 309.413 3.628 20 0 DHADLP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Cl)c1Cl ZINC001206771022 1012351329 /nfs/dbraw/zinc/35/13/29/1012351329.db2.gz VSCGRJXXWPXOEA-RYUDHWBXSA-N 2 2 301.261 3.861 20 0 DHADLP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Cl)c1Cl ZINC001206771022 1012351350 /nfs/dbraw/zinc/35/13/50/1012351350.db2.gz VSCGRJXXWPXOEA-RYUDHWBXSA-N 2 2 301.261 3.861 20 0 DHADLP CS[C@@H]1CC[C@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000425370330 1012504413 /nfs/dbraw/zinc/50/44/13/1012504413.db2.gz NWXBDFNNMDKVEC-IAGOWNOFSA-N 2 2 304.503 3.525 20 0 DHADLP CS[C@@H]1CC[C@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000425370330 1012504433 /nfs/dbraw/zinc/50/44/33/1012504433.db2.gz NWXBDFNNMDKVEC-IAGOWNOFSA-N 2 2 304.503 3.525 20 0 DHADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000037157152 1012853434 /nfs/dbraw/zinc/85/34/34/1012853434.db2.gz LKXZGLRTDHAPGW-DOMZBBRYSA-N 2 2 322.250 3.775 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)C[NH+](C)C ZINC000425945366 1012990981 /nfs/dbraw/zinc/99/09/81/1012990981.db2.gz QNZSEQKNPSCDPY-QMTHXVAHSA-N 2 2 301.261 3.768 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037320437 1013008397 /nfs/dbraw/zinc/00/83/97/1013008397.db2.gz AJMNYFAPLTXMKM-RYUDHWBXSA-N 2 2 306.479 3.685 20 0 DHADLP Fc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000537696320 1032676707 /nfs/dbraw/zinc/67/67/07/1032676707.db2.gz GYSSHABFSGTNKA-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000537696320 1032676712 /nfs/dbraw/zinc/67/67/12/1032676712.db2.gz GYSSHABFSGTNKA-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000537696320 1032676720 /nfs/dbraw/zinc/67/67/20/1032676720.db2.gz GYSSHABFSGTNKA-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000537696320 1032676727 /nfs/dbraw/zinc/67/67/27/1032676727.db2.gz GYSSHABFSGTNKA-KSSFIOAISA-N 2 2 322.855 3.928 20 0 DHADLP CO[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000178458599 1017175781 /nfs/dbraw/zinc/17/57/81/1017175781.db2.gz NIJAVLSPZRYYIJ-OXQOHEQNSA-N 2 2 321.424 3.911 20 0 DHADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000178414581 1017177118 /nfs/dbraw/zinc/17/71/18/1017177118.db2.gz KVLWUPNECRQZMM-HNNXBMFYSA-N 2 2 315.486 3.947 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000342759905 1017178899 /nfs/dbraw/zinc/17/88/99/1017178899.db2.gz YMKHGIVCMIBTQB-CJNGLKHVSA-N 2 2 301.821 3.930 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000342759905 1017178911 /nfs/dbraw/zinc/17/89/11/1017178911.db2.gz YMKHGIVCMIBTQB-CJNGLKHVSA-N 2 2 301.821 3.930 20 0 DHADLP Clc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000075758029 1017363490 /nfs/dbraw/zinc/36/34/90/1017363490.db2.gz PLLBSUSSOQMGRC-UHFFFAOYSA-N 2 2 311.816 3.875 20 0 DHADLP Clc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)o1 ZINC000075762767 1017363709 /nfs/dbraw/zinc/36/37/09/1017363709.db2.gz KNDKGQSXXXMISJ-UHFFFAOYSA-N 2 2 315.804 3.510 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564528 1017410613 /nfs/dbraw/zinc/41/06/13/1017410613.db2.gz WDNJOCBAOHGRPN-KVVHSQDJSA-N 2 2 316.489 3.699 20 0 DHADLP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564528 1017410625 /nfs/dbraw/zinc/41/06/25/1017410625.db2.gz WDNJOCBAOHGRPN-KVVHSQDJSA-N 2 2 316.489 3.699 20 0 DHADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857900866 1032706197 /nfs/dbraw/zinc/70/61/97/1032706197.db2.gz FLLGQULSWCKEMS-DZGCQCFKSA-N 2 2 307.869 3.576 20 0 DHADLP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857900866 1032706208 /nfs/dbraw/zinc/70/62/08/1032706208.db2.gz FLLGQULSWCKEMS-DZGCQCFKSA-N 2 2 307.869 3.576 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000153212982 1017541410 /nfs/dbraw/zinc/54/14/10/1017541410.db2.gz JSNYTHZAGFODIV-BBTUJRGHSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000153212982 1017541416 /nfs/dbraw/zinc/54/14/16/1017541416.db2.gz JSNYTHZAGFODIV-BBTUJRGHSA-N 2 2 323.484 3.951 20 0 DHADLP Cc1csc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000623895618 1017560798 /nfs/dbraw/zinc/56/07/98/1017560798.db2.gz WVGQJQCBPSFTJR-LBPRGKRZSA-N 2 2 307.438 3.503 20 0 DHADLP CC(C)COc1ccccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000130799190 1017608198 /nfs/dbraw/zinc/60/81/98/1017608198.db2.gz DWFSZQHALDQVLM-UHFFFAOYSA-N 2 2 316.489 3.685 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444706557 1017641638 /nfs/dbraw/zinc/64/16/38/1017641638.db2.gz NKJRBKGBIOCIAY-AWEZNQCLSA-N 2 2 323.362 3.955 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444706557 1017641641 /nfs/dbraw/zinc/64/16/41/1017641641.db2.gz NKJRBKGBIOCIAY-AWEZNQCLSA-N 2 2 323.362 3.955 20 0 DHADLP Clc1ccc2c(n1)[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2 ZINC000857906174 1032714354 /nfs/dbraw/zinc/71/43/54/1032714354.db2.gz BUMSNKUBQXGCDH-INIZCTEOSA-N 2 2 319.880 3.719 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624078081 1017672491 /nfs/dbraw/zinc/67/24/91/1017672491.db2.gz PJTMDQFGLOZPQQ-FXAWDEMLSA-N 2 2 315.505 3.789 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624078081 1017672527 /nfs/dbraw/zinc/67/25/27/1017672527.db2.gz PJTMDQFGLOZPQQ-FXAWDEMLSA-N 2 2 315.505 3.789 20 0 DHADLP CC(C)COc1cc(N2C(C)(C)CC([NH3+])CC2(C)C)cc[nH+]1 ZINC001167626891 1017738537 /nfs/dbraw/zinc/73/85/37/1017738537.db2.gz XDFUSNLXDSKJIX-UHFFFAOYSA-N 2 2 305.466 3.601 20 0 DHADLP Cc1ccc(F)c(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000523938132 1017830160 /nfs/dbraw/zinc/83/01/60/1017830160.db2.gz ZDLORXUHRIXPFP-UHFFFAOYSA-N 2 2 312.432 3.672 20 0 DHADLP Cc1ccc(F)c(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000523938132 1017830180 /nfs/dbraw/zinc/83/01/80/1017830180.db2.gz ZDLORXUHRIXPFP-UHFFFAOYSA-N 2 2 312.432 3.672 20 0 DHADLP C[C@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)Cc1ccccc1 ZINC000182052453 1017853335 /nfs/dbraw/zinc/85/33/35/1017853335.db2.gz NGOXRJWLCVMHSD-SFHVURJKSA-N 2 2 319.452 3.900 20 0 DHADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000624256368 1017948233 /nfs/dbraw/zinc/94/82/33/1017948233.db2.gz PHJWLBXRWPGZSY-SFHVURJKSA-N 2 2 316.489 3.633 20 0 DHADLP Fc1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445811517 1017979663 /nfs/dbraw/zinc/97/96/63/1017979663.db2.gz SAGXTKMXBDVAPT-UGSOOPFHSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445811517 1017979672 /nfs/dbraw/zinc/97/96/72/1017979672.db2.gz SAGXTKMXBDVAPT-UGSOOPFHSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000445811517 1017979680 /nfs/dbraw/zinc/97/96/80/1017979680.db2.gz SAGXTKMXBDVAPT-UGSOOPFHSA-N 2 2 322.855 3.928 20 0 DHADLP Fc1ccc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000445811517 1017979692 /nfs/dbraw/zinc/97/96/92/1017979692.db2.gz SAGXTKMXBDVAPT-UGSOOPFHSA-N 2 2 322.855 3.928 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000183032012 1017984077 /nfs/dbraw/zinc/98/40/77/1017984077.db2.gz DJRZFDWLJYZQPH-IOASZLSFSA-N 2 2 318.852 3.666 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000183032012 1017984090 /nfs/dbraw/zinc/98/40/90/1017984090.db2.gz DJRZFDWLJYZQPH-IOASZLSFSA-N 2 2 318.852 3.666 20 0 DHADLP c1cn(CCC[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c[nH+]1 ZINC000183166914 1018000264 /nfs/dbraw/zinc/00/02/64/1018000264.db2.gz GJJSOZWZPWSQCF-NRFANRHFSA-N 2 2 317.436 3.921 20 0 DHADLP c1cn(CCC[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c[nH+]1 ZINC000183166914 1018000278 /nfs/dbraw/zinc/00/02/78/1018000278.db2.gz GJJSOZWZPWSQCF-NRFANRHFSA-N 2 2 317.436 3.921 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(F)c1F ZINC000183255270 1018006156 /nfs/dbraw/zinc/00/61/56/1018006156.db2.gz AOPITCNLIIRWRV-CYBMUJFWSA-N 2 2 305.372 3.903 20 0 DHADLP CC(C)[NH+]1CCC([NH2+]C2(c3ccc(F)cc3F)CCC2)CC1 ZINC000183766984 1018043718 /nfs/dbraw/zinc/04/37/18/1018043718.db2.gz CAYHJIWQMGVPIJ-UHFFFAOYSA-N 2 2 308.416 3.806 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658093276 1018069110 /nfs/dbraw/zinc/06/91/10/1018069110.db2.gz UEMUIEADAOWOMN-INMHGKMJSA-N 2 2 304.478 3.650 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658093276 1018069118 /nfs/dbraw/zinc/06/91/18/1018069118.db2.gz UEMUIEADAOWOMN-INMHGKMJSA-N 2 2 304.478 3.650 20 0 DHADLP C[C@H]([NH2+]Cc1nc2ccccc2o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720039 1018126006 /nfs/dbraw/zinc/12/60/06/1018126006.db2.gz JVQPHCCMBNCXEM-LSDHHAIUSA-N 2 2 313.445 3.570 20 0 DHADLP C[C@H]([NH2+]Cc1nc2ccccc2o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720039 1018126015 /nfs/dbraw/zinc/12/60/15/1018126015.db2.gz JVQPHCCMBNCXEM-LSDHHAIUSA-N 2 2 313.445 3.570 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2COCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000417357456 1018168015 /nfs/dbraw/zinc/16/80/15/1018168015.db2.gz GLOSPSKBMTYSER-SESVDKBCSA-N 2 2 322.452 3.683 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@H]2COCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000417357456 1018168020 /nfs/dbraw/zinc/16/80/20/1018168020.db2.gz GLOSPSKBMTYSER-SESVDKBCSA-N 2 2 322.452 3.683 20 0 DHADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000525196237 1018198853 /nfs/dbraw/zinc/19/88/53/1018198853.db2.gz RHGAZHLGILENGA-GXFFZTMASA-N 2 2 317.260 3.574 20 0 DHADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000525196237 1018198863 /nfs/dbraw/zinc/19/88/63/1018198863.db2.gz RHGAZHLGILENGA-GXFFZTMASA-N 2 2 317.260 3.574 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1 ZINC000525195457 1018200308 /nfs/dbraw/zinc/20/03/08/1018200308.db2.gz AABYWSLVPSYYBN-GDBMZVCRSA-N 2 2 315.486 3.691 20 0 DHADLP Cc1ccc(-c2ncc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1 ZINC000525195457 1018200319 /nfs/dbraw/zinc/20/03/19/1018200319.db2.gz AABYWSLVPSYYBN-GDBMZVCRSA-N 2 2 315.486 3.691 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c[nH+]1 ZINC000343150709 1018275954 /nfs/dbraw/zinc/27/59/54/1018275954.db2.gz FDSOBZCBTDDGKL-NHCUHLMSSA-N 2 2 317.436 3.825 20 0 DHADLP Cc1nc(-c2cc([C@@H](C)[NH2+]CCn3cc[nH+]c3)cs2)cs1 ZINC000155689112 1018328371 /nfs/dbraw/zinc/32/83/71/1018328371.db2.gz KVGNFKJCRVUKAA-LLVKDONJSA-N 2 2 318.471 3.727 20 0 DHADLP CCO[C@@H](CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000155732052 1018336889 /nfs/dbraw/zinc/33/68/89/1018336889.db2.gz CZJXFBDPCAPQNI-LPHOPBHVSA-N 2 2 315.461 3.974 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC3CCCC3)CC2)cc1 ZINC000764745246 1018362915 /nfs/dbraw/zinc/36/29/15/1018362915.db2.gz KLDWTPCHCRSFSN-UHFFFAOYSA-N 2 2 315.505 3.891 20 0 DHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1Cl ZINC000447731879 1018465980 /nfs/dbraw/zinc/46/59/80/1018465980.db2.gz NWVZSKPMBNXKAQ-KRWDZBQOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1Cl ZINC000447731879 1018465988 /nfs/dbraw/zinc/46/59/88/1018465988.db2.gz NWVZSKPMBNXKAQ-KRWDZBQOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1Cl ZINC000447731879 1018465993 /nfs/dbraw/zinc/46/59/93/1018465993.db2.gz NWVZSKPMBNXKAQ-KRWDZBQOSA-N 2 2 306.881 3.812 20 0 DHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1Cl ZINC000447731879 1018465999 /nfs/dbraw/zinc/46/59/99/1018465999.db2.gz NWVZSKPMBNXKAQ-KRWDZBQOSA-N 2 2 306.881 3.812 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000447899098 1018499581 /nfs/dbraw/zinc/49/95/81/1018499581.db2.gz QJPOEFPPHGNJLH-MCIONIFRSA-N 2 2 306.416 3.818 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000447899098 1018499588 /nfs/dbraw/zinc/49/95/88/1018499588.db2.gz QJPOEFPPHGNJLH-MCIONIFRSA-N 2 2 306.416 3.818 20 0 DHADLP c1ccc2c(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)noc2c1 ZINC000583510490 1018520786 /nfs/dbraw/zinc/52/07/86/1018520786.db2.gz SWNQYLYCFLWESY-UHFFFAOYSA-N 2 2 313.445 3.715 20 0 DHADLP C[C@@H]1CCCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000583571959 1018569337 /nfs/dbraw/zinc/56/93/37/1018569337.db2.gz IELDMSYQSSNDLB-UYAOXDASSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@@H]1CCCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000583571959 1018569345 /nfs/dbraw/zinc/56/93/45/1018569345.db2.gz IELDMSYQSSNDLB-UYAOXDASSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@@H]1CCCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000583571959 1018569353 /nfs/dbraw/zinc/56/93/53/1018569353.db2.gz IELDMSYQSSNDLB-UYAOXDASSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@@H]1CCCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000583571959 1018569366 /nfs/dbraw/zinc/56/93/66/1018569366.db2.gz IELDMSYQSSNDLB-UYAOXDASSA-N 2 2 316.489 3.542 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC000675740324 1018569521 /nfs/dbraw/zinc/56/95/21/1018569521.db2.gz CKDBSJKFLGQCRT-FXAWDEMLSA-N 2 2 315.505 3.852 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC000675740324 1018569523 /nfs/dbraw/zinc/56/95/23/1018569523.db2.gz CKDBSJKFLGQCRT-FXAWDEMLSA-N 2 2 315.505 3.852 20 0 DHADLP CO[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CCCCC1 ZINC000657783382 1018630548 /nfs/dbraw/zinc/63/05/48/1018630548.db2.gz XEQPTQSHNBVSML-QGZVFWFLSA-N 2 2 319.474 3.619 20 0 DHADLP Cc1cccc2c1CC[C@@H]([NH2+][C@H](C)C[NH+]1CCC(C)CC1)C2 ZINC001171558029 1032777214 /nfs/dbraw/zinc/77/72/14/1032777214.db2.gz ZUXCUVJXOUMLMC-IEBWSBKVSA-N 2 2 300.490 3.562 20 0 DHADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cccc(Br)c1 ZINC000746048540 1032779221 /nfs/dbraw/zinc/77/92/21/1032779221.db2.gz BNGSDTOKRJPWMX-STQMWFEESA-N 2 2 311.267 3.584 20 0 DHADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cccc(Br)c1 ZINC000746048540 1032779241 /nfs/dbraw/zinc/77/92/41/1032779241.db2.gz BNGSDTOKRJPWMX-STQMWFEESA-N 2 2 311.267 3.584 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000765251305 1018728648 /nfs/dbraw/zinc/72/86/48/1018728648.db2.gz OMCRPZVMAQLBNU-DLBZAZTESA-N 2 2 301.409 3.714 20 0 DHADLP CCC1(CC)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1OC ZINC000765258849 1018732770 /nfs/dbraw/zinc/73/27/70/1018732770.db2.gz BURLQBAUGJCJLZ-QZTJIDSGSA-N 2 2 313.445 3.556 20 0 DHADLP CCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000785432273 1018779344 /nfs/dbraw/zinc/77/93/44/1018779344.db2.gz RSRCCXMBZVPSBJ-KRWDZBQOSA-N 2 2 319.424 3.625 20 0 DHADLP Clc1ccccc1[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000657818200 1018849826 /nfs/dbraw/zinc/84/98/26/1018849826.db2.gz ACKQGDJSFBFOJG-WBVHZDCISA-N 2 2 303.837 3.853 20 0 DHADLP CC[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000316053128 1018865051 /nfs/dbraw/zinc/86/50/51/1018865051.db2.gz OKBMYCOUGBRRSA-IAGOWNOFSA-N 2 2 301.478 3.999 20 0 DHADLP Cc1cccc(C[NH+]2CCC([NH2+][C@@H](C)c3ccccn3)CC2)c1 ZINC000158662364 1018886569 /nfs/dbraw/zinc/88/65/69/1018886569.db2.gz DIPBHUPIIIUHJT-KRWDZBQOSA-N 2 2 309.457 3.705 20 0 DHADLP C[C@@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCOc2ccccc21 ZINC000923027126 1018991345 /nfs/dbraw/zinc/99/13/45/1018991345.db2.gz ZDEYACIOXDDUMC-HXUWFJFHSA-N 2 2 319.408 3.660 20 0 DHADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584232562 1019037097 /nfs/dbraw/zinc/03/70/97/1019037097.db2.gz ZJNVRNYOQCICEJ-CJNGLKHVSA-N 2 2 323.278 3.586 20 0 DHADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584232562 1019037111 /nfs/dbraw/zinc/03/71/11/1019037111.db2.gz ZJNVRNYOQCICEJ-CJNGLKHVSA-N 2 2 323.278 3.586 20 0 DHADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(F)c(F)c2F)CC1(C)C ZINC001171619101 1032803788 /nfs/dbraw/zinc/80/37/88/1032803788.db2.gz HWGDPVFDGAZHRJ-UHFFFAOYSA-N 2 2 314.395 3.845 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(C(F)(F)F)c2)[C@H](C)C1 ZINC000628183277 1019064294 /nfs/dbraw/zinc/06/42/94/1019064294.db2.gz VUESPBWOXMEMTF-YPMHNXCESA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(C(F)(F)F)c2)[C@H](C)C1 ZINC000628183277 1019064307 /nfs/dbraw/zinc/06/43/07/1019064307.db2.gz VUESPBWOXMEMTF-YPMHNXCESA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(C(F)(F)F)c2)[C@H](C)C1 ZINC000628183277 1019064317 /nfs/dbraw/zinc/06/43/17/1019064317.db2.gz VUESPBWOXMEMTF-YPMHNXCESA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(C(F)(F)F)c2)[C@H](C)C1 ZINC000628183277 1019064331 /nfs/dbraw/zinc/06/43/31/1019064331.db2.gz VUESPBWOXMEMTF-YPMHNXCESA-N 2 2 320.424 3.929 20 0 DHADLP Clc1ccc(CCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959844 1019133817 /nfs/dbraw/zinc/13/38/17/1019133817.db2.gz AIIFTVWBMHOVIE-OAHLLOKOSA-N 2 2 303.837 3.875 20 0 DHADLP Clc1ccc(CCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080959844 1019133826 /nfs/dbraw/zinc/13/38/26/1019133826.db2.gz AIIFTVWBMHOVIE-OAHLLOKOSA-N 2 2 303.837 3.875 20 0 DHADLP Cc1ccc(SCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000080958651 1019134451 /nfs/dbraw/zinc/13/44/51/1019134451.db2.gz KRMMFSHPGQACCG-INIZCTEOSA-N 2 2 315.486 3.998 20 0 DHADLP Cc1ccc(SCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000080958651 1019134456 /nfs/dbraw/zinc/13/44/56/1019134456.db2.gz KRMMFSHPGQACCG-INIZCTEOSA-N 2 2 315.486 3.998 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C(C)(C)C(F)F ZINC000657849829 1019154239 /nfs/dbraw/zinc/15/42/39/1019154239.db2.gz CMWTUDNFHAHOSG-NSHDSACASA-N 2 2 311.351 3.781 20 0 DHADLP c1sc(-c2ccccc2)nc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998461 1032814651 /nfs/dbraw/zinc/81/46/51/1032814651.db2.gz VCZPAYNDFRGCLJ-HNNXBMFYSA-N 2 2 313.470 3.574 20 0 DHADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000347921528 1019228223 /nfs/dbraw/zinc/22/82/23/1019228223.db2.gz BTBZBFQSCVBBII-IUODEOHRSA-N 2 2 307.507 3.503 20 0 DHADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000347921528 1019228227 /nfs/dbraw/zinc/22/82/27/1019228227.db2.gz BTBZBFQSCVBBII-IUODEOHRSA-N 2 2 307.507 3.503 20 0 DHADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)s1 ZINC000347921530 1019229617 /nfs/dbraw/zinc/22/96/17/1019229617.db2.gz BTBZBFQSCVBBII-SWLSCSKDSA-N 2 2 307.507 3.503 20 0 DHADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000347921530 1019229620 /nfs/dbraw/zinc/22/96/20/1019229620.db2.gz BTBZBFQSCVBBII-SWLSCSKDSA-N 2 2 307.507 3.503 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CCC2(F)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000672616940 1019320048 /nfs/dbraw/zinc/32/00/48/1019320048.db2.gz QHAONRIXDMUPQM-QGZVFWFLSA-N 2 2 304.453 3.911 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CCC2(F)CCC2)C[N@H+]1Cc1ccccc1 ZINC000672616940 1019320057 /nfs/dbraw/zinc/32/00/57/1019320057.db2.gz QHAONRIXDMUPQM-QGZVFWFLSA-N 2 2 304.453 3.911 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC000090452428 1019389169 /nfs/dbraw/zinc/38/91/69/1019389169.db2.gz DLNFFEYRTVVIDY-BEFAXECRSA-N 2 2 319.408 3.965 20 0 DHADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CO2 ZINC000090452713 1019389281 /nfs/dbraw/zinc/38/92/81/1019389281.db2.gz FYBFVOXGSAEXCT-LJQANCHMSA-N 2 2 314.473 3.815 20 0 DHADLP Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000090519893 1019408485 /nfs/dbraw/zinc/40/84/85/1019408485.db2.gz MBVWUSARGAEMRO-OXJNMPFZSA-N 2 2 321.424 3.565 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)[nH]1 ZINC000092072270 1019499181 /nfs/dbraw/zinc/49/91/81/1019499181.db2.gz XMSMNJPZHZENBL-LJQANCHMSA-N 2 2 318.424 3.851 20 0 DHADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)[nH]1 ZINC000092072270 1019499188 /nfs/dbraw/zinc/49/91/88/1019499188.db2.gz XMSMNJPZHZENBL-LJQANCHMSA-N 2 2 318.424 3.851 20 0 DHADLP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071594 1019501187 /nfs/dbraw/zinc/50/11/87/1019501187.db2.gz UKBVIROUFGFPBA-MRXNPFEDSA-N 2 2 321.424 3.951 20 0 DHADLP COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071594 1019501194 /nfs/dbraw/zinc/50/11/94/1019501194.db2.gz UKBVIROUFGFPBA-MRXNPFEDSA-N 2 2 321.424 3.951 20 0 DHADLP CC(C)CCn1cccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073960 1019504032 /nfs/dbraw/zinc/50/40/32/1019504032.db2.gz UKTNGZCJIVXNKT-INIZCTEOSA-N 2 2 300.450 3.637 20 0 DHADLP CC(C)CCn1cccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073960 1019504039 /nfs/dbraw/zinc/50/40/39/1019504039.db2.gz UKTNGZCJIVXNKT-INIZCTEOSA-N 2 2 300.450 3.637 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093644936 1019575130 /nfs/dbraw/zinc/57/51/30/1019575130.db2.gz LKCGVZIHMVYTEG-HIFRSBDPSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1ccc(OC(F)F)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093644936 1019575144 /nfs/dbraw/zinc/57/51/44/1019575144.db2.gz LKCGVZIHMVYTEG-HIFRSBDPSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644936 1019575169 /nfs/dbraw/zinc/57/51/69/1019575169.db2.gz LKCGVZIHMVYTEG-HIFRSBDPSA-N 2 2 312.404 3.511 20 0 DHADLP Cc1ccc(OC(F)F)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644936 1019575181 /nfs/dbraw/zinc/57/51/81/1019575181.db2.gz LKCGVZIHMVYTEG-HIFRSBDPSA-N 2 2 312.404 3.511 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C(F)F)nc1 ZINC000657869590 1019630276 /nfs/dbraw/zinc/63/02/76/1019630276.db2.gz XUDZCDMJXAKMQO-ZDUSSCGKSA-N 2 2 320.387 3.957 20 0 DHADLP Cc1[nH]c(C[N@@H+]2CCc3ccc(Cl)cc3[C@H](C)C2)c(C)[nH+]1 ZINC001171718201 1032843160 /nfs/dbraw/zinc/84/31/60/1032843160.db2.gz CIUQGZSUVOLHHU-LLVKDONJSA-N 2 2 303.837 3.842 20 0 DHADLP Cc1[nH]c(C[N@H+]2CCc3ccc(Cl)cc3[C@H](C)C2)c(C)[nH+]1 ZINC001171718201 1032843178 /nfs/dbraw/zinc/84/31/78/1032843178.db2.gz CIUQGZSUVOLHHU-LLVKDONJSA-N 2 2 303.837 3.842 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C/C=C\c1ccc(F)c(F)c1)CCC2 ZINC000671715957 1019653101 /nfs/dbraw/zinc/65/31/01/1019653101.db2.gz GWQASRQBDSBJQM-NSRYLSIASA-N 2 2 317.383 3.650 20 0 DHADLP CCn1c2ccccc2c2cc(C[NH2+]CC[NH+]3CCCC3)ccc21 ZINC000060844541 1019722915 /nfs/dbraw/zinc/72/29/15/1019722915.db2.gz IKYKXSHWOHZMSD-UHFFFAOYSA-N 2 2 321.468 4.000 20 0 DHADLP COC1([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCC1 ZINC000657882697 1019739615 /nfs/dbraw/zinc/73/96/15/1019739615.db2.gz UXFHKQLQBNMUPJ-HZPDHXFCSA-N 2 2 304.478 3.663 20 0 DHADLP c1ccc(NC2CC[NH+](CCOC3CCCCCC3)CC2)[nH+]c1 ZINC000535575260 1019800455 /nfs/dbraw/zinc/80/04/55/1019800455.db2.gz PMHBAVFXFWVADK-UHFFFAOYSA-N 2 2 317.477 3.697 20 0 DHADLP Oc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000685468017 1019850252 /nfs/dbraw/zinc/85/02/52/1019850252.db2.gz AITWZGKXFOZFTB-VQTJNVASSA-N 2 2 319.408 3.607 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1ncc[nH]1 ZINC000285530428 1019872555 /nfs/dbraw/zinc/87/25/55/1019872555.db2.gz FJNXJUAHVGSJGH-HZPDHXFCSA-N 2 2 312.461 3.635 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ncc[nH]1 ZINC000285530428 1019872570 /nfs/dbraw/zinc/87/25/70/1019872570.db2.gz FJNXJUAHVGSJGH-HZPDHXFCSA-N 2 2 312.461 3.635 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1ncc[nH]1 ZINC000285530430 1019873719 /nfs/dbraw/zinc/87/37/19/1019873719.db2.gz FJNXJUAHVGSJGH-JKSUJKDBSA-N 2 2 312.461 3.635 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ncc[nH]1 ZINC000285530430 1019873734 /nfs/dbraw/zinc/87/37/34/1019873734.db2.gz FJNXJUAHVGSJGH-JKSUJKDBSA-N 2 2 312.461 3.635 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000157831560 1019912619 /nfs/dbraw/zinc/91/26/19/1019912619.db2.gz ABIJDPTYIMVUKS-KKSFZXQISA-N 2 2 321.468 3.884 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(-c2ccncc2)c1 ZINC000157831560 1019912624 /nfs/dbraw/zinc/91/26/24/1019912624.db2.gz ABIJDPTYIMVUKS-KKSFZXQISA-N 2 2 321.468 3.884 20 0 DHADLP CCOc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000069675971 1020056498 /nfs/dbraw/zinc/05/64/98/1020056498.db2.gz UKSLAEMGYQMIKQ-UHFFFAOYSA-N 2 2 321.424 3.620 20 0 DHADLP CC[C@@H](C[NH2+][C@H](C)c1cc2ccncc2s1)[NH+]1CCCC1 ZINC000657833984 1020061150 /nfs/dbraw/zinc/06/11/50/1020061150.db2.gz XYQSPSGUXSWGRY-HIFRSBDPSA-N 2 2 303.475 3.821 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC3CC=CC3)CC2)cc1 ZINC000922735607 1020239577 /nfs/dbraw/zinc/23/95/77/1020239577.db2.gz RGUDYXGMJMRZGT-UHFFFAOYSA-N 2 2 313.489 3.667 20 0 DHADLP CC(C)CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccoc1 ZINC000658294095 1020286928 /nfs/dbraw/zinc/28/69/28/1020286928.db2.gz FZRQDOPLTXMELV-RBUKOAKNSA-N 2 2 320.477 3.600 20 0 DHADLP c1cn(-c2csc(C[NH2+][C@H]3CCSC4(CCC4)C3)c2)c[nH+]1 ZINC000922844163 1020300584 /nfs/dbraw/zinc/30/05/84/1020300584.db2.gz AITXEVGMXQGLDU-ZDUSSCGKSA-N 2 2 319.499 3.842 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000347751894 1020303359 /nfs/dbraw/zinc/30/33/59/1020303359.db2.gz QLTKQCJBTAISAY-TZZQJPOUSA-N 2 2 309.457 3.921 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000347751894 1020303379 /nfs/dbraw/zinc/30/33/79/1020303379.db2.gz QLTKQCJBTAISAY-TZZQJPOUSA-N 2 2 309.457 3.921 20 0 DHADLP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000347784471 1020419363 /nfs/dbraw/zinc/41/93/63/1020419363.db2.gz OPMFTSZNFOZSBP-LJQANCHMSA-N 2 2 315.505 3.732 20 0 DHADLP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000347784471 1020419366 /nfs/dbraw/zinc/41/93/66/1020419366.db2.gz OPMFTSZNFOZSBP-LJQANCHMSA-N 2 2 315.505 3.732 20 0 DHADLP c1cncc(-c2cccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c2)c1 ZINC000655857304 1020432369 /nfs/dbraw/zinc/43/23/69/1020432369.db2.gz RZPWKWOQTVMFTD-RTWAWAEBSA-N 2 2 321.468 3.855 20 0 DHADLP c1cncc(-c2cccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)c2)c1 ZINC000655857304 1020432379 /nfs/dbraw/zinc/43/23/79/1020432379.db2.gz RZPWKWOQTVMFTD-RTWAWAEBSA-N 2 2 321.468 3.855 20 0 DHADLP FC(F)c1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000348042868 1020490601 /nfs/dbraw/zinc/49/06/01/1020490601.db2.gz ZZNCZQNHPFOULT-INIZCTEOSA-N 2 2 304.340 3.673 20 0 DHADLP FC(F)c1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000348042868 1020490606 /nfs/dbraw/zinc/49/06/06/1020490606.db2.gz ZZNCZQNHPFOULT-INIZCTEOSA-N 2 2 304.340 3.673 20 0 DHADLP Clc1ccc2c(n1)CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000858464875 1032908810 /nfs/dbraw/zinc/90/88/10/1032908810.db2.gz SDSCFBKCGKWDSM-GOEBONIOSA-N 2 2 319.880 3.719 20 0 DHADLP Clc1ccc2c(n1)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000858464875 1032908818 /nfs/dbraw/zinc/90/88/18/1032908818.db2.gz SDSCFBKCGKWDSM-GOEBONIOSA-N 2 2 319.880 3.719 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000158114138 1020577318 /nfs/dbraw/zinc/57/73/18/1020577318.db2.gz XQWGNXLIHYPMKV-RYUDHWBXSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1Cl ZINC000158114138 1020577324 /nfs/dbraw/zinc/57/73/24/1020577324.db2.gz XQWGNXLIHYPMKV-RYUDHWBXSA-N 2 2 301.261 3.986 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171957879 1032924256 /nfs/dbraw/zinc/92/42/56/1032924256.db2.gz GFJLHQCUYWZXRY-BBRMVZONSA-N 2 2 314.395 3.710 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171957879 1032924264 /nfs/dbraw/zinc/92/42/64/1032924264.db2.gz GFJLHQCUYWZXRY-BBRMVZONSA-N 2 2 314.395 3.710 20 0 DHADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000309725340 1020729844 /nfs/dbraw/zinc/72/98/44/1020729844.db2.gz NLCDFFYOQQYKNJ-GOSISDBHSA-N 2 2 312.457 3.844 20 0 DHADLP CCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000309725340 1020729852 /nfs/dbraw/zinc/72/98/52/1020729852.db2.gz NLCDFFYOQQYKNJ-GOSISDBHSA-N 2 2 312.457 3.844 20 0 DHADLP Cc1oncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967110 1032936357 /nfs/dbraw/zinc/93/63/57/1032936357.db2.gz XHMZBQGRMZMJPV-GOSISDBHSA-N 2 2 313.445 3.516 20 0 DHADLP Cc1oncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967110 1032936362 /nfs/dbraw/zinc/93/63/62/1032936362.db2.gz XHMZBQGRMZMJPV-GOSISDBHSA-N 2 2 313.445 3.516 20 0 DHADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414075627 1020849741 /nfs/dbraw/zinc/84/97/41/1020849741.db2.gz OBZLTQPZKJXWQX-CYBMUJFWSA-N 2 2 312.442 3.666 20 0 DHADLP CCc1ccc([C@@H]([NH2+]C2CC[NH+](CC)CC2)c2cccnc2)cc1 ZINC000924570160 1020884603 /nfs/dbraw/zinc/88/46/03/1020884603.db2.gz MPBDLPSBWZNCQG-OAQYLSRUSA-N 2 2 323.484 3.807 20 0 DHADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000339012042 1032941159 /nfs/dbraw/zinc/94/11/59/1032941159.db2.gz GXHAJTOKAZTPLW-UHFFFAOYSA-N 2 2 312.461 3.801 20 0 DHADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000766271052 1020999751 /nfs/dbraw/zinc/99/97/51/1020999751.db2.gz RBPUZJGOJQGTOT-IAGOWNOFSA-N 2 2 309.457 3.884 20 0 DHADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cccc(-c2ccncc2)c1 ZINC000766271052 1020999756 /nfs/dbraw/zinc/99/97/56/1020999756.db2.gz RBPUZJGOJQGTOT-IAGOWNOFSA-N 2 2 309.457 3.884 20 0 DHADLP COc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000414364699 1021135737 /nfs/dbraw/zinc/13/57/37/1021135737.db2.gz BKEBMQGTUMJKAU-UHFFFAOYSA-N 2 2 320.452 3.721 20 0 DHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301890493 1021239044 /nfs/dbraw/zinc/23/90/44/1021239044.db2.gz QYHAFENUSWVFPE-RDJZCZTQSA-N 2 2 320.440 3.885 20 0 DHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301890493 1021239051 /nfs/dbraw/zinc/23/90/51/1021239051.db2.gz QYHAFENUSWVFPE-RDJZCZTQSA-N 2 2 320.440 3.885 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1cnccn1 ZINC001171982670 1032968364 /nfs/dbraw/zinc/96/83/64/1032968364.db2.gz JNSHYIZRRRMUQE-AEFFLSMTSA-N 2 2 324.472 3.570 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cnccn1 ZINC001171982670 1032968375 /nfs/dbraw/zinc/96/83/75/1032968375.db2.gz JNSHYIZRRRMUQE-AEFFLSMTSA-N 2 2 324.472 3.570 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000252134634 1021273502 /nfs/dbraw/zinc/27/35/02/1021273502.db2.gz LIHVPIDOVIAGQM-AEFFLSMTSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000252134634 1021273511 /nfs/dbraw/zinc/27/35/11/1021273511.db2.gz LIHVPIDOVIAGQM-AEFFLSMTSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000252134634 1021273519 /nfs/dbraw/zinc/27/35/19/1021273519.db2.gz LIHVPIDOVIAGQM-AEFFLSMTSA-N 2 2 304.453 3.912 20 0 DHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000252134634 1021273527 /nfs/dbraw/zinc/27/35/27/1021273527.db2.gz LIHVPIDOVIAGQM-AEFFLSMTSA-N 2 2 304.453 3.912 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000252456417 1021289789 /nfs/dbraw/zinc/28/97/89/1021289789.db2.gz MCGITXNUTXPNFU-HOCLYGCPSA-N 2 2 323.278 3.510 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000252456417 1021289802 /nfs/dbraw/zinc/28/98/02/1021289802.db2.gz MCGITXNUTXPNFU-HOCLYGCPSA-N 2 2 323.278 3.510 20 0 DHADLP Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850411991 1021518587 /nfs/dbraw/zinc/51/85/87/1021518587.db2.gz QNPUGBQNHBOPOO-KRWDZBQOSA-N 2 2 315.486 3.680 20 0 DHADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCCSCC3)cc2)CC1 ZINC000850450828 1021544244 /nfs/dbraw/zinc/54/42/44/1021544244.db2.gz USZGLMVMBVQVPR-INIZCTEOSA-N 2 2 319.518 3.526 20 0 DHADLP C[NH+](C)C1CCN(c2ccc([NH2+][C@H]3CCCC34CC4)cc2)CC1 ZINC000850453977 1021546585 /nfs/dbraw/zinc/54/65/85/1021546585.db2.gz RFKOYIXEIBZIGF-IBGZPJMESA-N 2 2 313.489 3.962 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093403038 1021581666 /nfs/dbraw/zinc/58/16/66/1021581666.db2.gz OBNVMPZMNXGFFX-CQSZACIVSA-N 2 2 321.534 3.937 20 0 DHADLP CCCCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850557453 1021603973 /nfs/dbraw/zinc/60/39/73/1021603973.db2.gz OJBWORJEPOJMPC-HOJAQTOUSA-N 2 2 322.537 3.968 20 0 DHADLP COc1ccc2ccccc2c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093643836 1021638675 /nfs/dbraw/zinc/63/86/75/1021638675.db2.gz GUMILWNWBLSPPI-RDJZCZTQSA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc2ccccc2c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093643836 1021638681 /nfs/dbraw/zinc/63/86/81/1021638681.db2.gz GUMILWNWBLSPPI-RDJZCZTQSA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc2ccccc2c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093643836 1021638684 /nfs/dbraw/zinc/63/86/84/1021638684.db2.gz GUMILWNWBLSPPI-RDJZCZTQSA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc2ccccc2c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093643836 1021638686 /nfs/dbraw/zinc/63/86/86/1021638686.db2.gz GUMILWNWBLSPPI-RDJZCZTQSA-N 2 2 312.457 3.763 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000556591735 1021787990 /nfs/dbraw/zinc/78/79/90/1021787990.db2.gz MILAPQVQKYKSRY-XAMWDVODSA-N 2 2 316.489 3.509 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000556591735 1021788001 /nfs/dbraw/zinc/78/80/01/1021788001.db2.gz MILAPQVQKYKSRY-XAMWDVODSA-N 2 2 316.489 3.509 20 0 DHADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660194145 1021790038 /nfs/dbraw/zinc/79/00/38/1021790038.db2.gz FIHSUGIZIDKWFT-NVXWUHKLSA-N 2 2 324.534 3.539 20 0 DHADLP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660194145 1021790055 /nfs/dbraw/zinc/79/00/55/1021790055.db2.gz FIHSUGIZIDKWFT-NVXWUHKLSA-N 2 2 324.534 3.539 20 0 DHADLP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172105036 1033004124 /nfs/dbraw/zinc/00/41/24/1033004124.db2.gz HUTYAVASYOMOGU-OWZKRDHZSA-N 3 2 323.569 3.884 20 0 DHADLP CCCC[NH+](CCCC)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172105036 1033004133 /nfs/dbraw/zinc/00/41/33/1033004133.db2.gz HUTYAVASYOMOGU-OWZKRDHZSA-N 3 2 323.569 3.884 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)[C@@H](C)C1CCCCC1 ZINC000152779711 1021821297 /nfs/dbraw/zinc/82/12/97/1021821297.db2.gz APNYUHVEJFVVPC-CVEARBPZSA-N 2 2 303.494 3.956 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000261953480 1021858951 /nfs/dbraw/zinc/85/89/51/1021858951.db2.gz NPBAMFMONOISTK-OCCSQVGLSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000261953480 1021858970 /nfs/dbraw/zinc/85/89/70/1021858970.db2.gz NPBAMFMONOISTK-OCCSQVGLSA-N 2 2 319.836 3.554 20 0 DHADLP Fc1cccc2c1SCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000045106276 1021994989 /nfs/dbraw/zinc/99/49/89/1021994989.db2.gz DLFBSWBARMDZCO-HNNXBMFYSA-N 2 2 305.422 3.629 20 0 DHADLP C[C@@H]([NH2+]CCNc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000766515365 1022158549 /nfs/dbraw/zinc/15/85/49/1022158549.db2.gz MTDCEJMCNQIWFM-MRXNPFEDSA-N 2 2 306.413 3.635 20 0 DHADLP CC1(C)C[C@H](Nc2[nH+]cccc2-n2cccc2)C[C@@](C)(C[NH3+])C1 ZINC001169140931 1022272861 /nfs/dbraw/zinc/27/28/61/1022272861.db2.gz HYZKXQRHJTZEOG-HNAYVOBHSA-N 2 2 312.461 3.828 20 0 DHADLP Cc1cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c2cc[nH]c21 ZINC001169151442 1022281784 /nfs/dbraw/zinc/28/17/84/1022281784.db2.gz JSGQINJVZZBDKC-UGSOOPFHSA-N 2 2 300.450 3.827 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000154628274 1022317286 /nfs/dbraw/zinc/31/72/86/1022317286.db2.gz XGXYUSJGBBZPFA-DOTOQJQBSA-N 2 2 320.477 3.619 20 0 DHADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1OC ZINC000154628274 1022317304 /nfs/dbraw/zinc/31/73/04/1022317304.db2.gz XGXYUSJGBBZPFA-DOTOQJQBSA-N 2 2 320.477 3.619 20 0 DHADLP c1cn(CC[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC000155727410 1022418556 /nfs/dbraw/zinc/41/85/56/1022418556.db2.gz RCWDUPXSWDCXDE-OAQYLSRUSA-N 2 2 319.452 3.717 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2Cl)[C@@H](C)C1 ZINC000660081802 1022448463 /nfs/dbraw/zinc/44/84/63/1022448463.db2.gz ISALIZLHRKCPKN-ZFWWWQNUSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC)c2Cl)[C@@H](C)C1 ZINC000660081802 1022448467 /nfs/dbraw/zinc/44/84/67/1022448467.db2.gz ISALIZLHRKCPKN-ZFWWWQNUSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2Cl)[C@@H](C)C1 ZINC000660081802 1022448470 /nfs/dbraw/zinc/44/84/70/1022448470.db2.gz ISALIZLHRKCPKN-ZFWWWQNUSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2Cl)[C@@H](C)C1 ZINC000660081802 1022448475 /nfs/dbraw/zinc/44/84/75/1022448475.db2.gz ISALIZLHRKCPKN-ZFWWWQNUSA-N 2 2 310.869 3.511 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc2[nH+]c[nH]c2cc1F ZINC001169689667 1022501562 /nfs/dbraw/zinc/50/15/62/1022501562.db2.gz HPDABZYMKSCVLG-AWEZNQCLSA-N 2 2 310.376 3.942 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000158114590 1022603304 /nfs/dbraw/zinc/60/33/04/1022603304.db2.gz XQWGNXLIHYPMKV-VXGBXAGGSA-N 2 2 301.261 3.986 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309697 1022676395 /nfs/dbraw/zinc/67/63/95/1022676395.db2.gz JCRKREIMNPLKLS-NXNVCVFFSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309697 1022676400 /nfs/dbraw/zinc/67/64/00/1022676400.db2.gz JCRKREIMNPLKLS-NXNVCVFFSA-N 2 2 304.503 3.847 20 0 DHADLP c1cn(CCCC2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)c[nH+]1 ZINC000660244409 1022803890 /nfs/dbraw/zinc/80/38/90/1022803890.db2.gz HAKQSQRNTDQCPW-CEXWTWQISA-N 2 2 301.478 3.812 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000119859516 1022872176 /nfs/dbraw/zinc/87/21/76/1022872176.db2.gz GSJKUMZRCASRTA-CYBMUJFWSA-N 2 2 305.422 3.508 20 0 DHADLP C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000768087553 1022877069 /nfs/dbraw/zinc/87/70/69/1022877069.db2.gz UAXZFASKVPBLCD-KBPBESRZSA-N 2 2 314.395 3.883 20 0 DHADLP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925641756 1022926092 /nfs/dbraw/zinc/92/60/92/1022926092.db2.gz APSWGDVPMNCDOO-HUUCEWRRSA-N 2 2 312.379 3.597 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000364310529 1023006049 /nfs/dbraw/zinc/00/60/49/1023006049.db2.gz IBDGUPGIXOLHEV-CVEARBPZSA-N 2 2 305.466 3.601 20 0 DHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000364310529 1023006064 /nfs/dbraw/zinc/00/60/64/1023006064.db2.gz IBDGUPGIXOLHEV-CVEARBPZSA-N 2 2 305.466 3.601 20 0 DHADLP CC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCOC1 ZINC000167872079 1023050560 /nfs/dbraw/zinc/05/05/60/1023050560.db2.gz VZLKCFIRIJCGNO-SZMVWBNQSA-N 2 2 304.478 3.521 20 0 DHADLP CCCC[C@H](CC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000538587303 1033101358 /nfs/dbraw/zinc/10/13/58/1033101358.db2.gz QBCBESHGJKVTJZ-INIZCTEOSA-N 2 2 318.509 3.993 20 0 DHADLP CC(C)[NH2+]C1CC[NH+](Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876663234 1033118062 /nfs/dbraw/zinc/11/80/62/1033118062.db2.gz YUPBPQXZPPOJBA-UHFFFAOYSA-N 2 2 323.893 3.912 20 0 DHADLP COc1cc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)ccc1C ZINC000660675363 1023377193 /nfs/dbraw/zinc/37/71/93/1023377193.db2.gz IYUOOQPOZIFBFK-UHFFFAOYSA-N 2 2 324.468 3.758 20 0 DHADLP Cc1ccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC000771374027 1023428765 /nfs/dbraw/zinc/42/87/65/1023428765.db2.gz FTDOSQJIPXJPSA-RDJZCZTQSA-N 2 2 300.450 3.660 20 0 DHADLP CC[C@H](C)OCC[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172352232 1033133578 /nfs/dbraw/zinc/13/35/78/1033133578.db2.gz QUQJLUDICZCZHW-GJZGRUSLSA-N 2 2 301.434 3.775 20 0 DHADLP CCCOc1cccc2c(NC[C@@H]3CCC[N@H+](C)C3)cc[nH+]c12 ZINC000538713279 1033139407 /nfs/dbraw/zinc/13/94/07/1033139407.db2.gz FMMQQHZNZHVVEL-HNNXBMFYSA-N 2 2 313.445 3.777 20 0 DHADLP CCCOc1cccc2c(NC[C@@H]3CCC[N@@H+](C)C3)cc[nH+]c12 ZINC000538713279 1033139419 /nfs/dbraw/zinc/13/94/19/1033139419.db2.gz FMMQQHZNZHVVEL-HNNXBMFYSA-N 2 2 313.445 3.777 20 0 DHADLP C[C@@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172369821 1033149687 /nfs/dbraw/zinc/14/96/87/1033149687.db2.gz NMTZSGONKBGENS-ZKXLYKBJSA-N 2 2 301.478 3.983 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000651949347 1023673715 /nfs/dbraw/zinc/67/37/15/1023673715.db2.gz JBIDXBDTLUSLCE-QGZVFWFLSA-N 2 2 320.452 3.890 20 0 DHADLP CC[C@@H]([NH2+]CCC[N@H+](CC)C1CCCCC1)c1nccn1C ZINC000652238095 1023707436 /nfs/dbraw/zinc/70/74/36/1023707436.db2.gz SRMRJCQNNWNPPR-QGZVFWFLSA-N 2 2 306.498 3.506 20 0 DHADLP CC[C@@H]([NH2+]CCC[N@@H+](CC)C1CCCCC1)c1nccn1C ZINC000652238095 1023707444 /nfs/dbraw/zinc/70/74/44/1023707444.db2.gz SRMRJCQNNWNPPR-QGZVFWFLSA-N 2 2 306.498 3.506 20 0 DHADLP CC(C)CCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001170077156 1023813153 /nfs/dbraw/zinc/81/31/53/1023813153.db2.gz GPKDMVZQCKLTBO-RLLQIKCJSA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001170077156 1023813156 /nfs/dbraw/zinc/81/31/56/1023813156.db2.gz GPKDMVZQCKLTBO-RLLQIKCJSA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001170077156 1023813160 /nfs/dbraw/zinc/81/31/60/1023813160.db2.gz GPKDMVZQCKLTBO-RLLQIKCJSA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001170077156 1023813164 /nfs/dbraw/zinc/81/31/64/1023813164.db2.gz GPKDMVZQCKLTBO-RLLQIKCJSA-N 2 2 315.505 3.660 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000245791722 1023894081 /nfs/dbraw/zinc/89/40/81/1023894081.db2.gz WIOKDIMMPASBRX-ZFWWWQNUSA-N 2 2 309.523 3.603 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000245791722 1023894085 /nfs/dbraw/zinc/89/40/85/1023894085.db2.gz WIOKDIMMPASBRX-ZFWWWQNUSA-N 2 2 309.523 3.603 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000245791722 1023894091 /nfs/dbraw/zinc/89/40/91/1023894091.db2.gz WIOKDIMMPASBRX-ZFWWWQNUSA-N 2 2 309.523 3.603 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000245791722 1023894094 /nfs/dbraw/zinc/89/40/94/1023894094.db2.gz WIOKDIMMPASBRX-ZFWWWQNUSA-N 2 2 309.523 3.603 20 0 DHADLP C[C@@H]1CC[C@@H](N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)C[C@H]1C ZINC001172383283 1033170379 /nfs/dbraw/zinc/17/03/79/1033170379.db2.gz OPLBKCKWDFDUIL-IIAWOOMASA-N 2 2 305.441 3.604 20 0 DHADLP C[C@@H](CC[NH2+][C@@H]1CCc2ccc(Cl)nc21)[NH+]1CCCCC1 ZINC000788737073 1023932341 /nfs/dbraw/zinc/93/23/41/1023932341.db2.gz HZXPWDPRXYHKBV-DZGCQCFKSA-N 2 2 307.869 3.576 20 0 DHADLP CCCCCC[C@H](CCC)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172386340 1033173660 /nfs/dbraw/zinc/17/36/60/1033173660.db2.gz DDICLYMCTYZPLR-ROUUACIJSA-N 2 2 310.526 3.968 20 0 DHADLP CCCCCC[C@H](CCC)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172386340 1033173668 /nfs/dbraw/zinc/17/36/68/1033173668.db2.gz DDICLYMCTYZPLR-ROUUACIJSA-N 2 2 310.526 3.968 20 0 DHADLP CCC1([NH3+])CC[NH+]([C@H](C)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000925756287 1023975290 /nfs/dbraw/zinc/97/52/90/1023975290.db2.gz KGCGRXWWLFQNHW-SNVBAGLBSA-N 2 2 316.276 3.840 20 0 DHADLP CC[C@H](CC(C)C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001172395228 1033179357 /nfs/dbraw/zinc/17/93/57/1033179357.db2.gz JUVIPYPPBJBPCQ-CABCVRRESA-N 2 2 313.283 3.863 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000531143653 1024036317 /nfs/dbraw/zinc/03/63/17/1024036317.db2.gz LCOFNONPJMBJMM-XJKSGUPXSA-N 2 2 310.869 3.653 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000531143653 1024036329 /nfs/dbraw/zinc/03/63/29/1024036329.db2.gz LCOFNONPJMBJMM-XJKSGUPXSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000531143653 1024036343 /nfs/dbraw/zinc/03/63/43/1024036343.db2.gz LCOFNONPJMBJMM-XJKSGUPXSA-N 2 2 310.869 3.653 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000531143653 1024036346 /nfs/dbraw/zinc/03/63/46/1024036346.db2.gz LCOFNONPJMBJMM-XJKSGUPXSA-N 2 2 310.869 3.653 20 0 DHADLP CC[C@H](CC(C)C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001172398127 1033181388 /nfs/dbraw/zinc/18/13/88/1033181388.db2.gz SFFUZLWHOVFLOG-MRXNPFEDSA-N 2 2 320.525 3.708 20 0 DHADLP CC[C@H](CC(C)C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001172398127 1033181396 /nfs/dbraw/zinc/18/13/96/1033181396.db2.gz SFFUZLWHOVFLOG-MRXNPFEDSA-N 2 2 320.525 3.708 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000538800252 1033186589 /nfs/dbraw/zinc/18/65/89/1033186589.db2.gz ZCIZCBULKCZNHI-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000538800252 1033186597 /nfs/dbraw/zinc/18/65/97/1033186597.db2.gz ZCIZCBULKCZNHI-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000538800252 1033186603 /nfs/dbraw/zinc/18/66/03/1033186603.db2.gz ZCIZCBULKCZNHI-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@H]21 ZINC000538800252 1033186621 /nfs/dbraw/zinc/18/66/21/1033186621.db2.gz ZCIZCBULKCZNHI-XJKSGUPXSA-N 2 2 313.272 3.910 20 0 DHADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(OC(F)F)cc1 ZINC000268845943 1024176374 /nfs/dbraw/zinc/17/63/74/1024176374.db2.gz VGLLDPJJCCXHGB-IUODEOHRSA-N 2 2 309.360 3.614 20 0 DHADLP CCOc1ccccc1C[N@H+](CCCF)CCCn1cc[nH+]c1 ZINC000268917571 1024193382 /nfs/dbraw/zinc/19/33/82/1024193382.db2.gz QROKIOOYDYGPKG-UHFFFAOYSA-N 2 2 319.424 3.534 20 0 DHADLP CCOc1ccccc1C[N@@H+](CCCF)CCCn1cc[nH+]c1 ZINC000268917571 1024193386 /nfs/dbraw/zinc/19/33/86/1024193386.db2.gz QROKIOOYDYGPKG-UHFFFAOYSA-N 2 2 319.424 3.534 20 0 DHADLP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000531684706 1024272429 /nfs/dbraw/zinc/27/24/29/1024272429.db2.gz RLRSHDBPZSVYDC-GOSISDBHSA-N 2 2 301.434 3.803 20 0 DHADLP Clc1cccc2c1CC[C@H]2[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269775330 1024313217 /nfs/dbraw/zinc/31/32/17/1024313217.db2.gz MTCWWKOMYXCTRI-MRXNPFEDSA-N 2 2 301.821 3.930 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccncc1Cl ZINC000663465737 1024403401 /nfs/dbraw/zinc/40/34/01/1024403401.db2.gz KZVDLNPOCFJFKM-UKRRQHHQSA-N 2 2 307.869 3.508 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccncc1Cl ZINC000663465737 1024403404 /nfs/dbraw/zinc/40/34/04/1024403404.db2.gz KZVDLNPOCFJFKM-UKRRQHHQSA-N 2 2 307.869 3.508 20 0 DHADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000270607403 1024407878 /nfs/dbraw/zinc/40/78/78/1024407878.db2.gz BXQWXCFPLBTJNH-AEFFLSMTSA-N 2 2 313.445 3.556 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387422 1024419269 /nfs/dbraw/zinc/41/92/69/1024419269.db2.gz XLQSBLIKMKCEGI-VQIMIIECSA-N 2 2 321.424 3.984 20 0 DHADLP c1ccc2ncc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000271253179 1024478039 /nfs/dbraw/zinc/47/80/39/1024478039.db2.gz FEDJYTBVAWCDOC-NQIIRXRSSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2ncc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000271253179 1024478043 /nfs/dbraw/zinc/47/80/43/1024478043.db2.gz FEDJYTBVAWCDOC-NQIIRXRSSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2c1 ZINC000271253179 1024478046 /nfs/dbraw/zinc/47/80/46/1024478046.db2.gz FEDJYTBVAWCDOC-NQIIRXRSSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2c1 ZINC000271253179 1024478051 /nfs/dbraw/zinc/47/80/51/1024478051.db2.gz FEDJYTBVAWCDOC-NQIIRXRSSA-N 2 2 321.468 3.684 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccnc2Cl)C1 ZINC000271486865 1024520115 /nfs/dbraw/zinc/52/01/15/1024520115.db2.gz JWSQMBIMCJTZEZ-HUUCEWRRSA-N 2 2 309.885 3.754 20 0 DHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccnc2Cl)C1 ZINC000271486865 1024520119 /nfs/dbraw/zinc/52/01/19/1024520119.db2.gz JWSQMBIMCJTZEZ-HUUCEWRRSA-N 2 2 309.885 3.754 20 0 DHADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000643526839 1024527731 /nfs/dbraw/zinc/52/77/31/1024527731.db2.gz AIORYDICWZBQQA-SFYZADRCSA-N 2 2 314.273 3.722 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000349134044 1024679128 /nfs/dbraw/zinc/67/91/28/1024679128.db2.gz WLWBJSIHYPJPLE-OAHLLOKOSA-N 2 2 324.453 3.533 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000349134044 1024679132 /nfs/dbraw/zinc/67/91/32/1024679132.db2.gz WLWBJSIHYPJPLE-OAHLLOKOSA-N 2 2 324.453 3.533 20 0 DHADLP FC(F)(F)c1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109794951 1024698496 /nfs/dbraw/zinc/69/84/96/1024698496.db2.gz SXXDPJORDYCAOH-UHFFFAOYSA-N 2 2 309.335 3.739 20 0 DHADLP C[NH+](Cc1ccccn1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000350348840 1024806003 /nfs/dbraw/zinc/80/60/03/1024806003.db2.gz AFYMIQJGDAPDHO-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP C[NH+](Cc1ccccn1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000350348840 1024806015 /nfs/dbraw/zinc/80/60/15/1024806015.db2.gz AFYMIQJGDAPDHO-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)Cc1ccccn1 ZINC000350348840 1024806040 /nfs/dbraw/zinc/80/60/40/1024806040.db2.gz AFYMIQJGDAPDHO-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)Cc1ccccn1 ZINC000350348840 1024806059 /nfs/dbraw/zinc/80/60/59/1024806059.db2.gz AFYMIQJGDAPDHO-UHFFFAOYSA-N 2 2 311.473 3.672 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001168178426 1024837691 /nfs/dbraw/zinc/83/76/91/1024837691.db2.gz WPBQMZRMXDQOLV-HNNXBMFYSA-N 2 2 318.892 3.689 20 0 DHADLP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001168178426 1024837716 /nfs/dbraw/zinc/83/77/16/1024837716.db2.gz WPBQMZRMXDQOLV-HNNXBMFYSA-N 2 2 318.892 3.689 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(F)cn1 ZINC000352557172 1024923953 /nfs/dbraw/zinc/92/39/53/1024923953.db2.gz KHJHEHVXQZKCEG-MRXNPFEDSA-N 2 2 310.376 3.647 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(F)ccc1F ZINC000320162196 1025005378 /nfs/dbraw/zinc/00/53/78/1025005378.db2.gz XXUUXMSEAVVBJV-ZDUSSCGKSA-N 2 2 317.383 3.679 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000793519862 1025072146 /nfs/dbraw/zinc/07/21/46/1025072146.db2.gz DKCUGIPKYBYSBK-WOUAJJJCSA-N 2 2 316.489 3.651 20 0 DHADLP CCCCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000321664224 1025117984 /nfs/dbraw/zinc/11/79/84/1025117984.db2.gz RGVRCGXNSVZKLH-DBVUQKKJSA-N 2 2 316.489 3.543 20 0 DHADLP CCCCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000321664224 1025117988 /nfs/dbraw/zinc/11/79/88/1025117988.db2.gz RGVRCGXNSVZKLH-DBVUQKKJSA-N 2 2 316.489 3.543 20 0 DHADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000436439140 1025138652 /nfs/dbraw/zinc/13/86/52/1025138652.db2.gz LRPQKVIPOFMOQA-NVXWUHKLSA-N 2 2 316.836 3.604 20 0 DHADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)nc(C)[nH+]1 ZINC000436439140 1025138657 /nfs/dbraw/zinc/13/86/57/1025138657.db2.gz LRPQKVIPOFMOQA-NVXWUHKLSA-N 2 2 316.836 3.604 20 0 DHADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623424857 1025216165 /nfs/dbraw/zinc/21/61/65/1025216165.db2.gz HXJPVCXQQJXBQU-GJZGRUSLSA-N 2 2 314.477 3.580 20 0 DHADLP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623424857 1025216189 /nfs/dbraw/zinc/21/61/89/1025216189.db2.gz HXJPVCXQQJXBQU-GJZGRUSLSA-N 2 2 314.477 3.580 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCC3)s2)C[C@@H]1C ZINC000353748786 1025232096 /nfs/dbraw/zinc/23/20/96/1025232096.db2.gz JBRWQCMRQMPNND-DZGCQCFKSA-N 2 2 307.507 3.715 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCC3)s2)C[C@@H]1C ZINC000353748786 1025232109 /nfs/dbraw/zinc/23/21/09/1025232109.db2.gz JBRWQCMRQMPNND-DZGCQCFKSA-N 2 2 307.507 3.715 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CCC3)s2)C[C@@H]1C ZINC000353748786 1025232128 /nfs/dbraw/zinc/23/21/28/1025232128.db2.gz JBRWQCMRQMPNND-DZGCQCFKSA-N 2 2 307.507 3.715 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)C[C@@H]1C ZINC000353748786 1025232147 /nfs/dbraw/zinc/23/21/47/1025232147.db2.gz JBRWQCMRQMPNND-DZGCQCFKSA-N 2 2 307.507 3.715 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCC3)s2)C[C@H]1C ZINC000353748788 1025232813 /nfs/dbraw/zinc/23/28/13/1025232813.db2.gz JBRWQCMRQMPNND-UKRRQHHQSA-N 2 2 307.507 3.715 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C3CCC3)s2)C[C@H]1C ZINC000353748788 1025232820 /nfs/dbraw/zinc/23/28/20/1025232820.db2.gz JBRWQCMRQMPNND-UKRRQHHQSA-N 2 2 307.507 3.715 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C3CCC3)s2)C[C@H]1C ZINC000353748788 1025232832 /nfs/dbraw/zinc/23/28/32/1025232832.db2.gz JBRWQCMRQMPNND-UKRRQHHQSA-N 2 2 307.507 3.715 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C3CCC3)s2)C[C@H]1C ZINC000353748788 1025232841 /nfs/dbraw/zinc/23/28/41/1025232841.db2.gz JBRWQCMRQMPNND-UKRRQHHQSA-N 2 2 307.507 3.715 20 0 DHADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]3Cc3ccccc3)cc2)c[nH+]1 ZINC000353978721 1025311234 /nfs/dbraw/zinc/31/12/34/1025311234.db2.gz MZYAQGCCZMXXRH-HXUWFJFHSA-N 2 2 303.409 3.689 20 0 DHADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]3Cc3ccccc3)cc2)c[nH+]1 ZINC000353978721 1025311242 /nfs/dbraw/zinc/31/12/42/1025311242.db2.gz MZYAQGCCZMXXRH-HXUWFJFHSA-N 2 2 303.409 3.689 20 0 DHADLP Cc1[nH+]c2c(n1[C@H]1CCC[C@@H](c3ccccc3)C1)CC[NH2+]CC2 ZINC001172540291 1033273676 /nfs/dbraw/zinc/27/36/76/1033273676.db2.gz DERKUUDSZMBXDD-MSOLQXFVSA-N 2 2 309.457 3.779 20 0 DHADLP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354035470 1025330174 /nfs/dbraw/zinc/33/01/74/1025330174.db2.gz YLHVBZBTDKGZPZ-IBGZPJMESA-N 2 2 320.392 3.995 20 0 DHADLP c1cc(C[NH+]2CCC(Nc3ccc(C4CCC4)c[nH+]3)CC2)ccn1 ZINC000354558595 1025453918 /nfs/dbraw/zinc/45/39/18/1025453918.db2.gz HUTGKKZRUAUJRF-UHFFFAOYSA-N 2 2 322.456 3.821 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)[N@H+](C)C1CC1 ZINC000130976523 1025676352 /nfs/dbraw/zinc/67/63/52/1025676352.db2.gz FMTIHIUIOHSCMA-MCIONIFRSA-N 2 2 317.502 3.861 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)[N@@H+](C)C1CC1 ZINC000130976523 1025676362 /nfs/dbraw/zinc/67/63/62/1025676362.db2.gz FMTIHIUIOHSCMA-MCIONIFRSA-N 2 2 317.502 3.861 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894070444 1025686348 /nfs/dbraw/zinc/68/63/48/1025686348.db2.gz ACHBSLBYFHYUEF-GFCCVEGCSA-N 2 2 323.893 3.723 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894070444 1025686355 /nfs/dbraw/zinc/68/63/55/1025686355.db2.gz ACHBSLBYFHYUEF-GFCCVEGCSA-N 2 2 323.893 3.723 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894070444 1025686363 /nfs/dbraw/zinc/68/63/63/1025686363.db2.gz ACHBSLBYFHYUEF-GFCCVEGCSA-N 2 2 323.893 3.723 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccnc(Cl)c3s2)C1 ZINC000894070444 1025686368 /nfs/dbraw/zinc/68/63/68/1025686368.db2.gz ACHBSLBYFHYUEF-GFCCVEGCSA-N 2 2 323.893 3.723 20 0 DHADLP [NH2+]=C(Nc1cc2ccccc2cc1Br)SCC[NH3+] ZINC001167914541 1025709301 /nfs/dbraw/zinc/70/93/01/1025709301.db2.gz MWFXJQBELMWXAQ-UHFFFAOYSA-N 2 2 324.247 3.641 20 0 DHADLP Cc1ccc2oc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2c1 ZINC000152069068 1025715206 /nfs/dbraw/zinc/71/52/06/1025715206.db2.gz HGLPRJQTQRDMIR-UHFFFAOYSA-N 2 2 321.424 3.895 20 0 DHADLP c1nc(C2CCC2)sc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355594425 1025778069 /nfs/dbraw/zinc/77/80/69/1025778069.db2.gz FBHCGZMJPMFVMY-UHFFFAOYSA-N 2 2 305.491 3.517 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Cl)c(C)c1)CCC2 ZINC000355668824 1025806489 /nfs/dbraw/zinc/80/64/89/1025806489.db2.gz MQNNEVVWRKXLBZ-HNNXBMFYSA-N 2 2 303.837 3.821 20 0 DHADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CC[C@H]3C(C)(C)C)cc2)CC1 ZINC000806155853 1025814753 /nfs/dbraw/zinc/81/47/53/1025814753.db2.gz VIQUPGSDETZWNY-MSOLQXFVSA-N 2 2 301.478 3.675 20 0 DHADLP CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860126 1025820236 /nfs/dbraw/zinc/82/02/36/1025820236.db2.gz JBHBWWNWEPRBRT-APWZRJJASA-N 2 2 314.473 3.534 20 0 DHADLP CCOc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860126 1025820249 /nfs/dbraw/zinc/82/02/49/1025820249.db2.gz JBHBWWNWEPRBRT-APWZRJJASA-N 2 2 314.473 3.534 20 0 DHADLP CCOc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134860126 1025820258 /nfs/dbraw/zinc/82/02/58/1025820258.db2.gz JBHBWWNWEPRBRT-APWZRJJASA-N 2 2 314.473 3.534 20 0 DHADLP CCOc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134860126 1025820275 /nfs/dbraw/zinc/82/02/75/1025820275.db2.gz JBHBWWNWEPRBRT-APWZRJJASA-N 2 2 314.473 3.534 20 0 DHADLP CSC1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCC1 ZINC000356324292 1026022865 /nfs/dbraw/zinc/02/28/65/1026022865.db2.gz VDOOKFSLPYEPQI-UHFFFAOYSA-N 2 2 307.507 3.661 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245531075 1026060086 /nfs/dbraw/zinc/06/00/86/1026060086.db2.gz CMHJNEYICHYIFB-HOTGVXAUSA-N 2 2 313.445 3.697 20 0 DHADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245531075 1026060099 /nfs/dbraw/zinc/06/00/99/1026060099.db2.gz CMHJNEYICHYIFB-HOTGVXAUSA-N 2 2 313.445 3.697 20 0 DHADLP C[C@H](c1ccccn1)[NH+](C)CCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000245543348 1026066138 /nfs/dbraw/zinc/06/61/38/1026066138.db2.gz QTFKZTKRNVMQIP-IAGOWNOFSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H](c1ccccn1)[NH+](C)CCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000245543348 1026066157 /nfs/dbraw/zinc/06/61/57/1026066157.db2.gz QTFKZTKRNVMQIP-IAGOWNOFSA-N 2 2 312.461 3.553 20 0 DHADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245546465 1026068794 /nfs/dbraw/zinc/06/87/94/1026068794.db2.gz WMWZSIIJXYRERS-AZUAARDMSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccnc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245546465 1026068806 /nfs/dbraw/zinc/06/88/06/1026068806.db2.gz WMWZSIIJXYRERS-AZUAARDMSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccnc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245546465 1026068821 /nfs/dbraw/zinc/06/88/21/1026068821.db2.gz WMWZSIIJXYRERS-AZUAARDMSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cccnc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245546465 1026068825 /nfs/dbraw/zinc/06/88/25/1026068825.db2.gz WMWZSIIJXYRERS-AZUAARDMSA-N 2 2 323.484 3.875 20 0 DHADLP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052005264 1026094793 /nfs/dbraw/zinc/09/47/93/1026094793.db2.gz LKNIPYMIIZDRLM-HKUYNNGSSA-N 2 2 308.510 3.532 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000093644578 1026121534 /nfs/dbraw/zinc/12/15/34/1026121534.db2.gz RTDLZNJBDLLZJA-NHYWBVRUSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000093644578 1026121540 /nfs/dbraw/zinc/12/15/40/1026121540.db2.gz RTDLZNJBDLLZJA-NHYWBVRUSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000093644578 1026121548 /nfs/dbraw/zinc/12/15/48/1026121548.db2.gz RTDLZNJBDLLZJA-NHYWBVRUSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC[NH+]1C ZINC000093644578 1026121552 /nfs/dbraw/zinc/12/15/52/1026121552.db2.gz RTDLZNJBDLLZJA-NHYWBVRUSA-N 2 2 318.358 3.759 20 0 DHADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000809633495 1026578539 /nfs/dbraw/zinc/57/85/39/1026578539.db2.gz OZXRGKIBFZLBTI-KBPBESRZSA-N 2 2 314.395 3.883 20 0 DHADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000809633495 1026578544 /nfs/dbraw/zinc/57/85/44/1026578544.db2.gz OZXRGKIBFZLBTI-KBPBESRZSA-N 2 2 314.395 3.883 20 0 DHADLP COC1([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCCCC1 ZINC000421826313 1027059208 /nfs/dbraw/zinc/05/92/08/1027059208.db2.gz RUSBMFQLYXPWAN-INIZCTEOSA-N 2 2 313.445 3.700 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCc1ccccc1)C2 ZINC000571572739 1027133236 /nfs/dbraw/zinc/13/32/36/1027133236.db2.gz GWFTUKOFXJTBSM-OKZBNKHCSA-N 2 2 309.457 3.658 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000571622190 1027136810 /nfs/dbraw/zinc/13/68/10/1027136810.db2.gz PHLWPPXMTRJDNY-CABCVRRESA-N 2 2 315.486 3.803 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1csc(-c2ccccc2)n1 ZINC000571622190 1027136817 /nfs/dbraw/zinc/13/68/17/1027136817.db2.gz PHLWPPXMTRJDNY-CABCVRRESA-N 2 2 315.486 3.803 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000271829614 1027154832 /nfs/dbraw/zinc/15/48/32/1027154832.db2.gz IXHGOMDXTXUDLN-ZDUSSCGKSA-N 2 2 322.884 3.608 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000271829614 1027154838 /nfs/dbraw/zinc/15/48/38/1027154838.db2.gz IXHGOMDXTXUDLN-ZDUSSCGKSA-N 2 2 322.884 3.608 20 0 DHADLP Cc1cc([C@@H]([NH2+]CCC[NH2+]C(C)C)c2cccnc2)ccc1F ZINC000572026476 1027165097 /nfs/dbraw/zinc/16/50/97/1027165097.db2.gz KNURANFLFWIMEW-LJQANCHMSA-N 2 2 315.436 3.596 20 0 DHADLP COc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1C ZINC000931708125 1027225623 /nfs/dbraw/zinc/22/56/23/1027225623.db2.gz XHQRDHIIKCSHET-IBGZPJMESA-N 2 2 321.424 3.731 20 0 DHADLP CCCC[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000562139852 1027255400 /nfs/dbraw/zinc/25/54/00/1027255400.db2.gz PXRJRMVKCDEMGA-UHFFFAOYSA-N 2 2 318.509 3.999 20 0 DHADLP CCCC[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000562139852 1027255412 /nfs/dbraw/zinc/25/54/12/1027255412.db2.gz PXRJRMVKCDEMGA-UHFFFAOYSA-N 2 2 318.509 3.999 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(F)cc(Cl)c1)CCC2 ZINC000362510596 1027256178 /nfs/dbraw/zinc/25/61/78/1027256178.db2.gz LQLHKIDHZRQTJV-ZDUSSCGKSA-N 2 2 307.800 3.651 20 0 DHADLP COc1cc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccn1 ZINC000573060448 1027256604 /nfs/dbraw/zinc/25/66/04/1027256604.db2.gz QULVKBGQKWSABH-CABCVRRESA-N 2 2 322.412 3.688 20 0 DHADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1C[NH3+] ZINC000422560897 1027283140 /nfs/dbraw/zinc/28/31/40/1027283140.db2.gz IEXGNOZJNCGSIH-OUAUKWLOSA-N 2 2 306.397 3.572 20 0 DHADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@H]1C[NH3+] ZINC000422560897 1027283148 /nfs/dbraw/zinc/28/31/48/1027283148.db2.gz IEXGNOZJNCGSIH-OUAUKWLOSA-N 2 2 306.397 3.572 20 0 DHADLP CC(C)(C)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422734859 1027302253 /nfs/dbraw/zinc/30/22/53/1027302253.db2.gz DFEYDINRVAWAOY-RBSFLKMASA-N 2 2 321.534 3.841 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000812716707 1027373553 /nfs/dbraw/zinc/37/35/53/1027373553.db2.gz DTAYFPHKSDVFDB-SJLPKXTDSA-N 2 2 313.445 3.671 20 0 DHADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(OC(F)F)c2)c2ccccc21 ZINC000422944652 1027377461 /nfs/dbraw/zinc/37/74/61/1027377461.db2.gz LTLBMPZFAUTBBK-JKSUJKDBSA-N 2 2 304.340 3.522 20 0 DHADLP COc1ccc([C@H]([NH2+]CCCC(C)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000423147766 1027432560 /nfs/dbraw/zinc/43/25/60/1027432560.db2.gz STTJTOUNGUVTDC-CVEARBPZSA-N 2 2 312.404 3.513 20 0 DHADLP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423190569 1027448162 /nfs/dbraw/zinc/44/81/62/1027448162.db2.gz SRMQDKOTYBGWPX-JTQLQIEISA-N 2 2 305.274 3.774 20 0 DHADLP C[NH2+]CCC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423201602 1027451874 /nfs/dbraw/zinc/45/18/74/1027451874.db2.gz PBELYSCUABOABV-QGZVFWFLSA-N 2 2 306.812 3.768 20 0 DHADLP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229780 1027465485 /nfs/dbraw/zinc/46/54/85/1027465485.db2.gz CADFAIZTDZWNHY-WCQYABFASA-N 2 2 319.449 3.660 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(SCC(F)(F)F)cc1 ZINC000423246621 1027471536 /nfs/dbraw/zinc/47/15/36/1027471536.db2.gz ZNLYNIYCONBNHT-YPMHNXCESA-N 2 2 318.408 3.744 20 0 DHADLP [NH3+][C@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)c1ccccc1 ZINC000423254610 1027479547 /nfs/dbraw/zinc/47/95/47/1027479547.db2.gz YRKJBPBAMHIBKA-MJGOQNOKSA-N 2 2 305.425 3.835 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)c2c1 ZINC000423272955 1027490995 /nfs/dbraw/zinc/49/09/95/1027490995.db2.gz ZRVNWYOKJBIKRH-UONOGXRCSA-N 2 2 304.434 3.774 20 0 DHADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21)C1CC1 ZINC000423314916 1027495846 /nfs/dbraw/zinc/49/58/46/1027495846.db2.gz IDJUFEBWWNKXNV-QWHCGFSZSA-N 2 2 315.244 3.534 20 0 DHADLP [NH3+][C@H](C[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21)C1CC1 ZINC000423314915 1027496530 /nfs/dbraw/zinc/49/65/30/1027496530.db2.gz IDJUFEBWWNKXNV-OLZOCXBDSA-N 2 2 315.244 3.534 20 0 DHADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423392810 1027531001 /nfs/dbraw/zinc/53/10/01/1027531001.db2.gz QPQUVRFZJPXDHO-BHIYHBOVSA-N 2 2 316.489 3.522 20 0 DHADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000423402108 1027537486 /nfs/dbraw/zinc/53/74/86/1027537486.db2.gz RGHWQGWUIGKDBJ-TVLCNXBWSA-N 2 2 305.224 3.781 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423508927 1027566274 /nfs/dbraw/zinc/56/62/74/1027566274.db2.gz RFVJYCIQFASHFI-VQTJNVASSA-N 2 2 310.441 3.622 20 0 DHADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423482067 1027567544 /nfs/dbraw/zinc/56/75/44/1027567544.db2.gz XDIFGJWDSCDVFC-DGCLKSJQSA-N 2 2 308.372 3.829 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000423494582 1027575231 /nfs/dbraw/zinc/57/52/31/1027575231.db2.gz AYLHCPGLPKHXGP-CDHQVMDDSA-N 2 2 312.457 3.615 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCC[C@@H](c3ccccc3)C1)C2 ZINC000577249887 1027732516 /nfs/dbraw/zinc/73/25/16/1027732516.db2.gz JJCHKFRUIOWZPH-SQNIBIBYSA-N 2 2 309.457 3.973 20 0 DHADLP CCC(F)(F)C(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000527641702 1027799677 /nfs/dbraw/zinc/79/96/77/1027799677.db2.gz XPPQAZHWQPQFHB-UHFFFAOYSA-N 2 2 311.420 3.712 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@@H](c3ccccc3)CC1)C2 ZINC000527710913 1027857576 /nfs/dbraw/zinc/85/75/76/1027857576.db2.gz MGAVOQNMQYBRQQ-KURKYZTESA-N 2 2 309.457 3.973 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Cl)[C@@H]1c1cccnc1 ZINC000364671499 1027868934 /nfs/dbraw/zinc/86/89/34/1027868934.db2.gz HIHMRIDZCYCCBS-WMZOPIPTSA-N 2 2 315.848 3.518 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Cl)[C@@H]1c1cccnc1 ZINC000364671499 1027868956 /nfs/dbraw/zinc/86/89/56/1027868956.db2.gz HIHMRIDZCYCCBS-WMZOPIPTSA-N 2 2 315.848 3.518 20 0 DHADLP Cc1ccc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)ccc2n1 ZINC000527809743 1027894729 /nfs/dbraw/zinc/89/47/29/1027894729.db2.gz NAFYTWCUOCIWTE-IBGZPJMESA-N 2 2 309.457 3.650 20 0 DHADLP Cc1ccc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)ccc2n1 ZINC000527809743 1027894746 /nfs/dbraw/zinc/89/47/46/1027894746.db2.gz NAFYTWCUOCIWTE-IBGZPJMESA-N 2 2 309.457 3.650 20 0 DHADLP c1cncc([C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C2CCC2)c1 ZINC000527954139 1027985282 /nfs/dbraw/zinc/98/52/82/1027985282.db2.gz YPYIDBDXVLIYTK-UXHICEINSA-N 2 2 313.489 3.919 20 0 DHADLP c1cncc([C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C2CCC2)c1 ZINC000527954139 1027985287 /nfs/dbraw/zinc/98/52/87/1027985287.db2.gz YPYIDBDXVLIYTK-UXHICEINSA-N 2 2 313.489 3.919 20 0 DHADLP C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954461 1027986949 /nfs/dbraw/zinc/98/69/49/1027986949.db2.gz ZQNAFKPWOKOYEJ-MTFMMBMASA-N 2 2 320.521 3.578 20 0 DHADLP C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527954461 1027986958 /nfs/dbraw/zinc/98/69/58/1027986958.db2.gz ZQNAFKPWOKOYEJ-MTFMMBMASA-N 2 2 320.521 3.578 20 0 DHADLP CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000563351312 1028009659 /nfs/dbraw/zinc/00/96/59/1028009659.db2.gz YSLNVHOWENRFEK-ZDUSSCGKSA-N 2 2 319.836 3.841 20 0 DHADLP CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000563351312 1028009675 /nfs/dbraw/zinc/00/96/75/1028009675.db2.gz YSLNVHOWENRFEK-ZDUSSCGKSA-N 2 2 319.836 3.841 20 0 DHADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000577986216 1028010025 /nfs/dbraw/zinc/01/00/25/1028010025.db2.gz XHAFMRIJAKDRKI-CYBMUJFWSA-N 2 2 302.384 3.739 20 0 DHADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000577986216 1028010037 /nfs/dbraw/zinc/01/00/37/1028010037.db2.gz XHAFMRIJAKDRKI-CYBMUJFWSA-N 2 2 302.384 3.739 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000528003022 1028033019 /nfs/dbraw/zinc/03/30/19/1028033019.db2.gz RKBLAJXCHREGEV-BSWAZPDLSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000528003022 1028033036 /nfs/dbraw/zinc/03/30/36/1028033036.db2.gz RKBLAJXCHREGEV-BSWAZPDLSA-N 2 2 304.503 3.847 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000528013565 1028043436 /nfs/dbraw/zinc/04/34/36/1028043436.db2.gz SMLYBVVWXYBRLY-CRAIPNDOSA-N 2 2 302.462 3.753 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528013565 1028043451 /nfs/dbraw/zinc/04/34/51/1028043451.db2.gz SMLYBVVWXYBRLY-CRAIPNDOSA-N 2 2 302.462 3.753 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(OC)cc1 ZINC000528015808 1028061947 /nfs/dbraw/zinc/06/19/47/1028061947.db2.gz YWNFTOBIXDHCNI-PKOBYXMFSA-N 2 2 302.462 3.753 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(OC)cc1 ZINC000528015808 1028061968 /nfs/dbraw/zinc/06/19/68/1028061968.db2.gz YWNFTOBIXDHCNI-PKOBYXMFSA-N 2 2 302.462 3.753 20 0 DHADLP Cc1cc[nH+]c(C)c1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001170751397 1028092513 /nfs/dbraw/zinc/09/25/13/1028092513.db2.gz FJKMMGWIZPFKLK-IBGZPJMESA-N 2 2 309.457 3.817 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(SC(F)F)cc1 ZINC000779063786 1028124404 /nfs/dbraw/zinc/12/44/04/1028124404.db2.gz DYQWRDAMNJPPRI-YPMHNXCESA-N 2 2 323.412 3.863 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCC12CCOCC2)c1ccccc1 ZINC000367057502 1028129538 /nfs/dbraw/zinc/12/95/38/1028129538.db2.gz KEQXIIACKPPFJS-FUHWJXTLSA-N 2 2 316.489 3.665 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1nc(-c2ccccc2)cs1 ZINC000578404722 1028144251 /nfs/dbraw/zinc/14/42/51/1028144251.db2.gz BGVQAHWQKDGQER-TZMCWYRMSA-N 2 2 324.453 3.741 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000367320023 1028165802 /nfs/dbraw/zinc/16/58/02/1028165802.db2.gz ZTGVJJLTKKAKQL-HNNXBMFYSA-N 2 2 309.413 3.621 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000367320023 1028165810 /nfs/dbraw/zinc/16/58/10/1028165810.db2.gz ZTGVJJLTKKAKQL-HNNXBMFYSA-N 2 2 309.413 3.621 20 0 DHADLP c1cc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc2o1 ZINC000367530139 1028197774 /nfs/dbraw/zinc/19/77/74/1028197774.db2.gz AMGHAOUAFPHUGL-UHFFFAOYSA-N 2 2 307.397 3.586 20 0 DHADLP Clc1ccc(C[C@H]2CCC[C@H]2[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000449061466 1028294849 /nfs/dbraw/zinc/29/48/49/1028294849.db2.gz GFYBMADIBXAUAM-SJLPKXTDSA-N 2 2 317.864 3.928 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(C)(C)C)cc1 ZINC000368097930 1028296792 /nfs/dbraw/zinc/29/67/92/1028296792.db2.gz AOZYFTKVDBCMJL-UKRRQHHQSA-N 2 2 313.445 3.795 20 0 DHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C)c2ccccn2)CC1 ZINC000449062127 1028301624 /nfs/dbraw/zinc/30/16/24/1028301624.db2.gz IKBGNJFSXLPEDH-QZTJIDSGSA-N 2 2 323.484 3.828 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)C2 ZINC000368103555 1028302512 /nfs/dbraw/zinc/30/25/12/1028302512.db2.gz WUNYYIKPQRWBKK-UYAOXDASSA-N 2 2 317.436 3.841 20 0 DHADLP Fc1ccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2)cc1 ZINC000368103343 1028304022 /nfs/dbraw/zinc/30/40/22/1028304022.db2.gz VATWXSDPIGFHAG-PXNSSMCTSA-N 2 2 321.399 3.785 20 0 DHADLP Cc1cc2cc([C@H](C)[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)oc2cc1C ZINC000368105666 1028304316 /nfs/dbraw/zinc/30/43/16/1028304316.db2.gz VGSADKVQJUXJAX-ZFWWWQNUSA-N 2 2 309.413 3.981 20 0 DHADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+][C@@H]1CCC12CCOCC2 ZINC000564100198 1028304771 /nfs/dbraw/zinc/30/47/71/1028304771.db2.gz LTSWTEFRYVWKPH-GOSISDBHSA-N 2 2 320.521 3.582 20 0 DHADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368103649 1028304749 /nfs/dbraw/zinc/30/47/49/1028304749.db2.gz XSGFFMNDCWGVPI-STQMWFEESA-N 2 2 309.413 3.926 20 0 DHADLP c1c(CC[NH2+][C@H]2CCCC23CCCCC3)[nH+]c2n1CCCC2 ZINC000449073558 1028336681 /nfs/dbraw/zinc/33/66/81/1028336681.db2.gz JIARCZFOISIXJD-KRWDZBQOSA-N 2 2 301.478 3.855 20 0 DHADLP CC(C)C[C@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[NH+](C)C ZINC000449073449 1028337854 /nfs/dbraw/zinc/33/78/54/1028337854.db2.gz NDVMWKBGZANXSI-TVRKMHQQSA-N 2 2 310.526 3.823 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449076758 1028341551 /nfs/dbraw/zinc/34/15/51/1028341551.db2.gz HYHRLAKQHBMIGY-LRYGQEGESA-N 2 2 308.510 3.721 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449076758 1028341568 /nfs/dbraw/zinc/34/15/68/1028341568.db2.gz HYHRLAKQHBMIGY-LRYGQEGESA-N 2 2 308.510 3.721 20 0 DHADLP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(F)c1 ZINC000564217445 1028364316 /nfs/dbraw/zinc/36/43/16/1028364316.db2.gz LTSHZJJZXBDXEW-UHFFFAOYSA-N 2 2 320.452 3.579 20 0 DHADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000449140701 1028395319 /nfs/dbraw/zinc/39/53/19/1028395319.db2.gz JWVVCVLAWGFLHZ-JZXOWHBKSA-N 2 2 303.494 3.706 20 0 DHADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000449140701 1028395336 /nfs/dbraw/zinc/39/53/36/1028395336.db2.gz JWVVCVLAWGFLHZ-JZXOWHBKSA-N 2 2 303.494 3.706 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000368706007 1028396346 /nfs/dbraw/zinc/39/63/46/1028396346.db2.gz HCIRKNRWBOBYSR-INIZCTEOSA-N 2 2 317.408 3.516 20 0 DHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000368706007 1028396366 /nfs/dbraw/zinc/39/63/66/1028396366.db2.gz HCIRKNRWBOBYSR-INIZCTEOSA-N 2 2 317.408 3.516 20 0 DHADLP Cc1ccc2sc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)nc2c1 ZINC000528406685 1028399984 /nfs/dbraw/zinc/39/99/84/1028399984.db2.gz PJHIKXMFGLNXKM-ZBFHGGJFSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1ccc2sc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)nc2c1 ZINC000528406685 1028399999 /nfs/dbraw/zinc/39/99/99/1028399999.db2.gz PJHIKXMFGLNXKM-ZBFHGGJFSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1ccc2sc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)nc2c1 ZINC000528406685 1028400014 /nfs/dbraw/zinc/40/00/14/1028400014.db2.gz PJHIKXMFGLNXKM-ZBFHGGJFSA-N 2 2 315.486 3.521 20 0 DHADLP Cc1ccc2sc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)nc2c1 ZINC000528406685 1028400020 /nfs/dbraw/zinc/40/00/20/1028400020.db2.gz PJHIKXMFGLNXKM-ZBFHGGJFSA-N 2 2 315.486 3.521 20 0 DHADLP c1c(CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)[nH+]c2n1CCCC2 ZINC000368719074 1028401012 /nfs/dbraw/zinc/40/10/12/1028401012.db2.gz MQFQOFPIUQYZDG-OALUTQOASA-N 2 2 323.484 3.763 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000564530328 1028471559 /nfs/dbraw/zinc/47/15/59/1028471559.db2.gz DCDOQRCXBVLJHC-CYBMUJFWSA-N 2 2 322.412 3.897 20 0 DHADLP C/C(Cl)=C/C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000528496009 1028476070 /nfs/dbraw/zinc/47/60/70/1028476070.db2.gz FWIRYMDTOXQDIC-OEWWAVFSSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C/C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000528496009 1028476079 /nfs/dbraw/zinc/47/60/79/1028476079.db2.gz FWIRYMDTOXQDIC-OEWWAVFSSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C/C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000528496009 1028476083 /nfs/dbraw/zinc/47/60/83/1028476083.db2.gz FWIRYMDTOXQDIC-OEWWAVFSSA-N 2 2 312.910 3.953 20 0 DHADLP C/C(Cl)=C/C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000528496009 1028476093 /nfs/dbraw/zinc/47/60/93/1028476093.db2.gz FWIRYMDTOXQDIC-OEWWAVFSSA-N 2 2 312.910 3.953 20 0 DHADLP CC[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCC1 ZINC000449292748 1028531264 /nfs/dbraw/zinc/53/12/64/1028531264.db2.gz DWTUCHHRELYWQS-GPANFISMSA-N 2 2 318.427 3.960 20 0 DHADLP c1cn(CCCC2CC[NH+](Cc3cc4cccnc4o3)CC2)c[nH+]1 ZINC000449325576 1028533230 /nfs/dbraw/zinc/53/32/30/1028533230.db2.gz NTANTMCUDHVZGN-UHFFFAOYSA-N 2 2 324.428 3.717 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000449327815 1028537533 /nfs/dbraw/zinc/53/75/33/1028537533.db2.gz CTDSOGIGERNIKX-UYAOXDASSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000449327815 1028537541 /nfs/dbraw/zinc/53/75/41/1028537541.db2.gz CTDSOGIGERNIKX-UYAOXDASSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000449327815 1028537552 /nfs/dbraw/zinc/53/75/52/1028537552.db2.gz CTDSOGIGERNIKX-UYAOXDASSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000449327815 1028537570 /nfs/dbraw/zinc/53/75/70/1028537570.db2.gz CTDSOGIGERNIKX-UYAOXDASSA-N 2 2 324.468 3.765 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCC[C@H]1C ZINC000449434910 1028637447 /nfs/dbraw/zinc/63/74/47/1028637447.db2.gz TZODSIFNABYYOO-SOLBZPMBSA-N 2 2 301.478 3.855 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000371477907 1028723259 /nfs/dbraw/zinc/72/32/59/1028723259.db2.gz QQCMEROZABHGAP-LJQANCHMSA-N 2 2 324.403 3.529 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000371477907 1028723264 /nfs/dbraw/zinc/72/32/64/1028723264.db2.gz QQCMEROZABHGAP-LJQANCHMSA-N 2 2 324.403 3.529 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000528740361 1028749075 /nfs/dbraw/zinc/74/90/75/1028749075.db2.gz FCWLTINNRABBNC-UHFFFAOYSA-N 2 2 315.848 3.943 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000528740361 1028749085 /nfs/dbraw/zinc/74/90/85/1028749085.db2.gz FCWLTINNRABBNC-UHFFFAOYSA-N 2 2 315.848 3.943 20 0 DHADLP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000528746207 1028754454 /nfs/dbraw/zinc/75/44/54/1028754454.db2.gz UMGOFUNFVVIUIS-QGZVFWFLSA-N 2 2 301.409 3.680 20 0 DHADLP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000528746207 1028754478 /nfs/dbraw/zinc/75/44/78/1028754478.db2.gz UMGOFUNFVVIUIS-QGZVFWFLSA-N 2 2 301.409 3.680 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628217253 1028945854 /nfs/dbraw/zinc/94/58/54/1028945854.db2.gz QAOYTDQGBWNCFT-QGZVFWFLSA-N 2 2 318.505 3.578 20 0 DHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[C@H](C)C1 ZINC000449765498 1028980371 /nfs/dbraw/zinc/98/03/71/1028980371.db2.gz IRSZWMHKVFJOJG-ULQDDVLXSA-N 2 2 301.478 3.855 20 0 DHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)c1C ZINC000628289831 1028993536 /nfs/dbraw/zinc/99/35/36/1028993536.db2.gz QAEYTNWSOYMMAE-QGZVFWFLSA-N 2 2 312.461 3.774 20 0 DHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)c1C ZINC000628289831 1028993552 /nfs/dbraw/zinc/99/35/52/1028993552.db2.gz QAEYTNWSOYMMAE-QGZVFWFLSA-N 2 2 312.461 3.774 20 0 DHADLP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@@H]21 ZINC000568065414 1029003566 /nfs/dbraw/zinc/00/35/66/1029003566.db2.gz PPASCCOFVCIALZ-BBRMVZONSA-N 2 2 315.848 3.809 20 0 DHADLP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(Cl)cccc34)CC[C@@H]21 ZINC000568065414 1029003581 /nfs/dbraw/zinc/00/35/81/1029003581.db2.gz PPASCCOFVCIALZ-BBRMVZONSA-N 2 2 315.848 3.809 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCC1 ZINC000373482618 1029059994 /nfs/dbraw/zinc/05/99/94/1029059994.db2.gz SMRDEZMLDXKDNF-QGLTVNCISA-N 2 2 304.400 3.570 20 0 DHADLP CC(C)C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccn1 ZINC000373517953 1029066975 /nfs/dbraw/zinc/06/69/75/1029066975.db2.gz BXLZHSYWOPMOLW-FAFZWHIHSA-N 2 2 301.478 3.775 20 0 DHADLP c1ccc2c(c1)SCC[C@H]2[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373517509 1029067006 /nfs/dbraw/zinc/06/70/06/1029067006.db2.gz ASQHQCWRTIPHJX-VMBOVVBDSA-N 2 2 302.487 3.830 20 0 DHADLP Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000411288848 1029093255 /nfs/dbraw/zinc/09/32/55/1029093255.db2.gz FQRQXCCTRANCKN-WBAXXEDZSA-N 2 2 311.404 3.511 20 0 DHADLP Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000411288848 1029093274 /nfs/dbraw/zinc/09/32/74/1029093274.db2.gz FQRQXCCTRANCKN-WBAXXEDZSA-N 2 2 311.404 3.511 20 0 DHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000568793101 1029127464 /nfs/dbraw/zinc/12/74/64/1029127464.db2.gz XUHJGMWUSGTWRQ-XJKSGUPXSA-N 2 2 315.848 3.809 20 0 DHADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000568793101 1029127467 /nfs/dbraw/zinc/12/74/67/1029127467.db2.gz XUHJGMWUSGTWRQ-XJKSGUPXSA-N 2 2 315.848 3.809 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000569003556 1029159896 /nfs/dbraw/zinc/15/98/96/1029159896.db2.gz NQGXVBOQIMDTCE-CQSZACIVSA-N 2 2 307.507 3.622 20 0 DHADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000569003556 1029159901 /nfs/dbraw/zinc/15/99/01/1029159901.db2.gz NQGXVBOQIMDTCE-CQSZACIVSA-N 2 2 307.507 3.622 20 0 DHADLP C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817924198 1029275978 /nfs/dbraw/zinc/27/59/78/1029275978.db2.gz GGYMOHZDQVTMCD-ZLGUVYLKSA-N 2 2 324.468 3.507 20 0 DHADLP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000817941884 1029284763 /nfs/dbraw/zinc/28/47/63/1029284763.db2.gz SUDVQIVYRPFSOC-IUODEOHRSA-N 2 2 312.429 3.720 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(SC(F)F)cc1 ZINC000817950710 1029292190 /nfs/dbraw/zinc/29/21/90/1029292190.db2.gz XLMFPOAUFMFQBH-AAEUAGOBSA-N 2 2 300.418 3.794 20 0 DHADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000817955174 1029293627 /nfs/dbraw/zinc/29/36/27/1029293627.db2.gz RSVGWCMJMFKUGD-OALUTQOASA-N 2 2 310.441 3.752 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000817955175 1029295815 /nfs/dbraw/zinc/29/58/15/1029295815.db2.gz RSVGWCMJMFKUGD-RBUKOAKNSA-N 2 2 310.441 3.752 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2c(s1)CCCC2 ZINC000570090544 1029315146 /nfs/dbraw/zinc/31/51/46/1029315146.db2.gz NCPLLGUTUXPCPQ-DGCLKSJQSA-N 2 2 301.459 3.558 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C)s1 ZINC001138569257 1029343127 /nfs/dbraw/zinc/34/31/27/1029343127.db2.gz DMRGMZSVVUWTGA-MRXNPFEDSA-N 2 2 302.443 3.722 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C)s1 ZINC001138569257 1029343114 /nfs/dbraw/zinc/34/31/14/1029343114.db2.gz DMRGMZSVVUWTGA-MRXNPFEDSA-N 2 2 302.443 3.722 20 0 DHADLP [NH3+]C1(C[NH2+]Cc2cnc(C3CCCC3)s2)CCCCCC1 ZINC000570380657 1029359971 /nfs/dbraw/zinc/35/99/71/1029359971.db2.gz XGLCIROGQYJZJP-UHFFFAOYSA-N 2 2 307.507 3.942 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)[C@H](C)c1nc2ccccc2s1 ZINC000629542111 1029360084 /nfs/dbraw/zinc/36/00/84/1029360084.db2.gz YLQLWANRFZLPNF-RFGFWPKPSA-N 2 2 303.475 3.518 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(SCC(F)F)cc1 ZINC000629539355 1029360302 /nfs/dbraw/zinc/36/03/02/1029360302.db2.gz OGVWZAGKGYHDDS-DYEKYZERSA-N 2 2 314.445 3.835 20 0 DHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC(F)(F)C1 ZINC000529533567 1029366204 /nfs/dbraw/zinc/36/62/04/1029366204.db2.gz RGHVHVGQFKEGNI-NSHDSACASA-N 2 2 309.335 3.535 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570515791 1029377749 /nfs/dbraw/zinc/37/77/49/1029377749.db2.gz STFMRZIRBADXBY-ZWKOTPCHSA-N 2 2 324.468 3.668 20 0 DHADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570515791 1029377765 /nfs/dbraw/zinc/37/77/65/1029377765.db2.gz STFMRZIRBADXBY-ZWKOTPCHSA-N 2 2 324.468 3.668 20 0 DHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170910516 1029413127 /nfs/dbraw/zinc/41/31/27/1029413127.db2.gz JQQOZCLVYBFZKL-HOTGVXAUSA-N 2 2 306.881 3.517 20 0 DHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170910516 1029413131 /nfs/dbraw/zinc/41/31/31/1029413131.db2.gz JQQOZCLVYBFZKL-HOTGVXAUSA-N 2 2 306.881 3.517 20 0 DHADLP Clc1cccc2c1C[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC001170913126 1029420498 /nfs/dbraw/zinc/42/04/98/1029420498.db2.gz DEUFEUYKFDRCFR-QGZVFWFLSA-N 2 2 318.892 3.758 20 0 DHADLP Clc1cccc2c1C[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC001170913125 1029420817 /nfs/dbraw/zinc/42/08/17/1029420817.db2.gz DEUFEUYKFDRCFR-KRWDZBQOSA-N 2 2 318.892 3.758 20 0 DHADLP c1csc([C@H]2c3ccsc3CC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000120948750 1029449855 /nfs/dbraw/zinc/44/98/55/1029449855.db2.gz BFSSPUDIAVLPFT-MRXNPFEDSA-N 2 2 315.467 3.654 20 0 DHADLP c1csc([C@H]2c3ccsc3CC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000120948750 1029449861 /nfs/dbraw/zinc/44/98/61/1029449861.db2.gz BFSSPUDIAVLPFT-MRXNPFEDSA-N 2 2 315.467 3.654 20 0 DHADLP Clc1cccc2c1C[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001170931881 1029593101 /nfs/dbraw/zinc/59/31/01/1029593101.db2.gz BKKHWRZNXRYGKQ-LSDHHAIUSA-N 2 2 315.848 3.734 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](CCc2c(Cl)cccc2Cl)CC1 ZINC000450853048 1029706462 /nfs/dbraw/zinc/70/64/62/1029706462.db2.gz HDGGNGDLSHYVBN-CYBMUJFWSA-N 2 2 315.288 3.952 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2c(Cl)cccc2Cl)CC1 ZINC000450853048 1029706467 /nfs/dbraw/zinc/70/64/67/1029706467.db2.gz HDGGNGDLSHYVBN-CYBMUJFWSA-N 2 2 315.288 3.952 20 0 DHADLP Cc1csc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCC2)n1 ZINC000820835444 1029778111 /nfs/dbraw/zinc/77/81/11/1029778111.db2.gz AIAWPNJWBCPHEQ-VHRNVKJDSA-N 2 2 317.502 3.578 20 0 DHADLP Cc1csc(C2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCC2)n1 ZINC000820835444 1029778118 /nfs/dbraw/zinc/77/81/18/1029778118.db2.gz AIAWPNJWBCPHEQ-VHRNVKJDSA-N 2 2 317.502 3.578 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 ZINC000290169714 1029929068 /nfs/dbraw/zinc/92/90/68/1029929068.db2.gz DTQIEEJAJDLRHL-LEWJYISDSA-N 2 2 324.468 3.535 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451658064 1029965026 /nfs/dbraw/zinc/96/50/26/1029965026.db2.gz XBTUVSRTVHXJBQ-GOSISDBHSA-N 2 2 313.470 3.508 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451658064 1029965041 /nfs/dbraw/zinc/96/50/41/1029965041.db2.gz XBTUVSRTVHXJBQ-GOSISDBHSA-N 2 2 313.470 3.508 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290296427 1029985784 /nfs/dbraw/zinc/98/57/84/1029985784.db2.gz AUCOKDINAJYZQN-XHDPSFHLSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290296427 1029985801 /nfs/dbraw/zinc/98/58/01/1029985801.db2.gz AUCOKDINAJYZQN-XHDPSFHLSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290296427 1029985817 /nfs/dbraw/zinc/98/58/17/1029985817.db2.gz AUCOKDINAJYZQN-XHDPSFHLSA-N 2 2 318.358 3.617 20 0 DHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000290296427 1029985825 /nfs/dbraw/zinc/98/58/25/1029985825.db2.gz AUCOKDINAJYZQN-XHDPSFHLSA-N 2 2 318.358 3.617 20 0 DHADLP c1cn(-c2csc(C[NH2+]C3([C@H]4CCCCO4)CCC3)c2)c[nH+]1 ZINC000865857716 1030064187 /nfs/dbraw/zinc/06/41/87/1030064187.db2.gz WUMKGCFGSIBQEP-MRXNPFEDSA-N 2 2 317.458 3.515 20 0 DHADLP C[C@H](NCCC[N@H+](C)C1CCCCC1)c1cn2c([nH+]1)CCCC2 ZINC000924599306 1030135145 /nfs/dbraw/zinc/13/51/45/1030135145.db2.gz HFGSIVSHCKKYBN-INIZCTEOSA-N 2 2 318.509 3.525 20 0 DHADLP C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1cn2c([nH+]1)CCCC2 ZINC000924599306 1030135154 /nfs/dbraw/zinc/13/51/54/1030135154.db2.gz HFGSIVSHCKKYBN-INIZCTEOSA-N 2 2 318.509 3.525 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000245809408 1030138632 /nfs/dbraw/zinc/13/86/32/1030138632.db2.gz ZCEQUOMYKKKCHF-JFIYKMOQSA-N 2 2 302.462 3.853 20 0 DHADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000245809408 1030138650 /nfs/dbraw/zinc/13/86/50/1030138650.db2.gz ZCEQUOMYKKKCHF-JFIYKMOQSA-N 2 2 302.462 3.853 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924628083 1030145025 /nfs/dbraw/zinc/14/50/25/1030145025.db2.gz GYQKKOJCWWMRFU-KRWDZBQOSA-N 2 2 321.896 3.822 20 0 DHADLP Cc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+]2CCCC2)c2ccccn2)cc1 ZINC000924717424 1030170811 /nfs/dbraw/zinc/17/08/11/1030170811.db2.gz UQXBSWOVNFJTLG-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1ccncc1[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000357784709 1030187087 /nfs/dbraw/zinc/18/70/87/1030187087.db2.gz NPLLZBRMMNLOHE-QGZVFWFLSA-N 2 2 320.440 3.528 20 0 DHADLP C[C@H]([NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1)c1ccccc1Br ZINC001246227888 1030207141 /nfs/dbraw/zinc/20/71/41/1030207141.db2.gz GTFORDOCSZFEOU-UTUOFQBUSA-N 2 2 311.267 3.629 20 0 DHADLP CCc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2cccnc2)cc1 ZINC000925012372 1030246411 /nfs/dbraw/zinc/24/64/11/1030246411.db2.gz UYTSCBPASBYRLA-RXVVDRJESA-N 2 2 323.484 3.665 20 0 DHADLP CCc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2cccnc2)cc1 ZINC000925012372 1030246424 /nfs/dbraw/zinc/24/64/24/1030246424.db2.gz UYTSCBPASBYRLA-RXVVDRJESA-N 2 2 323.484 3.665 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCc3cccc4cccc1c43)C2 ZINC000866360803 1030253938 /nfs/dbraw/zinc/25/39/38/1030253938.db2.gz GFWJPXDDIJTVQZ-RDJZCZTQSA-N 2 2 303.409 3.697 20 0 DHADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000925134079 1030281615 /nfs/dbraw/zinc/28/16/15/1030281615.db2.gz OZOAPVMBLKOYGD-AWEZNQCLSA-N 2 2 307.388 3.742 20 0 DHADLP Clc1ccnc2c1CCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000925233336 1030315224 /nfs/dbraw/zinc/31/52/24/1030315224.db2.gz VLSQDOSWCCSXFW-OAHLLOKOSA-N 2 2 316.836 3.599 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925304636 1030339474 /nfs/dbraw/zinc/33/94/74/1030339474.db2.gz XEUSUTBIPLZJDQ-INIZCTEOSA-N 2 2 307.869 3.575 20 0 DHADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000925302672 1030340706 /nfs/dbraw/zinc/34/07/06/1030340706.db2.gz GZVSKVNTXYZREI-HNNXBMFYSA-N 2 2 313.445 3.865 20 0 DHADLP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358168111 1030355308 /nfs/dbraw/zinc/35/53/08/1030355308.db2.gz BKLVXTYNVHVUAN-DLBZAZTESA-N 2 2 321.424 3.990 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925594164 1030414208 /nfs/dbraw/zinc/41/42/08/1030414208.db2.gz PBOVWQLWNMXCDN-JSFADZTLSA-N 2 2 311.473 3.551 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1cc(C)ccc1OC ZINC000358282011 1030417935 /nfs/dbraw/zinc/41/79/35/1030417935.db2.gz DVJOBUDDDCBDBJ-RYQLBKOJSA-N 2 2 304.478 3.773 20 0 DHADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1cc(C)ccc1OC ZINC000358282011 1030417945 /nfs/dbraw/zinc/41/79/45/1030417945.db2.gz DVJOBUDDDCBDBJ-RYQLBKOJSA-N 2 2 304.478 3.773 20 0 DHADLP COc1cc(Cl)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000533584406 1030445157 /nfs/dbraw/zinc/44/51/57/1030445157.db2.gz BCBNEBBELVHPQW-PWSUYJOCSA-N 2 2 317.260 3.574 20 0 DHADLP COc1cc(Cl)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000533584406 1030445163 /nfs/dbraw/zinc/44/51/63/1030445163.db2.gz BCBNEBBELVHPQW-PWSUYJOCSA-N 2 2 317.260 3.574 20 0 DHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc1 ZINC000925691659 1030455955 /nfs/dbraw/zinc/45/59/55/1030455955.db2.gz JJFRVFHXXFSXDW-VNTMZGSJSA-N 2 2 316.489 3.605 20 0 DHADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749193 1030476821 /nfs/dbraw/zinc/47/68/21/1030476821.db2.gz VEUCBXOAGXOICJ-WFASDCNBSA-N 2 2 313.470 3.517 20 0 DHADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749193 1030476833 /nfs/dbraw/zinc/47/68/33/1030476833.db2.gz VEUCBXOAGXOICJ-WFASDCNBSA-N 2 2 313.470 3.517 20 0 DHADLP CC(C)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246314219 1030476877 /nfs/dbraw/zinc/47/68/77/1030476877.db2.gz DXAUAKOCRNYENE-IEBWSBKVSA-N 2 2 315.505 3.708 20 0 DHADLP CC(C)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246314219 1030476891 /nfs/dbraw/zinc/47/68/91/1030476891.db2.gz DXAUAKOCRNYENE-IEBWSBKVSA-N 2 2 315.505 3.708 20 0 DHADLP Cc1cc(C)c([C@H](C)[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1C ZINC000925751681 1030480455 /nfs/dbraw/zinc/48/04/55/1030480455.db2.gz QYRPJLMCZJKKPF-AWEZNQCLSA-N 2 2 315.486 3.646 20 0 DHADLP Cc1cc(C)c([C@H](C)[N@H+]2CCc3sc(C[NH3+])nc3C2)cc1C ZINC000925751681 1030480458 /nfs/dbraw/zinc/48/04/58/1030480458.db2.gz QYRPJLMCZJKKPF-AWEZNQCLSA-N 2 2 315.486 3.646 20 0 DHADLP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000925877692 1030532059 /nfs/dbraw/zinc/53/20/59/1030532059.db2.gz MCSGVHGZUUZSJS-MLYOOKFZSA-N 2 2 308.425 3.721 20 0 DHADLP Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+]CCCn1cc[nH+]c1)C2 ZINC001171059681 1030586059 /nfs/dbraw/zinc/58/60/59/1030586059.db2.gz PVEWYNKOUNWZNC-AWEZNQCLSA-N 2 2 324.255 3.727 20 0 DHADLP CC(C)(C[NH2+]Cc1ccnc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000291710150 1030612323 /nfs/dbraw/zinc/61/23/23/1030612323.db2.gz ZTZOOTSNNZBZIW-UHFFFAOYSA-N 2 2 316.276 3.600 20 0 DHADLP Cc1nc(-c2ccc([C@H](C)[NH2+]CCn3cc[nH+]c3)cc2)cs1 ZINC000358828966 1030641797 /nfs/dbraw/zinc/64/17/97/1030641797.db2.gz XKRROIBDPWTMQK-ZDUSSCGKSA-N 2 2 312.442 3.666 20 0 DHADLP CCSc1ccccc1C[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926223691 1030663409 /nfs/dbraw/zinc/66/34/09/1030663409.db2.gz CPTKIOXRINKBFC-HOCLYGCPSA-N 2 2 315.486 3.531 20 0 DHADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000247248100 1030683103 /nfs/dbraw/zinc/68/31/03/1030683103.db2.gz ZLPHXTGJHDVQKT-HUUCEWRRSA-N 2 2 315.486 3.803 20 0 DHADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)C1 ZINC000247248100 1030683113 /nfs/dbraw/zinc/68/31/13/1030683113.db2.gz ZLPHXTGJHDVQKT-HUUCEWRRSA-N 2 2 315.486 3.803 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000247942460 1030709604 /nfs/dbraw/zinc/70/96/04/1030709604.db2.gz GLVPPKOQZFKUMV-DBXWQHBBSA-N 2 2 323.484 3.685 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000247942460 1030709619 /nfs/dbraw/zinc/70/96/19/1030709619.db2.gz GLVPPKOQZFKUMV-DBXWQHBBSA-N 2 2 323.484 3.685 20 0 DHADLP CCc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247972675 1030713671 /nfs/dbraw/zinc/71/36/71/1030713671.db2.gz HMKNGQXOZADJSE-DYESRHJHSA-N 2 2 323.484 3.644 20 0 DHADLP CCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247972675 1030713689 /nfs/dbraw/zinc/71/36/89/1030713689.db2.gz HMKNGQXOZADJSE-DYESRHJHSA-N 2 2 323.484 3.644 20 0 DHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1(C)CC1 ZINC000359018331 1030731505 /nfs/dbraw/zinc/73/15/05/1030731505.db2.gz MECYYMTVWGRTAA-XGNXJENSSA-N 2 2 304.400 3.570 20 0 DHADLP Cc1ccc([C@@H](C)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000152012909 1030799227 /nfs/dbraw/zinc/79/92/27/1030799227.db2.gz NUQGZDWDMNWLIK-KRWDZBQOSA-N 2 2 309.457 3.752 20 0 DHADLP C[NH+](C)C1CCN(c2ccc([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000825401984 1030804635 /nfs/dbraw/zinc/80/46/35/1030804635.db2.gz ZFWAZWOIPDPGQB-XPGWFJOJSA-N 2 2 313.489 3.818 20 0 DHADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000261784000 1031065546 /nfs/dbraw/zinc/06/55/46/1031065546.db2.gz FRFBHTQUVAAMQS-MWLCHTKSSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000261784000 1031065565 /nfs/dbraw/zinc/06/55/65/1031065565.db2.gz FRFBHTQUVAAMQS-MWLCHTKSSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262037121 1031089619 /nfs/dbraw/zinc/08/96/19/1031089619.db2.gz XWCJFMYTJSBAJD-MWLCHTKSSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262037121 1031089635 /nfs/dbraw/zinc/08/96/35/1031089635.db2.gz XWCJFMYTJSBAJD-MWLCHTKSSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927160651 1031123938 /nfs/dbraw/zinc/12/39/38/1031123938.db2.gz DHJJLVXKOHSESD-MAUKXSAKSA-N 2 2 311.429 3.625 20 0 DHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171129382 1031182681 /nfs/dbraw/zinc/18/26/81/1031182681.db2.gz LMACKKDPSJZWAG-GOSISDBHSA-N 2 2 306.881 3.613 20 0 DHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171129382 1031182686 /nfs/dbraw/zinc/18/26/86/1031182686.db2.gz LMACKKDPSJZWAG-GOSISDBHSA-N 2 2 306.881 3.613 20 0 DHADLP CCc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc(CC)c1O ZINC001144136616 1031271326 /nfs/dbraw/zinc/27/13/26/1031271326.db2.gz AOSCTGJATJUNAT-UHFFFAOYSA-N 2 2 316.489 3.577 20 0 DHADLP CC(C)[N@H+](Cc1ccc(-n2cccc2)cc1)C1CC[NH+](C)CC1 ZINC001144252768 1031391331 /nfs/dbraw/zinc/39/13/31/1031391331.db2.gz WONJDJKZTXDRLA-UHFFFAOYSA-N 2 2 311.473 3.782 20 0 DHADLP CC(C)[N@@H+](Cc1ccc(-n2cccc2)cc1)C1CC[NH+](C)CC1 ZINC001144252768 1031391348 /nfs/dbraw/zinc/39/13/48/1031391348.db2.gz WONJDJKZTXDRLA-UHFFFAOYSA-N 2 2 311.473 3.782 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2ccccc2n1 ZINC000360498461 1031450804 /nfs/dbraw/zinc/45/08/04/1031450804.db2.gz BKNJQCNSEXQMFV-HNNXBMFYSA-N 2 2 309.457 3.902 20 0 DHADLP CSc1ccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000360537193 1031467547 /nfs/dbraw/zinc/46/75/47/1031467547.db2.gz PKKSRGMVWNBQER-UHFFFAOYSA-N 2 2 304.503 3.905 20 0 DHADLP Fc1ccc(CC[N@H+](CCCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000537247939 1031547746 /nfs/dbraw/zinc/54/77/46/1031547746.db2.gz HWGBRIHVHIFJGE-UHFFFAOYSA-N 2 2 315.436 3.900 20 0 DHADLP Fc1ccc(CC[N@@H+](CCCn2cc[nH+]c2)C2CCCC2)cc1 ZINC000537247939 1031547756 /nfs/dbraw/zinc/54/77/56/1031547756.db2.gz HWGBRIHVHIFJGE-UHFFFAOYSA-N 2 2 315.436 3.900 20 0 DHADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CCC4(CCCCCC4)O3)CC2)[nH]1 ZINC000929803608 1031613894 /nfs/dbraw/zinc/61/38/94/1031613894.db2.gz KPUFUOYQELUPPT-QGZVFWFLSA-N 2 2 317.477 3.861 20 0 DHADLP FC1(F)[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)[C@@H]1c1ccccc1 ZINC000929991900 1031668136 /nfs/dbraw/zinc/66/81/36/1031668136.db2.gz KPEGLNPYDBZQQM-PMPSAXMXSA-N 2 2 317.383 3.638 20 0 DHADLP FC1(F)[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)[C@@H]1c1ccccc1 ZINC000929991900 1031668145 /nfs/dbraw/zinc/66/81/45/1031668145.db2.gz KPEGLNPYDBZQQM-PMPSAXMXSA-N 2 2 317.383 3.638 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2coc(C(C)(C)C)n2)cc1 ZINC000930116929 1031704004 /nfs/dbraw/zinc/70/40/04/1031704004.db2.gz CGZLRGCPEMJKTP-UHFFFAOYSA-N 2 2 315.461 3.666 20 0 DHADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2coc(C(C)(C)C)n2)cc1 ZINC000930116929 1031704019 /nfs/dbraw/zinc/70/40/19/1031704019.db2.gz CGZLRGCPEMJKTP-UHFFFAOYSA-N 2 2 315.461 3.666 20 0 DHADLP c1ccc([C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000294017811 1031756614 /nfs/dbraw/zinc/75/66/14/1031756614.db2.gz DQTFTXNYLJGQLU-HXUWFJFHSA-N 2 2 321.468 3.834 20 0 DHADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000873283383 1031786341 /nfs/dbraw/zinc/78/63/41/1031786341.db2.gz RUWLLYHRXPLBSZ-NWDGAFQWSA-N 2 2 321.774 3.503 20 0 DHADLP C[C@@]1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@]1(F)Cl ZINC000846037310 1031829376 /nfs/dbraw/zinc/82/93/76/1031829376.db2.gz OBCCEWDSJXOJKE-CVEARBPZSA-N 2 2 307.800 3.667 20 0 DHADLP CC[N@H+](CC1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000361304687 1031846902 /nfs/dbraw/zinc/84/69/02/1031846902.db2.gz RULFWRPXXDUMLK-UHFFFAOYSA-N 2 2 316.493 3.609 20 0 DHADLP CC[N@@H+](CC1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000361304687 1031846925 /nfs/dbraw/zinc/84/69/25/1031846925.db2.gz RULFWRPXXDUMLK-UHFFFAOYSA-N 2 2 316.493 3.609 20 0 DHADLP Cc1[nH]c(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)c(C)[nH+]1 ZINC000930538798 1031862056 /nfs/dbraw/zinc/86/20/56/1031862056.db2.gz QMDURDXKSMNFPI-UXHICEINSA-N 2 2 321.424 3.591 20 0 DHADLP Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(-n3cc[nH+]c3)c1)CCC2 ZINC000361495982 1031955523 /nfs/dbraw/zinc/95/55/23/1031955523.db2.gz ICOLVDZVCUWVHZ-INIZCTEOSA-N 2 2 324.453 3.804 20 0 DHADLP Cc1[nH]c(C[NH+]2CCC3(CC2)c2ccccc2N=C3C)c(C)[nH+]1 ZINC000930843389 1031962739 /nfs/dbraw/zinc/96/27/39/1031962739.db2.gz UEKPYVVCTZFJEK-UHFFFAOYSA-N 2 2 308.429 3.666 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1c3cc(F)ccc3C[C@H]1C)CCC2 ZINC000361665605 1032044106 /nfs/dbraw/zinc/04/41/06/1032044106.db2.gz YHQKKZSTQTWKJD-MRAWALMUSA-N 2 2 313.420 3.731 20 0 DHADLP C[NH+]1CCC(c2ccc(Nc3cccc4[nH+]ccn43)cc2)CC1 ZINC001212686895 1033412287 /nfs/dbraw/zinc/41/22/87/1033412287.db2.gz PPCLHVQPTMSLFO-UHFFFAOYSA-N 2 2 306.413 3.887 20 0 DHADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1OC(F)(F)F ZINC000151114011 1033416677 /nfs/dbraw/zinc/41/66/77/1033416677.db2.gz JWWGCINBDVHGEH-GFCCVEGCSA-N 2 2 313.323 3.523 20 0 DHADLP CC[N@H+]([C@@H](C)Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC001172852627 1033421059 /nfs/dbraw/zinc/42/10/59/1033421059.db2.gz HFGOWKQBWMFRRP-ZDUSSCGKSA-N 2 2 312.860 3.826 20 0 DHADLP CC[N@@H+]([C@@H](C)Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC001172852627 1033421068 /nfs/dbraw/zinc/42/10/68/1033421068.db2.gz HFGOWKQBWMFRRP-ZDUSSCGKSA-N 2 2 312.860 3.826 20 0 DHADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC[C@H]1F ZINC001206189569 1033523739 /nfs/dbraw/zinc/52/37/39/1033523739.db2.gz XLCKYNJBJQQYDB-CHWSQXEVSA-N 2 2 324.749 3.620 20 0 DHADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC[C@H]1F ZINC001206189569 1033523747 /nfs/dbraw/zinc/52/37/47/1033523747.db2.gz XLCKYNJBJQQYDB-CHWSQXEVSA-N 2 2 324.749 3.620 20 0 DHADLP CCCOC1CCC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001173097323 1033528881 /nfs/dbraw/zinc/52/88/81/1033528881.db2.gz LDQDXQRSVBOFBJ-UHFFFAOYSA-N 2 2 318.461 3.663 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H](C)c1nc2ccccc2s1 ZINC000152613791 1033531579 /nfs/dbraw/zinc/53/15/79/1033531579.db2.gz FNFURSBYPKHDNU-QWHCGFSZSA-N 2 2 305.491 3.718 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)c(C)c2c1 ZINC000153634417 1033583954 /nfs/dbraw/zinc/58/39/54/1033583954.db2.gz USTPBUBDAZHBRQ-SNPRPXQTSA-N 2 2 316.445 3.883 20 0 DHADLP COc1ccc2oc([C@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c(C)c2c1 ZINC000153634417 1033583964 /nfs/dbraw/zinc/58/39/64/1033583964.db2.gz USTPBUBDAZHBRQ-SNPRPXQTSA-N 2 2 316.445 3.883 20 0 DHADLP CC[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC001173263322 1033635310 /nfs/dbraw/zinc/63/53/10/1033635310.db2.gz JYTSZRDZPHOLHD-DFBGVHRSSA-N 2 2 311.267 3.617 20 0 DHADLP Cc1cc([C@H]([NH2+]CCCCn2cc[nH+]c2)C2CC2)ccc1F ZINC000553093931 1033593701 /nfs/dbraw/zinc/59/37/01/1033593701.db2.gz QCLGVDFJTMURDY-GOSISDBHSA-N 2 2 301.409 3.852 20 0 DHADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235291 1033632561 /nfs/dbraw/zinc/63/25/61/1033632561.db2.gz NDNTTZQOCVSTIJ-MHORFTMASA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235291 1033632566 /nfs/dbraw/zinc/63/25/66/1033632566.db2.gz NDNTTZQOCVSTIJ-MHORFTMASA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235291 1033632578 /nfs/dbraw/zinc/63/25/78/1033632578.db2.gz NDNTTZQOCVSTIJ-MHORFTMASA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000878235291 1033632583 /nfs/dbraw/zinc/63/25/83/1033632583.db2.gz NDNTTZQOCVSTIJ-MHORFTMASA-N 2 2 322.537 3.917 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000878396048 1033689696 /nfs/dbraw/zinc/68/96/96/1033689696.db2.gz GCUGJSKDLITSGI-QAPCUYQASA-N 2 2 311.429 3.625 20 0 DHADLP C([C@@H]1C[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)CCO1)[NH+]1CCCC1 ZINC001173348747 1033702156 /nfs/dbraw/zinc/70/21/56/1033702156.db2.gz LICQBTCYFASIND-RTBURBONSA-N 2 2 320.521 3.676 20 0 DHADLP C([C@@H]1C[N@H+]([C@@H]2CCCC3(CCCCC3)C2)CCO1)[NH+]1CCCC1 ZINC001173348747 1033702172 /nfs/dbraw/zinc/70/21/72/1033702172.db2.gz LICQBTCYFASIND-RTBURBONSA-N 2 2 320.521 3.676 20 0 DHADLP c1cn(CCC[NH2+]C2CCC3(CCc4ccccc43)CC2)c[nH+]1 ZINC001173684973 1033827670 /nfs/dbraw/zinc/82/76/70/1033827670.db2.gz YAFIFTWAVFLEQR-UHFFFAOYSA-N 2 2 309.457 3.690 20 0 DHADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)n1C ZINC000667530885 1033843201 /nfs/dbraw/zinc/84/32/01/1033843201.db2.gz OMWXMFNULINARQ-ZDUSSCGKSA-N 2 2 321.827 3.728 20 0 DHADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)n1C ZINC000667530885 1033843210 /nfs/dbraw/zinc/84/32/10/1033843210.db2.gz OMWXMFNULINARQ-ZDUSSCGKSA-N 2 2 321.827 3.728 20 0 DHADLP CCCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000667533218 1033843969 /nfs/dbraw/zinc/84/39/69/1033843969.db2.gz KJKOBEYVVBMGOM-KRWDZBQOSA-N 2 2 313.445 3.887 20 0 DHADLP CCCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000667533218 1033843980 /nfs/dbraw/zinc/84/39/80/1033843980.db2.gz KJKOBEYVVBMGOM-KRWDZBQOSA-N 2 2 313.445 3.887 20 0 DHADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cnn(C2CCC2)c1 ZINC000924729664 1033931643 /nfs/dbraw/zinc/93/16/43/1033931643.db2.gz NIYQWNUWBRQXRV-RHSMWYFYSA-N 2 2 315.465 3.570 20 0 DHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(-c2ccccc2)no1 ZINC000924730651 1033942054 /nfs/dbraw/zinc/94/20/54/1033942054.db2.gz GGEOUUNPJCDRNK-OAHLLOKOSA-N 2 2 310.401 3.669 20 0 DHADLP C[N@H+](CCC1CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174656061 1033950055 /nfs/dbraw/zinc/95/00/55/1033950055.db2.gz YNENNWIFMXNEDC-UHFFFAOYSA-N 2 2 315.505 3.601 20 0 DHADLP C[N@@H+](CCC1CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174656061 1033950067 /nfs/dbraw/zinc/95/00/67/1033950067.db2.gz YNENNWIFMXNEDC-UHFFFAOYSA-N 2 2 315.505 3.601 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000480093583 1034059855 /nfs/dbraw/zinc/05/98/55/1034059855.db2.gz PVJZAWOTQAOKPB-JKSUJKDBSA-N 2 2 312.457 3.983 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000480093583 1034059870 /nfs/dbraw/zinc/05/98/70/1034059870.db2.gz PVJZAWOTQAOKPB-JKSUJKDBSA-N 2 2 312.457 3.983 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)c(N)c(Cl)c1 ZINC000863542346 1034123657 /nfs/dbraw/zinc/12/36/57/1034123657.db2.gz QBHZXICSVFMXMT-NOZJJQNGSA-N 2 2 314.260 3.511 20 0 DHADLP Cn1c[nH+]cc1CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000176936302 1034123717 /nfs/dbraw/zinc/12/37/17/1034123717.db2.gz SCQWXQGZUDLFJJ-UHFFFAOYSA-N 2 2 312.461 3.797 20 0 DHADLP Cn1c[nH+]cc1CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000176936302 1034123727 /nfs/dbraw/zinc/12/37/27/1034123727.db2.gz SCQWXQGZUDLFJJ-UHFFFAOYSA-N 2 2 312.461 3.797 20 0 DHADLP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000177172279 1034137749 /nfs/dbraw/zinc/13/77/49/1034137749.db2.gz ITRNTPBONYCXMB-SQNIBIBYSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000177172279 1034137763 /nfs/dbraw/zinc/13/77/63/1034137763.db2.gz ITRNTPBONYCXMB-SQNIBIBYSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1ccccn1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000177172279 1034137773 /nfs/dbraw/zinc/13/77/73/1034137773.db2.gz ITRNTPBONYCXMB-SQNIBIBYSA-N 2 2 301.478 3.729 20 0 DHADLP C[C@@H](c1ccccn1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000177172279 1034137781 /nfs/dbraw/zinc/13/77/81/1034137781.db2.gz ITRNTPBONYCXMB-SQNIBIBYSA-N 2 2 301.478 3.729 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000480234646 1034145754 /nfs/dbraw/zinc/14/57/54/1034145754.db2.gz XCOMMHBFOUBEPQ-QGZVFWFLSA-N 2 2 324.468 3.794 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000480234646 1034145759 /nfs/dbraw/zinc/14/57/59/1034145759.db2.gz XCOMMHBFOUBEPQ-QGZVFWFLSA-N 2 2 324.468 3.794 20 0 DHADLP c1cn(Cc2cccc(-c3ccc(C[C@@H]4CCC[NH2+]4)cc3)c2)c[nH+]1 ZINC000863690003 1034176439 /nfs/dbraw/zinc/17/64/39/1034176439.db2.gz IIJOJDOAOSWAKC-NRFANRHFSA-N 2 2 317.436 3.893 20 0 DHADLP c1cn(Cc2ccc(-c3ccc(C[C@H]4CCC[NH2+]4)cc3)cc2)c[nH+]1 ZINC000863725124 1034184851 /nfs/dbraw/zinc/18/48/51/1034184851.db2.gz IMURMJOXEMEXDS-OAQYLSRUSA-N 2 2 317.436 3.893 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3c(Cl)n2)CC[N@@H+]1C ZINC000794558761 1034189347 /nfs/dbraw/zinc/18/93/47/1034189347.db2.gz BLMQZNSBZJJOQP-XJKSGUPXSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@H]([NH+](C)Cc2cc3ccccc3c(Cl)n2)CC[N@H+]1C ZINC000794558761 1034189362 /nfs/dbraw/zinc/18/93/62/1034189362.db2.gz BLMQZNSBZJJOQP-XJKSGUPXSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3c(Cl)n2)CC[NH+]1C ZINC000794558761 1034189367 /nfs/dbraw/zinc/18/93/67/1034189367.db2.gz BLMQZNSBZJJOQP-XJKSGUPXSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3c(Cl)n2)CC[NH+]1C ZINC000794558761 1034189373 /nfs/dbraw/zinc/18/93/73/1034189373.db2.gz BLMQZNSBZJJOQP-XJKSGUPXSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3c(Cl)n2)CC[N@@H+]1C ZINC000794558758 1034190647 /nfs/dbraw/zinc/19/06/47/1034190647.db2.gz BLMQZNSBZJJOQP-BBRMVZONSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc3ccccc3c(Cl)n2)CC[N@H+]1C ZINC000794558758 1034190650 /nfs/dbraw/zinc/19/06/50/1034190650.db2.gz BLMQZNSBZJJOQP-BBRMVZONSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3ccccc3c(Cl)n2)CC[NH+]1C ZINC000794558758 1034190653 /nfs/dbraw/zinc/19/06/53/1034190653.db2.gz BLMQZNSBZJJOQP-BBRMVZONSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3c(Cl)n2)CC[NH+]1C ZINC000794558758 1034190654 /nfs/dbraw/zinc/19/06/54/1034190654.db2.gz BLMQZNSBZJJOQP-BBRMVZONSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480394141 1034225498 /nfs/dbraw/zinc/22/54/98/1034225498.db2.gz HLNJMQPEARKTSZ-LBPRGKRZSA-N 2 2 308.372 3.655 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000880256439 1034266629 /nfs/dbraw/zinc/26/66/29/1034266629.db2.gz IEQMELQTIQQNRY-UHFFFAOYSA-N 2 2 321.534 3.990 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000880257316 1034267360 /nfs/dbraw/zinc/26/73/60/1034267360.db2.gz WEWCMANADGIGIM-KRWDZBQOSA-N 2 2 301.478 3.873 20 0 DHADLP CCC1([NH+]2CCCCC2)CC[NH+](Cc2cccnc2C)CC1 ZINC000880254833 1034268310 /nfs/dbraw/zinc/26/83/10/1034268310.db2.gz PGGCWMZMLLCUDN-UHFFFAOYSA-N 2 2 301.478 3.621 20 0 DHADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000880471085 1034340786 /nfs/dbraw/zinc/34/07/86/1034340786.db2.gz OYUHABIVFZYJPB-UHFFFAOYSA-N 2 2 312.379 3.766 20 0 DHADLP COCc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880569230 1034362040 /nfs/dbraw/zinc/36/20/40/1034362040.db2.gz ILEAAFNXHNMDOD-FQEVSTJZSA-N 2 2 321.424 3.561 20 0 DHADLP FC1(F)CC[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880568854 1034362172 /nfs/dbraw/zinc/36/21/72/1034362172.db2.gz FHUGACLHYBWODY-GOEBONIOSA-N 2 2 305.372 3.649 20 0 DHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889100 1034393304 /nfs/dbraw/zinc/39/33/04/1034393304.db2.gz GCUVXHARBYDTIL-YOEHRIQHSA-N 2 2 321.534 3.963 20 0 DHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(C2CCCCC2)s1 ZINC000554889100 1034393317 /nfs/dbraw/zinc/39/33/17/1034393317.db2.gz GCUVXHARBYDTIL-YOEHRIQHSA-N 2 2 321.534 3.963 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924749835 1034450982 /nfs/dbraw/zinc/45/09/82/1034450982.db2.gz BIEABJMXLXWAEQ-HZPDHXFCSA-N 2 2 313.445 3.724 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(-c3ccccc3)no2)C1 ZINC000924749835 1034451002 /nfs/dbraw/zinc/45/10/02/1034451002.db2.gz BIEABJMXLXWAEQ-HZPDHXFCSA-N 2 2 313.445 3.724 20 0 DHADLP C[NH+](C)Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001174524851 1034483534 /nfs/dbraw/zinc/48/35/34/1034483534.db2.gz RXBRDANBAAEFEM-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000626136110 1034498513 /nfs/dbraw/zinc/49/85/13/1034498513.db2.gz PEUQLRUPNUTJNK-QGZVFWFLSA-N 2 2 321.415 3.780 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000626136110 1034498521 /nfs/dbraw/zinc/49/85/21/1034498521.db2.gz PEUQLRUPNUTJNK-QGZVFWFLSA-N 2 2 321.415 3.780 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128835920 1034539031 /nfs/dbraw/zinc/53/90/31/1034539031.db2.gz ULWNGAVIBDPVFG-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128835920 1034539035 /nfs/dbraw/zinc/53/90/35/1034539035.db2.gz ULWNGAVIBDPVFG-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128835920 1034539045 /nfs/dbraw/zinc/53/90/45/1034539045.db2.gz ULWNGAVIBDPVFG-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128835920 1034539059 /nfs/dbraw/zinc/53/90/59/1034539059.db2.gz ULWNGAVIBDPVFG-CQSZACIVSA-N 2 2 317.864 3.662 20 0 DHADLP Cc1cccc2c1[nH+]cc(C)c2N1CCC(n2cc[nH+]c2)CC1 ZINC000185285658 1034539061 /nfs/dbraw/zinc/53/90/61/1034539061.db2.gz CKFTYHRSVMVHDC-UHFFFAOYSA-N 2 2 306.413 3.890 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924755359 1034612137 /nfs/dbraw/zinc/61/21/37/1034612137.db2.gz WBWPGXZUGBICEU-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)C1 ZINC000924755359 1034612140 /nfs/dbraw/zinc/61/21/40/1034612140.db2.gz WBWPGXZUGBICEU-GHTZIAJQSA-N 2 2 323.484 3.801 20 0 DHADLP CC(C)(C)c1csc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000865403933 1034628586 /nfs/dbraw/zinc/62/85/86/1034628586.db2.gz WBXVTXMTGIGSQP-UHFFFAOYSA-N 2 2 309.523 3.839 20 0 DHADLP C[N@H+](Cc1ccc(Cl)nc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137170725 1034708790 /nfs/dbraw/zinc/70/87/90/1034708790.db2.gz BJLLGOBUDMIFPO-UHFFFAOYSA-N 2 2 321.896 3.964 20 0 DHADLP C[N@@H+](Cc1ccc(Cl)nc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001137170725 1034708801 /nfs/dbraw/zinc/70/88/01/1034708801.db2.gz BJLLGOBUDMIFPO-UHFFFAOYSA-N 2 2 321.896 3.964 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(C)c(F)c(F)c2)C1 ZINC001143611116 1034900305 /nfs/dbraw/zinc/90/03/05/1034900305.db2.gz QJXWDIWJJRJSTJ-HNNXBMFYSA-N 2 2 318.367 3.630 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(C)c(F)c(F)c2)C1 ZINC001143611116 1034900313 /nfs/dbraw/zinc/90/03/13/1034900313.db2.gz QJXWDIWJJRJSTJ-HNNXBMFYSA-N 2 2 318.367 3.630 20 0 DHADLP CC[NH+]1CCN(c2ccc(Nc3[nH+]cccc3C3CC3)cc2)CC1 ZINC001175782779 1035118776 /nfs/dbraw/zinc/11/87/76/1035118776.db2.gz WTRVGEPQQHPVHZ-UHFFFAOYSA-N 2 2 322.456 3.845 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000482619862 1035148109 /nfs/dbraw/zinc/14/81/09/1035148109.db2.gz RPGRZRFTGBWHCC-QZTJIDSGSA-N 2 2 310.526 3.680 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)CC1 ZINC000668091345 1035149517 /nfs/dbraw/zinc/14/95/17/1035149517.db2.gz CRIUZUQREUWJGB-ULJMVYSRSA-N 2 2 316.411 3.570 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C(C)(C)c1ccccc1 ZINC000482633797 1035151025 /nfs/dbraw/zinc/15/10/25/1035151025.db2.gz RJGQKESTRZBGKE-AEFFLSMTSA-N 2 2 300.490 3.959 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C(C)(C)c1ccccc1 ZINC000482633797 1035151032 /nfs/dbraw/zinc/15/10/32/1035151032.db2.gz RJGQKESTRZBGKE-AEFFLSMTSA-N 2 2 300.490 3.959 20 0 DHADLP Nc1ccc2[nH+]c(-c3ccc(F)cc3)cc(Nc3[nH]cc[nH+]3)c2c1 ZINC001176090896 1035193784 /nfs/dbraw/zinc/19/37/84/1035193784.db2.gz QXHNLKVKDAGCHH-UHFFFAOYSA-N 2 2 319.343 3.512 20 0 DHADLP C[NH+](C)Cc1ccc(Nc2[nH+]cccc2N2CCCCC2)cc1 ZINC001176290580 1035235747 /nfs/dbraw/zinc/23/57/47/1035235747.db2.gz LZFHRLKKBMRHDY-UHFFFAOYSA-N 2 2 310.445 3.877 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)CCc1cc(Cl)cc(Cl)c1 ZINC000194745601 1035317574 /nfs/dbraw/zinc/31/75/74/1035317574.db2.gz QRYCVNBLCVXSEP-UHFFFAOYSA-N 2 2 312.244 3.755 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1cc(Cl)cc(Cl)c1 ZINC000194745601 1035317579 /nfs/dbraw/zinc/31/75/79/1035317579.db2.gz QRYCVNBLCVXSEP-UHFFFAOYSA-N 2 2 312.244 3.755 20 0 DHADLP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(F)c1 ZINC001177712833 1035389065 /nfs/dbraw/zinc/38/90/65/1035389065.db2.gz QVIQOABXFCKHGO-ZDUSSCGKSA-N 2 2 315.417 3.966 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+](CCC(F)(F)F)Cc1ccccc1 ZINC000484807505 1035405236 /nfs/dbraw/zinc/40/52/36/1035405236.db2.gz MUEZMXGBIYGJNF-MRXNPFEDSA-N 2 2 314.395 3.925 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+](CCC(F)(F)F)Cc1ccccc1 ZINC000484807505 1035405240 /nfs/dbraw/zinc/40/52/40/1035405240.db2.gz MUEZMXGBIYGJNF-MRXNPFEDSA-N 2 2 314.395 3.925 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484807505 1035405242 /nfs/dbraw/zinc/40/52/42/1035405242.db2.gz MUEZMXGBIYGJNF-MRXNPFEDSA-N 2 2 314.395 3.925 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484807505 1035405246 /nfs/dbraw/zinc/40/52/46/1035405246.db2.gz MUEZMXGBIYGJNF-MRXNPFEDSA-N 2 2 314.395 3.925 20 0 DHADLP CC(C)(C)OCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179095957 1035464921 /nfs/dbraw/zinc/46/49/21/1035464921.db2.gz RGLWVVVNRVJSDA-GOSISDBHSA-N 2 2 318.505 3.834 20 0 DHADLP CC(C)(C)OCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001179095957 1035464927 /nfs/dbraw/zinc/46/49/27/1035464927.db2.gz RGLWVVVNRVJSDA-GOSISDBHSA-N 2 2 318.505 3.834 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCc2ccccc2CC1 ZINC001179148844 1035466990 /nfs/dbraw/zinc/46/69/90/1035466990.db2.gz WZQMRSASLDYDLX-QGZVFWFLSA-N 2 2 300.490 3.644 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC001179147928 1035467237 /nfs/dbraw/zinc/46/72/37/1035467237.db2.gz LLUCVNSOTUGADG-PGYGNJIDSA-N 2 2 322.537 3.824 20 0 DHADLP c1cc(OCC2CC2)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001179316315 1035474235 /nfs/dbraw/zinc/47/42/35/1035474235.db2.gz SPBIVGIZPLSMSL-IBGZPJMESA-N 2 2 314.473 3.582 20 0 DHADLP c1cc(OCC2CC2)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001179316315 1035474238 /nfs/dbraw/zinc/47/42/38/1035474238.db2.gz SPBIVGIZPLSMSL-IBGZPJMESA-N 2 2 314.473 3.582 20 0 DHADLP Cc1cccnc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001179784274 1035500811 /nfs/dbraw/zinc/50/08/11/1035500811.db2.gz FIWFIWGBASAODY-SFHVURJKSA-N 2 2 323.484 3.748 20 0 DHADLP Cc1ccc([C@H](CC(F)(F)F)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC001193071671 1035549062 /nfs/dbraw/zinc/54/90/62/1035549062.db2.gz YCQFFWWUCQLVDS-HNNXBMFYSA-N 2 2 311.351 3.865 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000078912865 1035605989 /nfs/dbraw/zinc/60/59/89/1035605989.db2.gz KVKRBVRPQHQKTQ-CYBMUJFWSA-N 2 2 315.417 3.929 20 0 DHADLP CCc1ccc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000535573921 1035705324 /nfs/dbraw/zinc/70/53/24/1035705324.db2.gz DOYDMUHEAIAEFB-UHFFFAOYSA-N 2 2 309.457 3.763 20 0 DHADLP Fc1ccccc1CC[N@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000539449658 1035734859 /nfs/dbraw/zinc/73/48/59/1035734859.db2.gz WGOKLLJQVDNDTD-UHFFFAOYSA-N 2 2 315.436 3.900 20 0 DHADLP Fc1ccccc1CC[N@@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000539449658 1035734873 /nfs/dbraw/zinc/73/48/73/1035734873.db2.gz WGOKLLJQVDNDTD-UHFFFAOYSA-N 2 2 315.436 3.900 20 0 DHADLP C[NH+]1CCC([N@@H+](Cc2ccco2)C[C@@H]2CCc3ccccc32)CC1 ZINC001181525570 1035934408 /nfs/dbraw/zinc/93/44/08/1035934408.db2.gz NHMOKXHERPDTSX-SFHVURJKSA-N 2 2 324.468 3.906 20 0 DHADLP C[NH+]1CCC([N@H+](Cc2ccco2)C[C@@H]2CCc3ccccc32)CC1 ZINC001181525570 1035934417 /nfs/dbraw/zinc/93/44/17/1035934417.db2.gz NHMOKXHERPDTSX-SFHVURJKSA-N 2 2 324.468 3.906 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2Cl)[C@@H](C)C1 ZINC000660081799 1036106978 /nfs/dbraw/zinc/10/69/78/1036106978.db2.gz ISALIZLHRKCPKN-DZGCQCFKSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC)c2Cl)[C@@H](C)C1 ZINC000660081799 1036106986 /nfs/dbraw/zinc/10/69/86/1036106986.db2.gz ISALIZLHRKCPKN-DZGCQCFKSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2Cl)[C@@H](C)C1 ZINC000660081799 1036106993 /nfs/dbraw/zinc/10/69/93/1036106993.db2.gz ISALIZLHRKCPKN-DZGCQCFKSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2Cl)[C@@H](C)C1 ZINC000660081799 1036106998 /nfs/dbraw/zinc/10/69/98/1036106998.db2.gz ISALIZLHRKCPKN-DZGCQCFKSA-N 2 2 310.869 3.511 20 0 DHADLP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000494930750 1036119902 /nfs/dbraw/zinc/11/99/02/1036119902.db2.gz PIECUTXIMNHTDC-KRWDZBQOSA-N 2 2 320.452 3.675 20 0 DHADLP CCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000494930750 1036119908 /nfs/dbraw/zinc/11/99/08/1036119908.db2.gz PIECUTXIMNHTDC-KRWDZBQOSA-N 2 2 320.452 3.675 20 0 DHADLP C[C@@H](Cc1cccc(F)c1)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001168473856 1036125134 /nfs/dbraw/zinc/12/51/34/1036125134.db2.gz OGPSBEIHSTZXPW-AWEZNQCLSA-N 2 2 309.388 3.952 20 0 DHADLP C(=C/c1ccncc1)\C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000494944437 1036134328 /nfs/dbraw/zinc/13/43/28/1036134328.db2.gz BJIUNEPZEYRUGU-CYXJOQHWSA-N 2 2 313.489 3.683 20 0 DHADLP C(=C/c1ccncc1)\C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000494944437 1036134339 /nfs/dbraw/zinc/13/43/39/1036134339.db2.gz BJIUNEPZEYRUGU-CYXJOQHWSA-N 2 2 313.489 3.683 20 0 DHADLP c1ccc(CC2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCC2)cc1 ZINC000540754398 1036145628 /nfs/dbraw/zinc/14/56/28/1036145628.db2.gz YOBDIVJPUYTUAT-UHFFFAOYSA-N 2 2 321.468 3.805 20 0 DHADLP CCOc1c(Cl)cccc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000494989035 1036163370 /nfs/dbraw/zinc/16/33/70/1036163370.db2.gz ZVTVMGLZUXSKQH-PBHICJAKSA-N 2 2 324.896 3.901 20 0 DHADLP CCOc1c(Cl)cccc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000494989035 1036163377 /nfs/dbraw/zinc/16/33/77/1036163377.db2.gz ZVTVMGLZUXSKQH-PBHICJAKSA-N 2 2 324.896 3.901 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000494989035 1036163380 /nfs/dbraw/zinc/16/33/80/1036163380.db2.gz ZVTVMGLZUXSKQH-PBHICJAKSA-N 2 2 324.896 3.901 20 0 DHADLP CCOc1c(Cl)cccc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000494989035 1036163383 /nfs/dbraw/zinc/16/33/83/1036163383.db2.gz ZVTVMGLZUXSKQH-PBHICJAKSA-N 2 2 324.896 3.901 20 0 DHADLP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495003855 1036178639 /nfs/dbraw/zinc/17/86/39/1036178639.db2.gz DLIYHKMTMFNIBO-QGZVFWFLSA-N 2 2 313.445 3.675 20 0 DHADLP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495003855 1036178647 /nfs/dbraw/zinc/17/86/47/1036178647.db2.gz DLIYHKMTMFNIBO-QGZVFWFLSA-N 2 2 313.445 3.675 20 0 DHADLP CC(C)(C)OC1CC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000491304072 1036214233 /nfs/dbraw/zinc/21/42/33/1036214233.db2.gz JAXHEOUWYCRKCB-CTWPCTMYSA-N 2 2 316.489 3.759 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000250395407 1036273355 /nfs/dbraw/zinc/27/33/55/1036273355.db2.gz YOHVYCOFRXFBRB-DOMZBBRYSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000250395407 1036273366 /nfs/dbraw/zinc/27/33/66/1036273366.db2.gz YOHVYCOFRXFBRB-DOMZBBRYSA-N 2 2 300.368 3.840 20 0 DHADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001168478598 1036299686 /nfs/dbraw/zinc/29/96/86/1036299686.db2.gz GIIDKMIOARBOCY-OAHLLOKOSA-N 2 2 314.404 3.695 20 0 DHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000541770186 1036429635 /nfs/dbraw/zinc/42/96/35/1036429635.db2.gz CWPMUNYVCYLHQG-YPQKKHBXSA-N 2 2 320.427 3.642 20 0 DHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C/C=C\c2ccc(F)cc2F)C1 ZINC000541770186 1036429640 /nfs/dbraw/zinc/42/96/40/1036429640.db2.gz CWPMUNYVCYLHQG-YPQKKHBXSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000541770186 1036429648 /nfs/dbraw/zinc/42/96/48/1036429648.db2.gz CWPMUNYVCYLHQG-YPQKKHBXSA-N 2 2 320.427 3.642 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000541770186 1036429654 /nfs/dbraw/zinc/42/96/54/1036429654.db2.gz CWPMUNYVCYLHQG-YPQKKHBXSA-N 2 2 320.427 3.642 20 0 DHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC001182874213 1036469633 /nfs/dbraw/zinc/46/96/33/1036469633.db2.gz PXLCLMNBQRYBRG-HUUCEWRRSA-N 2 2 302.453 3.910 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CS1 ZINC001182959966 1036487167 /nfs/dbraw/zinc/48/71/67/1036487167.db2.gz OMAQZCQILYBNJK-INMHGKMJSA-N 2 2 310.551 3.903 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CS1 ZINC001182959966 1036487174 /nfs/dbraw/zinc/48/71/74/1036487174.db2.gz OMAQZCQILYBNJK-INMHGKMJSA-N 2 2 310.551 3.903 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CS1 ZINC001182959968 1036487653 /nfs/dbraw/zinc/48/76/53/1036487653.db2.gz OMAQZCQILYBNJK-UXLLHSPISA-N 2 2 310.551 3.903 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CS1 ZINC001182959968 1036487658 /nfs/dbraw/zinc/48/76/58/1036487658.db2.gz OMAQZCQILYBNJK-UXLLHSPISA-N 2 2 310.551 3.903 20 0 DHADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001183046634 1036507597 /nfs/dbraw/zinc/50/75/97/1036507597.db2.gz YIFCXPBQIDVVAB-RFQIPJPRSA-N 2 2 312.910 3.967 20 0 DHADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001183046634 1036507606 /nfs/dbraw/zinc/50/76/06/1036507606.db2.gz YIFCXPBQIDVVAB-RFQIPJPRSA-N 2 2 312.910 3.967 20 0 DHADLP Cc1ccc2[nH+]c(CSCC[NH+](C(C)C)C(C)C)cn2c1 ZINC000762199540 1036609046 /nfs/dbraw/zinc/60/90/46/1036609046.db2.gz TYQTWMQWGPYQRC-UHFFFAOYSA-N 2 2 305.491 3.995 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)C[N@H+](Cc2ccccc2)C1 ZINC001183846955 1036685947 /nfs/dbraw/zinc/68/59/47/1036685947.db2.gz WBOYMEFEAMEHIN-GVVDHYSOSA-N 2 2 312.501 3.923 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)C[N@@H+](Cc2ccccc2)C1 ZINC001183846955 1036685952 /nfs/dbraw/zinc/68/59/52/1036685952.db2.gz WBOYMEFEAMEHIN-GVVDHYSOSA-N 2 2 312.501 3.923 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000495502599 1036687625 /nfs/dbraw/zinc/68/76/25/1036687625.db2.gz JZGMWFUFTWDVEZ-MRXNPFEDSA-N 2 2 312.432 3.925 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000495502599 1036687636 /nfs/dbraw/zinc/68/76/36/1036687636.db2.gz JZGMWFUFTWDVEZ-MRXNPFEDSA-N 2 2 312.432 3.925 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)CC2 ZINC000487916974 1036779509 /nfs/dbraw/zinc/77/95/09/1036779509.db2.gz QMYIYYMJYVQUNZ-PMACEKPBSA-N 2 2 317.436 3.772 20 0 DHADLP CSCC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477719 1036786851 /nfs/dbraw/zinc/78/68/51/1036786851.db2.gz WJPCXVLROVWLPI-DOTOQJQBSA-N 2 2 306.519 3.771 20 0 DHADLP CSCC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477719 1036786869 /nfs/dbraw/zinc/78/68/69/1036786869.db2.gz WJPCXVLROVWLPI-DOTOQJQBSA-N 2 2 306.519 3.771 20 0 DHADLP CC1(C)CC[N@H+](CC[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC001184265642 1036789854 /nfs/dbraw/zinc/78/98/54/1036789854.db2.gz UNGKDLHYYUOVTL-UHFFFAOYSA-N 2 2 308.416 3.532 20 0 DHADLP CC1(C)CC[N@@H+](CC[NH2+]C2CC(c3ccc(F)cc3F)C2)C1 ZINC001184265642 1036789882 /nfs/dbraw/zinc/78/98/82/1036789882.db2.gz UNGKDLHYYUOVTL-UHFFFAOYSA-N 2 2 308.416 3.532 20 0 DHADLP Cc1ccc2cc(C[NH+]3CCC(c4c[nH+]cn4C)CC3)[nH]c2c1 ZINC001184363837 1036811062 /nfs/dbraw/zinc/81/10/62/1036811062.db2.gz FBIDWACSLMTZFG-UHFFFAOYSA-N 2 2 308.429 3.589 20 0 DHADLP Cc1nc(NCCC[N@@H+](C)C2CCCCC2)c2c([nH+]1)CCCC2 ZINC001184644263 1036918852 /nfs/dbraw/zinc/91/88/52/1036918852.db2.gz KJMUWCCVCJMIHK-UHFFFAOYSA-N 2 2 316.493 3.730 20 0 DHADLP Cc1nc(NCCC[N@H+](C)C2CCCCC2)c2c([nH+]1)CCCC2 ZINC001184644263 1036918863 /nfs/dbraw/zinc/91/88/63/1036918863.db2.gz KJMUWCCVCJMIHK-UHFFFAOYSA-N 2 2 316.493 3.730 20 0 DHADLP C[N@H+](CCC[NH2+]Cc1cc(F)c(F)c(F)c1)Cc1ccccc1 ZINC000237081156 1036991261 /nfs/dbraw/zinc/99/12/61/1036991261.db2.gz WTSWCXWLFDJMRI-UHFFFAOYSA-N 2 2 322.374 3.716 20 0 DHADLP C[N@@H+](CCC[NH2+]Cc1cc(F)c(F)c(F)c1)Cc1ccccc1 ZINC000237081156 1036991273 /nfs/dbraw/zinc/99/12/73/1036991273.db2.gz WTSWCXWLFDJMRI-UHFFFAOYSA-N 2 2 322.374 3.716 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CS1 ZINC000488446640 1037030343 /nfs/dbraw/zinc/03/03/43/1037030343.db2.gz UPQLBSUBIAREFJ-ROUUACIJSA-N 2 2 315.486 3.551 20 0 DHADLP COc1cccc2c(N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000570212220 1037098150 /nfs/dbraw/zinc/09/81/50/1037098150.db2.gz CQNJZSQKCHMWPG-KGLIPLIRSA-N 2 2 311.429 3.589 20 0 DHADLP COc1cccc2c(N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)c(C)c[nH+]c12 ZINC000570212220 1037098171 /nfs/dbraw/zinc/09/81/71/1037098171.db2.gz CQNJZSQKCHMWPG-KGLIPLIRSA-N 2 2 311.429 3.589 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+]Cc2c(Cl)cccc2N(C)C)CC1 ZINC001199142900 1037206069 /nfs/dbraw/zinc/20/60/69/1037206069.db2.gz AMDLRBPWAKVMFX-UHFFFAOYSA-N 2 2 323.912 3.616 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2cccc(F)c2)C1 ZINC001168501207 1037235431 /nfs/dbraw/zinc/23/54/31/1037235431.db2.gz PZQNKGMZCLQIKZ-CRAIPNDOSA-N 2 2 314.404 3.613 20 0 DHADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2cccc(F)c2)C1 ZINC001168501207 1037235442 /nfs/dbraw/zinc/23/54/42/1037235442.db2.gz PZQNKGMZCLQIKZ-CRAIPNDOSA-N 2 2 314.404 3.613 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)Cc2cccc(F)c2)C1 ZINC001168501212 1037236820 /nfs/dbraw/zinc/23/68/20/1037236820.db2.gz PZQNKGMZCLQIKZ-QAPCUYQASA-N 2 2 314.404 3.613 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)Cc2cccc(F)c2)C1 ZINC001168501212 1037236826 /nfs/dbraw/zinc/23/68/26/1037236826.db2.gz PZQNKGMZCLQIKZ-QAPCUYQASA-N 2 2 314.404 3.613 20 0 DHADLP C[C@@H]1C[C@H](C)[N@H+](Cc2csc(-c3ccsc3)n2)C[C@@H]1C[NH3+] ZINC000397326353 1037279833 /nfs/dbraw/zinc/27/98/33/1037279833.db2.gz OXGUJSDKLQSBHJ-DYEKYZERSA-N 2 2 321.515 3.677 20 0 DHADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@@H]1C[NH3+] ZINC000397326353 1037279849 /nfs/dbraw/zinc/27/98/49/1037279849.db2.gz OXGUJSDKLQSBHJ-DYEKYZERSA-N 2 2 321.515 3.677 20 0 DHADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397335387 1037283940 /nfs/dbraw/zinc/28/39/40/1037283940.db2.gz BGYGJCZXQKPFOU-OBJOEFQTSA-N 2 2 319.474 3.517 20 0 DHADLP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397335387 1037283954 /nfs/dbraw/zinc/28/39/54/1037283954.db2.gz BGYGJCZXQKPFOU-OBJOEFQTSA-N 2 2 319.474 3.517 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001199699865 1037322720 /nfs/dbraw/zinc/32/27/20/1037322720.db2.gz ABRCLXLQONUPAN-CZUORRHYSA-N 2 2 301.409 3.926 20 0 DHADLP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282131404 1037491488 /nfs/dbraw/zinc/49/14/88/1037491488.db2.gz RJJUTLVEGSELPT-CVEARBPZSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282131404 1037491509 /nfs/dbraw/zinc/49/15/09/1037491509.db2.gz RJJUTLVEGSELPT-CVEARBPZSA-N 2 2 310.445 3.555 20 0 DHADLP Nc1ccc(Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)c[nH+]1 ZINC001201299640 1037597464 /nfs/dbraw/zinc/59/74/64/1037597464.db2.gz HEYOCFBBTWRSGS-IBGZPJMESA-N 2 2 322.456 3.751 20 0 DHADLP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(C)c(F)c1 ZINC001201760437 1037882211 /nfs/dbraw/zinc/88/22/11/1037882211.db2.gz FPIXPCWFHTURRA-INIZCTEOSA-N 2 2 321.465 3.893 20 0 DHADLP Fc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491060602 1037903697 /nfs/dbraw/zinc/90/36/97/1037903697.db2.gz LICRDJWPCJUENQ-SFHVURJKSA-N 2 2 304.453 3.914 20 0 DHADLP Fc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491060602 1037903716 /nfs/dbraw/zinc/90/37/16/1037903716.db2.gz LICRDJWPCJUENQ-SFHVURJKSA-N 2 2 304.453 3.914 20 0 DHADLP C[C@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)C1CCSCC1 ZINC000186961433 1037941637 /nfs/dbraw/zinc/94/16/37/1037941637.db2.gz GNJFPBQKDXUNAH-QFBILLFUSA-N 2 2 318.530 3.945 20 0 DHADLP Fc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494435852 1038099346 /nfs/dbraw/zinc/09/93/46/1038099346.db2.gz JJINKSUKFHRVAQ-GOSISDBHSA-N 2 2 321.399 3.794 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000127054746 1038144108 /nfs/dbraw/zinc/14/41/08/1038144108.db2.gz SVGDKEYRLGLHOL-GHMZBOCLSA-N 2 2 317.246 3.579 20 0 DHADLP CCCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000608067397 1040364338 /nfs/dbraw/zinc/36/43/38/1040364338.db2.gz APWDFLLDPRPPQY-QGZVFWFLSA-N 2 2 313.445 3.648 20 0 DHADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000608069273 1040366159 /nfs/dbraw/zinc/36/61/59/1040366159.db2.gz AFXJOAXYGSUALY-SFHVURJKSA-N 2 2 309.388 3.633 20 0 DHADLP Cn1c(CCC[NH2+]Cc2ccc(F)c(F)c2)[nH+]c2ccccc21 ZINC000076901168 185053010 /nfs/dbraw/zinc/05/30/10/185053010.db2.gz AUDZHBPZDZIJLU-UHFFFAOYSA-N 2 2 315.367 3.574 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050096 185279698 /nfs/dbraw/zinc/27/96/98/185279698.db2.gz JOODKEDNLPWIAZ-HNNXBMFYSA-N 2 2 311.429 3.710 20 0 DHADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)c1cccnc1 ZINC000092719639 185336161 /nfs/dbraw/zinc/33/61/61/185336161.db2.gz DJODHNNRBQFJFD-HOCLYGCPSA-N 2 2 301.459 3.631 20 0 DHADLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000072726273 191222355 /nfs/dbraw/zinc/22/23/55/191222355.db2.gz JZOWENXPSXNKIU-UHFFFAOYSA-N 2 2 304.821 3.784 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000072858646 191241189 /nfs/dbraw/zinc/24/11/89/191241189.db2.gz VEOLWNLFAOHZET-GOSISDBHSA-N 2 2 316.489 3.588 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000072858646 191241191 /nfs/dbraw/zinc/24/11/91/191241191.db2.gz VEOLWNLFAOHZET-GOSISDBHSA-N 2 2 316.489 3.588 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000072858646 191241194 /nfs/dbraw/zinc/24/11/94/191241194.db2.gz VEOLWNLFAOHZET-GOSISDBHSA-N 2 2 316.489 3.588 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C1 ZINC000072858646 191241196 /nfs/dbraw/zinc/24/11/96/191241196.db2.gz VEOLWNLFAOHZET-GOSISDBHSA-N 2 2 316.489 3.588 20 0 DHADLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000186747363 200003052 /nfs/dbraw/zinc/00/30/52/200003052.db2.gz QQORWXCVEHJWAM-ZIAGYGMSSA-N 2 2 312.442 3.783 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000093318627 193231782 /nfs/dbraw/zinc/23/17/82/193231782.db2.gz OIERJDPXRLIINV-MJGOQNOKSA-N 2 2 311.473 3.510 20 0 DHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccn2C)CC[N@H+]1Cc1ccccc1 ZINC000093318627 193231784 /nfs/dbraw/zinc/23/17/84/193231784.db2.gz OIERJDPXRLIINV-MJGOQNOKSA-N 2 2 311.473 3.510 20 0 DHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccn2C)CC[NH+]1Cc1ccccc1 ZINC000093318627 193231786 /nfs/dbraw/zinc/23/17/86/193231786.db2.gz OIERJDPXRLIINV-MJGOQNOKSA-N 2 2 311.473 3.510 20 0 DHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccn2C)CC[NH+]1Cc1ccccc1 ZINC000093318627 193231788 /nfs/dbraw/zinc/23/17/88/193231788.db2.gz OIERJDPXRLIINV-MJGOQNOKSA-N 2 2 311.473 3.510 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338746 335014223 /nfs/dbraw/zinc/01/42/23/335014223.db2.gz CIKGSJGJVUJADH-BYCMXARLSA-N 2 2 311.267 3.569 20 0 DHADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094338746 335014225 /nfs/dbraw/zinc/01/42/25/335014225.db2.gz CIKGSJGJVUJADH-BYCMXARLSA-N 2 2 311.267 3.569 20 0 DHADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000430709693 335014335 /nfs/dbraw/zinc/01/43/35/335014335.db2.gz OKOOLYUEYWQXJX-JZXOWHBKSA-N 2 2 310.526 3.680 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000019960181 182170559 /nfs/dbraw/zinc/17/05/59/182170559.db2.gz YOHVYCOFRXFBRB-SWLSCSKDSA-N 2 2 300.368 3.840 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000019960181 182170562 /nfs/dbraw/zinc/17/05/62/182170562.db2.gz YOHVYCOFRXFBRB-SWLSCSKDSA-N 2 2 300.368 3.840 20 0 DHADLP CCSc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000274603360 130249201 /nfs/dbraw/zinc/24/92/01/130249201.db2.gz RPORSZUDNJZKJB-OAHLLOKOSA-N 2 2 301.459 3.901 20 0 DHADLP CCSc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000274603360 130249203 /nfs/dbraw/zinc/24/92/03/130249203.db2.gz RPORSZUDNJZKJB-OAHLLOKOSA-N 2 2 301.459 3.901 20 0 DHADLP Cc1cc(C[NH+](C)C)cc(NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000283847664 131028965 /nfs/dbraw/zinc/02/89/65/131028965.db2.gz HSYPROZHEJQJSP-UHFFFAOYSA-N 2 2 308.429 3.625 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)no1 ZINC000284146917 131052554 /nfs/dbraw/zinc/05/25/54/131052554.db2.gz PASLHESZCIZADC-OAHLLOKOSA-N 2 2 301.434 3.674 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)no1 ZINC000284146917 131052555 /nfs/dbraw/zinc/05/25/55/131052555.db2.gz PASLHESZCIZADC-OAHLLOKOSA-N 2 2 301.434 3.674 20 0 DHADLP FC(F)(F)c1cccc([C@H]2CCC[C@H]2[NH2+]CCn2cc[nH+]c2)c1 ZINC000284396077 131077426 /nfs/dbraw/zinc/07/74/26/131077426.db2.gz PKVAVRKLJJUWBN-HZPDHXFCSA-N 2 2 323.362 3.828 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1n1cc[nH+]c1 ZINC000285129150 131141559 /nfs/dbraw/zinc/14/15/59/131141559.db2.gz SHECGDAPMSKUCT-MAUKXSAKSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C[C@H]1n1cc[nH+]c1 ZINC000285129150 131141560 /nfs/dbraw/zinc/14/15/60/131141560.db2.gz SHECGDAPMSKUCT-MAUKXSAKSA-N 2 2 322.412 3.621 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+]CC1=CCCOC1)c1ccc(Cl)cc1 ZINC000285493747 131174282 /nfs/dbraw/zinc/17/42/82/131174282.db2.gz IUTQJSWGAUQZBA-GOSISDBHSA-N 2 2 322.880 3.659 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+]CC1=CCCOC1)c1ccc(Cl)cc1 ZINC000285493747 131174284 /nfs/dbraw/zinc/17/42/84/131174284.db2.gz IUTQJSWGAUQZBA-GOSISDBHSA-N 2 2 322.880 3.659 20 0 DHADLP Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000285616336 131186509 /nfs/dbraw/zinc/18/65/09/131186509.db2.gz XVJLXSULHFVTMB-UHFFFAOYSA-N 2 2 310.401 3.502 20 0 DHADLP Cc1ccnc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000286270220 131227261 /nfs/dbraw/zinc/22/72/61/131227261.db2.gz VIBNQDRINIGFHK-JKSUJKDBSA-N 2 2 306.413 3.988 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000286304661 131229583 /nfs/dbraw/zinc/22/95/83/131229583.db2.gz XFWBACXKUZKSED-HNNXBMFYSA-N 2 2 308.429 3.560 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000286861400 131252616 /nfs/dbraw/zinc/25/26/16/131252616.db2.gz BBNVWBBOOWQDGA-GJZGRUSLSA-N 2 2 301.459 3.666 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000287421248 131279746 /nfs/dbraw/zinc/27/97/46/131279746.db2.gz SGSBLWYUHISWKL-QKLQHJQFSA-N 2 2 309.457 3.704 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287421248 131279749 /nfs/dbraw/zinc/27/97/49/131279749.db2.gz SGSBLWYUHISWKL-QKLQHJQFSA-N 2 2 309.457 3.704 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000289048860 131354663 /nfs/dbraw/zinc/35/46/63/131354663.db2.gz BEVBLRDBASUVHK-WOJBJXKFSA-N 2 2 310.441 3.833 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCCOCCc1ccccc1 ZINC000289053674 131354753 /nfs/dbraw/zinc/35/47/53/131354753.db2.gz BNBSSXYHHOYCRF-UHFFFAOYSA-N 2 2 312.457 3.562 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000289048853 131354943 /nfs/dbraw/zinc/35/49/43/131354943.db2.gz BEVBLRDBASUVHK-UXHICEINSA-N 2 2 310.441 3.833 20 0 DHADLP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000289175434 131364168 /nfs/dbraw/zinc/36/41/68/131364168.db2.gz HXCWMWAIQPTYTE-DLBZAZTESA-N 2 2 303.494 3.850 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)cn1 ZINC000289244182 131368703 /nfs/dbraw/zinc/36/87/03/131368703.db2.gz NAFITWVOJHTJNC-AUUYWEPGSA-N 2 2 318.424 3.914 20 0 DHADLP Fc1ccc(/C=C/C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000289272242 131370156 /nfs/dbraw/zinc/37/01/56/131370156.db2.gz FGPVWRRXLSAHPE-OWOJBTEDSA-N 2 2 303.356 3.581 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccccc1OC(F)F ZINC000289595912 131399651 /nfs/dbraw/zinc/39/96/51/131399651.db2.gz IVHYTQDIXNAXBL-UHFFFAOYSA-N 2 2 320.383 3.756 20 0 DHADLP C[C@H](C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1)C[NH+](C)C ZINC000297309376 132008857 /nfs/dbraw/zinc/00/88/57/132008857.db2.gz MTVSPVUHBSKELC-CVEARBPZSA-N 2 2 313.445 3.722 20 0 DHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc2c(s1)CCC2 ZINC000163828763 132124680 /nfs/dbraw/zinc/12/46/80/132124680.db2.gz CIUPRKNOZMITDG-CYBMUJFWSA-N 2 2 301.459 3.785 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CCCO2 ZINC000163828535 132125311 /nfs/dbraw/zinc/12/53/11/132125311.db2.gz VYJUDGDOABHFFH-KRWDZBQOSA-N 2 2 311.429 3.696 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000121355450 132153911 /nfs/dbraw/zinc/15/39/11/132153911.db2.gz UUMRUWVYCHJPOJ-CYBMUJFWSA-N 2 2 317.383 3.679 20 0 DHADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@H](C)c1ccccc1OC ZINC000343315405 335066921 /nfs/dbraw/zinc/06/69/21/335066921.db2.gz PVUUBGCLMAHZEJ-MRXNPFEDSA-N 2 2 301.434 3.755 20 0 DHADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)c1ccccc1OC ZINC000343315405 335066922 /nfs/dbraw/zinc/06/69/22/335066922.db2.gz PVUUBGCLMAHZEJ-MRXNPFEDSA-N 2 2 301.434 3.755 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)C2 ZINC000151002206 196614806 /nfs/dbraw/zinc/61/48/06/196614806.db2.gz NCGQVXHVWQAWNW-CHWSQXEVSA-N 2 2 323.362 3.876 20 0 DHADLP C[C@H]1C[NH+](CCCCNc2[nH+]ccc3ccccc32)C[C@H](C)O1 ZINC000527916608 429819959 /nfs/dbraw/zinc/81/99/59/429819959.db2.gz JCUNGYCSWJOAOF-HOTGVXAUSA-N 2 2 313.445 3.536 20 0 DHADLP C[C@H](C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000525875223 335089145 /nfs/dbraw/zinc/08/91/45/335089145.db2.gz OIIXLUODAPBEGP-OAHLLOKOSA-N 2 2 309.388 3.905 20 0 DHADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000558255359 331888189 /nfs/dbraw/zinc/88/81/89/331888189.db2.gz LRKUZWFHTRGNFN-YHLLGKTKSA-N 2 2 304.478 3.502 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000128468921 332012538 /nfs/dbraw/zinc/01/25/38/332012538.db2.gz CFLUOKRYOFALOV-MRXNPFEDSA-N 2 2 303.475 3.615 20 0 DHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccccc2)n1 ZINC000128468921 332012539 /nfs/dbraw/zinc/01/25/39/332012539.db2.gz CFLUOKRYOFALOV-MRXNPFEDSA-N 2 2 303.475 3.615 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(Br)ccc1F ZINC000211903028 332091916 /nfs/dbraw/zinc/09/19/16/332091916.db2.gz BHQSDPMUKLIIFG-WDEREUQCSA-N 2 2 317.246 3.579 20 0 DHADLP Clc1cccc(Cl)c1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427100834 332167475 /nfs/dbraw/zinc/16/74/75/332167475.db2.gz OIQWGZAUHZYGIH-BLLLJJGKSA-N 2 2 313.272 3.610 20 0 DHADLP Clc1cccc(Cl)c1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427100834 332167476 /nfs/dbraw/zinc/16/74/76/332167476.db2.gz OIQWGZAUHZYGIH-BLLLJJGKSA-N 2 2 313.272 3.610 20 0 DHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426058101 335094335 /nfs/dbraw/zinc/09/43/35/335094335.db2.gz CWMAHBIBBONHBN-RDJZCZTQSA-N 2 2 316.445 3.503 20 0 DHADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426058101 335094336 /nfs/dbraw/zinc/09/43/36/335094336.db2.gz CWMAHBIBBONHBN-RDJZCZTQSA-N 2 2 316.445 3.503 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000533864849 332225297 /nfs/dbraw/zinc/22/52/97/332225297.db2.gz FSVSZNKAYLFSPO-HNNXBMFYSA-N 2 2 315.420 3.979 20 0 DHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000533864849 332225298 /nfs/dbraw/zinc/22/52/98/332225298.db2.gz FSVSZNKAYLFSPO-HNNXBMFYSA-N 2 2 315.420 3.979 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)C[N@@H+]1C1CC1 ZINC000536495351 332253355 /nfs/dbraw/zinc/25/33/55/332253355.db2.gz AQPHAFZGXBGUBX-DWQUBVKVSA-N 2 2 304.865 3.932 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(Cl)cc32)C[N@H+]1C1CC1 ZINC000536495351 332253356 /nfs/dbraw/zinc/25/33/56/332253356.db2.gz AQPHAFZGXBGUBX-DWQUBVKVSA-N 2 2 304.865 3.932 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)C[N@@H+]1C1CC1 ZINC000536495353 332253543 /nfs/dbraw/zinc/25/35/43/332253543.db2.gz AQPHAFZGXBGUBX-HNJNHCNJSA-N 2 2 304.865 3.932 20 0 DHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(Cl)cc32)C[N@H+]1C1CC1 ZINC000536495353 332253545 /nfs/dbraw/zinc/25/35/45/332253545.db2.gz AQPHAFZGXBGUBX-HNJNHCNJSA-N 2 2 304.865 3.932 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C[C@@H]1c1ccccc1 ZINC000559751711 332279027 /nfs/dbraw/zinc/27/90/27/332279027.db2.gz KTNHXLLRLRJMFD-IEBWSBKVSA-N 2 2 316.395 3.890 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C[C@@H]1c1ccccc1 ZINC000559751711 332279028 /nfs/dbraw/zinc/27/90/28/332279028.db2.gz KTNHXLLRLRJMFD-IEBWSBKVSA-N 2 2 316.395 3.890 20 0 DHADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000559773629 332280526 /nfs/dbraw/zinc/28/05/26/332280526.db2.gz BRCCRJBARYRGPD-UXHICEINSA-N 2 2 324.468 3.929 20 0 DHADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000559773629 332280528 /nfs/dbraw/zinc/28/05/28/332280528.db2.gz BRCCRJBARYRGPD-UXHICEINSA-N 2 2 324.468 3.929 20 0 DHADLP Cc1ccc(C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C(C)C)cc1 ZINC000560270394 332326152 /nfs/dbraw/zinc/32/61/52/332326152.db2.gz NPDJGFIGPWDTAV-LJQANCHMSA-N 2 2 311.473 3.885 20 0 DHADLP C[NH+](C)CCC[N@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000583408418 332391800 /nfs/dbraw/zinc/39/18/00/332391800.db2.gz WSOKLFBTIDZCIB-UHFFFAOYSA-N 2 2 323.893 3.847 20 0 DHADLP C[NH+](C)CCC[N@@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000583408418 332391801 /nfs/dbraw/zinc/39/18/01/332391801.db2.gz WSOKLFBTIDZCIB-UHFFFAOYSA-N 2 2 323.893 3.847 20 0 DHADLP CC(C)COc1ccccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000561170580 332419459 /nfs/dbraw/zinc/41/94/59/332419459.db2.gz KASSDORDQLCDCC-UHFFFAOYSA-N 2 2 304.478 3.684 20 0 DHADLP C([NH2+]C1CC2(CCC2)C1)C1([NH+]2CCSCC2)CCCCC1 ZINC000448072216 332490727 /nfs/dbraw/zinc/49/07/27/332490727.db2.gz ZTYBHJQLQVGTBV-UHFFFAOYSA-N 2 2 308.535 3.660 20 0 DHADLP Clc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427852148 332541753 /nfs/dbraw/zinc/54/17/53/332541753.db2.gz DYFYWRJPXSIYJO-IKGGRYGDSA-N 2 2 315.848 3.777 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCC[C@H]1CCc1ccccc1)CC2 ZINC000427853118 332542008 /nfs/dbraw/zinc/54/20/08/332542008.db2.gz HEVZSNSDATUOFP-FHWLQOOXSA-N 2 2 309.457 3.589 20 0 DHADLP CCSc1ccccc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427868425 332550131 /nfs/dbraw/zinc/55/01/31/332550131.db2.gz AMWXGSDLUYWKJE-KBPBESRZSA-N 2 2 301.459 3.661 20 0 DHADLP Fc1ccc(C2=CC[C@H]([NH2+][C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000427870698 332551343 /nfs/dbraw/zinc/55/13/43/332551343.db2.gz IZEOPMURHWPTGI-ROUUACIJSA-N 2 2 311.404 3.563 20 0 DHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1nc(-c2ccccc2)cs1 ZINC000427880240 332553212 /nfs/dbraw/zinc/55/32/12/332553212.db2.gz ZZACGOULOQQDSB-HIFRSBDPSA-N 2 2 324.453 3.672 20 0 DHADLP C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427887402 332555347 /nfs/dbraw/zinc/55/53/47/332555347.db2.gz AWYPUXUVSSMKLK-HYLHYLHVSA-N 2 2 313.489 3.783 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCS2 ZINC000427891061 332556519 /nfs/dbraw/zinc/55/65/19/332556519.db2.gz KYHNRAFPDZELRT-ZBFHGGJFSA-N 2 2 313.470 3.641 20 0 DHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000427891683 332556797 /nfs/dbraw/zinc/55/67/97/332556797.db2.gz DZOIZXAPCRQMFT-HKUYNNGSSA-N 2 2 309.457 3.989 20 0 DHADLP C[C@H]([NH2+]CC1Cc2ccccc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000562805778 332628120 /nfs/dbraw/zinc/62/81/20/332628120.db2.gz LBEPAPIJKQQZGQ-INIZCTEOSA-N 2 2 317.436 3.938 20 0 DHADLP C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178111141 333001687 /nfs/dbraw/zinc/00/16/87/333001687.db2.gz DOXBBWYQNIRKHM-QAPCUYQASA-N 2 2 319.408 3.527 20 0 DHADLP CC(C)OCCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180461543 333027803 /nfs/dbraw/zinc/02/78/03/333027803.db2.gz OVKDVYVHONMXDH-INIZCTEOSA-N 2 2 301.434 3.728 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000378870586 333058668 /nfs/dbraw/zinc/05/86/68/333058668.db2.gz MPZWQPWRBGOBCV-PXNSSMCTSA-N 2 2 324.468 3.577 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000378870586 333058669 /nfs/dbraw/zinc/05/86/69/333058669.db2.gz MPZWQPWRBGOBCV-PXNSSMCTSA-N 2 2 324.468 3.577 20 0 DHADLP Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])cs2)cc1 ZINC000261926304 333201066 /nfs/dbraw/zinc/20/10/66/333201066.db2.gz IOZYXGLOFDWZRA-QGZVFWFLSA-N 2 2 315.486 3.822 20 0 DHADLP Cc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CC[NH3+])cs2)cc1 ZINC000261926304 333201068 /nfs/dbraw/zinc/20/10/68/333201068.db2.gz IOZYXGLOFDWZRA-QGZVFWFLSA-N 2 2 315.486 3.822 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c[nH+]1 ZINC000343337063 335123247 /nfs/dbraw/zinc/12/32/47/335123247.db2.gz ABJLFOLEKOCIEW-PMACEKPBSA-N 2 2 310.441 3.690 20 0 DHADLP COCc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000310259074 333230085 /nfs/dbraw/zinc/23/00/85/333230085.db2.gz YZQPQTCUVZEUPF-UTKZUKDTSA-N 2 2 324.468 3.586 20 0 DHADLP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000310259074 333230086 /nfs/dbraw/zinc/23/00/86/333230086.db2.gz YZQPQTCUVZEUPF-UTKZUKDTSA-N 2 2 324.468 3.586 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000500434113 333241934 /nfs/dbraw/zinc/24/19/34/333241934.db2.gz PSKPHBONZXGBGQ-CRAIPNDOSA-N 2 2 322.443 3.922 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCC(F)(F)CC1 ZINC000500434113 333241936 /nfs/dbraw/zinc/24/19/36/333241936.db2.gz PSKPHBONZXGBGQ-CRAIPNDOSA-N 2 2 322.443 3.922 20 0 DHADLP Fc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000390530138 333291724 /nfs/dbraw/zinc/29/17/24/333291724.db2.gz LNEQJGYSZWKRCQ-GOSISDBHSA-N 2 2 316.395 3.719 20 0 DHADLP Fc1ccc(F)c(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000390530138 333291725 /nfs/dbraw/zinc/29/17/25/333291725.db2.gz LNEQJGYSZWKRCQ-GOSISDBHSA-N 2 2 316.395 3.719 20 0 DHADLP Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000518790903 333292011 /nfs/dbraw/zinc/29/20/11/333292011.db2.gz QPAOARPMKMRURA-SFHVURJKSA-N 2 2 318.424 3.565 20 0 DHADLP Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000518790903 333292013 /nfs/dbraw/zinc/29/20/13/333292013.db2.gz QPAOARPMKMRURA-SFHVURJKSA-N 2 2 318.424 3.565 20 0 DHADLP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000390589978 333304499 /nfs/dbraw/zinc/30/44/99/333304499.db2.gz QJXRRYVGLJAJEY-IAGOWNOFSA-N 2 2 312.457 3.866 20 0 DHADLP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000390589978 333304501 /nfs/dbraw/zinc/30/45/01/333304501.db2.gz QJXRRYVGLJAJEY-IAGOWNOFSA-N 2 2 312.457 3.866 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(C)C)C[C@H]1C ZINC000531382306 333347746 /nfs/dbraw/zinc/34/77/46/333347746.db2.gz SDRCQHPERKQPPH-AEFFLSMTSA-N 2 2 304.478 3.778 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(C)C)C[C@H]1C ZINC000531382306 333347747 /nfs/dbraw/zinc/34/77/47/333347747.db2.gz SDRCQHPERKQPPH-AEFFLSMTSA-N 2 2 304.478 3.778 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OC(C)C)C[C@H]1C ZINC000531382306 333347748 /nfs/dbraw/zinc/34/77/48/333347748.db2.gz SDRCQHPERKQPPH-AEFFLSMTSA-N 2 2 304.478 3.778 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OC(C)C)C[C@H]1C ZINC000531382306 333347749 /nfs/dbraw/zinc/34/77/49/333347749.db2.gz SDRCQHPERKQPPH-AEFFLSMTSA-N 2 2 304.478 3.778 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000186712598 333377111 /nfs/dbraw/zinc/37/71/11/333377111.db2.gz VQQYNAKWOCQXPZ-AWEZNQCLSA-N 2 2 311.404 3.705 20 0 DHADLP c1cncc(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)c2)c1 ZINC000563131647 333395448 /nfs/dbraw/zinc/39/54/48/333395448.db2.gz BFVWMHMYCGWIMZ-RTWAWAEBSA-N 2 2 321.468 3.855 20 0 DHADLP c1cncc(-c2cccc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)c2)c1 ZINC000563131647 333395449 /nfs/dbraw/zinc/39/54/49/333395449.db2.gz BFVWMHMYCGWIMZ-RTWAWAEBSA-N 2 2 321.468 3.855 20 0 DHADLP Clc1cccc(Cl)c1CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000563136390 333396305 /nfs/dbraw/zinc/39/63/05/333396305.db2.gz PMXGDSXCKREQKD-INIZCTEOSA-N 2 2 313.272 3.611 20 0 DHADLP Clc1cccc(Cl)c1CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000563136390 333396306 /nfs/dbraw/zinc/39/63/06/333396306.db2.gz PMXGDSXCKREQKD-INIZCTEOSA-N 2 2 313.272 3.611 20 0 DHADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000122974866 333465166 /nfs/dbraw/zinc/46/51/66/333465166.db2.gz UKMFKSOAUHCPMX-HNNXBMFYSA-N 2 2 320.477 3.619 20 0 DHADLP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(OC)cc1 ZINC000531684707 333540730 /nfs/dbraw/zinc/54/07/30/333540730.db2.gz RLRSHDBPZSVYDC-SFHVURJKSA-N 2 2 301.434 3.803 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)c(F)c1 ZINC000534328894 333577191 /nfs/dbraw/zinc/57/71/91/333577191.db2.gz SBXBBTZZXWDAQS-GFCCVEGCSA-N 2 2 321.827 3.905 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)n1C ZINC000571106726 333662186 /nfs/dbraw/zinc/66/21/86/333662186.db2.gz OXLLFTYWPLKXBF-UHFFFAOYSA-N 2 2 323.362 3.569 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)n1C ZINC000571582562 333817582 /nfs/dbraw/zinc/81/75/82/333817582.db2.gz UDVRXZVTVXOHIP-SFHVURJKSA-N 2 2 301.409 3.889 20 0 DHADLP Clc1cccc([C@H]2CCC[C@H]([NH2+]CCn3cc[nH+]c3)C2)c1 ZINC000414073079 333891609 /nfs/dbraw/zinc/89/16/09/333891609.db2.gz VOPXJOZPHVSQFJ-RDJZCZTQSA-N 2 2 303.837 3.853 20 0 DHADLP Cn1c[nH+]c(CC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000414123153 333898375 /nfs/dbraw/zinc/89/83/75/333898375.db2.gz JFPKOSCUOGIIPG-HOCLYGCPSA-N 2 2 303.837 3.542 20 0 DHADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)n1C ZINC000414309663 333937135 /nfs/dbraw/zinc/93/71/35/333937135.db2.gz VIZZPRIHQVJAGI-SFHVURJKSA-N 2 2 312.461 3.507 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3cnccc3C(C)(C)C)n2c1 ZINC000414500826 333999178 /nfs/dbraw/zinc/99/91/78/333999178.db2.gz QTBOLLJHDYRPRB-UHFFFAOYSA-N 2 2 308.429 3.625 20 0 DHADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000414740046 334079372 /nfs/dbraw/zinc/07/93/72/334079372.db2.gz CXNYDYMBXMCJHO-HIFRSBDPSA-N 2 2 319.424 3.520 20 0 DHADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000414740046 334079373 /nfs/dbraw/zinc/07/93/73/334079373.db2.gz CXNYDYMBXMCJHO-HIFRSBDPSA-N 2 2 319.424 3.520 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000343508711 335172945 /nfs/dbraw/zinc/17/29/45/335172945.db2.gz JJNOSINKASJYDE-BEFAXECRSA-N 2 2 316.489 3.714 20 0 DHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414816442 334106546 /nfs/dbraw/zinc/10/65/46/334106546.db2.gz WXSJSUXBMRNRCS-UHFFFAOYSA-N 2 2 320.525 3.657 20 0 DHADLP Cc1cc(Br)ccc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414825400 334109236 /nfs/dbraw/zinc/10/92/36/334109236.db2.gz CDNKHGWKBJWTTB-INIZCTEOSA-N 2 2 319.246 3.547 20 0 DHADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414830713 334110525 /nfs/dbraw/zinc/11/05/25/334110525.db2.gz MIKXQPOOCIWAJM-CXAGYDPISA-N 2 2 322.374 3.926 20 0 DHADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414830718 334110572 /nfs/dbraw/zinc/11/05/72/334110572.db2.gz MIKXQPOOCIWAJM-GUYCJALGSA-N 2 2 322.374 3.926 20 0 DHADLP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343603017 335176420 /nfs/dbraw/zinc/17/64/20/335176420.db2.gz GAXLHIGEALSZMY-KBPBESRZSA-N 2 2 316.342 3.561 20 0 DHADLP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343603017 335176421 /nfs/dbraw/zinc/17/64/21/335176421.db2.gz GAXLHIGEALSZMY-KBPBESRZSA-N 2 2 316.342 3.561 20 0 DHADLP [NH3+][C@H](C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000414842815 334112981 /nfs/dbraw/zinc/11/29/81/334112981.db2.gz ZOXRHHQTOLJHMY-OAHLLOKOSA-N 2 2 312.310 3.634 20 0 DHADLP Cc1nc2ccccn2c1C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414847048 334118614 /nfs/dbraw/zinc/11/86/14/334118614.db2.gz NXRJEVUXJAYBGQ-SFHVURJKSA-N 2 2 322.456 3.556 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc3c2NCC3)cc1 ZINC000414848521 334120512 /nfs/dbraw/zinc/12/05/12/334120512.db2.gz PYGAQZONAHKJEU-IBGZPJMESA-N 2 2 309.457 3.568 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)cc1C(F)(F)F ZINC000343614093 335177351 /nfs/dbraw/zinc/17/73/51/335177351.db2.gz ITNRRJUOKGOXHV-UHFFFAOYSA-N 2 2 318.358 3.762 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)cc1C(F)(F)F ZINC000343614093 335177352 /nfs/dbraw/zinc/17/73/52/335177352.db2.gz ITNRRJUOKGOXHV-UHFFFAOYSA-N 2 2 318.358 3.762 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414865608 334135737 /nfs/dbraw/zinc/13/57/37/334135737.db2.gz ZGGNNMXSKNDGGP-GOEBONIOSA-N 2 2 315.486 3.596 20 0 DHADLP CC[NH2+]Cc1cccc(NCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000414873633 334144004 /nfs/dbraw/zinc/14/40/04/334144004.db2.gz XHHJILVLMCKZGP-UHFFFAOYSA-N 2 2 320.440 3.653 20 0 DHADLP Clc1cccc(Cl)c1C1([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000343591272 335179991 /nfs/dbraw/zinc/17/99/91/335179991.db2.gz XXRSDSGPYYNODW-UHFFFAOYSA-N 2 2 310.228 3.859 20 0 DHADLP COc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1Cl ZINC000290224992 334171803 /nfs/dbraw/zinc/17/18/03/334171803.db2.gz FJBQLLRHVXMLEN-UHFFFAOYSA-N 2 2 304.821 3.774 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[NH2+]1 ZINC000414957719 334210045 /nfs/dbraw/zinc/21/00/45/334210045.db2.gz WIRYULFKXRUUSB-SKDRFNHKSA-N 2 2 306.759 3.589 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000415044333 334261150 /nfs/dbraw/zinc/26/11/50/334261150.db2.gz BRLBCLOJRZICRJ-LJQANCHMSA-N 2 2 324.424 3.793 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000415066215 334262367 /nfs/dbraw/zinc/26/23/67/334262367.db2.gz OELPGLCJMCRACX-INIZCTEOSA-N 2 2 317.502 3.793 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])C3CCCC3)cs2)cc1 ZINC000415063978 334262414 /nfs/dbraw/zinc/26/24/14/334262414.db2.gz JLZOETICFZMKTC-QGZVFWFLSA-N 2 2 315.486 3.726 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnc(CC(C)C)s1 ZINC000415068185 334262637 /nfs/dbraw/zinc/26/26/37/334262637.db2.gz QMFUZVGLXWKGEW-KRWDZBQOSA-N 2 2 317.502 3.694 20 0 DHADLP c1sc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1C1CC1 ZINC000415075921 334267099 /nfs/dbraw/zinc/26/70/99/334267099.db2.gz FZDLEFAYSCQTTQ-HZPDHXFCSA-N 2 2 313.470 3.603 20 0 DHADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000415114998 334283568 /nfs/dbraw/zinc/28/35/68/334283568.db2.gz YDPSYVRQIXHNSF-CHWSQXEVSA-N 2 2 319.449 3.569 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000531946939 334305186 /nfs/dbraw/zinc/30/51/86/334305186.db2.gz WTJXSPYZULPYMV-BRWVUGGUSA-N 2 2 304.478 3.509 20 0 DHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000531946939 334305188 /nfs/dbraw/zinc/30/51/88/334305188.db2.gz WTJXSPYZULPYMV-BRWVUGGUSA-N 2 2 304.478 3.509 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000531963059 334320920 /nfs/dbraw/zinc/32/09/20/334320920.db2.gz YPMWDPVAVPJUAS-WQVCFCJDSA-N 2 2 314.395 3.942 20 0 DHADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000531963059 334320922 /nfs/dbraw/zinc/32/09/22/334320922.db2.gz YPMWDPVAVPJUAS-WQVCFCJDSA-N 2 2 314.395 3.942 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000534753185 334336771 /nfs/dbraw/zinc/33/67/71/334336771.db2.gz GNVFJQSJCZFBOL-DLBZAZTESA-N 2 2 324.921 3.914 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000534753185 334336773 /nfs/dbraw/zinc/33/67/73/334336773.db2.gz GNVFJQSJCZFBOL-DLBZAZTESA-N 2 2 324.921 3.914 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000534753185 334336775 /nfs/dbraw/zinc/33/67/75/334336775.db2.gz GNVFJQSJCZFBOL-DLBZAZTESA-N 2 2 324.921 3.914 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000534753185 334336776 /nfs/dbraw/zinc/33/67/76/334336776.db2.gz GNVFJQSJCZFBOL-DLBZAZTESA-N 2 2 324.921 3.914 20 0 DHADLP CC(C)c1cc(N2CCC[N@@H+](C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000534880876 334342999 /nfs/dbraw/zinc/34/29/99/334342999.db2.gz AYAZDHVZDXQJKB-UHFFFAOYSA-N 2 2 304.482 3.644 20 0 DHADLP CC(C)c1cc(N2CCC[N@H+](C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000534880876 334343000 /nfs/dbraw/zinc/34/30/00/334343000.db2.gz AYAZDHVZDXQJKB-UHFFFAOYSA-N 2 2 304.482 3.644 20 0 DHADLP Cc1cc[nH+]cc1N1CC[NH+]([C@H](C)CCc2ccccc2)CC1 ZINC000534975588 334351358 /nfs/dbraw/zinc/35/13/58/334351358.db2.gz GKJBWGLVGNXAJC-GOSISDBHSA-N 2 2 309.457 3.533 20 0 DHADLP Clc1cccc2c1CC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000531989110 334365035 /nfs/dbraw/zinc/36/50/35/334365035.db2.gz DXTJVFKMIQLAHZ-KRWDZBQOSA-N 2 2 311.816 3.807 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000430582123 334396623 /nfs/dbraw/zinc/39/66/23/334396623.db2.gz KEEOYLVECVJRCA-ZFWWWQNUSA-N 2 2 307.507 3.750 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000430582123 334396625 /nfs/dbraw/zinc/39/66/25/334396625.db2.gz KEEOYLVECVJRCA-ZFWWWQNUSA-N 2 2 307.507 3.750 20 0 DHADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]C1Cc2ccccc2C1)[NH+](C)C ZINC000443205681 338447228 /nfs/dbraw/zinc/44/72/28/338447228.db2.gz UFMVBZSVZDKDCW-HRAATJIYSA-N 2 2 308.469 3.743 20 0 DHADLP C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000417409282 334864173 /nfs/dbraw/zinc/86/41/73/334864173.db2.gz VFZNNPMLPNUQMO-FOIQADDNSA-N 2 2 319.408 3.794 20 0 DHADLP c1nc(C2CCCC2)sc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000343776567 335192294 /nfs/dbraw/zinc/19/22/94/335192294.db2.gz ZUQRLROKGQYVJF-UHFFFAOYSA-N 2 2 319.518 3.907 20 0 DHADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343866015 335198721 /nfs/dbraw/zinc/19/87/21/335198721.db2.gz SHRKYYXGJPOUIJ-QWRGUYRKSA-N 2 2 321.412 3.544 20 0 DHADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000343866015 335198722 /nfs/dbraw/zinc/19/87/22/335198722.db2.gz SHRKYYXGJPOUIJ-QWRGUYRKSA-N 2 2 321.412 3.544 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCC2 ZINC000344036880 335211147 /nfs/dbraw/zinc/21/11/47/335211147.db2.gz VOPDXPMQKBBGIR-GOSISDBHSA-N 2 2 309.388 3.683 20 0 DHADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]Cc1cc[nH]c1 ZINC000344474174 335251856 /nfs/dbraw/zinc/25/18/56/335251856.db2.gz YJTPQACLNYOZNT-LJQANCHMSA-N 2 2 311.473 3.577 20 0 DHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]Cc1cc[nH]c1 ZINC000344474174 335251857 /nfs/dbraw/zinc/25/18/57/335251857.db2.gz YJTPQACLNYOZNT-LJQANCHMSA-N 2 2 311.473 3.577 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000344510182 335257810 /nfs/dbraw/zinc/25/78/10/335257810.db2.gz CRGGXKQLAKVSSW-JKSUJKDBSA-N 2 2 310.526 3.680 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000345170732 335304606 /nfs/dbraw/zinc/30/46/06/335304606.db2.gz IIXOODRCUPCJIN-FVJLSDCUSA-N 2 2 324.468 3.665 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000345170732 335304607 /nfs/dbraw/zinc/30/46/07/335304607.db2.gz IIXOODRCUPCJIN-FVJLSDCUSA-N 2 2 324.468 3.665 20 0 DHADLP CC[C@H]1CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346128165 335376944 /nfs/dbraw/zinc/37/69/44/335376944.db2.gz DILCBVZQQPDRQP-AWEZNQCLSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@H]1CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000346128165 335376946 /nfs/dbraw/zinc/37/69/46/335376946.db2.gz DILCBVZQQPDRQP-AWEZNQCLSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@H]1CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000346128165 335376947 /nfs/dbraw/zinc/37/69/47/335376947.db2.gz DILCBVZQQPDRQP-AWEZNQCLSA-N 2 2 307.507 3.532 20 0 DHADLP CC[C@H]1CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000346128165 335376948 /nfs/dbraw/zinc/37/69/48/335376948.db2.gz DILCBVZQQPDRQP-AWEZNQCLSA-N 2 2 307.507 3.532 20 0 DHADLP CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H]1CCCCO1 ZINC000346134990 335379952 /nfs/dbraw/zinc/37/99/52/335379952.db2.gz FRDZRYMNIWOFEC-INIZCTEOSA-N 2 2 319.474 3.715 20 0 DHADLP CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H]1CCCCO1 ZINC000346134990 335379953 /nfs/dbraw/zinc/37/99/53/335379953.db2.gz FRDZRYMNIWOFEC-INIZCTEOSA-N 2 2 319.474 3.715 20 0 DHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1Cc2ccccc2C1 ZINC000346139203 335380255 /nfs/dbraw/zinc/38/02/55/335380255.db2.gz KVDHMZQCTRDXKY-UHFFFAOYSA-N 2 2 309.438 3.533 20 0 DHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1Cc2ccccc2C1 ZINC000346139203 335380257 /nfs/dbraw/zinc/38/02/57/335380257.db2.gz KVDHMZQCTRDXKY-UHFFFAOYSA-N 2 2 309.438 3.533 20 0 DHADLP CCCCOC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346189911 335388111 /nfs/dbraw/zinc/38/81/11/335388111.db2.gz AIOHMKOECSXALP-UHFFFAOYSA-N 2 2 319.474 3.715 20 0 DHADLP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346200187 335389571 /nfs/dbraw/zinc/38/95/71/335389571.db2.gz LMFPWQQOYWVBCX-HZPDHXFCSA-N 2 2 319.474 3.569 20 0 DHADLP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C1(C)C ZINC000346200187 335389572 /nfs/dbraw/zinc/38/95/72/335389572.db2.gz LMFPWQQOYWVBCX-HZPDHXFCSA-N 2 2 319.474 3.569 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000346284901 335392578 /nfs/dbraw/zinc/39/25/78/335392578.db2.gz YQPKIUYWVBVKNH-KRWDZBQOSA-N 2 2 305.372 3.697 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000346284901 335392580 /nfs/dbraw/zinc/39/25/80/335392580.db2.gz YQPKIUYWVBVKNH-KRWDZBQOSA-N 2 2 305.372 3.697 20 0 DHADLP C[C@H](C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)c1nccs1 ZINC000346265522 335396257 /nfs/dbraw/zinc/39/62/57/335396257.db2.gz HKKFPXYSTLKIPN-GFCCVEGCSA-N 2 2 318.471 3.626 20 0 DHADLP C[C@H](C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)c1nccs1 ZINC000346265522 335396259 /nfs/dbraw/zinc/39/62/59/335396259.db2.gz HKKFPXYSTLKIPN-GFCCVEGCSA-N 2 2 318.471 3.626 20 0 DHADLP C[C@H]1CC[C@@]2(CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)C1 ZINC000346353738 335397329 /nfs/dbraw/zinc/39/73/29/335397329.db2.gz MTJLZARUVUQWTH-WMLDXEAASA-N 2 2 301.459 3.946 20 0 DHADLP C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)C1 ZINC000346353738 335397330 /nfs/dbraw/zinc/39/73/30/335397330.db2.gz MTJLZARUVUQWTH-WMLDXEAASA-N 2 2 301.459 3.946 20 0 DHADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccco2)c1 ZINC000346313464 335398908 /nfs/dbraw/zinc/39/89/08/335398908.db2.gz QTIJZPVJAAIKAP-UHFFFAOYSA-N 2 2 315.804 3.832 20 0 DHADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccco2)c1 ZINC000346313464 335398909 /nfs/dbraw/zinc/39/89/09/335398909.db2.gz QTIJZPVJAAIKAP-UHFFFAOYSA-N 2 2 315.804 3.832 20 0 DHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)CC1 ZINC000366968221 335459549 /nfs/dbraw/zinc/45/95/49/335459549.db2.gz CRIUZUQREUWJGB-WONLBRTQSA-N 2 2 316.411 3.570 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(c3ccccc3)CC2)s1 ZINC000347654288 335517910 /nfs/dbraw/zinc/51/79/10/335517910.db2.gz ROUNBWFCASDSBK-UHFFFAOYSA-N 2 2 315.486 3.584 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH+]2CCC3(CCCCC3)CC2)s1 ZINC000347771355 335523904 /nfs/dbraw/zinc/52/39/04/335523904.db2.gz JFGLRHVRRKCDAP-UHFFFAOYSA-N 2 2 307.507 3.751 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348240538 335566300 /nfs/dbraw/zinc/56/63/00/335566300.db2.gz ILABUMHYZVHUOY-ROUUACIJSA-N 2 2 305.425 3.738 20 0 DHADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3nc4ccccc4s3)n2c1 ZINC000348902399 335617308 /nfs/dbraw/zinc/61/73/08/335617308.db2.gz CCCHDGKDQRLLKR-UHFFFAOYSA-N 2 2 322.437 3.585 20 0 DHADLP C[C@@H]1CCC[C@H](CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000114851169 335824568 /nfs/dbraw/zinc/82/45/68/335824568.db2.gz IMGMQCRLENMSJC-IAGOWNOFSA-N 2 2 301.478 3.856 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(C)(C)C)n2)C[C@H]1C ZINC000351685852 336058220 /nfs/dbraw/zinc/05/82/20/336058220.db2.gz GRCJQECVVLWDAA-NVXWUHKLSA-N 2 2 319.493 3.564 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(C)(C)C)n2)C[C@H]1C ZINC000351685852 336058221 /nfs/dbraw/zinc/05/82/21/336058221.db2.gz GRCJQECVVLWDAA-NVXWUHKLSA-N 2 2 319.493 3.564 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC(C)(C)C)n2)C[C@H]1C ZINC000351685852 336058222 /nfs/dbraw/zinc/05/82/22/336058222.db2.gz GRCJQECVVLWDAA-NVXWUHKLSA-N 2 2 319.493 3.564 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC(C)(C)C)n2)C[C@H]1C ZINC000351685852 336058223 /nfs/dbraw/zinc/05/82/23/336058223.db2.gz GRCJQECVVLWDAA-NVXWUHKLSA-N 2 2 319.493 3.564 20 0 DHADLP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000351776378 336068466 /nfs/dbraw/zinc/06/84/66/336068466.db2.gz ZMLXUEJJKDIIRA-RHSMWYFYSA-N 2 2 303.837 3.928 20 0 DHADLP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000351776378 336068467 /nfs/dbraw/zinc/06/84/67/336068467.db2.gz ZMLXUEJJKDIIRA-RHSMWYFYSA-N 2 2 303.837 3.928 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000351849397 336073361 /nfs/dbraw/zinc/07/33/61/336073361.db2.gz GPDKLGAFCYZCNZ-DGCLKSJQSA-N 2 2 321.877 3.633 20 0 DHADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000351849397 336073363 /nfs/dbraw/zinc/07/33/63/336073363.db2.gz GPDKLGAFCYZCNZ-DGCLKSJQSA-N 2 2 321.877 3.633 20 0 DHADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352018898 336189228 /nfs/dbraw/zinc/18/92/28/336189228.db2.gz BYQFCXKPPJTDDD-HNNXBMFYSA-N 2 2 306.400 3.538 20 0 DHADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352018898 336189229 /nfs/dbraw/zinc/18/92/29/336189229.db2.gz BYQFCXKPPJTDDD-HNNXBMFYSA-N 2 2 306.400 3.538 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352018898 336189231 /nfs/dbraw/zinc/18/92/31/336189231.db2.gz BYQFCXKPPJTDDD-HNNXBMFYSA-N 2 2 306.400 3.538 20 0 DHADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352018898 336189233 /nfs/dbraw/zinc/18/92/33/336189233.db2.gz BYQFCXKPPJTDDD-HNNXBMFYSA-N 2 2 306.400 3.538 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCSc3ccccc32)s1 ZINC000352252242 336207126 /nfs/dbraw/zinc/20/71/26/336207126.db2.gz XRRKIMYCXMZALO-AWEZNQCLSA-N 2 2 319.499 3.531 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000352350229 336213529 /nfs/dbraw/zinc/21/35/29/336213529.db2.gz PPLLZZOIOJQVQY-UHFFFAOYSA-N 2 2 318.367 3.712 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000352357626 336214011 /nfs/dbraw/zinc/21/40/11/336214011.db2.gz OGJFCEFMVVGMRP-UHFFFAOYSA-N 2 2 318.367 3.712 20 0 DHADLP Clc1cc2c(s1)CC[C@@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000352473910 336220989 /nfs/dbraw/zinc/22/09/89/336220989.db2.gz ZKMPUFWKEZNICW-LBPRGKRZSA-N 2 2 303.818 3.826 20 0 DHADLP Clc1oc2ccccc2c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352545221 336223674 /nfs/dbraw/zinc/22/36/74/336223674.db2.gz HHQKLBKBUUICKC-KRWDZBQOSA-N 2 2 304.821 3.662 20 0 DHADLP Clc1oc2ccccc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352545221 336223675 /nfs/dbraw/zinc/22/36/75/336223675.db2.gz HHQKLBKBUUICKC-KRWDZBQOSA-N 2 2 304.821 3.662 20 0 DHADLP CC[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(F)cn1 ZINC000352558730 336224595 /nfs/dbraw/zinc/22/45/95/336224595.db2.gz ZAPMOSBOCDUBTA-AWEZNQCLSA-N 2 2 312.392 3.771 20 0 DHADLP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cn1 ZINC000352558101 336224619 /nfs/dbraw/zinc/22/46/19/336224619.db2.gz UTUVNENRXGBKOI-SFHVURJKSA-N 2 2 324.403 3.706 20 0 DHADLP Cc1cccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1C ZINC000352760152 336233432 /nfs/dbraw/zinc/23/34/32/336233432.db2.gz NZZPLOBVBCLOST-CQSZACIVSA-N 2 2 303.475 3.672 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)s1 ZINC000352813014 336246541 /nfs/dbraw/zinc/24/65/41/336246541.db2.gz IKUKQHYLLMPPJY-UHFFFAOYSA-N 2 2 323.893 3.883 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000532487176 336251886 /nfs/dbraw/zinc/25/18/86/336251886.db2.gz HPDOZGRXUQNIHZ-GLJUWKHASA-N 2 2 304.503 3.932 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000532487176 336251887 /nfs/dbraw/zinc/25/18/87/336251887.db2.gz HPDOZGRXUQNIHZ-GLJUWKHASA-N 2 2 304.503 3.932 20 0 DHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000532503832 336252583 /nfs/dbraw/zinc/25/25/83/336252583.db2.gz PBPPRNNXMKMUIL-RYQLBKOJSA-N 2 2 314.498 3.880 20 0 DHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000532503832 336252584 /nfs/dbraw/zinc/25/25/84/336252584.db2.gz PBPPRNNXMKMUIL-RYQLBKOJSA-N 2 2 314.498 3.880 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)[C@@]1(C)CCCO1)c1ccccc1 ZINC000580352338 336258938 /nfs/dbraw/zinc/25/89/38/336258938.db2.gz PUKWPZHBROVFNW-TXPKVOOTSA-N 2 2 304.478 3.663 20 0 DHADLP Cc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC000352830990 336268890 /nfs/dbraw/zinc/26/88/90/336268890.db2.gz LEHYHWXINOOHSA-UHFFFAOYSA-N 2 2 319.408 3.575 20 0 DHADLP Cc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC000352830990 336268891 /nfs/dbraw/zinc/26/88/91/336268891.db2.gz LEHYHWXINOOHSA-UHFFFAOYSA-N 2 2 319.408 3.575 20 0 DHADLP CC[N@H+](C)Cc1cccc(CNc2cc(C)[nH+]c(C(C)C)n2)c1 ZINC000301223318 336295544 /nfs/dbraw/zinc/29/55/44/336295544.db2.gz DOKMWHMWDVFLTM-UHFFFAOYSA-N 2 2 312.461 3.972 20 0 DHADLP CC[N@@H+](C)Cc1cccc(CNc2cc(C)[nH+]c(C(C)C)n2)c1 ZINC000301223318 336295545 /nfs/dbraw/zinc/29/55/45/336295545.db2.gz DOKMWHMWDVFLTM-UHFFFAOYSA-N 2 2 312.461 3.972 20 0 DHADLP Cc1cc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nc[nH+]1 ZINC000301267734 336297688 /nfs/dbraw/zinc/29/76/88/336297688.db2.gz UPHLAWIGRVIWMW-MRXNPFEDSA-N 2 2 310.445 3.772 20 0 DHADLP Cc1cc(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nc[nH+]1 ZINC000301267734 336297689 /nfs/dbraw/zinc/29/76/89/336297689.db2.gz UPHLAWIGRVIWMW-MRXNPFEDSA-N 2 2 310.445 3.772 20 0 DHADLP c1cc(NC2CC[NH+](C3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000301455231 336307844 /nfs/dbraw/zinc/30/78/44/336307844.db2.gz BPODEOQRLONCMI-UHFFFAOYSA-N 2 2 300.450 3.563 20 0 DHADLP Cc1cccc(N2CCC(Nc3cc[nH+]cc3Cl)CC2)[nH+]1 ZINC000301502593 336310862 /nfs/dbraw/zinc/31/08/62/336310862.db2.gz HEYVJNPHQWGQKF-UHFFFAOYSA-N 2 2 302.809 3.519 20 0 DHADLP Cc1ccc(N2CCC(Nc3cc[nH+]cc3Cl)CC2)[nH+]c1 ZINC000301559879 336314943 /nfs/dbraw/zinc/31/49/43/336314943.db2.gz OKFYCSZXQBXYJI-UHFFFAOYSA-N 2 2 302.809 3.519 20 0 DHADLP Clc1cccc(C[NH+]2CCN(c3cc[nH+]cc3Cl)CC2)c1 ZINC000301603286 336317787 /nfs/dbraw/zinc/31/77/87/336317787.db2.gz WYVYUFCRLQRGLW-UHFFFAOYSA-N 2 2 322.239 3.711 20 0 DHADLP Cc1cc(NC2CC[NH+](C(C)C)CC2)c2cccc(F)c2[nH+]1 ZINC000301696058 336324054 /nfs/dbraw/zinc/32/40/54/336324054.db2.gz YUMWTBRAMHVZIT-UHFFFAOYSA-N 2 2 301.409 3.967 20 0 DHADLP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2cccc(F)c2[nH+]1 ZINC000301700105 336324250 /nfs/dbraw/zinc/32/42/50/336324250.db2.gz FJPPGMDIRKTPFU-YOEHRIQHSA-N 2 2 313.420 3.603 20 0 DHADLP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2cccc(F)c2[nH+]1 ZINC000301700105 336324251 /nfs/dbraw/zinc/32/42/51/336324251.db2.gz FJPPGMDIRKTPFU-YOEHRIQHSA-N 2 2 313.420 3.603 20 0 DHADLP CCc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c2ccccc2[nH+]1 ZINC000301770483 336328804 /nfs/dbraw/zinc/32/88/04/336328804.db2.gz KJUGQJUKTYTKQE-INIZCTEOSA-N 2 2 318.424 3.883 20 0 DHADLP Cc1[nH+]ccn1-c1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1F ZINC000301898964 336336919 /nfs/dbraw/zinc/33/69/19/336336919.db2.gz XMIYCAVYNJRHRJ-UHFFFAOYSA-N 2 2 321.359 3.808 20 0 DHADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]c2ccccc2[nH+]1 ZINC000301899227 336337063 /nfs/dbraw/zinc/33/70/63/336337063.db2.gz XQKAVMWXTQRIAM-QGZVFWFLSA-N 2 2 320.440 3.521 20 0 DHADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]c2ccccc2[nH+]1 ZINC000301899227 336337064 /nfs/dbraw/zinc/33/70/64/336337064.db2.gz XQKAVMWXTQRIAM-QGZVFWFLSA-N 2 2 320.440 3.521 20 0 DHADLP Cc1cc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C(C)C)[nH+]1 ZINC000302048868 336345429 /nfs/dbraw/zinc/34/54/29/336345429.db2.gz MLLIXMUBBQNCDP-HOTGVXAUSA-N 2 2 316.493 3.973 20 0 DHADLP Cc1cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C(C)C)[nH+]1 ZINC000302048868 336345430 /nfs/dbraw/zinc/34/54/30/336345430.db2.gz MLLIXMUBBQNCDP-HOTGVXAUSA-N 2 2 316.493 3.973 20 0 DHADLP Cc1cc(NCCc2cn3c([nH+]2)CCCC3)c2cccc(F)c2[nH+]1 ZINC000302630335 336363029 /nfs/dbraw/zinc/36/30/29/336363029.db2.gz GMHLIVNGLBAIQY-UHFFFAOYSA-N 2 2 324.403 3.870 20 0 DHADLP Cc1cc(NCCc2cn3c([nH+]2)CCCC3)c2cc(F)ccc2[nH+]1 ZINC000302668334 336364070 /nfs/dbraw/zinc/36/40/70/336364070.db2.gz NBYSWJQYUIMQRY-UHFFFAOYSA-N 2 2 324.403 3.870 20 0 DHADLP Cc1cccc(CCC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000352904931 336375658 /nfs/dbraw/zinc/37/56/58/336375658.db2.gz VTFPCZQFYFLRKI-RXVVDRJESA-N 2 2 323.484 3.575 20 0 DHADLP Cc1cccc(CCC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000352904931 336375659 /nfs/dbraw/zinc/37/56/59/336375659.db2.gz VTFPCZQFYFLRKI-RXVVDRJESA-N 2 2 323.484 3.575 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]CC(c1ccccc1)c1ccccc1)CC2 ZINC000352978438 336380981 /nfs/dbraw/zinc/38/09/81/336380981.db2.gz WHPYDVXSGDENDW-IBGZPJMESA-N 2 2 317.436 3.620 20 0 DHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000352981144 336381113 /nfs/dbraw/zinc/38/11/13/336381113.db2.gz KBQCBPIRXODFFB-UHFFFAOYSA-N 2 2 307.397 3.697 20 0 DHADLP CSC1(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000514640394 336389661 /nfs/dbraw/zinc/38/96/61/336389661.db2.gz ZVIZXVBNNDFOLA-HNNXBMFYSA-N 2 2 306.519 3.991 20 0 DHADLP CCC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000443090174 336402351 /nfs/dbraw/zinc/40/23/51/336402351.db2.gz QOHVFGOERHODGU-ZOBUZTSGSA-N 2 2 310.507 3.678 20 0 DHADLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1cccc(C)c1 ZINC000353528031 336422670 /nfs/dbraw/zinc/42/26/70/336422670.db2.gz FRKQUWCORJGLGG-LJQANCHMSA-N 2 2 318.505 3.925 20 0 DHADLP CSCc1cccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000354916289 336487750 /nfs/dbraw/zinc/48/77/50/336487750.db2.gz GINLVRDMTIFKQR-UHFFFAOYSA-N 2 2 300.471 3.975 20 0 DHADLP Fc1ccc2oc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2c1 ZINC000355594387 336515720 /nfs/dbraw/zinc/51/57/20/336515720.db2.gz AAIJCEUNCKIZOF-UHFFFAOYSA-N 2 2 302.393 3.678 20 0 DHADLP COc1cccc(C2(C[NH2+]CCCc3ccc(C)[nH+]c3)CC2)c1 ZINC000356335453 336546618 /nfs/dbraw/zinc/54/66/18/336546618.db2.gz DOKVUVJYHJCAGX-UHFFFAOYSA-N 2 2 310.441 3.653 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(F)cccc1Cl)CCC2 ZINC000360141215 336702690 /nfs/dbraw/zinc/70/26/90/336702690.db2.gz OWUWFEGJMFQBQS-GFCCVEGCSA-N 2 2 307.800 3.651 20 0 DHADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(F)cc1 ZINC000361650368 336767173 /nfs/dbraw/zinc/76/71/73/336767173.db2.gz AJROZNHTKRNIHC-NVXWUHKLSA-N 2 2 301.409 3.949 20 0 DHADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1 ZINC000361967596 336780257 /nfs/dbraw/zinc/78/02/57/336780257.db2.gz MKLQDHXSNAYMLA-CVEARBPZSA-N 2 2 312.910 3.818 20 0 DHADLP CC(C)C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC000361970387 336780448 /nfs/dbraw/zinc/78/04/48/336780448.db2.gz WUZMETPTRKDXJW-ROUUACIJSA-N 2 2 306.519 3.801 20 0 DHADLP CC[NH+](CC)Cc1ccccc1CNc1cc[nH+]c2ccncc12 ZINC000362843691 336813200 /nfs/dbraw/zinc/81/32/00/336813200.db2.gz RFGLYAFBCCCJLE-UHFFFAOYSA-N 2 2 320.440 3.506 20 0 DHADLP Brc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000372171256 336924216 /nfs/dbraw/zinc/92/42/16/336924216.db2.gz ZLIQYWXEBYYTLF-UHFFFAOYSA-N 2 2 320.234 3.552 20 0 DHADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375095037 337003255 /nfs/dbraw/zinc/00/32/55/337003255.db2.gz UMLAROFAEUKQAT-IEBWSBKVSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375095037 337003256 /nfs/dbraw/zinc/00/32/56/337003256.db2.gz UMLAROFAEUKQAT-IEBWSBKVSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@H](c1cnccn1)[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000375095037 337003257 /nfs/dbraw/zinc/00/32/57/337003257.db2.gz UMLAROFAEUKQAT-IEBWSBKVSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@H](c1cnccn1)[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000375095037 337003258 /nfs/dbraw/zinc/00/32/58/337003258.db2.gz UMLAROFAEUKQAT-IEBWSBKVSA-N 2 2 324.472 3.524 20 0 DHADLP C[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)[C@H]1C[C@@H]1c1cccs1 ZINC000375324718 337008240 /nfs/dbraw/zinc/00/82/40/337008240.db2.gz VJMZTLFNTOGEOK-IMJJTQAJSA-N 2 2 324.453 3.611 20 0 DHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1csc(Cl)c1 ZINC000375498289 337012315 /nfs/dbraw/zinc/01/23/15/337012315.db2.gz DVIUHZDRONKVEE-NSHDSACASA-N 2 2 309.866 3.828 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000375620883 337014888 /nfs/dbraw/zinc/01/48/88/337014888.db2.gz ZHYQVINYKADYSX-IBGZPJMESA-N 2 2 321.428 3.631 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000375620883 337014889 /nfs/dbraw/zinc/01/48/89/337014889.db2.gz ZHYQVINYKADYSX-IBGZPJMESA-N 2 2 321.428 3.631 20 0 DHADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)[NH+]2CCCC2)cc1 ZINC000375896279 337022551 /nfs/dbraw/zinc/02/25/51/337022551.db2.gz VKDYQOIKFBXWMN-QUCCMNQESA-N 2 2 324.472 3.522 20 0 DHADLP Cc1ccc([C@@H](C[NH2+]C2CCC3(CCCO3)CC2)[NH+](C)C)cc1 ZINC000376403163 337032708 /nfs/dbraw/zinc/03/27/08/337032708.db2.gz XRCSCLZYZGCMMA-IOJLRTSASA-N 2 2 316.489 3.679 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000376460138 337033902 /nfs/dbraw/zinc/03/39/02/337033902.db2.gz WCHJIKIWUCBERW-KRWDZBQOSA-N 2 2 324.453 3.974 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC000376460138 337033903 /nfs/dbraw/zinc/03/39/03/337033903.db2.gz WCHJIKIWUCBERW-KRWDZBQOSA-N 2 2 324.453 3.974 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)CC[N@@H+]1C ZINC000123488264 337048684 /nfs/dbraw/zinc/04/86/84/337048684.db2.gz CDPMHZKYZYRWDH-UKRRQHHQSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2c(Cl)ccc3cccnc32)CC[N@H+]1C ZINC000123488264 337048685 /nfs/dbraw/zinc/04/86/85/337048685.db2.gz CDPMHZKYZYRWDH-UKRRQHHQSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2c(Cl)ccc3cccnc32)CC[NH+]1C ZINC000123488264 337048686 /nfs/dbraw/zinc/04/86/86/337048686.db2.gz CDPMHZKYZYRWDH-UKRRQHHQSA-N 2 2 317.864 3.803 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2c(Cl)ccc3cccnc32)CC[NH+]1C ZINC000123488264 337048687 /nfs/dbraw/zinc/04/86/87/337048687.db2.gz CDPMHZKYZYRWDH-UKRRQHHQSA-N 2 2 317.864 3.803 20 0 DHADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CCCCCCC2)[C@@H]1c1cccnc1 ZINC000377256347 337049551 /nfs/dbraw/zinc/04/95/51/337049551.db2.gz KOJPJIOXXQMFNF-HKUYNNGSSA-N 2 2 301.478 3.777 20 0 DHADLP C[N@H+]1CC[C@@H](C[NH2+]C2CCCCCCC2)[C@@H]1c1cccnc1 ZINC000377256347 337049552 /nfs/dbraw/zinc/04/95/52/337049552.db2.gz KOJPJIOXXQMFNF-HKUYNNGSSA-N 2 2 301.478 3.777 20 0 DHADLP CC(C)C1CCC([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000377301186 337050231 /nfs/dbraw/zinc/05/02/31/337050231.db2.gz ZJKDXKPBUNSSEH-YSNUMNBNSA-N 2 2 315.505 3.879 20 0 DHADLP CC(C)C1CCC([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000377301186 337050232 /nfs/dbraw/zinc/05/02/32/337050232.db2.gz ZJKDXKPBUNSSEH-YSNUMNBNSA-N 2 2 315.505 3.879 20 0 DHADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000377383077 337051478 /nfs/dbraw/zinc/05/14/78/337051478.db2.gz OEBQETRFSQQWEV-ORAYPTAESA-N 2 2 323.371 3.623 20 0 DHADLP c1ccc(C[N@@H+]2C[C@H]([NH2+]C3CCSCC3)C[C@@H]2C2CC2)cc1 ZINC000377405063 337052157 /nfs/dbraw/zinc/05/21/57/337052157.db2.gz XASAUGVXDKNPJX-RTBURBONSA-N 2 2 316.514 3.525 20 0 DHADLP c1ccc(C[N@H+]2C[C@H]([NH2+]C3CCSCC3)C[C@@H]2C2CC2)cc1 ZINC000377405063 337052158 /nfs/dbraw/zinc/05/21/58/337052158.db2.gz XASAUGVXDKNPJX-RTBURBONSA-N 2 2 316.514 3.525 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377408079 337052314 /nfs/dbraw/zinc/05/23/14/337052314.db2.gz DEXQQRYBZHAKGA-YPMHNXCESA-N 2 2 319.836 3.670 20 0 DHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377408079 337052315 /nfs/dbraw/zinc/05/23/15/337052315.db2.gz DEXQQRYBZHAKGA-YPMHNXCESA-N 2 2 319.836 3.670 20 0 DHADLP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377640555 337057160 /nfs/dbraw/zinc/05/71/60/337057160.db2.gz BSGZJBVDXBBFLK-IEBWSBKVSA-N 2 2 303.494 3.565 20 0 DHADLP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377640555 337057159 /nfs/dbraw/zinc/05/71/59/337057159.db2.gz BSGZJBVDXBBFLK-IEBWSBKVSA-N 2 2 303.494 3.565 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000377670537 337058118 /nfs/dbraw/zinc/05/81/18/337058118.db2.gz FPSCWRQZXPNGIZ-INIZCTEOSA-N 2 2 317.408 3.647 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000377670537 337058119 /nfs/dbraw/zinc/05/81/19/337058119.db2.gz FPSCWRQZXPNGIZ-INIZCTEOSA-N 2 2 317.408 3.647 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)ccc2c1 ZINC000377798986 337061441 /nfs/dbraw/zinc/06/14/41/337061441.db2.gz PGPKAEYFIRTMOI-SUMWQHHRSA-N 2 2 321.424 3.780 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)ccc2c1 ZINC000377798986 337061442 /nfs/dbraw/zinc/06/14/42/337061442.db2.gz PGPKAEYFIRTMOI-SUMWQHHRSA-N 2 2 321.424 3.780 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)ccc2c1 ZINC000377798985 337061451 /nfs/dbraw/zinc/06/14/51/337061451.db2.gz PGPKAEYFIRTMOI-GUYCJALGSA-N 2 2 321.424 3.780 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)ccc2c1 ZINC000377798985 337061452 /nfs/dbraw/zinc/06/14/52/337061452.db2.gz PGPKAEYFIRTMOI-GUYCJALGSA-N 2 2 321.424 3.780 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1nccc3ccccc31)CCC2 ZINC000377817158 337061969 /nfs/dbraw/zinc/06/19/69/337061969.db2.gz PTCPEHNFDYJVPK-WBVHZDCISA-N 2 2 320.440 3.968 20 0 DHADLP CCC[C@@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000378164775 337067518 /nfs/dbraw/zinc/06/75/18/337067518.db2.gz UKUQXJZNSNTYQC-GOSISDBHSA-N 2 2 306.413 3.898 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCc1ccccc1F)CCC2 ZINC000378185973 337067983 /nfs/dbraw/zinc/06/79/83/337067983.db2.gz VEIQZCXAZXNOKV-WMLDXEAASA-N 2 2 315.436 3.819 20 0 DHADLP c1cn2c(cccc2C[NH2+]Cc2ccccc2-c2ccncc2)[nH+]1 ZINC000378344263 337070415 /nfs/dbraw/zinc/07/04/15/337070415.db2.gz YUMUJVZFKWDOBI-UHFFFAOYSA-N 2 2 314.392 3.686 20 0 DHADLP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000378474286 337073730 /nfs/dbraw/zinc/07/37/30/337073730.db2.gz MQZAXKJDINPRQW-OALUTQOASA-N 2 2 313.445 3.596 20 0 DHADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCc4ccccc43)cc2)c[nH+]1 ZINC000177933639 337159214 /nfs/dbraw/zinc/15/92/14/337159214.db2.gz INHYBZJCLCPQPP-FQEVSTJZSA-N 2 2 303.409 3.709 20 0 DHADLP c1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccn2)cc1 ZINC000180728332 337177524 /nfs/dbraw/zinc/17/75/24/337177524.db2.gz RVLSAQWMQXKMJF-HXUWFJFHSA-N 2 2 318.424 3.658 20 0 DHADLP ClC(Cl)(Cl)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000184566896 337198477 /nfs/dbraw/zinc/19/84/77/337198477.db2.gz WLOQJWIRZHZFPY-NSHDSACASA-N 2 2 322.667 3.576 20 0 DHADLP ClC(Cl)(Cl)CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000184566896 337198478 /nfs/dbraw/zinc/19/84/78/337198478.db2.gz WLOQJWIRZHZFPY-NSHDSACASA-N 2 2 322.667 3.576 20 0 DHADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CCSCC1 ZINC000187071869 337261634 /nfs/dbraw/zinc/26/16/34/337261634.db2.gz VNQFROSQNKYZQE-ZDUSSCGKSA-N 2 2 303.475 3.617 20 0 DHADLP CC(C)n1c[nH+]cc1CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000321489454 337271703 /nfs/dbraw/zinc/27/17/03/337271703.db2.gz KAFRODLVUHCBSS-UHFFFAOYSA-N 2 2 318.509 3.742 20 0 DHADLP Cc1cccn2c(C[NH2+][C@H]3CCCc4c(O)cccc43)c[nH+]c12 ZINC000191659940 337298354 /nfs/dbraw/zinc/29/83/54/337298354.db2.gz DUNKSZBPXHDNHR-KRWDZBQOSA-N 2 2 307.397 3.516 20 0 DHADLP Cc1cnccc1C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000397936875 337300936 /nfs/dbraw/zinc/30/09/36/337300936.db2.gz GWFVHUBGKYMMFX-HXUWFJFHSA-N 2 2 309.457 3.534 20 0 DHADLP Cc1cnccc1C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000397936875 337300937 /nfs/dbraw/zinc/30/09/37/337300937.db2.gz GWFVHUBGKYMMFX-HXUWFJFHSA-N 2 2 309.457 3.534 20 0 DHADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000192119247 337302983 /nfs/dbraw/zinc/30/29/83/337302983.db2.gz HFRXAFBBRQSFHG-GUYCJALGSA-N 2 2 319.836 3.628 20 0 DHADLP COc1ccc(Cl)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000192119247 337302984 /nfs/dbraw/zinc/30/29/84/337302984.db2.gz HFRXAFBBRQSFHG-GUYCJALGSA-N 2 2 319.836 3.628 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000584438567 337325298 /nfs/dbraw/zinc/32/52/98/337325298.db2.gz DSVFEQFYPXGPPR-MOPGFXCFSA-N 2 2 314.860 3.918 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000584438567 337325299 /nfs/dbraw/zinc/32/52/99/337325299.db2.gz DSVFEQFYPXGPPR-MOPGFXCFSA-N 2 2 314.860 3.918 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2F)CC1)c1cccnc1 ZINC000112532402 337390547 /nfs/dbraw/zinc/39/05/47/337390547.db2.gz GLQRUGQEGNBPTE-HNNXBMFYSA-N 2 2 313.420 3.536 20 0 DHADLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)CCCS1 ZINC000120392792 337395727 /nfs/dbraw/zinc/39/57/27/337395727.db2.gz XVDAWHOQFPRCBI-SFHVURJKSA-N 2 2 322.493 3.665 20 0 DHADLP CC(C)CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000132401551 337442197 /nfs/dbraw/zinc/44/21/97/337442197.db2.gz DWKZYMDWUXTRSM-QGZVFWFLSA-N 2 2 303.494 3.850 20 0 DHADLP c1cc2c(cccc2C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)[nH]1 ZINC000236713672 337464779 /nfs/dbraw/zinc/46/47/79/337464779.db2.gz JUMGBKIQRQUKIV-UHFFFAOYSA-N 2 2 304.397 3.767 20 0 DHADLP Fc1cc(C[NH2+]Cc2cccc3cc[nH]c32)ccc1-n1cc[nH+]c1 ZINC000237852045 337469626 /nfs/dbraw/zinc/46/96/26/337469626.db2.gz MLJZVUWORUSDRA-UHFFFAOYSA-N 2 2 320.371 3.783 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000527106063 337470456 /nfs/dbraw/zinc/47/04/56/337470456.db2.gz ZHENYJWTCOAYIK-CQSZACIVSA-N 2 2 311.404 3.877 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000572452811 337660713 /nfs/dbraw/zinc/66/07/13/337660713.db2.gz GEYBBPQCEHBYOL-HPFXQQBRSA-N 2 2 304.478 3.661 20 0 DHADLP CC(C)Sc1ccc([C@@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422717040 337684032 /nfs/dbraw/zinc/68/40/32/337684032.db2.gz OBQUIHZMAFTEHD-BFYDXBDKSA-N 2 2 322.518 3.605 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)on1 ZINC000422795059 337687058 /nfs/dbraw/zinc/68/70/58/337687058.db2.gz ZNWGCUZWXCWDCB-GOEBONIOSA-N 2 2 307.482 3.979 20 0 DHADLP Cc1nc(-c2ccc([C@@H](C)[NH2+][C@H](C)[C@H]3CCC[NH2+]3)cc2)cs1 ZINC000422808019 337687520 /nfs/dbraw/zinc/68/75/20/337687520.db2.gz PRINSDFRSUNLIG-PBFPGSCMSA-N 2 2 315.486 3.910 20 0 DHADLP COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)s2)cc1 ZINC000422825569 337688233 /nfs/dbraw/zinc/68/82/33/337688233.db2.gz PZXSSHNLZIKLRG-DYVFJYSZSA-N 2 2 316.470 3.654 20 0 DHADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422884279 337689984 /nfs/dbraw/zinc/68/99/84/337689984.db2.gz DRBNGEMHSRHIKT-DCGLDWPTSA-N 2 2 303.837 3.540 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423100325 337699644 /nfs/dbraw/zinc/69/96/44/337699644.db2.gz GQOKNASULIPGTB-JEBQAFNWSA-N 2 2 322.880 3.538 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Oc2cccnc2)cc1 ZINC000423118587 337700454 /nfs/dbraw/zinc/70/04/54/337700454.db2.gz BLFNJFBKINSUCL-DOXZYTNZSA-N 2 2 311.429 3.665 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423212810 337704565 /nfs/dbraw/zinc/70/45/65/337704565.db2.gz KAYLEJIAYKZMCW-WFASDCNBSA-N 2 2 302.368 3.644 20 0 DHADLP Clc1ccccc1C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccsc1 ZINC000423215111 337704829 /nfs/dbraw/zinc/70/48/29/337704829.db2.gz NJCKWUHLLZDIDP-GOEBONIOSA-N 2 2 306.862 3.637 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1OC(F)F ZINC000423230193 337705892 /nfs/dbraw/zinc/70/58/92/337705892.db2.gz CWIJHIBLJIOMJQ-OCCSQVGLSA-N 2 2 320.383 3.844 20 0 DHADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423246083 337706903 /nfs/dbraw/zinc/70/69/03/337706903.db2.gz JVMREDYFTGMUCP-FZKQIMNGSA-N 2 2 304.384 3.576 20 0 DHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000423246794 337707034 /nfs/dbraw/zinc/70/70/34/337707034.db2.gz QALSBGTUWFNCKQ-RBUKOAKNSA-N 2 2 316.489 3.749 20 0 DHADLP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1nc(-c2ccccc2)cs1 ZINC000423332044 337712422 /nfs/dbraw/zinc/71/24/22/337712422.db2.gz OTRGAEIOPUDWRW-RDTXWAMCSA-N 2 2 315.486 3.850 20 0 DHADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000423398408 337715408 /nfs/dbraw/zinc/71/54/08/337715408.db2.gz OWJQPBJWINYFOJ-WIBUTAKZSA-N 2 2 321.424 3.505 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1C[C@H]1c1ccccc1 ZINC000423433444 337718893 /nfs/dbraw/zinc/71/88/93/337718893.db2.gz RJAASLVSENHXEH-DVMWJLJYSA-N 2 2 306.453 3.655 20 0 DHADLP Cc1ccc2c(CC[NH2+]Cc3c[nH+]c4c(C)cccn34)c[nH]c2c1 ZINC000527120496 337732203 /nfs/dbraw/zinc/73/22/03/337732203.db2.gz DAJPVAWFLRCWAG-UHFFFAOYSA-N 2 2 318.424 3.765 20 0 DHADLP c1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CCC2)nc1 ZINC000527967777 337781052 /nfs/dbraw/zinc/78/10/52/337781052.db2.gz MYQWFDAGUYZTRZ-HXUWFJFHSA-N 2 2 322.456 3.576 20 0 DHADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](C4CC4)C3)CC2)ccn1 ZINC000424358766 337825986 /nfs/dbraw/zinc/82/59/86/337825986.db2.gz UQDWFXSKVNPKMP-AZUAARDMSA-N 2 2 313.489 3.604 20 0 DHADLP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000445456311 338017500 /nfs/dbraw/zinc/01/75/00/338017500.db2.gz IMTOZSVLWNVXEP-DLBZAZTESA-N 2 2 323.484 3.925 20 0 DHADLP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000445456311 338017501 /nfs/dbraw/zinc/01/75/01/338017501.db2.gz IMTOZSVLWNVXEP-DLBZAZTESA-N 2 2 323.484 3.925 20 0 DHADLP CCc1nc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)o1 ZINC000426337145 338027639 /nfs/dbraw/zinc/02/76/39/338027639.db2.gz YVMIWTRSNTWZQX-YOEHRIQHSA-N 2 2 319.493 3.678 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000428282694 338045396 /nfs/dbraw/zinc/04/53/96/338045396.db2.gz XWNCUNOTCAEEMC-NRFANRHFSA-N 2 2 324.468 3.656 20 0 DHADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000428282694 338045397 /nfs/dbraw/zinc/04/53/97/338045397.db2.gz XWNCUNOTCAEEMC-NRFANRHFSA-N 2 2 324.468 3.656 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429526404 338083020 /nfs/dbraw/zinc/08/30/20/338083020.db2.gz HHDVFTDHVWFGRJ-HNNXBMFYSA-N 2 2 319.474 3.628 20 0 DHADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429526404 338083021 /nfs/dbraw/zinc/08/30/21/338083021.db2.gz HHDVFTDHVWFGRJ-HNNXBMFYSA-N 2 2 319.474 3.628 20 0 DHADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000430554377 338108473 /nfs/dbraw/zinc/10/84/73/338108473.db2.gz MSRQHJKIXNZFPV-INIZCTEOSA-N 2 2 323.893 3.927 20 0 DHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430559940 338108680 /nfs/dbraw/zinc/10/86/80/338108680.db2.gz USSRSKKGUZVNQH-SFHVURJKSA-N 2 2 308.416 3.880 20 0 DHADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)cs2)cc1 ZINC000430931262 338119026 /nfs/dbraw/zinc/11/90/26/338119026.db2.gz BAWOFHKLYRKORS-DYVFJYSZSA-N 2 2 315.486 3.542 20 0 DHADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)cs2)cc1 ZINC000430931262 338119027 /nfs/dbraw/zinc/11/90/27/338119027.db2.gz BAWOFHKLYRKORS-DYVFJYSZSA-N 2 2 315.486 3.542 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1nccs1 ZINC000153358672 338223227 /nfs/dbraw/zinc/22/32/27/338223227.db2.gz ITUUPYHZPQPTHJ-OFQRWUPVSA-N 2 2 307.507 3.837 20 0 DHADLP C[N@H+](Cc1csc(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435434883 338240117 /nfs/dbraw/zinc/24/01/17/338240117.db2.gz VGJUFEATXBAKOI-INIZCTEOSA-N 2 2 319.449 3.523 20 0 DHADLP C[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435434883 338240118 /nfs/dbraw/zinc/24/01/18/338240118.db2.gz VGJUFEATXBAKOI-INIZCTEOSA-N 2 2 319.449 3.523 20 0 DHADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000436305895 338268022 /nfs/dbraw/zinc/26/80/22/338268022.db2.gz HEHGNOLWZZDHCO-PSBWJHGTSA-N 2 2 308.510 3.575 20 0 DHADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000436305895 338268023 /nfs/dbraw/zinc/26/80/23/338268023.db2.gz HEHGNOLWZZDHCO-PSBWJHGTSA-N 2 2 308.510 3.575 20 0 DHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2F)cc1F ZINC000437784231 338321405 /nfs/dbraw/zinc/32/14/05/338321405.db2.gz BZCGTNRDDYQOBC-UHFFFAOYSA-N 2 2 324.802 3.970 20 0 DHADLP CC1CC[NH+]([C@@H](C[NH2+]CC[C@H]2CCOC2)c2cccs2)CC1 ZINC000438073859 338329881 /nfs/dbraw/zinc/32/98/81/338329881.db2.gz NVZSQEXFGFNIBU-IRXDYDNUSA-N 2 2 322.518 3.537 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000438077776 338330213 /nfs/dbraw/zinc/33/02/13/338330213.db2.gz MIBLIUDXZZQQTH-LPHOPBHVSA-N 2 2 314.448 3.519 20 0 DHADLP Fc1cccc2[nH]c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc21 ZINC000438100041 338331583 /nfs/dbraw/zinc/33/15/83/338331583.db2.gz YKQGRGGVPRGXAS-INIZCTEOSA-N 2 2 315.436 3.757 20 0 DHADLP Fc1cccc2[nH]c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc21 ZINC000438100041 338331584 /nfs/dbraw/zinc/33/15/84/338331584.db2.gz YKQGRGGVPRGXAS-INIZCTEOSA-N 2 2 315.436 3.757 20 0 DHADLP FC(F)(F)C1C[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000572488185 338391164 /nfs/dbraw/zinc/39/11/64/338391164.db2.gz BACVFLJECOQYRS-UHFFFAOYSA-N 2 2 312.379 3.667 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)c2ccccc21 ZINC000447589509 338559994 /nfs/dbraw/zinc/55/99/94/338559994.db2.gz XZQGFLGIALIKLF-UXPWSPDFSA-N 2 2 316.489 3.571 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000449021387 338584165 /nfs/dbraw/zinc/58/41/65/338584165.db2.gz ZJYHSFMSNYRIIR-UHFFFAOYSA-N 2 2 312.457 3.811 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000449022027 338584580 /nfs/dbraw/zinc/58/45/80/338584580.db2.gz WMDVSSKSTAGXMV-UHFFFAOYSA-N 2 2 321.424 3.882 20 0 DHADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC000449094441 338592782 /nfs/dbraw/zinc/59/27/82/338592782.db2.gz ZGQWUVIVIYMGGM-OAHLLOKOSA-N 2 2 324.390 3.555 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449223350 338603945 /nfs/dbraw/zinc/60/39/45/338603945.db2.gz YAHYSAGBKDNKGH-CQSZACIVSA-N 2 2 312.379 3.555 20 0 DHADLP Cc1ccoc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449333174 338613995 /nfs/dbraw/zinc/61/39/95/338613995.db2.gz AMIFZYUXDVJMBK-QGZVFWFLSA-N 2 2 312.457 3.773 20 0 DHADLP Cc1cccn2c(C[NH2+][C@@H]3C[C@@H](C)Oc4ccccc43)c[nH+]c12 ZINC000449430434 338623562 /nfs/dbraw/zinc/62/35/62/338623562.db2.gz ZSQFUNZCRBXRNA-RHSMWYFYSA-N 2 2 307.397 3.645 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000449766418 338650875 /nfs/dbraw/zinc/65/08/75/338650875.db2.gz NMMFYQZUPIESAJ-OKZBNKHCSA-N 2 2 315.505 3.850 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H]1COCC1(C)C ZINC000451811825 338744746 /nfs/dbraw/zinc/74/47/46/338744746.db2.gz OBXKPOFQQXUNEE-GOSISDBHSA-N 2 2 315.461 3.530 20 0 DHADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccsc1 ZINC000453057068 338788394 /nfs/dbraw/zinc/78/83/94/338788394.db2.gz GIQYKBWHJKOPQS-GOSISDBHSA-N 2 2 315.486 3.848 20 0 DHADLP CCCc1ncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000453347351 338828877 /nfs/dbraw/zinc/82/88/77/338828877.db2.gz ALWPMBBFDZVLSC-AWEZNQCLSA-N 2 2 310.401 3.664 20 0 DHADLP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CCc1c[nH+]cn1C ZINC000459354453 339023982 /nfs/dbraw/zinc/02/39/82/339023982.db2.gz XRIKEZVTFBITQQ-QGZVFWFLSA-N 2 2 305.853 3.945 20 0 DHADLP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459354453 339023983 /nfs/dbraw/zinc/02/39/83/339023983.db2.gz XRIKEZVTFBITQQ-QGZVFWFLSA-N 2 2 305.853 3.945 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000459387125 339026417 /nfs/dbraw/zinc/02/64/17/339026417.db2.gz JOHWFXRYJULGEH-UHFFFAOYSA-N 2 2 313.445 3.505 20 0 DHADLP C[NH+](CCC[N@@H+](C)CC1CCC(F)(F)CC1)Cc1ccco1 ZINC000459488837 339032307 /nfs/dbraw/zinc/03/23/07/339032307.db2.gz SSBIPCKVCPFIQB-UHFFFAOYSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@H+](C)CC1CCC(F)(F)CC1)Cc1ccco1 ZINC000459488837 339032308 /nfs/dbraw/zinc/03/23/08/339032308.db2.gz SSBIPCKVCPFIQB-UHFFFAOYSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1CCC(F)(F)CC1 ZINC000459488837 339032309 /nfs/dbraw/zinc/03/23/09/339032309.db2.gz SSBIPCKVCPFIQB-UHFFFAOYSA-N 2 2 314.420 3.859 20 0 DHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1CCC(F)(F)CC1 ZINC000459488837 339032310 /nfs/dbraw/zinc/03/23/10/339032310.db2.gz SSBIPCKVCPFIQB-UHFFFAOYSA-N 2 2 314.420 3.859 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C1CC2(CCC2)C1 ZINC000459571814 339036619 /nfs/dbraw/zinc/03/66/19/339036619.db2.gz PWWSJXDKIHASCW-UHFFFAOYSA-N 2 2 301.821 3.948 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459655247 339040887 /nfs/dbraw/zinc/04/08/87/339040887.db2.gz FUPZUWPRQNZDAC-JYRVWZFOSA-N 2 2 323.362 3.675 20 0 DHADLP C[C@@H](C[NH2+]CCc1cn(C)c[nH+]1)Cc1ccc(C(C)(C)C)cc1 ZINC000459664830 339041463 /nfs/dbraw/zinc/04/14/63/339041463.db2.gz QHKBVBZOPLFKHX-MRXNPFEDSA-N 2 2 313.489 3.729 20 0 DHADLP Cc1cc(NCc2c[nH+]c3cccc(C)n23)ccc1C[NH+](C)C ZINC000459756001 339046511 /nfs/dbraw/zinc/04/65/11/339046511.db2.gz KAKBOWHSHOLDMK-UHFFFAOYSA-N 2 2 308.429 3.625 20 0 DHADLP CCN(CC[NH2+]Cc1c[nH+]c2c(C)cccn12)c1ccccc1C ZINC000462690306 339084312 /nfs/dbraw/zinc/08/43/12/339084312.db2.gz ZFJFBPCYPZHHJL-UHFFFAOYSA-N 2 2 322.456 3.567 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2OCC(C)C)C1 ZINC000464771959 339152245 /nfs/dbraw/zinc/15/22/45/339152245.db2.gz DJSFFVFZVDVJIU-SFHVURJKSA-N 2 2 318.505 3.885 20 0 DHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(C)C)C1 ZINC000464771959 339152246 /nfs/dbraw/zinc/15/22/46/339152246.db2.gz DJSFFVFZVDVJIU-SFHVURJKSA-N 2 2 318.505 3.885 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000467343093 339232585 /nfs/dbraw/zinc/23/25/85/339232585.db2.gz MCIPFPAAEJZWQX-MOPGFXCFSA-N 2 2 315.505 3.738 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC[C@H]2C)C1 ZINC000467348849 339233066 /nfs/dbraw/zinc/23/30/66/339233066.db2.gz HQJJAYRYPQOKGF-QRVBRYPASA-N 2 2 315.505 3.880 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000467348849 339233067 /nfs/dbraw/zinc/23/30/67/339233067.db2.gz HQJJAYRYPQOKGF-QRVBRYPASA-N 2 2 315.505 3.880 20 0 DHADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467354090 339233484 /nfs/dbraw/zinc/23/34/84/339233484.db2.gz LKWCZXXSHBMEKI-QZTJIDSGSA-N 2 2 303.494 3.738 20 0 DHADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000467354090 339233485 /nfs/dbraw/zinc/23/34/85/339233485.db2.gz LKWCZXXSHBMEKI-QZTJIDSGSA-N 2 2 303.494 3.738 20 0 DHADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000468602389 339266999 /nfs/dbraw/zinc/26/69/99/339266999.db2.gz YMNKOSBUXQZMOI-WFASDCNBSA-N 2 2 314.395 3.523 20 0 DHADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000468602389 339267000 /nfs/dbraw/zinc/26/70/00/339267000.db2.gz YMNKOSBUXQZMOI-WFASDCNBSA-N 2 2 314.395 3.523 20 0 DHADLP COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000471585733 339348268 /nfs/dbraw/zinc/34/82/68/339348268.db2.gz OBCPFXAXKICXOF-PAXLWEDBSA-N 2 2 324.468 3.964 20 0 DHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000472053447 339360341 /nfs/dbraw/zinc/36/03/41/339360341.db2.gz NFLZUAJQPVQKBV-STQMWFEESA-N 2 2 315.914 3.787 20 0 DHADLP Cc1cc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1F ZINC000472074768 339362591 /nfs/dbraw/zinc/36/25/91/339362591.db2.gz OYHPRCAOXRTIRX-HNAYVOBHSA-N 2 2 300.421 3.915 20 0 DHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2c(F)cccc2Cl)C1 ZINC000472464967 339372375 /nfs/dbraw/zinc/37/23/75/339372375.db2.gz KBTVUIMDIOEEIZ-HNNXBMFYSA-N 2 2 324.871 3.685 20 0 DHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2c(F)cccc2Cl)C1 ZINC000472464967 339372376 /nfs/dbraw/zinc/37/23/76/339372376.db2.gz KBTVUIMDIOEEIZ-HNNXBMFYSA-N 2 2 324.871 3.685 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000472464967 339372377 /nfs/dbraw/zinc/37/23/77/339372377.db2.gz KBTVUIMDIOEEIZ-HNNXBMFYSA-N 2 2 324.871 3.685 20 0 DHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C1 ZINC000472464967 339372378 /nfs/dbraw/zinc/37/23/78/339372378.db2.gz KBTVUIMDIOEEIZ-HNNXBMFYSA-N 2 2 324.871 3.685 20 0 DHADLP Oc1cc(F)cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000473140636 339382197 /nfs/dbraw/zinc/38/21/97/339382197.db2.gz DKEGIWGLTKEVQG-MRXNPFEDSA-N 2 2 320.452 3.619 20 0 DHADLP Oc1cc(F)cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000473140636 339382198 /nfs/dbraw/zinc/38/21/98/339382198.db2.gz DKEGIWGLTKEVQG-MRXNPFEDSA-N 2 2 320.452 3.619 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@H]1C ZINC000481995852 339619141 /nfs/dbraw/zinc/61/91/41/339619141.db2.gz XUHDEDCKUSUAKW-FGTMMUONSA-N 2 2 315.505 3.708 20 0 DHADLP Cc1ccccc1C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000482015106 339619820 /nfs/dbraw/zinc/61/98/20/339619820.db2.gz QAUSGADQKDWAJE-UHFFFAOYSA-N 2 2 318.530 3.836 20 0 DHADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc2ccccc2c1 ZINC000484474525 339686851 /nfs/dbraw/zinc/68/68/51/339686851.db2.gz LXIRXRHBLNLPMT-DNVCBOLYSA-N 2 2 314.498 3.928 20 0 DHADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C/C=C/c1ccncc1)[NH+](C)C ZINC000487540683 339756273 /nfs/dbraw/zinc/75/62/73/339756273.db2.gz POQCZEFVAXTZRV-HOUBKHITSA-N 2 2 309.457 3.684 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC2(C)C)CC1 ZINC000487579689 339758469 /nfs/dbraw/zinc/75/84/69/339758469.db2.gz WMJHUCFUKCHLTQ-DAYGRLMNSA-N 2 2 301.478 3.631 20 0 DHADLP Cc1cccn2c(C[NH2+]C[C@H]3CCCCC(F)(F)C3)c[nH+]c12 ZINC000491573683 339867543 /nfs/dbraw/zinc/86/75/43/339867543.db2.gz UBULJRSWHOPGQI-AWEZNQCLSA-N 2 2 307.388 3.948 20 0 DHADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1C ZINC000499668823 340042480 /nfs/dbraw/zinc/04/24/80/340042480.db2.gz GAISXZXZNJIUEP-CXAGYDPISA-N 2 2 311.473 3.808 20 0 DHADLP Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1C ZINC000499668823 340042481 /nfs/dbraw/zinc/04/24/81/340042481.db2.gz GAISXZXZNJIUEP-CXAGYDPISA-N 2 2 311.473 3.808 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1nc2c(s1)CCC2 ZINC000502059540 340094456 /nfs/dbraw/zinc/09/44/56/340094456.db2.gz XDKKLCDINAOGBU-ZDUSSCGKSA-N 2 2 319.518 3.689 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000502696266 340110854 /nfs/dbraw/zinc/11/08/54/340110854.db2.gz IYTLTAXKGFWZOK-SLFFLAALSA-N 2 2 316.489 3.618 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000503546649 340130087 /nfs/dbraw/zinc/13/00/87/340130087.db2.gz LSELEWJUEPAITM-FOIQADDNSA-N 2 2 312.432 3.923 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000503546649 340130088 /nfs/dbraw/zinc/13/00/88/340130088.db2.gz LSELEWJUEPAITM-FOIQADDNSA-N 2 2 312.432 3.923 20 0 DHADLP COc1c(C)cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000506379010 340193697 /nfs/dbraw/zinc/19/36/97/340193697.db2.gz HIPKKMHEKSYMRU-UHFFFAOYSA-N 2 2 316.489 3.762 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@H](C)C1 ZINC000507510876 340223362 /nfs/dbraw/zinc/22/33/62/340223362.db2.gz NILNPSBGYRWPJL-NFAWXSAZSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@@H](C)C1 ZINC000507510878 340223416 /nfs/dbraw/zinc/22/34/16/340223416.db2.gz NILNPSBGYRWPJL-VNHYZAJKSA-N 2 2 306.416 3.818 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCCOC1 ZINC000507521721 340224190 /nfs/dbraw/zinc/22/41/90/340224190.db2.gz ADTRWQDIZIMRPN-RYRKJORJSA-N 2 2 304.478 3.521 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)[C@H]1CCCOC1)c1ccccc1 ZINC000507521720 340224309 /nfs/dbraw/zinc/22/43/09/340224309.db2.gz ADTRWQDIZIMRPN-BQFCYCMXSA-N 2 2 304.478 3.521 20 0 DHADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCCCF ZINC000509141370 340262200 /nfs/dbraw/zinc/26/22/00/340262200.db2.gz UWKGGPACIPHUKW-GOSISDBHSA-N 2 2 306.469 3.799 20 0 DHADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCCCF ZINC000509141370 340262201 /nfs/dbraw/zinc/26/22/01/340262201.db2.gz UWKGGPACIPHUKW-GOSISDBHSA-N 2 2 306.469 3.799 20 0 DHADLP Fc1ccc(SCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000510096033 340288575 /nfs/dbraw/zinc/28/85/75/340288575.db2.gz WEGPDXCHXRBNFR-UHFFFAOYSA-N 2 2 322.493 3.868 20 0 DHADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510671384 340305866 /nfs/dbraw/zinc/30/58/66/340305866.db2.gz ZRMBLXJPBWCVCC-AWEZNQCLSA-N 2 2 316.411 3.956 20 0 DHADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510671384 340305867 /nfs/dbraw/zinc/30/58/67/340305867.db2.gz ZRMBLXJPBWCVCC-AWEZNQCLSA-N 2 2 316.411 3.956 20 0 DHADLP COCC[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C ZINC000510992077 340317394 /nfs/dbraw/zinc/31/73/94/340317394.db2.gz BNBNKKNNBCWXAW-NEWSRXKRSA-N 2 2 318.505 3.548 20 0 DHADLP COCC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C ZINC000510992077 340317395 /nfs/dbraw/zinc/31/73/95/340317395.db2.gz BNBNKKNNBCWXAW-NEWSRXKRSA-N 2 2 318.505 3.548 20 0 DHADLP FC(F)(F)c1cccc([C@H]2CCC[C@@H]2[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000511891037 340341954 /nfs/dbraw/zinc/34/19/54/340341954.db2.gz PCEOLQDVNUUCAK-CABCVRRESA-N 2 2 309.335 3.854 20 0 DHADLP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000512286566 340355360 /nfs/dbraw/zinc/35/53/60/340355360.db2.gz PDTGGNMDQKVNII-OAHLLOKOSA-N 2 2 317.864 3.837 20 0 DHADLP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000512286566 340355361 /nfs/dbraw/zinc/35/53/61/340355361.db2.gz PDTGGNMDQKVNII-OAHLLOKOSA-N 2 2 317.864 3.837 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000512577085 340367668 /nfs/dbraw/zinc/36/76/68/340367668.db2.gz HBNFVXHTVMGJDZ-FHLIZLRMSA-N 2 2 324.896 3.880 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000512577085 340367669 /nfs/dbraw/zinc/36/76/69/340367669.db2.gz HBNFVXHTVMGJDZ-FHLIZLRMSA-N 2 2 324.896 3.880 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cc(O)cc(F)c1)c1ccccc1 ZINC000185534984 340502499 /nfs/dbraw/zinc/50/24/99/340502499.db2.gz RKBHELPXXCQCEA-AWEZNQCLSA-N 2 2 316.420 3.750 20 0 DHADLP Clc1c[nH+]ccc1NCc1[nH+]ccn1CCc1ccccc1 ZINC000193468776 340578133 /nfs/dbraw/zinc/57/81/33/340578133.db2.gz URYZJUQKNWPIQO-UHFFFAOYSA-N 2 2 312.804 3.786 20 0 DHADLP c1ccc([C@@H](C[NH2+]C2Cc3ccccc3C2)[NH+]2CCCC2)cc1 ZINC000236665960 340663546 /nfs/dbraw/zinc/66/35/46/340663546.db2.gz NVSDHOUJBJCUCX-OAQYLSRUSA-N 2 2 306.453 3.581 20 0 DHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(F)cn2)c(C)c1 ZINC000529544490 340761819 /nfs/dbraw/zinc/76/18/19/340761819.db2.gz NOGIEZYPRFWTAS-LJQANCHMSA-N 2 2 324.403 3.565 20 0 DHADLP COc1cccc2c(NCCCCn3cc[nH+]c3)c(C)c[nH+]c12 ZINC000530327147 340787662 /nfs/dbraw/zinc/78/76/62/340787662.db2.gz KZEKGRXZSXFGFT-UHFFFAOYSA-N 2 2 310.401 3.641 20 0 DHADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@H](C)c1nc2ccccc2s1 ZINC000128248902 340862595 /nfs/dbraw/zinc/86/25/95/340862595.db2.gz RSYHFBPTMIYDDG-LSDHHAIUSA-N 2 2 317.502 3.864 20 0 DHADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000539854983 340906739 /nfs/dbraw/zinc/90/67/39/340906739.db2.gz MDMRAVKGVYWJJW-JFIYKMOQSA-N 2 2 301.478 3.855 20 0 DHADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cc(F)cc(F)c1 ZINC000130629160 341034616 /nfs/dbraw/zinc/03/46/16/341034616.db2.gz VNZURTXMYGICKQ-GFCCVEGCSA-N 2 2 301.340 3.506 20 0 DHADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)[C@H](C)C1 ZINC000544355963 341077887 /nfs/dbraw/zinc/07/78/87/341077887.db2.gz WRAQAHAJGGTQHP-FPCVCCKLSA-N 2 2 303.494 3.910 20 0 DHADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]2CCCC[C@@H]12 ZINC000544372300 341078827 /nfs/dbraw/zinc/07/88/27/341078827.db2.gz YZJHFVBVMDVLLG-COXVUDFISA-N 2 2 301.459 3.944 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]2CCCC[C@@H]12 ZINC000544372300 341078828 /nfs/dbraw/zinc/07/88/28/341078828.db2.gz YZJHFVBVMDVLLG-COXVUDFISA-N 2 2 301.459 3.944 20 0 DHADLP C[C@H](CC[NH2+][C@H]1CCc2c1c(F)ccc2F)[NH+]1CCCCC1 ZINC000544374668 341078997 /nfs/dbraw/zinc/07/89/97/341078997.db2.gz ZZOKYOBXLXLWJL-DYVFJYSZSA-N 2 2 308.416 3.806 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000131434956 341087526 /nfs/dbraw/zinc/08/75/26/341087526.db2.gz OQMIJPFPAVIVGF-INIZCTEOSA-N 3 2 314.477 3.563 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131885733 341113190 /nfs/dbraw/zinc/11/31/90/341113190.db2.gz VZMILBPVONOIDT-JSGCOSHPSA-N 2 2 304.340 3.574 20 0 DHADLP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131885733 341113191 /nfs/dbraw/zinc/11/31/91/341113191.db2.gz VZMILBPVONOIDT-JSGCOSHPSA-N 2 2 304.340 3.574 20 0 DHADLP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000546017410 341151383 /nfs/dbraw/zinc/15/13/83/341151383.db2.gz JCJXISPLCPLNAV-RVKKMQEKSA-N 2 2 302.487 3.960 20 0 DHADLP C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000546017411 341151444 /nfs/dbraw/zinc/15/14/44/341151444.db2.gz JCJXISPLCPLNAV-VKJFTORMSA-N 2 2 302.487 3.960 20 0 DHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000564315701 341203996 /nfs/dbraw/zinc/20/39/96/341203996.db2.gz VDWJSCJBTBQHCJ-UHFFFAOYSA-N 2 2 308.372 3.608 20 0 DHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000564315701 341203997 /nfs/dbraw/zinc/20/39/97/341203997.db2.gz VDWJSCJBTBQHCJ-UHFFFAOYSA-N 2 2 308.372 3.608 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CCS2 ZINC000548306099 341255306 /nfs/dbraw/zinc/25/53/06/341255306.db2.gz FXOZRXMOUGIJPA-GUYCJALGSA-N 2 2 304.503 3.772 20 0 DHADLP Cc1cc2c(cc1C)[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CCS2 ZINC000548306099 341255307 /nfs/dbraw/zinc/25/53/07/341255307.db2.gz FXOZRXMOUGIJPA-GUYCJALGSA-N 2 2 304.503 3.772 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245434623 341293615 /nfs/dbraw/zinc/29/36/15/341293615.db2.gz CLEIDYYJASYYEJ-GJZGRUSLSA-N 2 2 308.416 3.834 20 0 DHADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245434623 341293616 /nfs/dbraw/zinc/29/36/16/341293616.db2.gz CLEIDYYJASYYEJ-GJZGRUSLSA-N 2 2 308.416 3.834 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245440956 341294278 /nfs/dbraw/zinc/29/42/78/341294278.db2.gz VBVJIOVPJZYTOK-XJKSGUPXSA-N 2 2 310.869 3.511 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245440956 341294279 /nfs/dbraw/zinc/29/42/79/341294279.db2.gz VBVJIOVPJZYTOK-XJKSGUPXSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245440956 341294280 /nfs/dbraw/zinc/29/42/80/341294280.db2.gz VBVJIOVPJZYTOK-XJKSGUPXSA-N 2 2 310.869 3.511 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245440956 341294281 /nfs/dbraw/zinc/29/42/81/341294281.db2.gz VBVJIOVPJZYTOK-XJKSGUPXSA-N 2 2 310.869 3.511 20 0 DHADLP C[C@H]1CC[N@H+](CCc2c(F)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000245558658 341302060 /nfs/dbraw/zinc/30/20/60/341302060.db2.gz BENJKESVYIDWQJ-SUMWQHHRSA-N 2 2 321.827 3.801 20 0 DHADLP C[C@H]1CC[N@@H+](CCc2c(F)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000245558658 341302061 /nfs/dbraw/zinc/30/20/61/341302061.db2.gz BENJKESVYIDWQJ-SUMWQHHRSA-N 2 2 321.827 3.801 20 0 DHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549839940 341304772 /nfs/dbraw/zinc/30/47/72/341304772.db2.gz DGOMEGAUBNZXKX-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549839940 341304773 /nfs/dbraw/zinc/30/47/73/341304773.db2.gz DGOMEGAUBNZXKX-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549839940 341304774 /nfs/dbraw/zinc/30/47/74/341304774.db2.gz DGOMEGAUBNZXKX-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3)C2)C1 ZINC000549839940 341304775 /nfs/dbraw/zinc/30/47/75/341304775.db2.gz DGOMEGAUBNZXKX-MRXNPFEDSA-N 2 2 313.272 3.911 20 0 DHADLP c1ccc2c(c1)COC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000550932383 341327127 /nfs/dbraw/zinc/32/71/27/341327127.db2.gz WDKJYCKUWODUBK-FQEVSTJZSA-N 2 2 314.473 3.645 20 0 DHADLP c1ccc2c(c1)cccc2C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000551039434 341329953 /nfs/dbraw/zinc/32/99/53/341329953.db2.gz HXWAHJMLPMPOPC-FQEVSTJZSA-N 2 2 324.468 3.527 20 0 DHADLP c1ccc2c(c1)cccc2C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000551039434 341329954 /nfs/dbraw/zinc/32/99/54/341329954.db2.gz HXWAHJMLPMPOPC-FQEVSTJZSA-N 2 2 324.468 3.527 20 0 DHADLP Cc1ccccc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000551092738 341331502 /nfs/dbraw/zinc/33/15/02/341331502.db2.gz CBWMCAYECXEZMH-NHCUHLMSSA-N 2 2 308.469 3.963 20 0 DHADLP Cc1ccccc1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000551092738 341331503 /nfs/dbraw/zinc/33/15/03/341331503.db2.gz CBWMCAYECXEZMH-NHCUHLMSSA-N 2 2 308.469 3.963 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCOC[C@H]2C)[NH+](CC)CC)cc1 ZINC000551228581 341334628 /nfs/dbraw/zinc/33/46/28/341334628.db2.gz JBZSNZOMPVZWTI-AHRSYUTCSA-N 2 2 318.505 3.647 20 0 DHADLP CC(C)c1ccc(CC[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000139087789 341336975 /nfs/dbraw/zinc/33/69/75/341336975.db2.gz DQEMZHCTFGWEMO-UHFFFAOYSA-N 2 2 307.441 3.833 20 0 DHADLP C[C@@H]1CC[N@H+](CCSc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000246247087 341337491 /nfs/dbraw/zinc/33/74/91/341337491.db2.gz IUFWFBBUAGPLEW-GDBMZVCRSA-N 2 2 319.449 3.697 20 0 DHADLP C[C@@H]1CC[N@@H+](CCSc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000246247087 341337492 /nfs/dbraw/zinc/33/74/92/341337492.db2.gz IUFWFBBUAGPLEW-GDBMZVCRSA-N 2 2 319.449 3.697 20 0 DHADLP CC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H](C)C(C)C ZINC000551379892 341339897 /nfs/dbraw/zinc/33/98/97/341339897.db2.gz AEOGXXAELAOWLC-QUCCMNQESA-N 2 2 318.505 3.644 20 0 DHADLP CC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H](C)C(C)C ZINC000551379892 341339898 /nfs/dbraw/zinc/33/98/98/341339898.db2.gz AEOGXXAELAOWLC-QUCCMNQESA-N 2 2 318.505 3.644 20 0 DHADLP CC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H](C)C(C)C ZINC000551379892 341339899 /nfs/dbraw/zinc/33/98/99/341339899.db2.gz AEOGXXAELAOWLC-QUCCMNQESA-N 2 2 318.505 3.644 20 0 DHADLP CC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H](C)C(C)C ZINC000551379892 341339900 /nfs/dbraw/zinc/33/99/00/341339900.db2.gz AEOGXXAELAOWLC-QUCCMNQESA-N 2 2 318.505 3.644 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)s2)C[N@@H+]1C1CC1 ZINC000551581703 341346293 /nfs/dbraw/zinc/34/62/93/341346293.db2.gz MSXSWLUTTJYRQH-OLZOCXBDSA-N 2 2 312.910 3.939 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]CCCCc2ccc(Cl)s2)C[N@H+]1C1CC1 ZINC000551581703 341346294 /nfs/dbraw/zinc/34/62/94/341346294.db2.gz MSXSWLUTTJYRQH-OLZOCXBDSA-N 2 2 312.910 3.939 20 0 DHADLP COc1ccccc1[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000246484894 341350449 /nfs/dbraw/zinc/35/04/49/341350449.db2.gz RLLWBMULFFIMNN-PLMTUMEDSA-N 2 2 324.468 3.857 20 0 DHADLP COc1ccccc1[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000246484894 341350450 /nfs/dbraw/zinc/35/04/50/341350450.db2.gz RLLWBMULFFIMNN-PLMTUMEDSA-N 2 2 324.468 3.857 20 0 DHADLP COc1ccc([C@H](C[NH+](C)C)[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000551833220 341353231 /nfs/dbraw/zinc/35/32/31/341353231.db2.gz LMGZBKKKJGCMMD-UZLBHIALSA-N 2 2 312.457 3.691 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000551853006 341353580 /nfs/dbraw/zinc/35/35/80/341353580.db2.gz VICNKIMSQOKGDZ-UHFFFAOYSA-N 2 2 305.425 3.995 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000551853006 341353581 /nfs/dbraw/zinc/35/35/81/341353581.db2.gz VICNKIMSQOKGDZ-UHFFFAOYSA-N 2 2 305.425 3.995 20 0 DHADLP C[C@@H]1CC[N@H+](CCc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000246625025 341354670 /nfs/dbraw/zinc/35/46/70/341354670.db2.gz QWKLUTFWPVPNBV-RHSMWYFYSA-N 2 2 303.837 3.662 20 0 DHADLP C[C@@H]1CC[N@@H+](CCc2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000246625025 341354671 /nfs/dbraw/zinc/35/46/71/341354671.db2.gz QWKLUTFWPVPNBV-RHSMWYFYSA-N 2 2 303.837 3.662 20 0 DHADLP CCC[N@H+](C)[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)c1ccc(Cl)cc1 ZINC000552323241 341386458 /nfs/dbraw/zinc/38/64/58/341386458.db2.gz AZPWTKSKBPTVIH-JCGIZDLHSA-N 2 2 324.896 3.738 20 0 DHADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)c1ccc(Cl)cc1 ZINC000552323241 341386459 /nfs/dbraw/zinc/38/64/59/341386459.db2.gz AZPWTKSKBPTVIH-JCGIZDLHSA-N 2 2 324.896 3.738 20 0 DHADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000090050522 341412889 /nfs/dbraw/zinc/41/28/89/341412889.db2.gz YGLQVEBFHXQITP-GOSISDBHSA-N 2 2 319.452 3.653 20 0 DHADLP CC[C@@H]1CC[C@H]1[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000554072648 341442659 /nfs/dbraw/zinc/44/26/59/341442659.db2.gz WUOAOLPBIWZORH-YQVWRLOYSA-N 2 2 316.489 3.665 20 0 DHADLP F[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000554089257 341443484 /nfs/dbraw/zinc/44/34/84/341443484.db2.gz BOVJRWAYLVUJFF-WBVHZDCISA-N 2 2 310.844 3.785 20 0 DHADLP CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000572555539 341491359 /nfs/dbraw/zinc/49/13/59/341491359.db2.gz BXFXUSVEFLFJHO-HNNXBMFYSA-N 2 2 309.417 3.501 20 0 DHADLP CCc1ccc([C@@H](C[NH2+][C@@H]2CCSC2)[NH+](CC)CC)cc1 ZINC000556211351 341497406 /nfs/dbraw/zinc/49/74/06/341497406.db2.gz AHCWXFUCFPDQSL-QZTJIDSGSA-N 2 2 306.519 3.727 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000566481270 341559597 /nfs/dbraw/zinc/55/95/97/341559597.db2.gz GNIQBEWWALSEJQ-WDSOQIARSA-N 3 2 315.505 3.510 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)n1C ZINC000566748903 341567141 /nfs/dbraw/zinc/56/71/41/341567141.db2.gz OWBZEZFPIMXEMQ-HOCLYGCPSA-N 2 2 303.837 3.808 20 0 DHADLP COc1cc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)ccc1F ZINC000153550462 341574682 /nfs/dbraw/zinc/57/46/82/341574682.db2.gz IMPKMMPUKIPOBG-CQSZACIVSA-N 2 2 317.408 3.772 20 0 DHADLP Fc1cc(F)cc(C2CC([NH2+]CC[NH+]3CCCCCC3)C2)c1 ZINC000567311894 341594430 /nfs/dbraw/zinc/59/44/30/341594430.db2.gz YVZWHFQAEVLILT-UHFFFAOYSA-N 2 2 308.416 3.676 20 0 DHADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000163779857 341701116 /nfs/dbraw/zinc/70/11/16/341701116.db2.gz UKKGWLLVEKFLCV-QUCCMNQESA-N 2 2 315.505 3.995 20 0 DHADLP C[NH+](C)[C@H](CNc1cc[nH+]c(C2CC2)n1)c1ccccc1Cl ZINC000171810687 341785939 /nfs/dbraw/zinc/78/59/39/341785939.db2.gz QXDUSAGXUUBGSP-OAHLLOKOSA-N 2 2 316.836 3.722 20 0 DHADLP CCOC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000336875170 341809590 /nfs/dbraw/zinc/80/95/90/341809590.db2.gz BMCUUWBFNCVJGR-MRXNPFEDSA-N 2 2 313.445 3.872 20 0 DHADLP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000369069650 519305403 /nfs/dbraw/zinc/30/54/03/519305403.db2.gz BJRNAHMRHVYJQD-WDSOQIARSA-N 2 2 303.494 3.688 20 0 DHADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000369069650 519305408 /nfs/dbraw/zinc/30/54/08/519305408.db2.gz BJRNAHMRHVYJQD-WDSOQIARSA-N 2 2 303.494 3.688 20 0 DHADLP CC(C)C[C@H](C)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000369069650 519305412 /nfs/dbraw/zinc/30/54/12/519305412.db2.gz BJRNAHMRHVYJQD-WDSOQIARSA-N 2 2 303.494 3.688 20 0 DHADLP CC(C)C[C@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000369069650 519305416 /nfs/dbraw/zinc/30/54/16/519305416.db2.gz BJRNAHMRHVYJQD-WDSOQIARSA-N 2 2 303.494 3.688 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OCC ZINC000154630171 521262716 /nfs/dbraw/zinc/26/27/16/521262716.db2.gz DQCCUNUHLHEJKD-IRXDYDNUSA-N 2 2 320.477 3.619 20 0 DHADLP CCOc1ccc([C@H](CC)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OCC ZINC000154630171 521262723 /nfs/dbraw/zinc/26/27/23/521262723.db2.gz DQCCUNUHLHEJKD-IRXDYDNUSA-N 2 2 320.477 3.619 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000159319268 521580135 /nfs/dbraw/zinc/58/01/35/521580135.db2.gz HSIJUWPTCRWVDJ-NSHDSACASA-N 2 2 316.367 3.562 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000159267870 521581100 /nfs/dbraw/zinc/58/11/00/521581100.db2.gz GKELQCGXHFMCRV-GFCCVEGCSA-N 2 2 316.367 3.720 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000156603098 521641380 /nfs/dbraw/zinc/64/13/80/521641380.db2.gz FNBBPEYZRUREJP-OXJNMPFZSA-N 2 2 309.457 3.884 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000156603098 521641384 /nfs/dbraw/zinc/64/13/84/521641384.db2.gz FNBBPEYZRUREJP-OXJNMPFZSA-N 2 2 309.457 3.884 20 0 DHADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180798252 521710935 /nfs/dbraw/zinc/71/09/35/521710935.db2.gz LBYFVRUPTKMORF-HNNXBMFYSA-N 2 2 300.402 3.503 20 0 DHADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180798252 521710937 /nfs/dbraw/zinc/71/09/37/521710937.db2.gz LBYFVRUPTKMORF-HNNXBMFYSA-N 2 2 300.402 3.503 20 0 DHADLP COCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)(C)C ZINC000338352132 521860000 /nfs/dbraw/zinc/86/00/00/521860000.db2.gz UVMRTFHXIRNMMT-GOSISDBHSA-N 2 2 315.461 3.722 20 0 DHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cccc(O)c2Cl)ccc1F ZINC000339263709 521890651 /nfs/dbraw/zinc/89/06/51/521890651.db2.gz JGDLHFDGKLXCEZ-UHFFFAOYSA-N 2 2 322.811 3.536 20 0 DHADLP CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc3[nH+]ccn32)s1 ZINC000180406740 522219712 /nfs/dbraw/zinc/21/97/12/522219712.db2.gz UUCJCMCOBWCKSV-CYBMUJFWSA-N 2 2 314.458 3.855 20 0 DHADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccc3[nH+]ccn32)s1 ZINC000180406740 522219723 /nfs/dbraw/zinc/21/97/23/522219723.db2.gz UUCJCMCOBWCKSV-CYBMUJFWSA-N 2 2 314.458 3.855 20 0 DHADLP CC[C@H](Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)c1[nH+]ccn1C ZINC000180061491 522770081 /nfs/dbraw/zinc/77/00/81/522770081.db2.gz GVCGWTBVEPWYOA-AWEZNQCLSA-N 2 2 309.417 3.747 20 0 DHADLP CCc1nocc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000339262689 522934608 /nfs/dbraw/zinc/93/46/08/522934608.db2.gz FLIIMFGDTSIQJS-OAHLLOKOSA-N 2 2 313.445 3.552 20 0 DHADLP CCc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)o1 ZINC000131123482 523941049 /nfs/dbraw/zinc/94/10/49/523941049.db2.gz FDTLDHOVSYIYEW-HNNXBMFYSA-N 2 2 313.445 3.552 20 0 DHADLP C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156427248 524292952 /nfs/dbraw/zinc/29/29/52/524292952.db2.gz VOGPBRPQKAHXCZ-BBRMVZONSA-N 2 2 321.371 3.568 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156427248 524292959 /nfs/dbraw/zinc/29/29/59/524292959.db2.gz VOGPBRPQKAHXCZ-BBRMVZONSA-N 2 2 321.371 3.568 20 0 DHADLP Cc1cccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccn2)c1 ZINC000182921069 524383100 /nfs/dbraw/zinc/38/31/00/524383100.db2.gz WQCBPADIQPDRGQ-UHFFFAOYSA-N 2 2 320.440 3.679 20 0 DHADLP Cc1cccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccn2)c1 ZINC000182921069 524383106 /nfs/dbraw/zinc/38/31/06/524383106.db2.gz WQCBPADIQPDRGQ-UHFFFAOYSA-N 2 2 320.440 3.679 20 0 DHADLP C[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000365127004 524485228 /nfs/dbraw/zinc/48/52/28/524485228.db2.gz UUQNUJDDXRAEKM-UYAOXDASSA-N 2 2 323.484 3.687 20 0 DHADLP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000365127004 524485237 /nfs/dbraw/zinc/48/52/37/524485237.db2.gz UUQNUJDDXRAEKM-UYAOXDASSA-N 2 2 323.484 3.687 20 0 DHADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc2n1 ZINC000266779990 524677859 /nfs/dbraw/zinc/67/78/59/524677859.db2.gz UVOUQAORPDQTKU-UHFFFAOYSA-N 2 2 306.413 3.646 20 0 DHADLP Cc1ccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)c[nH+]1 ZINC000128062797 525282960 /nfs/dbraw/zinc/28/29/60/525282960.db2.gz HBZCAYNQQAVCER-UHFFFAOYSA-N 2 2 324.472 3.533 20 0 DHADLP COc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1F ZINC000162853122 525319673 /nfs/dbraw/zinc/31/96/73/525319673.db2.gz ZEPROAQZKULCTE-AWEZNQCLSA-N 2 2 317.408 3.772 20 0 DHADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc2ccccc2n1 ZINC000366432226 525398199 /nfs/dbraw/zinc/39/81/99/525398199.db2.gz MKUPVAUZHXOLDE-FAEJEUNOSA-N 2 2 309.457 3.902 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000158812863 525414999 /nfs/dbraw/zinc/41/49/99/525414999.db2.gz GGZYMLRYTLNKAT-MRXNPFEDSA-N 2 2 309.457 3.569 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000158812863 525415004 /nfs/dbraw/zinc/41/50/04/525415004.db2.gz GGZYMLRYTLNKAT-MRXNPFEDSA-N 2 2 309.457 3.569 20 0 DHADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc2c(c1)OCO2 ZINC000156227023 525444551 /nfs/dbraw/zinc/44/45/51/525444551.db2.gz CMGYLXFHWDGNIG-CYBMUJFWSA-N 2 2 323.396 3.575 20 0 DHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1nccs1 ZINC000181194264 525455191 /nfs/dbraw/zinc/45/51/91/525455191.db2.gz MMGKHILHQCYEDJ-AWEZNQCLSA-N 2 2 301.459 3.590 20 0 DHADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1OCc1ccccc1 ZINC000155667326 525470858 /nfs/dbraw/zinc/47/08/58/525470858.db2.gz PTGYBILCBBDDAN-QGZVFWFLSA-N 2 2 321.424 3.813 20 0 DHADLP Cc1cccnc1C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367432169 525511270 /nfs/dbraw/zinc/51/12/70/525511270.db2.gz PTVCQLKPVINZSG-UHFFFAOYSA-N 2 2 315.505 3.865 20 0 DHADLP Cc1cccnc1C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367432169 525511281 /nfs/dbraw/zinc/51/12/81/525511281.db2.gz PTVCQLKPVINZSG-UHFFFAOYSA-N 2 2 315.505 3.865 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000130156426 525643594 /nfs/dbraw/zinc/64/35/94/525643594.db2.gz STAAGUMGELCJTA-MGPQQGTHSA-N 2 2 323.278 3.727 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Br ZINC000130156426 525643600 /nfs/dbraw/zinc/64/36/00/525643600.db2.gz STAAGUMGELCJTA-MGPQQGTHSA-N 2 2 323.278 3.727 20 0 DHADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccncc2)[NH+]2CCCC2)cc1 ZINC000156541120 525764866 /nfs/dbraw/zinc/76/48/66/525764866.db2.gz HBNIINFXACOGPA-YLJYHZDGSA-N 2 2 309.457 3.878 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1coc(-c3ccccc3)n1)CCC2 ZINC000364131778 525938667 /nfs/dbraw/zinc/93/86/67/525938667.db2.gz JDTRNKXBBFXEFE-INIZCTEOSA-N 2 2 322.412 3.514 20 0 DHADLP Cc1cnc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)o1 ZINC000337243036 526159124 /nfs/dbraw/zinc/15/91/24/526159124.db2.gz GJJHZUQNOVXZDK-INIZCTEOSA-N 2 2 313.445 3.820 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162825277 526175611 /nfs/dbraw/zinc/17/56/11/526175611.db2.gz WXFAZSKZSVMVJE-KBPBESRZSA-N 2 2 303.475 3.773 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162825277 526175619 /nfs/dbraw/zinc/17/56/19/526175619.db2.gz WXFAZSKZSVMVJE-KBPBESRZSA-N 2 2 303.475 3.773 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000162825277 526175628 /nfs/dbraw/zinc/17/56/28/526175628.db2.gz WXFAZSKZSVMVJE-KBPBESRZSA-N 2 2 303.475 3.773 20 0 DHADLP C[C@@H](c1nc2ccccc2s1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000162825277 526175634 /nfs/dbraw/zinc/17/56/34/526175634.db2.gz WXFAZSKZSVMVJE-KBPBESRZSA-N 2 2 303.475 3.773 20 0 DHADLP Cc1cncc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000189917871 526191888 /nfs/dbraw/zinc/19/18/88/526191888.db2.gz RFVHYPLXRCNBQD-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cncc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000189917871 526191901 /nfs/dbraw/zinc/19/19/01/526191901.db2.gz RFVHYPLXRCNBQD-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cncc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000189917871 526191911 /nfs/dbraw/zinc/19/19/11/526191911.db2.gz RFVHYPLXRCNBQD-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cncc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000189917871 526191917 /nfs/dbraw/zinc/19/19/17/526191917.db2.gz RFVHYPLXRCNBQD-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP FCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000338000632 526285476 /nfs/dbraw/zinc/28/54/76/526285476.db2.gz ZIOOEGDMKSIYKM-WBVHZDCISA-N 2 2 301.409 3.880 20 0 DHADLP Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000153943588 526517221 /nfs/dbraw/zinc/51/72/21/526517221.db2.gz NLEVQZGYADYGBI-LBPRGKRZSA-N 2 2 310.401 3.636 20 0 DHADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)[nH+]1 ZINC000337993582 526535242 /nfs/dbraw/zinc/53/52/42/526535242.db2.gz JXNRATYETHAGOS-MOPGFXCFSA-N 2 2 309.457 3.642 20 0 DHADLP c1coc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc2)c1 ZINC000163178185 526569700 /nfs/dbraw/zinc/56/97/00/526569700.db2.gz OFLSDEVXFBKNIT-HXUWFJFHSA-N 2 2 310.441 3.833 20 0 DHADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266918582 526740473 /nfs/dbraw/zinc/74/04/73/526740473.db2.gz LFQMJULCCZXNFT-INIZCTEOSA-N 2 2 322.412 3.753 20 0 DHADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266918582 526740479 /nfs/dbraw/zinc/74/04/79/526740479.db2.gz LFQMJULCCZXNFT-INIZCTEOSA-N 2 2 322.412 3.753 20 0 DHADLP Clc1c[nH+]ccc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000267327007 527001025 /nfs/dbraw/zinc/00/10/25/527001025.db2.gz BDEMJQYSVUNEHD-UHFFFAOYSA-N 2 2 302.809 3.732 20 0 DHADLP Clc1c[nH+]ccc1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000267203294 527001057 /nfs/dbraw/zinc/00/10/57/527001057.db2.gz ALWFGASOKUSJNH-UHFFFAOYSA-N 2 2 312.804 3.995 20 0 DHADLP Cn1c(CCC[NH2+]Cc2cccc3cc[nH]c32)[nH+]c2ccccc21 ZINC000237848612 527048383 /nfs/dbraw/zinc/04/83/83/527048383.db2.gz JLGRMWHWGHEZBB-UHFFFAOYSA-N 2 2 318.424 3.777 20 0 DHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)C2)s1 ZINC000364840111 527257813 /nfs/dbraw/zinc/25/78/13/527257813.db2.gz MNPOKJDXACIRPU-CZUORRHYSA-N 2 2 309.523 3.688 20 0 DHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)C2)s1 ZINC000364840111 527257819 /nfs/dbraw/zinc/25/78/19/527257819.db2.gz MNPOKJDXACIRPU-CZUORRHYSA-N 2 2 309.523 3.688 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCCS2)n1-c1ccccc1 ZINC000156407978 527270209 /nfs/dbraw/zinc/27/02/09/527270209.db2.gz URJAVGQKSCXYTC-KRWDZBQOSA-N 2 2 301.459 3.556 20 0 DHADLP Cc1nc(NCc2ccccc2C[N@H+](C)Cc2ccco2)cc[nH+]1 ZINC000266301046 527350703 /nfs/dbraw/zinc/35/07/03/527350703.db2.gz YOPBIROAPWSRJV-UHFFFAOYSA-N 2 2 322.412 3.622 20 0 DHADLP Cc1nc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc[nH+]1 ZINC000266301046 527350706 /nfs/dbraw/zinc/35/07/06/527350706.db2.gz YOPBIROAPWSRJV-UHFFFAOYSA-N 2 2 322.412 3.622 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338281435 527444638 /nfs/dbraw/zinc/44/46/38/527444638.db2.gz DOTUTNJUMNPBCM-CABCVRRESA-N 2 2 311.420 3.500 20 0 DHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338281435 527444643 /nfs/dbraw/zinc/44/46/43/527444643.db2.gz DOTUTNJUMNPBCM-CABCVRRESA-N 2 2 311.420 3.500 20 0 DHADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000130150865 527679014 /nfs/dbraw/zinc/67/90/14/527679014.db2.gz SDKOAGNMJSKOEO-STQMWFEESA-N 2 2 301.356 3.594 20 0 DHADLP FC(F)O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337281169 527695401 /nfs/dbraw/zinc/69/54/01/527695401.db2.gz HRDBBJHFPQHIGN-HOTGVXAUSA-N 2 2 321.371 3.512 20 0 DHADLP Cc1[nH+]c2c(n1[C@@H]1CCN(c3cc[nH+]cc3Cl)C1)CCCC2 ZINC000275411117 563626416 /nfs/dbraw/zinc/62/64/16/563626416.db2.gz QQWGHRBMZFHIBY-CYBMUJFWSA-N 2 2 316.836 3.570 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180816384 1013145745 /nfs/dbraw/zinc/14/57/45/1013145745.db2.gz HINXZWLAPZLLIV-MRXNPFEDSA-N 2 2 314.429 3.893 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180816384 1013145755 /nfs/dbraw/zinc/14/57/55/1013145755.db2.gz HINXZWLAPZLLIV-MRXNPFEDSA-N 2 2 314.429 3.893 20 0 DHADLP C[C@H]1CC(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC001209397944 1013217501 /nfs/dbraw/zinc/21/75/01/1013217501.db2.gz LZESLYPBLLOJLG-HOTGVXAUSA-N 2 2 313.445 3.508 20 0 DHADLP C[C@H]1CC(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC001209397944 1013217509 /nfs/dbraw/zinc/21/75/09/1013217509.db2.gz LZESLYPBLLOJLG-HOTGVXAUSA-N 2 2 313.445 3.508 20 0 DHADLP COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155127883 1013232954 /nfs/dbraw/zinc/23/29/54/1013232954.db2.gz OFDUOCJNYXHYIP-CABCVRRESA-N 2 2 301.434 3.727 20 0 DHADLP Fc1ccccc1C1CC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000519073044 1013272638 /nfs/dbraw/zinc/27/26/38/1013272638.db2.gz GDWNRZPJEXSZKA-VMBOVVBDSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1ccccc1C1CC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000519073044 1013272649 /nfs/dbraw/zinc/27/26/49/1013272649.db2.gz GDWNRZPJEXSZKA-VMBOVVBDSA-N 2 2 302.437 3.678 20 0 DHADLP Cc1cnc(Cl)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000894456083 1013374069 /nfs/dbraw/zinc/37/40/69/1013374069.db2.gz KVZHIODZVQLAML-UHFFFAOYSA-N 2 2 317.864 3.737 20 0 DHADLP Cc1cnc(Cl)c(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000894456083 1013374073 /nfs/dbraw/zinc/37/40/73/1013374073.db2.gz KVZHIODZVQLAML-UHFFFAOYSA-N 2 2 317.864 3.737 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000754125998 1013410491 /nfs/dbraw/zinc/41/04/91/1013410491.db2.gz YVENZESFDQNMHQ-QLFBSQMISA-N 2 2 309.523 3.808 20 0 DHADLP CC1(C)CC([NH2+]Cc2coc(-c3ccccc3)n2)CC(C)(C)[NH2+]1 ZINC000236740089 1013433991 /nfs/dbraw/zinc/43/39/91/1013433991.db2.gz GOYXAAFMTDEZOF-UHFFFAOYSA-N 2 2 313.445 3.740 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000319978673 1013500564 /nfs/dbraw/zinc/50/05/64/1013500564.db2.gz XCQRXXDCHYQQIC-BBRMVZONSA-N 2 2 316.405 3.557 20 0 DHADLP Cc1cc([C@@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)no1 ZINC001167985551 1013525304 /nfs/dbraw/zinc/52/53/04/1013525304.db2.gz YHUXENQRUAUUOI-RZRMAFQFSA-N 2 2 315.461 3.525 20 0 DHADLP Cc1cc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)no1 ZINC001167985551 1013525310 /nfs/dbraw/zinc/52/53/10/1013525310.db2.gz YHUXENQRUAUUOI-RZRMAFQFSA-N 2 2 315.461 3.525 20 0 DHADLP Cc1cc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)no1 ZINC001167985551 1013525316 /nfs/dbraw/zinc/52/53/16/1013525316.db2.gz YHUXENQRUAUUOI-RZRMAFQFSA-N 2 2 315.461 3.525 20 0 DHADLP Cc1cc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)no1 ZINC001167985551 1013525321 /nfs/dbraw/zinc/52/53/21/1013525321.db2.gz YHUXENQRUAUUOI-RZRMAFQFSA-N 2 2 315.461 3.525 20 0 DHADLP C[C@H](C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000237584771 1013537205 /nfs/dbraw/zinc/53/72/05/1013537205.db2.gz NGNORCWYMRBOTR-QGZVFWFLSA-N 2 2 305.425 3.825 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+]CCC(C)(C)C)CCOCC1)c1ccccc1 ZINC000187975526 1013561626 /nfs/dbraw/zinc/56/16/26/1013561626.db2.gz KTQVLIRTUNDNBF-KRWDZBQOSA-N 2 2 318.505 3.912 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655759590 1013689755 /nfs/dbraw/zinc/68/97/55/1013689755.db2.gz PCIIWNMZNPCGID-GDBMZVCRSA-N 2 2 322.880 3.634 20 0 DHADLP C(=C\c1ccncc1)\C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000441351826 1013719470 /nfs/dbraw/zinc/71/94/70/1013719470.db2.gz SQUXKCJKZFFPRW-PLNGDYQASA-N 2 2 313.489 3.731 20 0 DHADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCO1 ZINC000441349526 1013724415 /nfs/dbraw/zinc/72/44/15/1013724415.db2.gz FYADFFSFMAOGCQ-RBUKOAKNSA-N 2 2 322.537 3.826 20 0 DHADLP CC(C)(C)c1ncc(C[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000340426189 1013766639 /nfs/dbraw/zinc/76/66/39/1013766639.db2.gz MUIAVOKPZBZBSE-UHFFFAOYSA-N 2 2 307.507 3.547 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848420 1013773784 /nfs/dbraw/zinc/77/37/84/1013773784.db2.gz IYRBMAUWMYDJPL-JQHSSLGASA-N 2 2 302.462 3.671 20 0 DHADLP COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848420 1013773786 /nfs/dbraw/zinc/77/37/86/1013773786.db2.gz IYRBMAUWMYDJPL-JQHSSLGASA-N 2 2 302.462 3.671 20 0 DHADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2F)o1)Cn1cc[nH+]c1 ZINC000340433240 1013780907 /nfs/dbraw/zinc/78/09/07/1013780907.db2.gz OHTKWWNWHFVGAF-AWEZNQCLSA-N 2 2 313.376 3.708 20 0 DHADLP Fc1ccc2c(c1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167995367 1013782466 /nfs/dbraw/zinc/78/24/66/1013782466.db2.gz COVSTWDQSARLDS-DFNIBXOVSA-N 2 2 300.421 3.547 20 0 DHADLP Fc1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167995367 1013782475 /nfs/dbraw/zinc/78/24/75/1013782475.db2.gz COVSTWDQSARLDS-DFNIBXOVSA-N 2 2 300.421 3.547 20 0 DHADLP Fc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167995367 1013782482 /nfs/dbraw/zinc/78/24/82/1013782482.db2.gz COVSTWDQSARLDS-DFNIBXOVSA-N 2 2 300.421 3.547 20 0 DHADLP Fc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167995367 1013782488 /nfs/dbraw/zinc/78/24/88/1013782488.db2.gz COVSTWDQSARLDS-DFNIBXOVSA-N 2 2 300.421 3.547 20 0 DHADLP Fc1cccc(C2CC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000655849145 1013778959 /nfs/dbraw/zinc/77/89/59/1013778959.db2.gz PKSXYKXRJZQCSY-FYOYPEGLSA-N 2 2 302.437 3.678 20 0 DHADLP Fc1cccc(C2CC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000655849145 1013778963 /nfs/dbraw/zinc/77/89/63/1013778963.db2.gz PKSXYKXRJZQCSY-FYOYPEGLSA-N 2 2 302.437 3.678 20 0 DHADLP c1csc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)n1 ZINC001167994708 1013779942 /nfs/dbraw/zinc/77/99/42/1013779942.db2.gz LREFCJYUSDKONW-WFVVYAPDSA-N 2 2 317.502 3.685 20 0 DHADLP c1csc([C@@H]2CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)n1 ZINC001167994708 1013779951 /nfs/dbraw/zinc/77/99/51/1013779951.db2.gz LREFCJYUSDKONW-WFVVYAPDSA-N 2 2 317.502 3.685 20 0 DHADLP c1csc([C@@H]2CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)n1 ZINC001167994708 1013779958 /nfs/dbraw/zinc/77/99/58/1013779958.db2.gz LREFCJYUSDKONW-WFVVYAPDSA-N 2 2 317.502 3.685 20 0 DHADLP c1csc([C@@H]2CCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)n1 ZINC001167994708 1013779965 /nfs/dbraw/zinc/77/99/65/1013779965.db2.gz LREFCJYUSDKONW-WFVVYAPDSA-N 2 2 317.502 3.685 20 0 DHADLP C[C@@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H]1c1ccccc1 ZINC000340445908 1013802036 /nfs/dbraw/zinc/80/20/36/1013802036.db2.gz VSAPVIJXGFQFKQ-CTNGQTDRSA-N 2 2 321.468 3.834 20 0 DHADLP C[C@H]1C[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000683693753 1013866305 /nfs/dbraw/zinc/86/63/05/1013866305.db2.gz CQEZBMOZHLJESZ-MAUKXSAKSA-N 2 2 324.472 3.781 20 0 DHADLP C[C@H]1C[C@H](Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000683693753 1013866312 /nfs/dbraw/zinc/86/63/12/1013866312.db2.gz CQEZBMOZHLJESZ-MAUKXSAKSA-N 2 2 324.472 3.781 20 0 DHADLP CCCCCCOc1ccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210473263 1013876429 /nfs/dbraw/zinc/87/64/29/1013876429.db2.gz CIINLGREYVXBMU-QGZVFWFLSA-N 2 2 304.478 3.830 20 0 DHADLP CCCCCCOc1ccc(C[N@H+]2CC[NH2+][C@H](C)CC2)cc1 ZINC001210473263 1013876434 /nfs/dbraw/zinc/87/64/34/1013876434.db2.gz CIINLGREYVXBMU-QGZVFWFLSA-N 2 2 304.478 3.830 20 0 DHADLP CCOC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000189351343 1014178671 /nfs/dbraw/zinc/17/86/71/1014178671.db2.gz QGXALPMCRKEMCU-MAUKXSAKSA-N 2 2 301.434 3.584 20 0 DHADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnc(C4CCCCC4)s3)C2)C1 ZINC000520560170 1014337848 /nfs/dbraw/zinc/33/78/48/1014337848.db2.gz INDUUXHRFMIMPG-GOSISDBHSA-N 2 2 319.518 3.718 20 0 DHADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnc(C4CCCCC4)s3)C2)C1 ZINC000520560170 1014337857 /nfs/dbraw/zinc/33/78/57/1014337857.db2.gz INDUUXHRFMIMPG-GOSISDBHSA-N 2 2 319.518 3.718 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnc(C4CCCCC4)s3)C2)C1 ZINC000520560170 1014337868 /nfs/dbraw/zinc/33/78/68/1014337868.db2.gz INDUUXHRFMIMPG-GOSISDBHSA-N 2 2 319.518 3.718 20 0 DHADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnc(C4CCCCC4)s3)C2)C1 ZINC000520560170 1014337880 /nfs/dbraw/zinc/33/78/80/1014337880.db2.gz INDUUXHRFMIMPG-GOSISDBHSA-N 2 2 319.518 3.718 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CC34CCCC4)CC2)cc1 ZINC000760041867 1014372139 /nfs/dbraw/zinc/37/21/39/1014372139.db2.gz RLUQELUXQGBNOZ-IBGZPJMESA-N 2 2 313.489 3.644 20 0 DHADLP CC(C)[C@H]1C[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CS1 ZINC000895112119 1014442259 /nfs/dbraw/zinc/44/22/59/1014442259.db2.gz LYSBHLYIAUESIV-LUKYLMHMSA-N 2 2 319.518 3.688 20 0 DHADLP Fc1ccccc1[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000427844793 1014535445 /nfs/dbraw/zinc/53/54/45/1014535445.db2.gz DKGXZLROGOSKMU-KXBFYZLASA-N 2 2 313.420 3.858 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427843078 1014535589 /nfs/dbraw/zinc/53/55/89/1014535589.db2.gz LSCXBKOZVRLCRR-WCQYABFASA-N 2 2 318.490 3.611 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(-c2ccncc2)cc1 ZINC000427838566 1014537441 /nfs/dbraw/zinc/53/74/41/1014537441.db2.gz BSJANAVAAJYUEG-KXBFYZLASA-N 2 2 318.424 3.611 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1N(C)C ZINC000665250902 1014560279 /nfs/dbraw/zinc/56/02/79/1014560279.db2.gz BNCPINIUGLCZQR-PWIZWCRZSA-N 2 2 323.484 3.549 20 0 DHADLP Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CCC2 ZINC000665252141 1014562321 /nfs/dbraw/zinc/56/23/21/1014562321.db2.gz IEQJUTJRMCBAHR-HMXCVIKNSA-N 2 2 322.452 3.505 20 0 DHADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665253095 1014563780 /nfs/dbraw/zinc/56/37/80/1014563780.db2.gz GXTQCCKBBKQFCZ-FSPWUOQZSA-N 2 2 318.461 3.554 20 0 DHADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cs1 ZINC000665252619 1014566429 /nfs/dbraw/zinc/56/64/29/1014566429.db2.gz USDKJQVMPUWMKL-ZTFGCOKTSA-N 2 2 300.471 3.853 20 0 DHADLP COc1ccc([C@H]([NH2+]CC[C@]2(C)CC2(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000665266997 1014603776 /nfs/dbraw/zinc/60/37/76/1014603776.db2.gz NQCHDPYGIJBDPI-YESZJQIVSA-N 2 2 324.415 3.513 20 0 DHADLP C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000665268164 1014604616 /nfs/dbraw/zinc/60/46/16/1014604616.db2.gz JBYNSXUDPFHQFJ-XOBRGWDASA-N 2 2 318.424 3.793 20 0 DHADLP C[C@@H]1[C@@H]([NH2+]CC[C@H]2CC2(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000621768757 1014653256 /nfs/dbraw/zinc/65/32/56/1014653256.db2.gz UNYNOVGGGCGTBA-PVAVHDDUSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1[C@@H]([NH2+]CC[C@H]2CC2(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000621768757 1014653262 /nfs/dbraw/zinc/65/32/62/1014653262.db2.gz UNYNOVGGGCGTBA-PVAVHDDUSA-N 2 2 308.416 3.674 20 0 DHADLP CSc1ccccc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000442706811 1014719306 /nfs/dbraw/zinc/71/93/06/1014719306.db2.gz FGVHQCONWJZRHB-CQSZACIVSA-N 2 2 315.486 3.835 20 0 DHADLP C[NH2+]C[C@H](C)[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000665298176 1014750176 /nfs/dbraw/zinc/75/01/76/1014750176.db2.gz TUJRVEOPXBHREY-WFASDCNBSA-N 2 2 308.878 3.883 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000090187999 1015024875 /nfs/dbraw/zinc/02/48/75/1015024875.db2.gz JQIKGCUTIVIYPR-CQSZACIVSA-N 2 2 300.368 3.582 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000090187999 1015024887 /nfs/dbraw/zinc/02/48/87/1015024887.db2.gz JQIKGCUTIVIYPR-CQSZACIVSA-N 2 2 300.368 3.582 20 0 DHADLP CC1([NH+]2CCC2)CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000895672062 1015254408 /nfs/dbraw/zinc/25/44/08/1015254408.db2.gz VIDDCCXOEYLGRB-UHFFFAOYSA-N 2 2 302.393 3.632 20 0 DHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895707282 1015267834 /nfs/dbraw/zinc/26/78/34/1015267834.db2.gz PVEBYJSATQOYEW-JXFKEZNVSA-N 2 2 321.424 3.551 20 0 DHADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000474473899 1015387925 /nfs/dbraw/zinc/38/79/25/1015387925.db2.gz QVHXROFSKFLZET-DLBZAZTESA-N 2 2 303.494 3.956 20 0 DHADLP c1cc2cc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)ccc2[nH]1 ZINC000896194695 1015502901 /nfs/dbraw/zinc/50/29/01/1015502901.db2.gz QQJCKDRGILTXOL-UHFFFAOYSA-N 2 2 306.413 3.639 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC000131009838 1015586658 /nfs/dbraw/zinc/58/66/58/1015586658.db2.gz JHFKGUSIMVLPOZ-PQUAAJSLSA-N 2 2 301.478 3.775 20 0 DHADLP C[C@@H]1CC([N@H+](C)Cc2cccnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042599 1015628378 /nfs/dbraw/zinc/62/83/78/1015628378.db2.gz ZYLOZTFUHFEPRA-QZTJIDSGSA-N 2 2 323.484 3.955 20 0 DHADLP C[C@@H]1CC([N@@H+](C)Cc2cccnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042599 1015628383 /nfs/dbraw/zinc/62/83/83/1015628383.db2.gz ZYLOZTFUHFEPRA-QZTJIDSGSA-N 2 2 323.484 3.955 20 0 DHADLP Fc1cccc(Oc2ccc(C[NH2+]CCn3cc[nH+]c3)cc2)c1 ZINC000443962575 1015793855 /nfs/dbraw/zinc/79/38/55/1015793855.db2.gz GKXBYJCZTCEARN-UHFFFAOYSA-N 2 2 311.360 3.604 20 0 DHADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341915644 1015841544 /nfs/dbraw/zinc/84/15/44/1015841544.db2.gz WXNHHFAALARJNW-RLLQIKCJSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341915644 1015841551 /nfs/dbraw/zinc/84/15/51/1015841551.db2.gz WXNHHFAALARJNW-RLLQIKCJSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341915644 1015841558 /nfs/dbraw/zinc/84/15/58/1015841558.db2.gz WXNHHFAALARJNW-RLLQIKCJSA-N 2 2 316.489 3.540 20 0 DHADLP CC[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341915644 1015841562 /nfs/dbraw/zinc/84/15/62/1015841562.db2.gz WXNHHFAALARJNW-RLLQIKCJSA-N 2 2 316.489 3.540 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)CC(F)F ZINC000647226338 1015870133 /nfs/dbraw/zinc/87/01/33/1015870133.db2.gz CMAXQQDNJDRHMC-ZBFHGGJFSA-N 2 2 310.432 3.920 20 0 DHADLP C[C@@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)CC(F)F ZINC000647226338 1015870137 /nfs/dbraw/zinc/87/01/37/1015870137.db2.gz CMAXQQDNJDRHMC-ZBFHGGJFSA-N 2 2 310.432 3.920 20 0 DHADLP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)on2)cc1 ZINC000277136030 1015903951 /nfs/dbraw/zinc/90/39/51/1015903951.db2.gz ITEPFPQWJIQJKV-KRWDZBQOSA-N 2 2 313.445 3.566 20 0 DHADLP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)on2)cc1 ZINC000277136030 1015903958 /nfs/dbraw/zinc/90/39/58/1015903958.db2.gz ITEPFPQWJIQJKV-KRWDZBQOSA-N 2 2 313.445 3.566 20 0 DHADLP CCCC[C@H](COC)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151699003 1016135937 /nfs/dbraw/zinc/13/59/37/1016135937.db2.gz GFIYNFDEGHKSKB-DOTOQJQBSA-N 2 2 301.434 3.728 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000277392172 1016271089 /nfs/dbraw/zinc/27/10/89/1016271089.db2.gz YWEKZSYMGUFPLR-GOSISDBHSA-N 2 2 316.489 3.731 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000277392172 1016271096 /nfs/dbraw/zinc/27/10/96/1016271096.db2.gz YWEKZSYMGUFPLR-GOSISDBHSA-N 2 2 316.489 3.731 20 0 DHADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000152118330 1016350795 /nfs/dbraw/zinc/35/07/95/1016350795.db2.gz ZZQONGSDFFTAMI-INIZCTEOSA-N 2 2 321.424 3.791 20 0 DHADLP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152222932 1016404073 /nfs/dbraw/zinc/40/40/73/1016404073.db2.gz ZNGQDJZQPJYONN-LJQANCHMSA-N 2 2 303.409 3.958 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000152259324 1016436713 /nfs/dbraw/zinc/43/67/13/1016436713.db2.gz MWZQXWKMBGRZSB-OAHLLOKOSA-N 2 2 307.397 3.732 20 0 DHADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C[C@H]12 ZINC000346862018 1016603400 /nfs/dbraw/zinc/60/34/00/1016603400.db2.gz WIKWGZKIMZRDRZ-DUFXMDAXSA-N 2 2 318.770 3.528 20 0 DHADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C[C@H]12 ZINC000346862018 1016603404 /nfs/dbraw/zinc/60/34/04/1016603404.db2.gz WIKWGZKIMZRDRZ-DUFXMDAXSA-N 2 2 318.770 3.528 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347094182 1016727263 /nfs/dbraw/zinc/72/72/63/1016727263.db2.gz QNCYIMJCGUBTFA-UKRRQHHQSA-N 2 2 302.805 3.949 20 0 DHADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347094182 1016727284 /nfs/dbraw/zinc/72/72/84/1016727284.db2.gz QNCYIMJCGUBTFA-UKRRQHHQSA-N 2 2 302.805 3.949 20 0 DHADLP CCOC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000336875169 1016731863 /nfs/dbraw/zinc/73/18/63/1016731863.db2.gz BMCUUWBFNCVJGR-INIZCTEOSA-N 2 2 313.445 3.872 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347104147 1016742830 /nfs/dbraw/zinc/74/28/30/1016742830.db2.gz ZCKGJLGLUJOGEL-CXAGYDPISA-N 2 2 302.805 3.949 20 0 DHADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347104147 1016742844 /nfs/dbraw/zinc/74/28/44/1016742844.db2.gz ZCKGJLGLUJOGEL-CXAGYDPISA-N 2 2 302.805 3.949 20 0 DHADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243842 1016745307 /nfs/dbraw/zinc/74/53/07/1016745307.db2.gz OXAAHFXVUSAUPN-ZDUSSCGKSA-N 2 2 321.371 3.883 20 0 DHADLP Fc1ccc(C[N@H+](CCn2cc[nH+]c2)C2CCCCC2)cc1 ZINC000342587050 1016808624 /nfs/dbraw/zinc/80/86/24/1016808624.db2.gz TWMAPSBRZDQEAL-UHFFFAOYSA-N 2 2 301.409 3.857 20 0 DHADLP Fc1ccc(C[N@@H+](CCn2cc[nH+]c2)C2CCCCC2)cc1 ZINC000342587050 1016808643 /nfs/dbraw/zinc/80/86/43/1016808643.db2.gz TWMAPSBRZDQEAL-UHFFFAOYSA-N 2 2 301.409 3.857 20 0 DHADLP CC(C)COc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000342637792 1016894508 /nfs/dbraw/zinc/89/45/08/1016894508.db2.gz PUEDBZMATIRINO-UHFFFAOYSA-N 2 2 313.445 3.824 20 0 DHADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000262436795 1017007862 /nfs/dbraw/zinc/00/78/62/1017007862.db2.gz GKVDRYDGUVSVSC-RRQGHBQHSA-N 2 2 322.880 3.749 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152814945 1017022804 /nfs/dbraw/zinc/02/28/04/1017022804.db2.gz PVSBABLEAFVZEY-QGZVFWFLSA-N 2 2 315.848 3.692 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CCC2 ZINC000361922570 1032154662 /nfs/dbraw/zinc/15/46/62/1032154662.db2.gz AOVBDTQUOHWZHS-GOSISDBHSA-N 2 2 311.429 3.559 20 0 DHADLP CC(C)[C@H]1C[C@H]([N@@H+]2Cc3cccc(Br)c3C2)CC[NH2+]1 ZINC001246794366 1032205160 /nfs/dbraw/zinc/20/51/60/1032205160.db2.gz DXGMVVAXSNRSDQ-CZUORRHYSA-N 2 2 323.278 3.541 20 0 DHADLP CC(C)[C@H]1C[C@H]([N@H+]2Cc3cccc(Br)c3C2)CC[NH2+]1 ZINC001246794366 1032205173 /nfs/dbraw/zinc/20/51/73/1032205173.db2.gz DXGMVVAXSNRSDQ-CZUORRHYSA-N 2 2 323.278 3.541 20 0 DHADLP FC(F)(F)c1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cs1 ZINC000623511630 1017077715 /nfs/dbraw/zinc/07/77/15/1017077715.db2.gz YAYPEINNNVTHNE-UHFFFAOYSA-N 2 2 318.408 3.873 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCC2CC2)C[C@@H]1C ZINC000537616640 1032288274 /nfs/dbraw/zinc/28/82/74/1032288274.db2.gz UMDPWVYEXHOCGH-QFBILLFUSA-N 2 2 316.489 3.780 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCC2CC2)C[C@@H]1C ZINC000537616640 1032288286 /nfs/dbraw/zinc/28/82/86/1032288286.db2.gz UMDPWVYEXHOCGH-QFBILLFUSA-N 2 2 316.489 3.780 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OCC2CC2)C[C@@H]1C ZINC000537616640 1032288300 /nfs/dbraw/zinc/28/83/00/1032288300.db2.gz UMDPWVYEXHOCGH-QFBILLFUSA-N 2 2 316.489 3.780 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OCC2CC2)C[C@@H]1C ZINC000537616640 1032288319 /nfs/dbraw/zinc/28/83/19/1032288319.db2.gz UMDPWVYEXHOCGH-QFBILLFUSA-N 2 2 316.489 3.780 20 0 DHADLP c1cn(CCC[NH2+]C(Cc2ccccc2)Cc2ccccc2)c[nH+]1 ZINC000120496029 1032373023 /nfs/dbraw/zinc/37/30/23/1032373023.db2.gz LFJYNTQXPMVXSE-UHFFFAOYSA-N 2 2 319.452 3.717 20 0 DHADLP C[C@H]1CC([NH+]2CC(C(F)F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168066102 1017260981 /nfs/dbraw/zinc/26/09/81/1017260981.db2.gz LIMFHXGLRPQRMB-KBPBESRZSA-N 2 2 308.416 3.625 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000237446820 1017092537 /nfs/dbraw/zinc/09/25/37/1017092537.db2.gz ZDYXVNOVVABZRT-CYBMUJFWSA-N 2 2 304.409 3.824 20 0 DHADLP COCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000092587894 1032503893 /nfs/dbraw/zinc/50/38/93/1032503893.db2.gz POLAHMBKMZSLGM-DLBZAZTESA-N 2 2 320.477 3.512 20 0 DHADLP COCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000092587894 1032503899 /nfs/dbraw/zinc/50/38/99/1032503899.db2.gz POLAHMBKMZSLGM-DLBZAZTESA-N 2 2 320.477 3.512 20 0 DHADLP COCc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000092587894 1032503903 /nfs/dbraw/zinc/50/39/03/1032503903.db2.gz POLAHMBKMZSLGM-DLBZAZTESA-N 2 2 320.477 3.512 20 0 DHADLP COCc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000092587894 1032503906 /nfs/dbraw/zinc/50/39/06/1032503906.db2.gz POLAHMBKMZSLGM-DLBZAZTESA-N 2 2 320.477 3.512 20 0 DHADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683742 1032550209 /nfs/dbraw/zinc/55/02/09/1032550209.db2.gz QDSCPPUUAWEJCO-HNNXBMFYSA-N 2 2 321.534 3.748 20 0 DHADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683742 1032550212 /nfs/dbraw/zinc/55/02/12/1032550212.db2.gz QDSCPPUUAWEJCO-HNNXBMFYSA-N 2 2 321.534 3.748 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(F)n2)cc1 ZINC000773091327 1032554367 /nfs/dbraw/zinc/55/43/67/1032554367.db2.gz WGEIICRPEMAMSG-CYBMUJFWSA-N 2 2 310.376 3.566 20 0 DHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093742042 1032554483 /nfs/dbraw/zinc/55/44/83/1032554483.db2.gz ATRUDXALJKIYRO-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093742042 1032554486 /nfs/dbraw/zinc/55/44/86/1032554486.db2.gz ATRUDXALJKIYRO-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093742042 1032554489 /nfs/dbraw/zinc/55/44/89/1032554489.db2.gz ATRUDXALJKIYRO-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093742042 1032554493 /nfs/dbraw/zinc/55/44/93/1032554493.db2.gz ATRUDXALJKIYRO-OAHLLOKOSA-N 2 2 321.534 3.964 20 0 DHADLP CC[C@@H]1C[N@H+](Cc2ccc(OC(C)C)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647934948 1011943403 /nfs/dbraw/zinc/94/34/03/1011943403.db2.gz VKEPWYNJSKXVKU-ZBFHGGJFSA-N 2 2 310.869 3.686 20 0 DHADLP CC[C@@H]1C[N@@H+](Cc2ccc(OC(C)C)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647934948 1011943415 /nfs/dbraw/zinc/94/34/15/1011943415.db2.gz VKEPWYNJSKXVKU-ZBFHGGJFSA-N 2 2 310.869 3.686 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)cc1F ZINC000424378510 1012011765 /nfs/dbraw/zinc/01/17/65/1012011765.db2.gz SVQPUXNPUYFIBU-CUOATXAZSA-N 2 2 315.230 3.509 20 0 DHADLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167954264 1012132737 /nfs/dbraw/zinc/13/27/37/1012132737.db2.gz BTDIKIQYMTZHOS-ALXJQNPVSA-N 2 2 302.437 3.520 20 0 DHADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167954264 1012132745 /nfs/dbraw/zinc/13/27/45/1012132745.db2.gz BTDIKIQYMTZHOS-ALXJQNPVSA-N 2 2 302.437 3.520 20 0 DHADLP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001206767651 1012204783 /nfs/dbraw/zinc/20/47/83/1012204783.db2.gz DCLZTBJQMPMLJA-VHSXEESVSA-N 2 2 322.321 3.543 20 0 DHADLP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001206767651 1012204798 /nfs/dbraw/zinc/20/47/98/1012204798.db2.gz DCLZTBJQMPMLJA-VHSXEESVSA-N 2 2 322.321 3.543 20 0 DHADLP CC(C)[N@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204423715 1012439842 /nfs/dbraw/zinc/43/98/42/1012439842.db2.gz GKAOEYCFBKSMRU-UHFFFAOYSA-N 2 2 312.404 3.593 20 0 DHADLP CC(C)[N@@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204423715 1012439848 /nfs/dbraw/zinc/43/98/48/1012439848.db2.gz GKAOEYCFBKSMRU-UHFFFAOYSA-N 2 2 312.404 3.593 20 0 DHADLP CS[C@H]1CC[C@@H]1[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000425370332 1012502897 /nfs/dbraw/zinc/50/28/97/1012502897.db2.gz NWXBDFNNMDKVEC-IRXDYDNUSA-N 2 2 304.503 3.525 20 0 DHADLP CS[C@H]1CC[C@@H]1[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000425370332 1012502916 /nfs/dbraw/zinc/50/29/16/1012502916.db2.gz NWXBDFNNMDKVEC-IRXDYDNUSA-N 2 2 304.503 3.525 20 0 DHADLP CS[C@H]1CC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000425375255 1012509558 /nfs/dbraw/zinc/50/95/58/1012509558.db2.gz ZBOKPNAPDIRWIA-ZFWWWQNUSA-N 2 2 307.850 3.509 20 0 DHADLP Cc1nc(C(C)C)ccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000339005820 1032650029 /nfs/dbraw/zinc/65/00/29/1032650029.db2.gz BSSJOYCQZTYBLV-SFHVURJKSA-N 2 2 303.494 3.820 20 0 DHADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000339005820 1032650042 /nfs/dbraw/zinc/65/00/42/1032650042.db2.gz BSSJOYCQZTYBLV-SFHVURJKSA-N 2 2 303.494 3.820 20 0 DHADLP Cc1nc(C(C)C)ccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000339005820 1032650050 /nfs/dbraw/zinc/65/00/50/1032650050.db2.gz BSSJOYCQZTYBLV-SFHVURJKSA-N 2 2 303.494 3.820 20 0 DHADLP Cc1nc(C(C)C)ccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000339005820 1032650055 /nfs/dbraw/zinc/65/00/55/1032650055.db2.gz BSSJOYCQZTYBLV-SFHVURJKSA-N 2 2 303.494 3.820 20 0 DHADLP Cc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1C ZINC000517535365 1013003501 /nfs/dbraw/zinc/00/35/01/1013003501.db2.gz FXUFENHTSADFPR-UHFFFAOYSA-N 2 2 318.530 3.755 20 0 DHADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000877743969 1033430680 /nfs/dbraw/zinc/43/06/80/1033430680.db2.gz ZCLYZECNQYLXJM-UKRRQHHQSA-N 2 2 312.429 3.527 20 0 DHADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000877743969 1033430688 /nfs/dbraw/zinc/43/06/88/1033430688.db2.gz ZCLYZECNQYLXJM-UKRRQHHQSA-N 2 2 312.429 3.527 20 0 DHADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000877743969 1033430693 /nfs/dbraw/zinc/43/06/93/1033430693.db2.gz ZCLYZECNQYLXJM-UKRRQHHQSA-N 2 2 312.429 3.527 20 0 DHADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(SC(F)F)cc3)CC[C@H]21 ZINC000877743969 1033430696 /nfs/dbraw/zinc/43/06/96/1033430696.db2.gz ZCLYZECNQYLXJM-UKRRQHHQSA-N 2 2 312.429 3.527 20 0 DHADLP Fc1cccc(Cl)c1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000475350145 1017160267 /nfs/dbraw/zinc/16/02/67/1017160267.db2.gz IVARELLIMPETKX-HNNXBMFYSA-N 2 2 324.871 3.829 20 0 DHADLP Fc1cccc(Cl)c1CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000475350145 1017160273 /nfs/dbraw/zinc/16/02/73/1017160273.db2.gz IVARELLIMPETKX-HNNXBMFYSA-N 2 2 324.871 3.829 20 0 DHADLP C[C@@H](CCC1CCCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655715145 1017222956 /nfs/dbraw/zinc/22/29/56/1017222956.db2.gz HZPWDQOZCRGRPQ-QFBILLFUSA-N 2 2 308.510 3.578 20 0 DHADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000877743971 1033432468 /nfs/dbraw/zinc/43/24/68/1033432468.db2.gz ZCLYZECNQYLXJM-ZFWWWQNUSA-N 2 2 312.429 3.527 20 0 DHADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000877743971 1033432476 /nfs/dbraw/zinc/43/24/76/1033432476.db2.gz ZCLYZECNQYLXJM-ZFWWWQNUSA-N 2 2 312.429 3.527 20 0 DHADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000877743971 1033432482 /nfs/dbraw/zinc/43/24/82/1033432482.db2.gz ZCLYZECNQYLXJM-ZFWWWQNUSA-N 2 2 312.429 3.527 20 0 DHADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(SC(F)F)cc3)CC[C@@H]21 ZINC000877743971 1033432488 /nfs/dbraw/zinc/43/24/88/1033432488.db2.gz ZCLYZECNQYLXJM-ZFWWWQNUSA-N 2 2 312.429 3.527 20 0 DHADLP Clc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000075799851 1017363568 /nfs/dbraw/zinc/36/35/68/1017363568.db2.gz DKTCUTNHLQWQBQ-UHFFFAOYSA-N 2 2 318.848 3.730 20 0 DHADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000657564765 1017400393 /nfs/dbraw/zinc/40/03/93/1017400393.db2.gz ZYOJDICSPHLNRP-JXQTWKCFSA-N 2 2 306.416 3.818 20 0 DHADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000657564765 1017400397 /nfs/dbraw/zinc/40/03/97/1017400397.db2.gz ZYOJDICSPHLNRP-JXQTWKCFSA-N 2 2 306.416 3.818 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccnc2ccccc12 ZINC000666972507 1032700797 /nfs/dbraw/zinc/70/07/97/1032700797.db2.gz UMDPAIRIEGVHGW-LJQANCHMSA-N 2 2 305.425 3.587 20 0 DHADLP C[C@@]1(F)CC[N@H+](Cc2ccccc2C[NH+]2CC[C@](C)(F)C2)C1 ZINC000347334863 1017488332 /nfs/dbraw/zinc/48/83/32/1017488332.db2.gz ACLJHVLXWXHMLQ-HDICACEKSA-N 2 2 308.416 3.554 20 0 DHADLP C[C@@]1(F)CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@](C)(F)C2)C1 ZINC000347334863 1017488346 /nfs/dbraw/zinc/48/83/46/1017488346.db2.gz ACLJHVLXWXHMLQ-HDICACEKSA-N 2 2 308.416 3.554 20 0 DHADLP C[C@@]1(F)CC[NH+](Cc2ccccc2C[N@H+]2CC[C@](C)(F)C2)C1 ZINC000347334863 1017488384 /nfs/dbraw/zinc/48/83/84/1017488384.db2.gz ACLJHVLXWXHMLQ-HDICACEKSA-N 2 2 308.416 3.554 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCCC23CC3)CC1 ZINC000623825657 1017524344 /nfs/dbraw/zinc/52/43/44/1017524344.db2.gz IACXXXHMQNRSRM-ZDUSSCGKSA-N 2 2 304.400 3.573 20 0 DHADLP Fc1ccc(S[C@@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000623852297 1017543633 /nfs/dbraw/zinc/54/36/33/1017543633.db2.gz SHGAFCAWLXAKMN-DLBZAZTESA-N 2 2 319.449 3.715 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000193122524 1017554975 /nfs/dbraw/zinc/55/49/75/1017554975.db2.gz WQRBXNBRJBHEDK-AEFFLSMTSA-N 2 2 311.473 3.888 20 0 DHADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000193122553 1017554995 /nfs/dbraw/zinc/55/49/95/1017554995.db2.gz WQRBXNBRJBHEDK-SJLPKXTDSA-N 2 2 311.473 3.888 20 0 DHADLP Cc1cc([NH+]2CCCC2)ccc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623929266 1017583702 /nfs/dbraw/zinc/58/37/02/1017583702.db2.gz VQJRHEXYHVXPOK-INIZCTEOSA-N 2 2 301.478 3.880 20 0 DHADLP Cc1cc([NH+]2CCCC2)ccc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623929266 1017583723 /nfs/dbraw/zinc/58/37/23/1017583723.db2.gz VQJRHEXYHVXPOK-INIZCTEOSA-N 2 2 301.478 3.880 20 0 DHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000119649973 1017635912 /nfs/dbraw/zinc/63/59/12/1017635912.db2.gz OVEWOKBGHKVMEK-CYBMUJFWSA-N 2 2 324.415 3.874 20 0 DHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc(F)cc(F)c1 ZINC000444709768 1017644837 /nfs/dbraw/zinc/64/48/37/1017644837.db2.gz RKKMEUMLDGAWCC-UHFFFAOYSA-N 2 2 313.351 3.783 20 0 DHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc(F)cc(F)c1 ZINC000444709768 1017644842 /nfs/dbraw/zinc/64/48/42/1017644842.db2.gz RKKMEUMLDGAWCC-UHFFFAOYSA-N 2 2 313.351 3.783 20 0 DHADLP Cc1cccc(C)c1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000059387089 1017780062 /nfs/dbraw/zinc/78/00/62/1017780062.db2.gz FIFYVTDYGDTCEA-UHFFFAOYSA-N 2 2 316.489 3.633 20 0 DHADLP C[NH+](C)CCC1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000182073309 1017856591 /nfs/dbraw/zinc/85/65/91/1017856591.db2.gz YNARTYXKRAKPQV-UHFFFAOYSA-N 2 2 316.276 3.552 20 0 DHADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)Cc1ccc(F)cc1Cl ZINC001172871164 1033443742 /nfs/dbraw/zinc/44/37/42/1033443742.db2.gz IOVSIFAQZZZDLX-CYBMUJFWSA-N 2 2 309.816 3.629 20 0 DHADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)Cc1ccc(F)cc1Cl ZINC001172871164 1033443747 /nfs/dbraw/zinc/44/37/47/1033443747.db2.gz IOVSIFAQZZZDLX-CYBMUJFWSA-N 2 2 309.816 3.629 20 0 DHADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2COCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000417357450 1018165541 /nfs/dbraw/zinc/16/55/41/1018165541.db2.gz GLOSPSKBMTYSER-CEWLAPEOSA-N 2 2 322.452 3.683 20 0 DHADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2COCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000417357450 1018165549 /nfs/dbraw/zinc/16/55/49/1018165549.db2.gz GLOSPSKBMTYSER-CEWLAPEOSA-N 2 2 322.452 3.683 20 0 DHADLP c1ccc(OCCCCC[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000446976442 1018306363 /nfs/dbraw/zinc/30/63/63/1018306363.db2.gz WSTQRVKYITZYGD-LJQANCHMSA-N 2 2 316.489 3.842 20 0 DHADLP c1ccc(OCCCCC[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000446976442 1018306377 /nfs/dbraw/zinc/30/63/77/1018306377.db2.gz WSTQRVKYITZYGD-LJQANCHMSA-N 2 2 316.489 3.842 20 0 DHADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CCCCC1)CC2 ZINC000427849667 1018337426 /nfs/dbraw/zinc/33/74/26/1018337426.db2.gz FZCOKDLBDIMYOM-PMACEKPBSA-N 2 2 323.484 3.979 20 0 DHADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001279615832 1018349586 /nfs/dbraw/zinc/34/95/86/1018349586.db2.gz XSWUMCARLDGJOR-SFHVURJKSA-N 2 2 317.864 3.739 20 0 DHADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001279615832 1018349609 /nfs/dbraw/zinc/34/96/09/1018349609.db2.gz XSWUMCARLDGJOR-SFHVURJKSA-N 2 2 317.864 3.739 20 0 DHADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001279615832 1018349620 /nfs/dbraw/zinc/34/96/20/1018349620.db2.gz XSWUMCARLDGJOR-SFHVURJKSA-N 2 2 317.864 3.739 20 0 DHADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001279615832 1018349631 /nfs/dbraw/zinc/34/96/31/1018349631.db2.gz XSWUMCARLDGJOR-SFHVURJKSA-N 2 2 317.864 3.739 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000525708552 1018358010 /nfs/dbraw/zinc/35/80/10/1018358010.db2.gz YIHRVDKPINNNEB-HIFRSBDPSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000525708552 1018358023 /nfs/dbraw/zinc/35/80/23/1018358023.db2.gz YIHRVDKPINNNEB-HIFRSBDPSA-N 2 2 316.420 3.966 20 0 DHADLP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)o2)cc1 ZINC000127936387 1032767707 /nfs/dbraw/zinc/76/77/07/1032767707.db2.gz PQVUOWBAXRCCIN-UHFFFAOYSA-N 2 2 310.441 3.971 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(-n2cccn2)cc1 ZINC000447599944 1018433491 /nfs/dbraw/zinc/43/34/91/1018433491.db2.gz KYWJINCNVOFPDO-OXJNMPFZSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1ccc(-n2cccn2)cc1 ZINC000447599944 1018433499 /nfs/dbraw/zinc/43/34/99/1018433499.db2.gz KYWJINCNVOFPDO-OXJNMPFZSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CC1(C)C ZINC000785478644 1018477068 /nfs/dbraw/zinc/47/70/68/1018477068.db2.gz XWSBJOZILBGVRS-DNVCBOLYSA-N 2 2 315.505 3.746 20 0 DHADLP C[C@H]1C[C@H]([NH2+][C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC001168093357 1018562683 /nfs/dbraw/zinc/56/26/83/1018562683.db2.gz VMGXRIMHHUTRRC-JOCLIGHLSA-N 2 2 310.441 3.585 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)F)cc1 ZINC000427841732 1018677885 /nfs/dbraw/zinc/67/78/85/1018677885.db2.gz IULYMFOMIPAOMK-DZGCQCFKSA-N 2 2 321.371 3.540 20 0 DHADLP Cc1cccc2c1CC[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)C2 ZINC001171558031 1032778650 /nfs/dbraw/zinc/77/86/50/1032778650.db2.gz ZUXCUVJXOUMLMC-PKOBYXMFSA-N 2 2 300.490 3.562 20 0 DHADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000765251306 1018729188 /nfs/dbraw/zinc/72/91/88/1018729188.db2.gz OMCRPZVMAQLBNU-IAGOWNOFSA-N 2 2 301.409 3.714 20 0 DHADLP CCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000785432274 1018779285 /nfs/dbraw/zinc/77/92/85/1018779285.db2.gz RSRCCXMBZVPSBJ-QGZVFWFLSA-N 2 2 319.424 3.625 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCC(C(F)(F)F)CC1 ZINC000354653559 1018842681 /nfs/dbraw/zinc/84/26/81/1018842681.db2.gz SDENBPQMPJCPRO-ABXWRUBCSA-N 2 2 315.383 3.545 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)C)nc2C)C[C@@H]1C ZINC000339011008 1032791233 /nfs/dbraw/zinc/79/12/33/1032791233.db2.gz OMPKQEKVQWDLQN-YJBOKZPZSA-N 2 2 303.494 3.818 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)C)nc2C)C[C@@H]1C ZINC000339011008 1032791246 /nfs/dbraw/zinc/79/12/46/1032791246.db2.gz OMPKQEKVQWDLQN-YJBOKZPZSA-N 2 2 303.494 3.818 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(C)C)nc2C)C[C@@H]1C ZINC000339011008 1032791262 /nfs/dbraw/zinc/79/12/62/1032791262.db2.gz OMPKQEKVQWDLQN-YJBOKZPZSA-N 2 2 303.494 3.818 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(C)C)nc2C)C[C@@H]1C ZINC000339011008 1032791279 /nfs/dbraw/zinc/79/12/79/1032791279.db2.gz OMPKQEKVQWDLQN-YJBOKZPZSA-N 2 2 303.494 3.818 20 0 DHADLP CC[C@H]1C[N@H+](Cc2nc3ccccc3c(C)c2Cl)CC[C@H]1[NH3+] ZINC000316825752 1018869637 /nfs/dbraw/zinc/86/96/37/1018869637.db2.gz KXWFSSSCSFESLZ-DZGCQCFKSA-N 2 2 317.864 3.756 20 0 DHADLP CC[C@H]1C[N@@H+](Cc2nc3ccccc3c(C)c2Cl)CC[C@H]1[NH3+] ZINC000316825752 1018869658 /nfs/dbraw/zinc/86/96/58/1018869658.db2.gz KXWFSSSCSFESLZ-DZGCQCFKSA-N 2 2 317.864 3.756 20 0 DHADLP FC(F)(F)c1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000628157572 1018891900 /nfs/dbraw/zinc/89/19/00/1018891900.db2.gz MJLKGCLIEWZMPI-UHFFFAOYSA-N 2 2 315.364 3.870 20 0 DHADLP CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccccn1 ZINC000158728690 1018906828 /nfs/dbraw/zinc/90/68/28/1018906828.db2.gz CUESHWIJZNUPNC-KRWDZBQOSA-N 2 2 321.428 3.602 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000450710684 1018935498 /nfs/dbraw/zinc/93/54/98/1018935498.db2.gz NSNNLAXZFFNUCM-ZFWWWQNUSA-N 2 2 305.372 3.958 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000261863680 1019014096 /nfs/dbraw/zinc/01/40/96/1019014096.db2.gz GHGYHRAYOWMPHP-GXTWGEPZSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000261863680 1019014111 /nfs/dbraw/zinc/01/41/11/1019014111.db2.gz GHGYHRAYOWMPHP-GXTWGEPZSA-N 2 2 319.836 3.554 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2ccncc2s1 ZINC000657838046 1019089474 /nfs/dbraw/zinc/08/94/74/1019089474.db2.gz NEOCFWPWGLYWRU-AEGPPILISA-N 2 2 301.459 3.574 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cc2ccncc2s1 ZINC000657838046 1019089489 /nfs/dbraw/zinc/08/94/89/1019089489.db2.gz NEOCFWPWGLYWRU-AEGPPILISA-N 2 2 301.459 3.574 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168697717 1019187243 /nfs/dbraw/zinc/18/72/43/1019187243.db2.gz IZLIAKAXEOMAMP-HOCLYGCPSA-N 2 2 306.881 3.517 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081658204 1019216611 /nfs/dbraw/zinc/21/66/11/1019216611.db2.gz MQBZGESLKLYIRJ-UKRRQHHQSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081658204 1019216620 /nfs/dbraw/zinc/21/66/20/1019216620.db2.gz MQBZGESLKLYIRJ-UKRRQHHQSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081658204 1019216630 /nfs/dbraw/zinc/21/66/30/1019216630.db2.gz MQBZGESLKLYIRJ-UKRRQHHQSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081658204 1019216640 /nfs/dbraw/zinc/21/66/40/1019216640.db2.gz MQBZGESLKLYIRJ-UKRRQHHQSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](C[NH2+]Cc1cnc(C2CCCCC2)s1)Cn1cc[nH+]c1 ZINC000084018297 1019260435 /nfs/dbraw/zinc/26/04/35/1019260435.db2.gz JKMOAMXTKOIAQS-AWEZNQCLSA-N 2 2 318.490 3.813 20 0 DHADLP Fc1ccc(C(F)(F)F)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998219 1032821433 /nfs/dbraw/zinc/82/14/33/1032821433.db2.gz IOOVATVTNYQXLG-ZDUSSCGKSA-N 2 2 316.342 3.609 20 0 DHADLP CC(C)[C@H](C[NH2+]C1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000075675313 1019321501 /nfs/dbraw/zinc/32/15/01/1019321501.db2.gz BAQGKRGNJBUSTR-IBGZPJMESA-N 2 2 318.530 3.555 20 0 DHADLP CC(C)[C@H](C[NH2+]C1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000075675313 1019321521 /nfs/dbraw/zinc/32/15/21/1019321521.db2.gz BAQGKRGNJBUSTR-IBGZPJMESA-N 2 2 318.530 3.555 20 0 DHADLP FCC1(CF)CC([NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000657859369 1019351235 /nfs/dbraw/zinc/35/12/35/1019351235.db2.gz SVSQPLACHAFMMW-GOSISDBHSA-N 2 2 322.443 3.719 20 0 DHADLP FCC1(CF)CC([NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000657859369 1019351247 /nfs/dbraw/zinc/35/12/47/1019351247.db2.gz SVSQPLACHAFMMW-GOSISDBHSA-N 2 2 322.443 3.719 20 0 DHADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000089614245 1019355973 /nfs/dbraw/zinc/35/59/73/1019355973.db2.gz WXQGSPVHRIPNPS-FOIQADDNSA-N 2 2 307.441 3.574 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000091334411 1019459923 /nfs/dbraw/zinc/45/99/23/1019459923.db2.gz XXQZDMIIIMPRJR-YLJYHZDGSA-N 2 2 314.473 3.753 20 0 DHADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C2CC2)cc1 ZINC000091334411 1019459947 /nfs/dbraw/zinc/45/99/47/1019459947.db2.gz XXQZDMIIIMPRJR-YLJYHZDGSA-N 2 2 314.473 3.753 20 0 DHADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc12 ZINC000092073863 1019502648 /nfs/dbraw/zinc/50/26/48/1019502648.db2.gz DZSFQBHUJNYMOC-MRXNPFEDSA-N 2 2 321.424 3.951 20 0 DHADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc12 ZINC000092073863 1019502659 /nfs/dbraw/zinc/50/26/59/1019502659.db2.gz DZSFQBHUJNYMOC-MRXNPFEDSA-N 2 2 321.424 3.951 20 0 DHADLP CCCCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072981 1019504509 /nfs/dbraw/zinc/50/45/09/1019504509.db2.gz ABTNGJMBFJUXCZ-KRWDZBQOSA-N 2 2 313.445 3.968 20 0 DHADLP CCCCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072981 1019504522 /nfs/dbraw/zinc/50/45/22/1019504522.db2.gz ABTNGJMBFJUXCZ-KRWDZBQOSA-N 2 2 313.445 3.968 20 0 DHADLP C[NH+]1C(C)(C)CC([NH+]2CCC3(CCCOC3)CC2)CC1(C)C ZINC001171643856 1032838332 /nfs/dbraw/zinc/83/83/32/1032838332.db2.gz WYBWMOHDTDYVFX-UHFFFAOYSA-N 2 2 308.510 3.530 20 0 DHADLP Cc1nc(C)c([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)s1 ZINC000170972762 1019568427 /nfs/dbraw/zinc/56/84/27/1019568427.db2.gz XVTMDLPCXMMROX-AWEZNQCLSA-N 2 2 317.502 3.933 20 0 DHADLP Cc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)s1 ZINC000170972762 1019568438 /nfs/dbraw/zinc/56/84/38/1019568438.db2.gz XVTMDLPCXMMROX-AWEZNQCLSA-N 2 2 317.502 3.933 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1N(C)C ZINC000093945338 1019593678 /nfs/dbraw/zinc/59/36/78/1019593678.db2.gz NCYOWHRNLGWFFW-MRXNPFEDSA-N 2 2 320.440 3.789 20 0 DHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ncc[nH]1 ZINC000286089492 1019878283 /nfs/dbraw/zinc/87/82/83/1019878283.db2.gz MQSFDNWSVWRUAZ-MRXNPFEDSA-N 2 2 312.461 3.637 20 0 DHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ncc[nH]1 ZINC000286370980 1019881463 /nfs/dbraw/zinc/88/14/63/1019881463.db2.gz ZPHKJEBXRULQAG-MRXNPFEDSA-N 2 2 312.461 3.637 20 0 DHADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(C(F)(F)F)c1 ZINC001143458464 1019914448 /nfs/dbraw/zinc/91/44/48/1019914448.db2.gz NTIZQMBYHFYOND-MRXNPFEDSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc(C(F)(F)F)c1 ZINC001143458464 1019914457 /nfs/dbraw/zinc/91/44/57/1019914457.db2.gz NTIZQMBYHFYOND-MRXNPFEDSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(C(F)(F)F)c1 ZINC001143458464 1019914464 /nfs/dbraw/zinc/91/44/64/1019914464.db2.gz NTIZQMBYHFYOND-MRXNPFEDSA-N 2 2 312.379 3.541 20 0 DHADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(C(F)(F)F)c1 ZINC001143458464 1019914467 /nfs/dbraw/zinc/91/44/67/1019914467.db2.gz NTIZQMBYHFYOND-MRXNPFEDSA-N 2 2 312.379 3.541 20 0 DHADLP CSC1CCC(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000922418677 1020068213 /nfs/dbraw/zinc/06/82/13/1020068213.db2.gz GAGOWHNHXVVYPD-UHFFFAOYSA-N 2 2 321.515 3.945 20 0 DHADLP CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658020868 1020094148 /nfs/dbraw/zinc/09/41/48/1020094148.db2.gz ZXYDVMYJMJXGCA-HUUCEWRRSA-N 2 2 303.837 3.531 20 0 DHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090568 1020135825 /nfs/dbraw/zinc/13/58/25/1020135825.db2.gz HVMBLOAFUKQRDH-MAUKXSAKSA-N 2 2 302.462 3.535 20 0 DHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090568 1020135830 /nfs/dbraw/zinc/13/58/30/1020135830.db2.gz HVMBLOAFUKQRDH-MAUKXSAKSA-N 2 2 302.462 3.535 20 0 DHADLP CC[NH+](CC)C1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168733551 1020236679 /nfs/dbraw/zinc/23/66/79/1020236679.db2.gz BJBMGQBDFWNXQF-MRXNPFEDSA-N 2 2 306.881 3.613 20 0 DHADLP c1cn(-c2csc(C[NH2+]C[C@H]3CCCC4(CCC4)O3)c2)c[nH+]1 ZINC000922807232 1020285729 /nfs/dbraw/zinc/28/57/29/1020285729.db2.gz RNJMWGYDBFBADM-OAHLLOKOSA-N 2 2 317.458 3.515 20 0 DHADLP C[NH+](C)CC(C)(C)CNc1cc[nH+]c(OCc2ccccc2)c1 ZINC001168766211 1020288282 /nfs/dbraw/zinc/28/82/82/1020288282.db2.gz FTOUUMSWDHGIRU-UHFFFAOYSA-N 2 2 313.445 3.660 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCNc3ccccc31)CCC2 ZINC000348074419 1020494316 /nfs/dbraw/zinc/49/43/16/1020494316.db2.gz LCUWCGGZBQZYHQ-MAUKXSAKSA-N 2 2 310.445 3.606 20 0 DHADLP CC(C)(C)c1cc[nH+]c(NCC2C[NH+](Cc3ccccc3)C2)c1 ZINC000716186444 1020513292 /nfs/dbraw/zinc/51/32/92/1020513292.db2.gz FCEQGYJGTNGNEO-UHFFFAOYSA-N 2 2 309.457 3.923 20 0 DHADLP CC(C)[N@H+]([C@H]1Cc2cccc(Cl)c2C1)C1CC[NH+](C)CC1 ZINC001168743633 1020517462 /nfs/dbraw/zinc/51/74/62/1020517462.db2.gz MHHOXDOAWIKICQ-INIZCTEOSA-N 2 2 306.881 3.612 20 0 DHADLP CC(C)[N@@H+]([C@H]1Cc2cccc(Cl)c2C1)C1CC[NH+](C)CC1 ZINC001168743633 1020517470 /nfs/dbraw/zinc/51/74/70/1020517470.db2.gz MHHOXDOAWIKICQ-INIZCTEOSA-N 2 2 306.881 3.612 20 0 DHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc2ccccc2o1 ZINC000278795807 1020548760 /nfs/dbraw/zinc/54/87/60/1020548760.db2.gz YXXQQMJSBUSZQJ-HZPDHXFCSA-N 2 2 316.445 3.584 20 0 DHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc2ccccc2o1 ZINC000278795807 1020548767 /nfs/dbraw/zinc/54/87/67/1020548767.db2.gz YXXQQMJSBUSZQJ-HZPDHXFCSA-N 2 2 316.445 3.584 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC3(CCCCC3)C2)s1 ZINC000347862836 1020611164 /nfs/dbraw/zinc/61/11/64/1020611164.db2.gz WOKWHZRLNHWKSD-UHFFFAOYSA-N 2 2 307.507 3.751 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC3(CCCCC3)C2)s1 ZINC000347862836 1020611167 /nfs/dbraw/zinc/61/11/67/1020611167.db2.gz WOKWHZRLNHWKSD-UHFFFAOYSA-N 2 2 307.507 3.751 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)s1 ZINC000347871936 1020622110 /nfs/dbraw/zinc/62/21/10/1020622110.db2.gz TWTCQKVRRKTDNV-CQSZACIVSA-N 2 2 309.523 3.853 20 0 DHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)s1 ZINC000347871936 1020622115 /nfs/dbraw/zinc/62/21/15/1020622115.db2.gz TWTCQKVRRKTDNV-CQSZACIVSA-N 2 2 309.523 3.853 20 0 DHADLP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347878010 1020641680 /nfs/dbraw/zinc/64/16/80/1020641680.db2.gz LTRBNHYFUVPLEX-YOEHRIQHSA-N 2 2 315.486 3.583 20 0 DHADLP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000347878010 1020641686 /nfs/dbraw/zinc/64/16/86/1020641686.db2.gz LTRBNHYFUVPLEX-YOEHRIQHSA-N 2 2 315.486 3.583 20 0 DHADLP C[NH+](C)CC(C)(C)CNc1cc[nH+]c2[nH]cc(C(F)(F)F)c21 ZINC001168769783 1020688326 /nfs/dbraw/zinc/68/83/26/1020688326.db2.gz ZSGPRCMFPLOOPE-UHFFFAOYSA-N 2 2 314.355 3.581 20 0 DHADLP Fc1ccc(CC[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c(Cl)c1 ZINC000685844908 1020809695 /nfs/dbraw/zinc/80/96/95/1020809695.db2.gz GBZMOGKCPHKYEQ-MRXNPFEDSA-N 2 2 310.844 3.628 20 0 DHADLP Fc1ccc(CC[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c(Cl)c1 ZINC000685844908 1020809701 /nfs/dbraw/zinc/80/97/01/1020809701.db2.gz GBZMOGKCPHKYEQ-MRXNPFEDSA-N 2 2 310.844 3.628 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1csc(-c2ccccc2)n1 ZINC000414139303 1020931776 /nfs/dbraw/zinc/93/17/76/1020931776.db2.gz QHSXCOGARWRRKS-ZFWWWQNUSA-N 2 2 324.453 3.672 20 0 DHADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(O)cc(Cl)c2)CC1 ZINC001140793143 1020987826 /nfs/dbraw/zinc/98/78/26/1020987826.db2.gz FBSPDQLAUOSXLY-UHFFFAOYSA-N 2 2 310.869 3.742 20 0 DHADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(O)cc(Cl)c2)CC1 ZINC001140793143 1020987830 /nfs/dbraw/zinc/98/78/30/1020987830.db2.gz FBSPDQLAUOSXLY-UHFFFAOYSA-N 2 2 310.869 3.742 20 0 DHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CCCO2 ZINC000766266794 1020992728 /nfs/dbraw/zinc/99/27/28/1020992728.db2.gz BQZHYBBXZODTKO-WMZOPIPTSA-N 2 2 302.462 3.591 20 0 DHADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CCCO2 ZINC000766266794 1020992734 /nfs/dbraw/zinc/99/27/34/1020992734.db2.gz BQZHYBBXZODTKO-WMZOPIPTSA-N 2 2 302.462 3.591 20 0 DHADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000766271395 1021031334 /nfs/dbraw/zinc/03/13/34/1021031334.db2.gz FQIJOOXJDOXNLX-WBMJQRKESA-N 2 2 323.278 3.510 20 0 DHADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000766271395 1021031337 /nfs/dbraw/zinc/03/13/37/1021031337.db2.gz FQIJOOXJDOXNLX-WBMJQRKESA-N 2 2 323.278 3.510 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccns1 ZINC000858576788 1032952923 /nfs/dbraw/zinc/95/29/23/1032952923.db2.gz NAKWNERKPVOYHL-IJEWVQPXSA-N 2 2 307.507 3.837 20 0 DHADLP COCc1cccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000742392530 1021110744 /nfs/dbraw/zinc/11/07/44/1021110744.db2.gz QAYOGICLIDGKGW-MRXNPFEDSA-N 2 2 321.424 3.870 20 0 DHADLP COCc1cccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000742392529 1021110819 /nfs/dbraw/zinc/11/08/19/1021110819.db2.gz QAYOGICLIDGKGW-INIZCTEOSA-N 2 2 321.424 3.870 20 0 DHADLP CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ncccc1Cl ZINC000924648666 1032955176 /nfs/dbraw/zinc/95/51/76/1032955176.db2.gz NJMVQZFPRIIALT-XJKSGUPXSA-N 2 2 307.869 3.650 20 0 DHADLP CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ncccc1Cl ZINC000924648666 1032955185 /nfs/dbraw/zinc/95/51/85/1032955185.db2.gz NJMVQZFPRIIALT-XJKSGUPXSA-N 2 2 307.869 3.650 20 0 DHADLP C[C@H](C[NH2+]Cc1ccccc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000742718716 1021151679 /nfs/dbraw/zinc/15/16/79/1021151679.db2.gz XGYOXWAQVIGRTJ-QGZVFWFLSA-N 2 2 305.425 3.976 20 0 DHADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC001202281891 1021200325 /nfs/dbraw/zinc/20/03/25/1021200325.db2.gz WOKIFYZFUDMSCF-LJQANCHMSA-N 2 2 300.490 3.644 20 0 DHADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCc2ccccc2CC1 ZINC001202281891 1021200339 /nfs/dbraw/zinc/20/03/39/1021200339.db2.gz WOKIFYZFUDMSCF-LJQANCHMSA-N 2 2 300.490 3.644 20 0 DHADLP CC(=O)CC(C)(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976064 1032961499 /nfs/dbraw/zinc/96/14/99/1032961499.db2.gz PAMQIAVYYLXFRF-SFHVURJKSA-N 2 2 316.489 3.777 20 0 DHADLP CC(=O)CC(C)(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976064 1032961517 /nfs/dbraw/zinc/96/15/17/1032961517.db2.gz PAMQIAVYYLXFRF-SFHVURJKSA-N 2 2 316.489 3.777 20 0 DHADLP CC(C)CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000090228189 1021218342 /nfs/dbraw/zinc/21/83/42/1021218342.db2.gz ZDSXDWKREHOUNS-HKUYNNGSSA-N 2 2 317.521 3.954 20 0 DHADLP CC(C)CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000090228189 1021218349 /nfs/dbraw/zinc/21/83/49/1021218349.db2.gz ZDSXDWKREHOUNS-HKUYNNGSSA-N 2 2 317.521 3.954 20 0 DHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccncc2F)CC1 ZINC000449150428 1021258703 /nfs/dbraw/zinc/25/87/03/1021258703.db2.gz RBNUVPRJGQVGIE-OAHLLOKOSA-N 2 2 313.420 3.536 20 0 DHADLP CC[C@@H](OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000649549111 1021407510 /nfs/dbraw/zinc/40/75/10/1021407510.db2.gz UKCFHKWOELYFRX-GOSISDBHSA-N 2 2 313.445 3.757 20 0 DHADLP CN(c1ccc([NH2+][C@H]2CCCC23CC3)cc1)C1CC[NH+](C)CC1 ZINC000850451383 1021544194 /nfs/dbraw/zinc/54/41/94/1021544194.db2.gz ZMZMEDCKGZCRFE-IBGZPJMESA-N 2 2 313.489 3.962 20 0 DHADLP COc1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336958 1021562564 /nfs/dbraw/zinc/56/25/64/1021562564.db2.gz XMDRZDGOTJKVPC-IBGZPJMESA-N 2 2 324.468 3.649 20 0 DHADLP COc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336958 1021562575 /nfs/dbraw/zinc/56/25/75/1021562575.db2.gz XMDRZDGOTJKVPC-IBGZPJMESA-N 2 2 324.468 3.649 20 0 DHADLP COc1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336958 1021562600 /nfs/dbraw/zinc/56/26/00/1021562600.db2.gz XMDRZDGOTJKVPC-IBGZPJMESA-N 2 2 324.468 3.649 20 0 DHADLP COc1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336958 1021562617 /nfs/dbraw/zinc/56/26/17/1021562617.db2.gz XMDRZDGOTJKVPC-IBGZPJMESA-N 2 2 324.468 3.649 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000093644127 1021640899 /nfs/dbraw/zinc/64/08/99/1021640899.db2.gz AFLQZWOYXKRMJX-IAQYHMDHSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000093644127 1021640902 /nfs/dbraw/zinc/64/09/02/1021640902.db2.gz AFLQZWOYXKRMJX-IAQYHMDHSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000093644127 1021640906 /nfs/dbraw/zinc/64/09/06/1021640906.db2.gz AFLQZWOYXKRMJX-IAQYHMDHSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2)CC[NH+]1C ZINC000093644127 1021640909 /nfs/dbraw/zinc/64/09/09/1021640909.db2.gz AFLQZWOYXKRMJX-IAQYHMDHSA-N 2 2 301.261 3.908 20 0 DHADLP C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000766325020 1021662321 /nfs/dbraw/zinc/66/23/21/1021662321.db2.gz IVDWQPLRIKJGOD-YOEHRIQHSA-N 2 2 313.445 3.869 20 0 DHADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1(C)CCCC1 ZINC000556531454 1021759089 /nfs/dbraw/zinc/75/90/89/1021759089.db2.gz YBPMGOZERZKTFG-LJQANCHMSA-N 2 2 316.489 3.542 20 0 DHADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1(C)CCCC1 ZINC000556531454 1021759099 /nfs/dbraw/zinc/75/90/99/1021759099.db2.gz YBPMGOZERZKTFG-LJQANCHMSA-N 2 2 316.489 3.542 20 0 DHADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(C)CCCC1 ZINC000556531454 1021759110 /nfs/dbraw/zinc/75/91/10/1021759110.db2.gz YBPMGOZERZKTFG-LJQANCHMSA-N 2 2 316.489 3.542 20 0 DHADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(C)CCCC1 ZINC000556531454 1021759123 /nfs/dbraw/zinc/75/91/23/1021759123.db2.gz YBPMGOZERZKTFG-LJQANCHMSA-N 2 2 316.489 3.542 20 0 DHADLP FC(F)(F)c1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000261813884 1021835716 /nfs/dbraw/zinc/83/57/16/1021835716.db2.gz AGAKVRPIBFDALV-UHFFFAOYSA-N 2 2 312.379 3.669 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000193445350 1022023440 /nfs/dbraw/zinc/02/34/40/1022023440.db2.gz KTLKNNRXIDVNOT-CRAIPNDOSA-N 2 2 303.409 3.863 20 0 DHADLP C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000153354655 1022042200 /nfs/dbraw/zinc/04/22/00/1022042200.db2.gz WINODELNMZPUCN-PKOBYXMFSA-N 2 2 311.473 3.553 20 0 DHADLP C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000153354655 1022042215 /nfs/dbraw/zinc/04/22/15/1022042215.db2.gz WINODELNMZPUCN-PKOBYXMFSA-N 2 2 311.473 3.553 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1F)C2 ZINC001169093870 1022245155 /nfs/dbraw/zinc/24/51/55/1022245155.db2.gz JQKSJYSTFGDVSN-CLLJXQQHSA-N 2 2 316.342 3.559 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1F)C2 ZINC001169093870 1022245164 /nfs/dbraw/zinc/24/51/64/1022245164.db2.gz JQKSJYSTFGDVSN-CLLJXQQHSA-N 2 2 316.342 3.559 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC001169107085 1022266323 /nfs/dbraw/zinc/26/63/23/1022266323.db2.gz CDXKWACMQBIQDA-MUJYYYPQSA-N 2 2 313.470 3.525 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC001169107085 1022266325 /nfs/dbraw/zinc/26/63/25/1022266325.db2.gz CDXKWACMQBIQDA-MUJYYYPQSA-N 2 2 313.470 3.525 20 0 DHADLP CC(C)Oc1ccc[nH+]c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169145089 1022277349 /nfs/dbraw/zinc/27/73/49/1022277349.db2.gz CKYVUGWOQIEZBL-KBXCAEBGSA-N 2 2 305.466 3.824 20 0 DHADLP Cn1c[nH+]c2ccc(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc21 ZINC001169149060 1022279030 /nfs/dbraw/zinc/27/90/30/1022279030.db2.gz XQOMIGWGBJQSRX-KBXCAEBGSA-N 2 2 300.450 3.529 20 0 DHADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3cccc(C(F)(F)F)c3C1)C2 ZINC001169155632 1022286524 /nfs/dbraw/zinc/28/65/24/1022286524.db2.gz SUPSKLVOYDKUCC-FICVDOATSA-N 2 2 324.390 3.689 20 0 DHADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3cccc(C(F)(F)F)c3C1)C2 ZINC001169155632 1022286532 /nfs/dbraw/zinc/28/65/32/1022286532.db2.gz SUPSKLVOYDKUCC-FICVDOATSA-N 2 2 324.390 3.689 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3cccc(C(F)(F)F)c3C1)C2 ZINC001169155632 1022286539 /nfs/dbraw/zinc/28/65/39/1022286539.db2.gz SUPSKLVOYDKUCC-FICVDOATSA-N 2 2 324.390 3.689 20 0 DHADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3cccc(C(F)(F)F)c3C1)C2 ZINC001169155632 1022286548 /nfs/dbraw/zinc/28/65/48/1022286548.db2.gz SUPSKLVOYDKUCC-FICVDOATSA-N 2 2 324.390 3.689 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cnn(C2CCCC2)c1 ZINC000337512662 1033043701 /nfs/dbraw/zinc/04/37/01/1033043701.db2.gz JTRWPIQYFKOHMP-OAHLLOKOSA-N 2 2 316.493 3.666 20 0 DHADLP CC[NH+]1CCC([N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC001169261949 1022317706 /nfs/dbraw/zinc/31/77/06/1022317706.db2.gz RXXYHJCBYWTFKD-UHFFFAOYSA-N 2 2 312.379 3.548 20 0 DHADLP CC[NH+]1CCC([N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC001169261949 1022317722 /nfs/dbraw/zinc/31/77/22/1022317722.db2.gz RXXYHJCBYWTFKD-UHFFFAOYSA-N 2 2 312.379 3.548 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(OC(F)F)c1 ZINC000268799239 1022379883 /nfs/dbraw/zinc/37/98/83/1022379883.db2.gz XXQJXSQFXVNFQS-RCBQFDQVSA-N 2 2 310.388 3.565 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(OC(F)F)c1 ZINC000268799239 1022379899 /nfs/dbraw/zinc/37/98/99/1022379899.db2.gz XXQJXSQFXVNFQS-RCBQFDQVSA-N 2 2 310.388 3.565 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337534264 1033055436 /nfs/dbraw/zinc/05/54/36/1033055436.db2.gz FLSOXHNMSUSHFY-MAZHCROVSA-N 2 2 321.371 3.683 20 0 DHADLP C[C@H]([NH2+]CCCc1nccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271490912 1022474157 /nfs/dbraw/zinc/47/41/57/1022474157.db2.gz LSAISFMGJZQONN-AWEZNQCLSA-N 2 2 312.442 3.612 20 0 DHADLP CC(C)C[NH+]1CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367633653 1022481224 /nfs/dbraw/zinc/48/12/24/1022481224.db2.gz IWPKOMWEGDXCOC-GOSISDBHSA-N 2 2 318.509 3.741 20 0 DHADLP Clc1cccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000157087513 1022522165 /nfs/dbraw/zinc/52/21/65/1022522165.db2.gz KGIGKPSYCAZBHC-UHFFFAOYSA-N 2 2 315.848 3.536 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)CCSc1cccc(Cl)c1 ZINC000660145965 1022571686 /nfs/dbraw/zinc/57/16/86/1022571686.db2.gz BLQKPGHEAXUCLV-UHFFFAOYSA-N 2 2 309.866 3.651 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)CCSc1cccc(Cl)c1 ZINC000660145965 1022571671 /nfs/dbraw/zinc/57/16/71/1022571671.db2.gz BLQKPGHEAXUCLV-UHFFFAOYSA-N 2 2 309.866 3.651 20 0 DHADLP Fc1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cc1F ZINC000781886223 1022650533 /nfs/dbraw/zinc/65/05/33/1022650533.db2.gz KWUDHUGKYAWUFW-SFHVURJKSA-N 2 2 308.416 3.978 20 0 DHADLP Fc1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cc1F ZINC000781886223 1022650538 /nfs/dbraw/zinc/65/05/38/1022650538.db2.gz KWUDHUGKYAWUFW-SFHVURJKSA-N 2 2 308.416 3.978 20 0 DHADLP C[C@@H]([NH3+])[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1 ZINC000925592673 1022672065 /nfs/dbraw/zinc/67/20/65/1022672065.db2.gz AIFFQJDNKUFHGM-DNVCBOLYSA-N 2 2 310.445 3.572 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309827 1022676432 /nfs/dbraw/zinc/67/64/32/1022676432.db2.gz JCRKREIMNPLKLS-TXCZRRACSA-N 2 2 304.503 3.847 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309827 1022676440 /nfs/dbraw/zinc/67/64/40/1022676440.db2.gz JCRKREIMNPLKLS-TXCZRRACSA-N 2 2 304.503 3.847 20 0 DHADLP CC1(C)C[C@H]([NH2+]CC[C@H]2CC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000621375780 1022728150 /nfs/dbraw/zinc/72/81/50/1022728150.db2.gz FGUIFEYYZNIXOI-HOTGVXAUSA-N 2 2 308.416 3.674 20 0 DHADLP CC1(C)C[C@H]([NH2+]CC[C@H]2CC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000621375780 1022728165 /nfs/dbraw/zinc/72/81/65/1022728165.db2.gz FGUIFEYYZNIXOI-HOTGVXAUSA-N 2 2 308.416 3.674 20 0 DHADLP c1cn(-c2ccc(C[NH+]3CC(Cc4ccsc4)C3)cc2)c[nH+]1 ZINC000621741276 1022852132 /nfs/dbraw/zinc/85/21/32/1022852132.db2.gz KNWQANBQKXTARA-UHFFFAOYSA-N 2 2 309.438 3.608 20 0 DHADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc2c(c1)CCCO2 ZINC000768103683 1022886837 /nfs/dbraw/zinc/88/68/37/1022886837.db2.gz VIGZVEYYZMSWSZ-QAPCUYQASA-N 2 2 302.462 3.537 20 0 DHADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc2c(c1)CCCO2 ZINC000768103683 1022886853 /nfs/dbraw/zinc/88/68/53/1022886853.db2.gz VIGZVEYYZMSWSZ-QAPCUYQASA-N 2 2 302.462 3.537 20 0 DHADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163836009 1022930483 /nfs/dbraw/zinc/93/04/83/1022930483.db2.gz OYDFOFIYNJZWND-JKSUJKDBSA-N 2 2 313.445 3.674 20 0 DHADLP C[C@H](Cc1ccccc1F)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000319232919 1022936867 /nfs/dbraw/zinc/93/68/67/1022936867.db2.gz OXFKPPSPJZFZKI-RHSMWYFYSA-N 2 2 303.425 3.658 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000364310530 1023006254 /nfs/dbraw/zinc/00/62/54/1023006254.db2.gz IBDGUPGIXOLHEV-HOTGVXAUSA-N 2 2 305.466 3.601 20 0 DHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000364310530 1023006270 /nfs/dbraw/zinc/00/62/70/1023006270.db2.gz IBDGUPGIXOLHEV-HOTGVXAUSA-N 2 2 305.466 3.601 20 0 DHADLP CSCC1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000296515255 1023012327 /nfs/dbraw/zinc/01/23/27/1023012327.db2.gz RRRXGYVVVYBTFH-UHFFFAOYSA-N 2 2 319.518 3.562 20 0 DHADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC000651492450 1023039868 /nfs/dbraw/zinc/03/98/68/1023039868.db2.gz HQGOCVFKCMFTOE-HXUWFJFHSA-N 2 2 323.484 3.575 20 0 DHADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC000651492450 1023039872 /nfs/dbraw/zinc/03/98/72/1023039872.db2.gz HQGOCVFKCMFTOE-HXUWFJFHSA-N 2 2 323.484 3.575 20 0 DHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000167884843 1023049782 /nfs/dbraw/zinc/04/97/82/1023049782.db2.gz ALOZANFVQQEEGL-HZPDHXFCSA-N 2 2 304.478 3.521 20 0 DHADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCCNc4ccccc43)cc2)c[nH+]1 ZINC000192746747 1023054305 /nfs/dbraw/zinc/05/43/05/1023054305.db2.gz VTLUVNAESFNLGL-HXUWFJFHSA-N 2 2 318.424 3.909 20 0 DHADLP Cl/C=C(/Cl)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000763493662 1023080071 /nfs/dbraw/zinc/08/00/71/1023080071.db2.gz MJFUPYKYYWHFCS-RVDMUPIBSA-N 2 2 305.293 3.893 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000769520786 1023174449 /nfs/dbraw/zinc/17/44/49/1023174449.db2.gz ZMSFLRKJAQXTKQ-JKSUJKDBSA-N 2 2 306.413 3.549 20 0 DHADLP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662373 1023366838 /nfs/dbraw/zinc/36/68/38/1023366838.db2.gz JBZGWVGBDNDYOF-HXUWFJFHSA-N 2 2 316.489 3.736 20 0 DHADLP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662373 1023366847 /nfs/dbraw/zinc/36/68/47/1023366847.db2.gz JBZGWVGBDNDYOF-HXUWFJFHSA-N 2 2 316.489 3.736 20 0 DHADLP COc1ccc(C(C)C)cc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662373 1023366853 /nfs/dbraw/zinc/36/68/53/1023366853.db2.gz JBZGWVGBDNDYOF-HXUWFJFHSA-N 2 2 316.489 3.736 20 0 DHADLP COc1ccc(C(C)C)cc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662373 1023366861 /nfs/dbraw/zinc/36/68/61/1023366861.db2.gz JBZGWVGBDNDYOF-HXUWFJFHSA-N 2 2 316.489 3.736 20 0 DHADLP FC(F)(F)CCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678686 1023375289 /nfs/dbraw/zinc/37/52/89/1023375289.db2.gz YIEDLSYXVHVXRX-UHFFFAOYSA-N 2 2 314.395 3.973 20 0 DHADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674691 1023377071 /nfs/dbraw/zinc/37/70/71/1023377071.db2.gz CCYUJROPLVQVCX-UHFFFAOYSA-N 2 2 312.432 3.888 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651725779 1023498827 /nfs/dbraw/zinc/49/88/27/1023498827.db2.gz OZWYFQRMJOBECU-GJYPPUQNSA-N 2 2 309.457 3.882 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651725779 1023498831 /nfs/dbraw/zinc/49/88/31/1023498831.db2.gz OZWYFQRMJOBECU-GJYPPUQNSA-N 2 2 309.457 3.882 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000661210370 1023527199 /nfs/dbraw/zinc/52/71/99/1023527199.db2.gz LTOMKONMWPPWFZ-SFHVURJKSA-N 2 2 317.864 3.713 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000661210370 1023527205 /nfs/dbraw/zinc/52/72/05/1023527205.db2.gz LTOMKONMWPPWFZ-SFHVURJKSA-N 2 2 317.864 3.713 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C[C@@H]1C ZINC001172371582 1033151502 /nfs/dbraw/zinc/15/15/02/1033151502.db2.gz VDVQQBXTGYTVGL-JTDSTZFVSA-N 2 2 316.489 3.771 20 0 DHADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661659721 1023678453 /nfs/dbraw/zinc/67/84/53/1023678453.db2.gz LNUMHEWSJMSFHM-KRWDZBQOSA-N 2 2 308.441 3.703 20 0 DHADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661659721 1023678458 /nfs/dbraw/zinc/67/84/58/1023678458.db2.gz LNUMHEWSJMSFHM-KRWDZBQOSA-N 2 2 308.441 3.703 20 0 DHADLP CC[N@H+](CCC[NH2+][C@@H](C)c1ccc(F)cn1)C1CCCCC1 ZINC000652237734 1023707224 /nfs/dbraw/zinc/70/72/24/1023707224.db2.gz BVKUVYOARNDYQM-HNNXBMFYSA-N 2 2 307.457 3.916 20 0 DHADLP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccc(F)cn1)C1CCCCC1 ZINC000652237734 1023707231 /nfs/dbraw/zinc/70/72/31/1023707231.db2.gz BVKUVYOARNDYQM-HNNXBMFYSA-N 2 2 307.457 3.916 20 0 DHADLP CC(C)CSCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000787281360 1023780399 /nfs/dbraw/zinc/78/03/99/1023780399.db2.gz BNDYZWZDWCPAPK-OAHLLOKOSA-N 2 2 303.475 3.912 20 0 DHADLP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001170077157 1023812656 /nfs/dbraw/zinc/81/26/56/1023812656.db2.gz GPKDMVZQCKLTBO-YSIASYRMSA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001170077157 1023812664 /nfs/dbraw/zinc/81/26/64/1023812664.db2.gz GPKDMVZQCKLTBO-YSIASYRMSA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001170077157 1023812673 /nfs/dbraw/zinc/81/26/73/1023812673.db2.gz GPKDMVZQCKLTBO-YSIASYRMSA-N 2 2 315.505 3.660 20 0 DHADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001170077157 1023812678 /nfs/dbraw/zinc/81/26/78/1023812678.db2.gz GPKDMVZQCKLTBO-YSIASYRMSA-N 2 2 315.505 3.660 20 0 DHADLP CCOCC[C@H](C)[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001172427304 1033165270 /nfs/dbraw/zinc/16/52/70/1033165270.db2.gz NJXJOCNZLNWMIU-INIZCTEOSA-N 2 2 322.468 3.537 20 0 DHADLP CCOCC[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001172427304 1033165278 /nfs/dbraw/zinc/16/52/78/1033165278.db2.gz NJXJOCNZLNWMIU-INIZCTEOSA-N 2 2 322.468 3.537 20 0 DHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538750849 1033171485 /nfs/dbraw/zinc/17/14/85/1033171485.db2.gz CBGIDTQORZZYDE-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538750849 1033171493 /nfs/dbraw/zinc/17/14/93/1033171493.db2.gz CBGIDTQORZZYDE-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538750849 1033171497 /nfs/dbraw/zinc/17/14/97/1033171497.db2.gz CBGIDTQORZZYDE-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)s2)C1 ZINC000538750849 1033171504 /nfs/dbraw/zinc/17/15/04/1033171504.db2.gz CBGIDTQORZZYDE-HNNXBMFYSA-N 2 2 321.534 3.964 20 0 DHADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC001170113654 1024139068 /nfs/dbraw/zinc/13/90/68/1024139068.db2.gz SVIQEIHHNQNRJU-LIRRHRJNSA-N 2 2 304.453 3.877 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(-c2ccncc2)c1 ZINC000268811084 1024166206 /nfs/dbraw/zinc/16/62/06/1024166206.db2.gz KPWDDKQLSJQJOD-JKSUJKDBSA-N 2 2 306.413 3.684 20 0 DHADLP Fc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347800 1024182494 /nfs/dbraw/zinc/18/24/94/1024182494.db2.gz VXQMNZGVXYZDDF-AWEZNQCLSA-N 2 2 310.844 3.691 20 0 DHADLP Fc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347800 1024182500 /nfs/dbraw/zinc/18/25/00/1024182500.db2.gz VXQMNZGVXYZDDF-AWEZNQCLSA-N 2 2 310.844 3.691 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1OC(F)F ZINC000268976509 1024210634 /nfs/dbraw/zinc/21/06/34/1024210634.db2.gz HAUNWYNMGGORRW-CYBMUJFWSA-N 2 2 324.415 3.956 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000531682560 1024268662 /nfs/dbraw/zinc/26/86/62/1024268662.db2.gz RDGIRLMXYZWNCQ-RCBQFDQVSA-N 2 2 308.466 3.825 20 0 DHADLP CSc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1F ZINC000531682560 1024268665 /nfs/dbraw/zinc/26/86/65/1024268665.db2.gz RDGIRLMXYZWNCQ-RCBQFDQVSA-N 2 2 308.466 3.825 20 0 DHADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000531701583 1024274608 /nfs/dbraw/zinc/27/46/08/1024274608.db2.gz HHLAOUQAHNCRTQ-CYBMUJFWSA-N 2 2 307.825 3.676 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883207163 1024288754 /nfs/dbraw/zinc/28/87/54/1024288754.db2.gz HHUDRBMIGWCMRD-VQIMIIECSA-N 2 2 313.489 3.919 20 0 DHADLP c1cn(Cc2ccccc2C[NH2+][C@@H](C2CC2)C2CCCC2)c[nH+]1 ZINC000453068859 1024299018 /nfs/dbraw/zinc/29/90/18/1024299018.db2.gz JVUYCWIWADBEHU-HXUWFJFHSA-N 2 2 309.457 3.990 20 0 DHADLP CC(C)OCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001172439040 1033202003 /nfs/dbraw/zinc/20/20/03/1033202003.db2.gz WIEZQIGWJGSCDY-MJGOQNOKSA-N 2 2 304.478 3.617 20 0 DHADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000348225810 1024331190 /nfs/dbraw/zinc/33/11/90/1024331190.db2.gz HTVRKSJKPRCWBD-DOMZBBRYSA-N 2 2 309.335 3.645 20 0 DHADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000348225810 1024331207 /nfs/dbraw/zinc/33/12/07/1024331207.db2.gz HTVRKSJKPRCWBD-DOMZBBRYSA-N 2 2 309.335 3.645 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)cc1Cl ZINC000925778792 1024434035 /nfs/dbraw/zinc/43/40/35/1024434035.db2.gz KYWUEIBAKBNTKX-ZJUUUORDSA-N 2 2 323.214 3.889 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000453234779 1024418676 /nfs/dbraw/zinc/41/86/76/1024418676.db2.gz YRXDBIGQMMXUPY-WMZOPIPTSA-N 2 2 303.494 3.503 20 0 DHADLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000453234779 1024418679 /nfs/dbraw/zinc/41/86/79/1024418679.db2.gz YRXDBIGQMMXUPY-WMZOPIPTSA-N 2 2 303.494 3.503 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CCC12CCC2 ZINC000453235453 1024418799 /nfs/dbraw/zinc/41/87/99/1024418799.db2.gz LSOBPULJXRNEAT-INIZCTEOSA-N 2 2 301.821 3.948 20 0 DHADLP COc1ccccc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387419 1024419943 /nfs/dbraw/zinc/41/99/43/1024419943.db2.gz XLQSBLIKMKCEGI-APWZRJJASA-N 2 2 321.424 3.984 20 0 DHADLP Cc1ccncc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387054 1024419996 /nfs/dbraw/zinc/41/99/96/1024419996.db2.gz RFQLXUROECZUHX-LPHOPBHVSA-N 2 2 306.413 3.679 20 0 DHADLP c1cn(C[C@@H]([NH2+][C@@H]2CCc3ccccc32)c2ccccc2)c[nH+]1 ZINC000883387161 1024420072 /nfs/dbraw/zinc/42/00/72/1024420072.db2.gz SKVYISMISRCBBK-WOJBJXKFSA-N 2 2 303.409 3.902 20 0 DHADLP C[C@@H](CCC(F)(F)F)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883388586 1024423077 /nfs/dbraw/zinc/42/30/77/1024423077.db2.gz YIRMGVLFIMMXPM-DZGCQCFKSA-N 2 2 311.351 3.945 20 0 DHADLP c1ccc([C@@H]2CC[C@H](C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)O2)cc1 ZINC000883429232 1024434640 /nfs/dbraw/zinc/43/46/40/1024434640.db2.gz POAOURHKCABDON-FYQPLNBISA-N 2 2 314.473 3.513 20 0 DHADLP c1ccc([C@@H]2CC[C@H](C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)O2)cc1 ZINC000883429232 1024434645 /nfs/dbraw/zinc/43/46/45/1024434645.db2.gz POAOURHKCABDON-FYQPLNBISA-N 2 2 314.473 3.513 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000453308258 1024454572 /nfs/dbraw/zinc/45/45/72/1024454572.db2.gz MUHRZZSSYBVKAE-APWZRJJASA-N 2 2 315.505 3.708 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCC1 ZINC000453308258 1024454577 /nfs/dbraw/zinc/45/45/77/1024454577.db2.gz MUHRZZSSYBVKAE-APWZRJJASA-N 2 2 315.505 3.708 20 0 DHADLP c1ccc2ncc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000271253185 1024477400 /nfs/dbraw/zinc/47/74/00/1024477400.db2.gz FEDJYTBVAWCDOC-WIYYLYMNSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2ncc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2c1 ZINC000271253185 1024477405 /nfs/dbraw/zinc/47/74/05/1024477405.db2.gz FEDJYTBVAWCDOC-WIYYLYMNSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2c1 ZINC000271253185 1024477410 /nfs/dbraw/zinc/47/74/10/1024477410.db2.gz FEDJYTBVAWCDOC-WIYYLYMNSA-N 2 2 321.468 3.684 20 0 DHADLP c1ccc2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2c1 ZINC000271253185 1024477414 /nfs/dbraw/zinc/47/74/14/1024477414.db2.gz FEDJYTBVAWCDOC-WIYYLYMNSA-N 2 2 321.468 3.684 20 0 DHADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000925784860 1024516724 /nfs/dbraw/zinc/51/67/24/1024516724.db2.gz SXWLGRRDHBPGHR-KRWDZBQOSA-N 2 2 316.395 3.610 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000271497479 1024522094 /nfs/dbraw/zinc/52/20/94/1024522094.db2.gz LLIFCFGDHMPBFS-SCLBCKFNSA-N 2 2 321.428 3.632 20 0 DHADLP CC(C)COCC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172467101 1033217145 /nfs/dbraw/zinc/21/71/45/1033217145.db2.gz HXFCUMMXZWBSAN-BZSNNMDCSA-N 2 2 319.493 3.609 20 0 DHADLP CC[C@]1(C(C)C)C[C@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000453614624 1024556108 /nfs/dbraw/zinc/55/61/08/1024556108.db2.gz PYUCTDOCENQJBD-SJLPKXTDSA-N 2 2 321.534 3.824 20 0 DHADLP CC[C@]1(C(C)C)C[C@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000453614624 1024556112 /nfs/dbraw/zinc/55/61/12/1024556112.db2.gz PYUCTDOCENQJBD-SJLPKXTDSA-N 2 2 321.534 3.824 20 0 DHADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000532195708 1024573077 /nfs/dbraw/zinc/57/30/77/1024573077.db2.gz MHZPJFDIYANRSC-CYBMUJFWSA-N 2 2 306.479 3.902 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+]CC[N@@H+]3CC[C@H](C)C3)ccc2c1 ZINC000532239237 1024588022 /nfs/dbraw/zinc/58/80/22/1024588022.db2.gz YRWNDFMWXJAJSI-HOTGVXAUSA-N 2 2 312.457 3.841 20 0 DHADLP COc1ccc2cc([C@H](C)[NH2+]CC[N@H+]3CC[C@H](C)C3)ccc2c1 ZINC000532239237 1024588032 /nfs/dbraw/zinc/58/80/32/1024588032.db2.gz YRWNDFMWXJAJSI-HOTGVXAUSA-N 2 2 312.457 3.841 20 0 DHADLP CC(C)n1ccnc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000585747622 1024591383 /nfs/dbraw/zinc/59/13/83/1024591383.db2.gz DQEDJBIHZJOJHV-UHFFFAOYSA-N 2 2 318.509 3.552 20 0 DHADLP CSC(C)(C)CC[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000877066105 1033225473 /nfs/dbraw/zinc/22/54/73/1033225473.db2.gz CRKBZUULDRZGBI-INIZCTEOSA-N 2 2 317.502 3.825 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000760156181 1024675001 /nfs/dbraw/zinc/67/50/01/1024675001.db2.gz IWWUYVXISDVEIX-ZJUUUORDSA-N 2 2 313.232 3.511 20 0 DHADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000349148629 1024681547 /nfs/dbraw/zinc/68/15/47/1024681547.db2.gz KDRCZTMFWVMKJE-QGZVFWFLSA-N 2 2 321.424 3.978 20 0 DHADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000349148629 1024681554 /nfs/dbraw/zinc/68/15/54/1024681554.db2.gz KDRCZTMFWVMKJE-QGZVFWFLSA-N 2 2 321.424 3.978 20 0 DHADLP CCCCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000349420112 1024714016 /nfs/dbraw/zinc/71/40/16/1024714016.db2.gz QGGOXWQSTLOWAX-UHFFFAOYSA-N 2 2 301.434 3.584 20 0 DHADLP CCCCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000349420112 1024714026 /nfs/dbraw/zinc/71/40/26/1024714026.db2.gz QGGOXWQSTLOWAX-UHFFFAOYSA-N 2 2 301.434 3.584 20 0 DHADLP CC[C@@H]1C[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCO1 ZINC000349422291 1024719047 /nfs/dbraw/zinc/71/90/47/1024719047.db2.gz USWBYMIMNMJKIN-RBUKOAKNSA-N 2 2 319.493 3.581 20 0 DHADLP CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCO1 ZINC000648452751 1024728035 /nfs/dbraw/zinc/72/80/35/1024728035.db2.gz QKZXGZGFIXQSLE-RYQLBKOJSA-N 2 2 304.478 3.663 20 0 DHADLP Clc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000349567532 1024728618 /nfs/dbraw/zinc/72/86/18/1024728618.db2.gz YAFKTRBFERFFQO-UHFFFAOYSA-N 2 2 321.877 3.682 20 0 DHADLP COc1ccsc1[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000349829953 1024756908 /nfs/dbraw/zinc/75/69/08/1024756908.db2.gz PPYCOWHMQOSZGX-CYBMUJFWSA-N 2 2 313.426 3.793 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000226391275 1024881612 /nfs/dbraw/zinc/88/16/12/1024881612.db2.gz PMPDPNKFRTYVCQ-JTQLQIEISA-N 2 2 317.296 3.646 20 0 DHADLP CCC[C@@H](CC)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000134117047 1024965645 /nfs/dbraw/zinc/96/56/45/1024965645.db2.gz IIEIJKITCHTSEX-MRXNPFEDSA-N 2 2 303.494 3.890 20 0 DHADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@@H]1CC1(F)F ZINC000877130780 1033248962 /nfs/dbraw/zinc/24/89/62/1033248962.db2.gz NYMWOKNGZUTJLG-GUYCJALGSA-N 2 2 323.431 3.673 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)cc1 ZINC000793519864 1025070598 /nfs/dbraw/zinc/07/05/98/1025070598.db2.gz DKCUGIPKYBYSBK-XAMWDVODSA-N 2 2 316.489 3.651 20 0 DHADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000279692580 1025156770 /nfs/dbraw/zinc/15/67/70/1025156770.db2.gz IHKKFWLPBQTHEE-VQIMIIECSA-N 2 2 313.445 3.640 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000353630013 1025167823 /nfs/dbraw/zinc/16/78/23/1025167823.db2.gz LNQSMRMVQUZXCI-ZBFHGGJFSA-N 2 2 315.848 3.978 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccsc2S1 ZINC000353652354 1025178516 /nfs/dbraw/zinc/17/85/16/1025178516.db2.gz WJKCZHMFGMMDNY-GIPNMCIBSA-N 2 2 305.472 3.544 20 0 DHADLP CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000353816835 1025259762 /nfs/dbraw/zinc/25/97/62/1025259762.db2.gz RDIRJBZZDPDEBY-MSOLQXFVSA-N 2 2 313.445 3.508 20 0 DHADLP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1(C)C ZINC000353816835 1025259776 /nfs/dbraw/zinc/25/97/76/1025259776.db2.gz RDIRJBZZDPDEBY-MSOLQXFVSA-N 2 2 313.445 3.508 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000353970087 1025308311 /nfs/dbraw/zinc/30/83/11/1025308311.db2.gz BPPAUBBWKCZWDV-LPHOPBHVSA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000353970087 1025308322 /nfs/dbraw/zinc/30/83/22/1025308322.db2.gz BPPAUBBWKCZWDV-LPHOPBHVSA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000353994626 1025314832 /nfs/dbraw/zinc/31/48/32/1025314832.db2.gz CIDIVTWXCFESJD-LPHOPBHVSA-N 2 2 302.462 3.537 20 0 DHADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000353994626 1025314841 /nfs/dbraw/zinc/31/48/41/1025314841.db2.gz CIDIVTWXCFESJD-LPHOPBHVSA-N 2 2 302.462 3.537 20 0 DHADLP CCC1([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC001170452023 1025319097 /nfs/dbraw/zinc/31/90/97/1025319097.db2.gz QUTJKLKRDHCPAY-LJQANCHMSA-N 2 2 316.489 3.590 20 0 DHADLP CCC1([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC001170452023 1025319105 /nfs/dbraw/zinc/31/91/05/1025319105.db2.gz QUTJKLKRDHCPAY-LJQANCHMSA-N 2 2 316.489 3.590 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC000354206898 1025381484 /nfs/dbraw/zinc/38/14/84/1025381484.db2.gz LPGOLHAEUDQLDV-DOTOQJQBSA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC000354206898 1025381496 /nfs/dbraw/zinc/38/14/96/1025381496.db2.gz LPGOLHAEUDQLDV-DOTOQJQBSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC000354206898 1025381505 /nfs/dbraw/zinc/38/15/05/1025381505.db2.gz LPGOLHAEUDQLDV-DOTOQJQBSA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC000354206898 1025381515 /nfs/dbraw/zinc/38/15/15/1025381515.db2.gz LPGOLHAEUDQLDV-DOTOQJQBSA-N 2 2 313.445 3.646 20 0 DHADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000354306197 1025400269 /nfs/dbraw/zinc/40/02/69/1025400269.db2.gz VAVJEUPLPASRDQ-JZXOWHBKSA-N 2 2 310.526 3.680 20 0 DHADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2cccc(Cl)c2n1 ZINC001137224610 1025467113 /nfs/dbraw/zinc/46/71/13/1025467113.db2.gz OPNHDYJAMMEHMT-UHFFFAOYSA-N 2 2 317.864 3.806 20 0 DHADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2cccc(Cl)c2n1 ZINC001137224610 1025467119 /nfs/dbraw/zinc/46/71/19/1025467119.db2.gz OPNHDYJAMMEHMT-UHFFFAOYSA-N 2 2 317.864 3.806 20 0 DHADLP Fc1cccc(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC001170468304 1025486565 /nfs/dbraw/zinc/48/65/65/1025486565.db2.gz CSKQBHFKAOOHHA-UHFFFAOYSA-N 2 2 312.432 3.622 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886162076 1025539874 /nfs/dbraw/zinc/53/98/74/1025539874.db2.gz FERXYZLTRWHZGB-ZWKOTPCHSA-N 2 2 308.510 3.578 20 0 DHADLP CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000127583720 1025547096 /nfs/dbraw/zinc/54/70/96/1025547096.db2.gz BRSBZVUGMXRVOK-HZPDHXFCSA-N 2 2 314.477 3.562 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3(C4CC4)CCC3)CC2)cc1 ZINC000886392130 1025613138 /nfs/dbraw/zinc/61/31/38/1025613138.db2.gz WNKSSLZDCGLLRG-UHFFFAOYSA-N 2 2 313.489 3.644 20 0 DHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@H](C)C(C)(C)C3)sc2C1 ZINC000355521375 1025753628 /nfs/dbraw/zinc/75/36/28/1025753628.db2.gz YYUHSLZRMUHWDQ-CQSZACIVSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@H](C)C(C)(C)C3)sc2C1 ZINC000355521375 1025753651 /nfs/dbraw/zinc/75/36/51/1025753651.db2.gz YYUHSLZRMUHWDQ-CQSZACIVSA-N 2 2 321.534 3.778 20 0 DHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@H](C)C(C)(C)C3)sc2C1 ZINC000355521375 1025753657 /nfs/dbraw/zinc/75/36/57/1025753657.db2.gz YYUHSLZRMUHWDQ-CQSZACIVSA-N 2 2 321.534 3.778 20 0 DHADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000886651632 1025764481 /nfs/dbraw/zinc/76/44/81/1025764481.db2.gz MGJFDHKPYDRMEW-IPMKNSEASA-N 2 2 313.445 3.562 20 0 DHADLP Cc1[nH]c(C2CC[NH+](Cc3ccc(F)cc3F)CC2)[nH+]c1C ZINC000886662862 1025769980 /nfs/dbraw/zinc/76/99/80/1025769980.db2.gz NSCXXFAYMMNNGH-UHFFFAOYSA-N 2 2 305.372 3.684 20 0 DHADLP CCCc1nc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cs1 ZINC000886669956 1025776272 /nfs/dbraw/zinc/77/62/72/1025776272.db2.gz HICOMHKKIVHVGQ-UHFFFAOYSA-N 2 2 318.490 3.815 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CC[N@@H+]1C ZINC000355657467 1025799513 /nfs/dbraw/zinc/79/95/13/1025799513.db2.gz ALAXDTXFSLBIHM-GJZGRUSLSA-N 2 2 300.402 3.644 20 0 DHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CC[N@H+]1C ZINC000355657467 1025799524 /nfs/dbraw/zinc/79/95/24/1025799524.db2.gz ALAXDTXFSLBIHM-GJZGRUSLSA-N 2 2 300.402 3.644 20 0 DHADLP CN(c1ccc([NH2+][C@H]2CC[C@H]2C2CC2)cc1)C1CC[NH+](C)CC1 ZINC000806151065 1025812097 /nfs/dbraw/zinc/81/20/97/1025812097.db2.gz HUZAICJNKBJUAA-PMACEKPBSA-N 2 2 313.489 3.818 20 0 DHADLP C[N@H+](Cc1cscc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000356090148 1025941220 /nfs/dbraw/zinc/94/12/20/1025941220.db2.gz DXVYVSAYSNFMAS-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1cscc1C(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000356090148 1025941226 /nfs/dbraw/zinc/94/12/26/1025941226.db2.gz DXVYVSAYSNFMAS-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1cscc1C(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000356090148 1025941239 /nfs/dbraw/zinc/94/12/39/1025941239.db2.gz DXVYVSAYSNFMAS-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[N@@H+](Cc1cscc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000356090148 1025941210 /nfs/dbraw/zinc/94/12/10/1025941210.db2.gz DXVYVSAYSNFMAS-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cscc3C(F)(F)F)CC[C@H]21 ZINC000356129161 1025959209 /nfs/dbraw/zinc/95/92/09/1025959209.db2.gz RGKCNTWYJACUTA-SMDDNHRTSA-N 2 2 318.408 3.683 20 0 DHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cscc3C(F)(F)F)CC[C@H]21 ZINC000356129161 1025959222 /nfs/dbraw/zinc/95/92/22/1025959222.db2.gz RGKCNTWYJACUTA-SMDDNHRTSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cscc3C(F)(F)F)CC[C@H]21 ZINC000356129161 1025959234 /nfs/dbraw/zinc/95/92/34/1025959234.db2.gz RGKCNTWYJACUTA-SMDDNHRTSA-N 2 2 318.408 3.683 20 0 DHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cscc3C(F)(F)F)CC[C@H]21 ZINC000356129161 1025959242 /nfs/dbraw/zinc/95/92/42/1025959242.db2.gz RGKCNTWYJACUTA-SMDDNHRTSA-N 2 2 318.408 3.683 20 0 DHADLP CSc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000356175432 1025972263 /nfs/dbraw/zinc/97/22/63/1025972263.db2.gz KZRGZNCCUVFPFY-UHFFFAOYSA-N 2 2 315.467 3.946 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)cc2)C[C@H]1[NH3+] ZINC001206064984 1026150846 /nfs/dbraw/zinc/15/08/46/1026150846.db2.gz HKMKVCTUYUINTN-FZKQIMNGSA-N 2 2 300.833 3.786 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)cc2)C[C@H]1[NH3+] ZINC001206064984 1026150857 /nfs/dbraw/zinc/15/08/57/1026150857.db2.gz HKMKVCTUYUINTN-FZKQIMNGSA-N 2 2 300.833 3.786 20 0 DHADLP CCC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000290039602 1026297716 /nfs/dbraw/zinc/29/77/16/1026297716.db2.gz NYFQGMXEXNOTRY-IEBWSBKVSA-N 2 2 316.489 3.731 20 0 DHADLP CCC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000290039602 1026297728 /nfs/dbraw/zinc/29/77/28/1026297728.db2.gz NYFQGMXEXNOTRY-IEBWSBKVSA-N 2 2 316.489 3.731 20 0 DHADLP CCC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000290039602 1026297738 /nfs/dbraw/zinc/29/77/38/1026297738.db2.gz NYFQGMXEXNOTRY-IEBWSBKVSA-N 2 2 316.489 3.731 20 0 DHADLP CCC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000290039602 1026297753 /nfs/dbraw/zinc/29/77/53/1026297753.db2.gz NYFQGMXEXNOTRY-IEBWSBKVSA-N 2 2 316.489 3.731 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000513488286 1026526218 /nfs/dbraw/zinc/52/62/18/1026526218.db2.gz SDWVZFUIDXFDKA-DYVFJYSZSA-N 2 2 308.416 3.806 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000513488286 1026526220 /nfs/dbraw/zinc/52/62/20/1026526220.db2.gz SDWVZFUIDXFDKA-DYVFJYSZSA-N 2 2 308.416 3.806 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[N@@H+]1C ZINC000513527262 1026535695 /nfs/dbraw/zinc/53/56/95/1026535695.db2.gz RNKGXZSISXOAII-GXFFZTMASA-N 2 2 320.786 3.931 20 0 DHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC[N@H+]1C ZINC000513527262 1026535703 /nfs/dbraw/zinc/53/57/03/1026535703.db2.gz RNKGXZSISXOAII-GXFFZTMASA-N 2 2 320.786 3.931 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000280236826 1026619720 /nfs/dbraw/zinc/61/97/20/1026619720.db2.gz HTIYHHYPRYIJFF-OLZOCXBDSA-N 2 2 311.351 3.511 20 0 DHADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCn1cc[nH+]c1 ZINC000280274791 1026628266 /nfs/dbraw/zinc/62/82/66/1026628266.db2.gz LDKMNFAHBNWMJI-CYBMUJFWSA-N 2 2 311.351 3.513 20 0 DHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccncc2Cl)C1 ZINC000421835110 1027063067 /nfs/dbraw/zinc/06/30/67/1027063067.db2.gz MAYFIJPVEUXPDH-HUUCEWRRSA-N 2 2 309.885 3.754 20 0 DHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccncc2Cl)C1 ZINC000421835110 1027063077 /nfs/dbraw/zinc/06/30/77/1027063077.db2.gz MAYFIJPVEUXPDH-HUUCEWRRSA-N 2 2 309.885 3.754 20 0 DHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000421862138 1027069868 /nfs/dbraw/zinc/06/98/68/1027069868.db2.gz VWUNLPBHALFDSO-PRTUASRFSA-N 2 2 308.853 3.624 20 0 DHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000421862138 1027069875 /nfs/dbraw/zinc/06/98/75/1027069875.db2.gz VWUNLPBHALFDSO-PRTUASRFSA-N 2 2 308.853 3.624 20 0 DHADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000271829613 1027155107 /nfs/dbraw/zinc/15/51/07/1027155107.db2.gz IXHGOMDXTXUDLN-CYBMUJFWSA-N 2 2 322.884 3.608 20 0 DHADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000271829613 1027155112 /nfs/dbraw/zinc/15/51/12/1027155112.db2.gz IXHGOMDXTXUDLN-CYBMUJFWSA-N 2 2 322.884 3.608 20 0 DHADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000295266335 1027166439 /nfs/dbraw/zinc/16/64/39/1027166439.db2.gz VGOPICNCUJOQHI-WMZOPIPTSA-N 2 2 316.489 3.807 20 0 DHADLP COc1cc([C@H](C)[NH2+]CCC[N@H+](C)C2CCCCC2)c(F)cn1 ZINC000562019710 1027184312 /nfs/dbraw/zinc/18/43/12/1027184312.db2.gz PDPNCSWATSEJSA-AWEZNQCLSA-N 2 2 323.456 3.535 20 0 DHADLP COc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)c(F)cn1 ZINC000562019710 1027184316 /nfs/dbraw/zinc/18/43/16/1027184316.db2.gz PDPNCSWATSEJSA-AWEZNQCLSA-N 2 2 323.456 3.535 20 0 DHADLP COc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1C ZINC000931708127 1027224659 /nfs/dbraw/zinc/22/46/59/1027224659.db2.gz XHQRDHIIKCSHET-LJQANCHMSA-N 2 2 321.424 3.731 20 0 DHADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C(F)(F)F)s2)C[C@@H]1C[NH3+] ZINC000422560899 1027284089 /nfs/dbraw/zinc/28/40/89/1027284089.db2.gz IEXGNOZJNCGSIH-VWYCJHECSA-N 2 2 306.397 3.572 20 0 DHADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(F)(F)F)s2)C[C@@H]1C[NH3+] ZINC000422560899 1027284094 /nfs/dbraw/zinc/28/40/94/1027284094.db2.gz IEXGNOZJNCGSIH-VWYCJHECSA-N 2 2 306.397 3.572 20 0 DHADLP CC(C)Oc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422711279 1027298546 /nfs/dbraw/zinc/29/85/46/1027298546.db2.gz GVKCXOZZPWXQIL-APWZRJJASA-N 2 2 312.457 3.522 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000573657056 1027317623 /nfs/dbraw/zinc/31/76/23/1027317623.db2.gz WBCFJYGZZOVNTF-KGLIPLIRSA-N 2 2 314.395 3.568 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000573657056 1027317643 /nfs/dbraw/zinc/31/76/43/1027317643.db2.gz WBCFJYGZZOVNTF-KGLIPLIRSA-N 2 2 314.395 3.568 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)on1 ZINC000422794189 1027334308 /nfs/dbraw/zinc/33/43/08/1027334308.db2.gz YKGTYLWHJUIGFB-OKZBNKHCSA-N 2 2 319.493 3.979 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000573885551 1027336922 /nfs/dbraw/zinc/33/69/22/1027336922.db2.gz LIHKSCQTGBNSFI-XDPMZMSMSA-N 2 2 324.415 3.623 20 0 DHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000573885551 1027336936 /nfs/dbraw/zinc/33/69/36/1027336936.db2.gz LIHKSCQTGBNSFI-XDPMZMSMSA-N 2 2 324.415 3.623 20 0 DHADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422884273 1027351190 /nfs/dbraw/zinc/35/11/90/1027351190.db2.gz DRBNGEMHSRHIKT-AHIWAGSCSA-N 2 2 303.837 3.540 20 0 DHADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000422896927 1027361990 /nfs/dbraw/zinc/36/19/90/1027361990.db2.gz AZZFBQBWPGECKT-RYUDHWBXSA-N 2 2 309.866 3.699 20 0 DHADLP CCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1Cl ZINC000423099944 1027418660 /nfs/dbraw/zinc/41/86/60/1027418660.db2.gz FWASCELVSGKPLW-IAGOWNOFSA-N 2 2 316.832 3.973 20 0 DHADLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423123083 1027422550 /nfs/dbraw/zinc/42/25/50/1027422550.db2.gz LYWNWGDLOUKSEK-NUEKZKHPSA-N 2 2 314.395 3.528 20 0 DHADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423133253 1027431587 /nfs/dbraw/zinc/43/15/87/1027431587.db2.gz PYLDAHXDEZNNFW-HEHGZKQESA-N 2 2 324.415 3.689 20 0 DHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(C4CC4)CC3)CC2)cc1 ZINC000812840057 1027440324 /nfs/dbraw/zinc/44/03/24/1027440324.db2.gz QWCAJHQQUOJFBN-UHFFFAOYSA-N 2 2 313.489 3.501 20 0 DHADLP Fc1ccc2cc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)[nH]c2c1 ZINC000362924761 1027449283 /nfs/dbraw/zinc/44/92/83/1027449283.db2.gz ZRLPKPYGAQAWSU-UHFFFAOYSA-N 2 2 320.371 3.783 20 0 DHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423234104 1027455233 /nfs/dbraw/zinc/45/52/33/1027455233.db2.gz KYAROJFVERLSAZ-QAPCUYQASA-N 2 2 310.441 3.765 20 0 DHADLP CCC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccsc1 ZINC000423223555 1027466139 /nfs/dbraw/zinc/46/61/39/1027466139.db2.gz ALISECKGPVNEDY-MRXNPFEDSA-N 2 2 316.474 3.506 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(Br)c1 ZINC000423242535 1027471580 /nfs/dbraw/zinc/47/15/80/1027471580.db2.gz MDRGNRRUOAEHBF-MLGOLLRUSA-N 2 2 319.246 3.800 20 0 DHADLP COCCC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000423251464 1027475841 /nfs/dbraw/zinc/47/58/41/1027475841.db2.gz WGVLLULHGJBHBV-RTBURBONSA-N 2 2 316.420 3.583 20 0 DHADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000423293564 1027486917 /nfs/dbraw/zinc/48/69/17/1027486917.db2.gz RSZSYZWIEQIACV-HOTGVXAUSA-N 3 2 320.440 3.743 20 0 DHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C1CCSCC1 ZINC000295923045 1027491206 /nfs/dbraw/zinc/49/12/06/1027491206.db2.gz FEMFWUJZOYWAGD-UHFFFAOYSA-N 2 2 307.850 3.511 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC[NH2+]1 ZINC000423393595 1027534963 /nfs/dbraw/zinc/53/49/63/1027534963.db2.gz YXAJGBVZZGTDTR-ACJLOTCBSA-N 2 2 316.395 3.784 20 0 DHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000423509549 1027567846 /nfs/dbraw/zinc/56/78/46/1027567846.db2.gz ROPKWDOMSRSWFY-ACJLOTCBSA-N 2 2 316.420 3.747 20 0 DHADLP Fc1ccc(C([NH2+]CCC[NH2+]C2CC2)c2ccc(F)cc2)cc1 ZINC000423545926 1027585878 /nfs/dbraw/zinc/58/58/78/1027585878.db2.gz FDSOKUTZMNALDG-UHFFFAOYSA-N 2 2 316.395 3.786 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]c2ccc(N(C)C3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000813862071 1027732381 /nfs/dbraw/zinc/73/23/81/1027732381.db2.gz BFAQCPXAQDNLCY-CLCXKQKWSA-N 2 2 301.478 3.673 20 0 DHADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000527536764 1027762568 /nfs/dbraw/zinc/76/25/68/1027762568.db2.gz ZTAGFAJNCZMKDN-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000527536764 1027762583 /nfs/dbraw/zinc/76/25/83/1027762583.db2.gz ZTAGFAJNCZMKDN-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000527536764 1027762593 /nfs/dbraw/zinc/76/25/93/1027762593.db2.gz ZTAGFAJNCZMKDN-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC000527536764 1027762602 /nfs/dbraw/zinc/76/26/02/1027762602.db2.gz ZTAGFAJNCZMKDN-GHTZIAJQSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000527536767 1027763843 /nfs/dbraw/zinc/76/38/43/1027763843.db2.gz ZTAGFAJNCZMKDN-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000527536767 1027763860 /nfs/dbraw/zinc/76/38/60/1027763860.db2.gz ZTAGFAJNCZMKDN-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000527536767 1027763881 /nfs/dbraw/zinc/76/38/81/1027763881.db2.gz ZTAGFAJNCZMKDN-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000527536767 1027763902 /nfs/dbraw/zinc/76/39/02/1027763902.db2.gz ZTAGFAJNCZMKDN-NQIIRXRSSA-N 2 2 323.484 3.875 20 0 DHADLP c1cnc2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)cc2c1 ZINC000527750777 1027874415 /nfs/dbraw/zinc/87/44/15/1027874415.db2.gz FMZVEMVXKDPUPP-LJQANCHMSA-N 2 2 309.457 3.731 20 0 DHADLP c1cnc2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)cc2c1 ZINC000527750777 1027874437 /nfs/dbraw/zinc/87/44/37/1027874437.db2.gz FMZVEMVXKDPUPP-LJQANCHMSA-N 2 2 309.457 3.731 20 0 DHADLP c1cc2cnccc2c(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000527753297 1027880531 /nfs/dbraw/zinc/88/05/31/1027880531.db2.gz SEBGZEZWEPIYLO-LJQANCHMSA-N 2 2 309.457 3.731 20 0 DHADLP c1cc2cnccc2c(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000527753297 1027880548 /nfs/dbraw/zinc/88/05/48/1027880548.db2.gz SEBGZEZWEPIYLO-LJQANCHMSA-N 2 2 309.457 3.731 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc2c(c1)COC2 ZINC000527946583 1027977636 /nfs/dbraw/zinc/97/76/36/1027977636.db2.gz HQJPJRDGJVKRLN-YWZLYKJASA-N 2 2 314.473 3.774 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc2c(c1)COC2 ZINC000527946583 1027977648 /nfs/dbraw/zinc/97/76/48/1027977648.db2.gz HQJPJRDGJVKRLN-YWZLYKJASA-N 2 2 314.473 3.774 20 0 DHADLP c1ccc2c(c1)cc[nH+]c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000527930903 1027992149 /nfs/dbraw/zinc/99/21/49/1027992149.db2.gz JVWQCFUAORADBW-QFBILLFUSA-N 2 2 307.441 3.688 20 0 DHADLP c1ccc2c(c1)cc[nH+]c2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000527930903 1027992169 /nfs/dbraw/zinc/99/21/69/1027992169.db2.gz JVWQCFUAORADBW-QFBILLFUSA-N 2 2 307.441 3.688 20 0 DHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527981508 1028001089 /nfs/dbraw/zinc/00/10/89/1028001089.db2.gz KFBNTHWMJFQFIW-GGPKGHCWSA-N 2 2 313.489 3.628 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527981508 1028001109 /nfs/dbraw/zinc/00/11/09/1028001109.db2.gz KFBNTHWMJFQFIW-GGPKGHCWSA-N 2 2 313.489 3.628 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578049808 1028031032 /nfs/dbraw/zinc/03/10/32/1028031032.db2.gz DQJBCHAHAJEOBQ-OGZRUICASA-N 2 2 308.416 3.642 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000578049808 1028031044 /nfs/dbraw/zinc/03/10/44/1028031044.db2.gz DQJBCHAHAJEOBQ-OGZRUICASA-N 2 2 308.416 3.642 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000528007820 1028034949 /nfs/dbraw/zinc/03/49/49/1028034949.db2.gz CPEYFPLJSBQSTA-JXFKEZNVSA-N 2 2 324.472 3.540 20 0 DHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(-n2cccn2)cc1 ZINC000528007820 1028034960 /nfs/dbraw/zinc/03/49/60/1028034960.db2.gz CPEYFPLJSBQSTA-JXFKEZNVSA-N 2 2 324.472 3.540 20 0 DHADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000366216720 1028063956 /nfs/dbraw/zinc/06/39/56/1028063956.db2.gz ARNJKXBRHRJOAN-RDJZCZTQSA-N 2 2 313.445 3.646 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1ccccc1C)C1CC1)CCC2 ZINC000367436257 1028185275 /nfs/dbraw/zinc/18/52/75/1028185275.db2.gz FAYBJQFYDIGJQP-VQTJNVASSA-N 2 2 323.484 3.988 20 0 DHADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000367996919 1028273684 /nfs/dbraw/zinc/27/36/84/1028273684.db2.gz KGKHHNFXGMBJKX-DWRORGKVSA-N 2 2 320.525 3.607 20 0 DHADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000367996919 1028273690 /nfs/dbraw/zinc/27/36/90/1028273690.db2.gz KGKHHNFXGMBJKX-DWRORGKVSA-N 2 2 320.525 3.607 20 0 DHADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1 ZINC001170770550 1028285492 /nfs/dbraw/zinc/28/54/92/1028285492.db2.gz GJAMWFSMGXLGOR-VAMGGRTRSA-N 2 2 310.441 3.586 20 0 DHADLP CC(C)[C@@H](CSc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101849 1028298684 /nfs/dbraw/zinc/29/86/84/1028298684.db2.gz VRZXQRPSNYCHLS-RDTXWAMCSA-N 2 2 315.486 3.674 20 0 DHADLP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCS2 ZINC000368099545 1028300463 /nfs/dbraw/zinc/30/04/63/1028300463.db2.gz FYFZLPZAPWLACC-YPMHNXCESA-N 2 2 319.861 3.747 20 0 DHADLP Clc1ccc([C@@H]2CC[C@@H]([NH2+]CCCn3cc[nH+]c3)C2)cc1 ZINC000449060658 1028300980 /nfs/dbraw/zinc/30/09/80/1028300980.db2.gz DMIQVQWGWVHAAK-NVXWUHKLSA-N 2 2 303.837 3.853 20 0 DHADLP Clc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)cc1 ZINC000368102412 1028301189 /nfs/dbraw/zinc/30/11/89/1028301189.db2.gz OHHFIKRQAGFPEV-PBHICJAKSA-N 2 2 301.821 3.661 20 0 DHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)C2 ZINC000368103553 1028304558 /nfs/dbraw/zinc/30/45/58/1028304558.db2.gz WUNYYIKPQRWBKK-ICSRJNTNSA-N 2 2 317.436 3.841 20 0 DHADLP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000449051972 1028318819 /nfs/dbraw/zinc/31/88/19/1028318819.db2.gz YLQFOLKWUUXLGU-UYAOXDASSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000449051972 1028318829 /nfs/dbraw/zinc/31/88/29/1028318829.db2.gz YLQFOLKWUUXLGU-UYAOXDASSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000449051972 1028318838 /nfs/dbraw/zinc/31/88/38/1028318838.db2.gz YLQFOLKWUUXLGU-UYAOXDASSA-N 2 2 324.468 3.765 20 0 DHADLP COc1cc2ccccc2cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000449051972 1028318854 /nfs/dbraw/zinc/31/88/54/1028318854.db2.gz YLQFOLKWUUXLGU-UYAOXDASSA-N 2 2 324.468 3.765 20 0 DHADLP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000449081521 1028345359 /nfs/dbraw/zinc/34/53/59/1028345359.db2.gz FXRPJRMMGWUKQJ-VWYCLODISA-N 2 2 322.537 3.967 20 0 DHADLP C[C@@H](C[NH2+]C1CCC(OC2CCCC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000449081521 1028345376 /nfs/dbraw/zinc/34/53/76/1028345376.db2.gz FXRPJRMMGWUKQJ-VWYCLODISA-N 2 2 322.537 3.967 20 0 DHADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000449090312 1028361180 /nfs/dbraw/zinc/36/11/80/1028361180.db2.gz GOPDUYVLVNIWHU-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000449090312 1028361195 /nfs/dbraw/zinc/36/11/95/1028361195.db2.gz GOPDUYVLVNIWHU-SNVBAGLBSA-N 2 2 307.290 3.876 20 0 DHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H](C)C[NH+](C)C ZINC000579399489 1028402173 /nfs/dbraw/zinc/40/21/73/1028402173.db2.gz GXYDWCKSVZBVNN-FSBNRTBOSA-N 2 2 300.368 3.648 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)CC[N@@H+]1C ZINC000449173112 1028414380 /nfs/dbraw/zinc/41/43/80/1028414380.db2.gz NEXJKTBAADYSOC-CHWSQXEVSA-N 2 2 319.449 3.522 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(-c3ccccc3F)s2)CC[N@H+]1C ZINC000449173112 1028414388 /nfs/dbraw/zinc/41/43/88/1028414388.db2.gz NEXJKTBAADYSOC-CHWSQXEVSA-N 2 2 319.449 3.522 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CC2(c3c(F)cccc3F)CCCC2)n1C ZINC000579495980 1028422764 /nfs/dbraw/zinc/42/27/64/1028422764.db2.gz SPGGRRZLQAIKPO-UHFFFAOYSA-N 2 2 319.399 3.608 20 0 DHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CSC[C@H]2C)c(C)c1 ZINC000449193937 1028433627 /nfs/dbraw/zinc/43/36/27/1028433627.db2.gz RWICOGICZJXISK-NJAFHUGGSA-N 2 2 315.486 3.582 20 0 DHADLP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000579587027 1028442253 /nfs/dbraw/zinc/44/22/53/1028442253.db2.gz RISHWHZJJLYYQH-CQSZACIVSA-N 2 2 301.409 3.542 20 0 DHADLP CCC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000579587027 1028442256 /nfs/dbraw/zinc/44/22/56/1028442256.db2.gz RISHWHZJJLYYQH-CQSZACIVSA-N 2 2 301.409 3.542 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000449216059 1028457664 /nfs/dbraw/zinc/45/76/64/1028457664.db2.gz ZURVWASVKDOTKM-APWZRJJASA-N 2 2 313.489 3.919 20 0 DHADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000815558600 1028545027 /nfs/dbraw/zinc/54/50/27/1028545027.db2.gz IKWDGGVUSOYBER-CQSZACIVSA-N 2 2 301.409 3.560 20 0 DHADLP CCc1noc(C)c1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000370464523 1028606218 /nfs/dbraw/zinc/60/62/18/1028606218.db2.gz OOGWMKUNHUUCFG-HNNXBMFYSA-N 2 2 316.449 3.530 20 0 DHADLP CCc1noc(C)c1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000370464523 1028606226 /nfs/dbraw/zinc/60/62/26/1028606226.db2.gz OOGWMKUNHUUCFG-HNNXBMFYSA-N 2 2 316.449 3.530 20 0 DHADLP Cc1csc(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000449473757 1028675395 /nfs/dbraw/zinc/67/53/95/1028675395.db2.gz CFKRZUTUGJOFIO-UHFFFAOYSA-N 2 2 321.515 3.569 20 0 DHADLP Cc1csc(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000449473757 1028675397 /nfs/dbraw/zinc/67/53/97/1028675397.db2.gz CFKRZUTUGJOFIO-UHFFFAOYSA-N 2 2 321.515 3.569 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)Cc1ccc(Cl)cc1)CCC2 ZINC000371426601 1028709039 /nfs/dbraw/zinc/70/90/39/1028709039.db2.gz QNFJPESGCTUPQF-CZUORRHYSA-N 2 2 317.864 3.943 20 0 DHADLP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000119213824 1028773259 /nfs/dbraw/zinc/77/32/59/1028773259.db2.gz OMNBCLLMGCZJBK-KRWDZBQOSA-N 2 2 319.493 3.633 20 0 DHADLP CCc1noc(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000119213824 1028773274 /nfs/dbraw/zinc/77/32/74/1028773274.db2.gz OMNBCLLMGCZJBK-KRWDZBQOSA-N 2 2 319.493 3.633 20 0 DHADLP CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449565359 1028810369 /nfs/dbraw/zinc/81/03/69/1028810369.db2.gz IKRFAOXIZRMKPB-HUUCEWRRSA-N 2 2 323.444 3.809 20 0 DHADLP COC1(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccsc3)CC2)CCC1 ZINC000372997174 1028931415 /nfs/dbraw/zinc/93/14/15/1028931415.db2.gz MZIBQESBSIEYJB-OAHLLOKOSA-N 2 2 322.518 3.650 20 0 DHADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000373186128 1028971610 /nfs/dbraw/zinc/97/16/10/1028971610.db2.gz NFDQGOLSBPZSJV-CAMMJAKZSA-N 2 2 320.525 3.607 20 0 DHADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000373186128 1028971624 /nfs/dbraw/zinc/97/16/24/1028971624.db2.gz NFDQGOLSBPZSJV-CAMMJAKZSA-N 2 2 320.525 3.607 20 0 DHADLP C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000373412729 1029037030 /nfs/dbraw/zinc/03/70/30/1029037030.db2.gz MXUIYGLOBYCEPK-UZLBHIALSA-N 2 2 318.424 3.850 20 0 DHADLP C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000373412729 1029037044 /nfs/dbraw/zinc/03/70/44/1029037044.db2.gz MXUIYGLOBYCEPK-UZLBHIALSA-N 2 2 318.424 3.850 20 0 DHADLP CCC[C@@H](C)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373486607 1029060350 /nfs/dbraw/zinc/06/03/50/1029060350.db2.gz SOBCZGKAMBWIPA-LRVUVFPRSA-N 2 2 306.416 3.818 20 0 DHADLP C[N@H+](Cc1nccs1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411309832 1029101330 /nfs/dbraw/zinc/10/13/30/1029101330.db2.gz SLHFWGWKKJKCKP-UHFFFAOYSA-N 2 2 315.486 3.761 20 0 DHADLP C[N@@H+](Cc1nccs1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411309832 1029101334 /nfs/dbraw/zinc/10/13/34/1029101334.db2.gz SLHFWGWKKJKCKP-UHFFFAOYSA-N 2 2 315.486 3.761 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000568699380 1029115791 /nfs/dbraw/zinc/11/57/91/1029115791.db2.gz SKBGECAKICRLPQ-QLKUMGTLSA-N 2 2 324.415 3.764 20 0 DHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000568699380 1029115797 /nfs/dbraw/zinc/11/57/97/1029115797.db2.gz SKBGECAKICRLPQ-QLKUMGTLSA-N 2 2 324.415 3.764 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(SC(F)F)cc1 ZINC000817966988 1029307591 /nfs/dbraw/zinc/30/75/91/1029307591.db2.gz BCXQNWCIXNKJMK-UHIISALHSA-N 2 2 300.418 3.650 20 0 DHADLP COc1ccc([C@H]([NH2+]C[C@@H](C)[NH3+])c2ccc(Cl)cc2)cc1C ZINC000817972354 1029310625 /nfs/dbraw/zinc/31/06/25/1029310625.db2.gz LHLUQPMFCJFNDD-FZKQIMNGSA-N 2 2 318.848 3.683 20 0 DHADLP COc1ccc([C@H]([NH2+]C[C@H](C)[NH3+])c2ccc(Cl)cc2)cc1C ZINC000817972355 1029312238 /nfs/dbraw/zinc/31/22/38/1029312238.db2.gz LHLUQPMFCJFNDD-SCLBCKFNSA-N 2 2 318.848 3.683 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccsc2C(F)(F)F)[C@@H](C)C1 ZINC000529528598 1029360447 /nfs/dbraw/zinc/36/04/47/1029360447.db2.gz KNXKFYPPVUPPIP-AAEUAGOBSA-N 2 2 320.424 3.929 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccsc2C(F)(F)F)[C@@H](C)C1 ZINC000529528598 1029360458 /nfs/dbraw/zinc/36/04/58/1029360458.db2.gz KNXKFYPPVUPPIP-AAEUAGOBSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccsc2C(F)(F)F)[C@@H](C)C1 ZINC000529528598 1029360473 /nfs/dbraw/zinc/36/04/73/1029360473.db2.gz KNXKFYPPVUPPIP-AAEUAGOBSA-N 2 2 320.424 3.929 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccsc2C(F)(F)F)[C@@H](C)C1 ZINC000529528598 1029360488 /nfs/dbraw/zinc/36/04/88/1029360488.db2.gz KNXKFYPPVUPPIP-AAEUAGOBSA-N 2 2 320.424 3.929 20 0 DHADLP C[NH+](Cc1ccsc1C(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000529523664 1029374676 /nfs/dbraw/zinc/37/46/76/1029374676.db2.gz AZGVQKWHXCMIPT-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629541830 1029365282 /nfs/dbraw/zinc/36/52/82/1029365282.db2.gz WWSVGMKQXYYUIJ-XEZPLFJOSA-N 2 2 315.486 3.910 20 0 DHADLP C[N@@H+](Cc1ccsc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000529523664 1029374635 /nfs/dbraw/zinc/37/46/35/1029374635.db2.gz AZGVQKWHXCMIPT-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[N@H+](Cc1ccsc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000529523664 1029374649 /nfs/dbraw/zinc/37/46/49/1029374649.db2.gz AZGVQKWHXCMIPT-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP C[NH+](Cc1ccsc1C(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000529523664 1029374660 /nfs/dbraw/zinc/37/46/60/1029374660.db2.gz AZGVQKWHXCMIPT-LLVKDONJSA-N 2 2 306.397 3.541 20 0 DHADLP CC(C)[NH+]1CCC([N@H+](C)CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450341150 1029385936 /nfs/dbraw/zinc/38/59/36/1029385936.db2.gz YZSJBMJWTYSTRL-UHFFFAOYSA-N 2 2 320.452 3.593 20 0 DHADLP CC(C)[NH+]1CCC([N@@H+](C)CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450341150 1029385945 /nfs/dbraw/zinc/38/59/45/1029385945.db2.gz YZSJBMJWTYSTRL-UHFFFAOYSA-N 2 2 320.452 3.593 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1)CCC2 ZINC000374575452 1029392231 /nfs/dbraw/zinc/39/22/31/1029392231.db2.gz LYMFEYGBCCWAQV-UXHICEINSA-N 2 2 323.484 3.988 20 0 DHADLP C[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)CC[N@@H+]1C ZINC000450351878 1029407427 /nfs/dbraw/zinc/40/74/27/1029407427.db2.gz AJTOCPKSKRPTNW-MNOVXSKESA-N 2 2 307.800 3.922 20 0 DHADLP C[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(F)c(Cl)cc23)CC[N@H+]1C ZINC000450351878 1029407436 /nfs/dbraw/zinc/40/74/36/1029407436.db2.gz AJTOCPKSKRPTNW-MNOVXSKESA-N 2 2 307.800 3.922 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450379698 1029419682 /nfs/dbraw/zinc/41/96/82/1029419682.db2.gz OQXSKOCHJKYVSH-HUUCEWRRSA-N 2 2 311.420 3.908 20 0 DHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000450379698 1029419693 /nfs/dbraw/zinc/41/96/93/1029419693.db2.gz OQXSKOCHJKYVSH-HUUCEWRRSA-N 2 2 311.420 3.908 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000374859353 1029480487 /nfs/dbraw/zinc/48/04/87/1029480487.db2.gz WGXYKXJWPFELMX-JKSUJKDBSA-N 2 2 312.413 3.788 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000374859353 1029480494 /nfs/dbraw/zinc/48/04/94/1029480494.db2.gz WGXYKXJWPFELMX-JKSUJKDBSA-N 2 2 312.413 3.788 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000450466817 1029496332 /nfs/dbraw/zinc/49/63/32/1029496332.db2.gz JUSGLONDUMQILL-YJBOKZPZSA-N 2 2 320.452 3.593 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)CCCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000450466817 1029496341 /nfs/dbraw/zinc/49/63/41/1029496341.db2.gz JUSGLONDUMQILL-YJBOKZPZSA-N 2 2 320.452 3.593 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)CCCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000450466817 1029496349 /nfs/dbraw/zinc/49/63/49/1029496349.db2.gz JUSGLONDUMQILL-YJBOKZPZSA-N 2 2 320.452 3.593 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(=O)c2ccc(F)cc2)C[C@@H]1C ZINC000450466817 1029496358 /nfs/dbraw/zinc/49/63/58/1029496358.db2.gz JUSGLONDUMQILL-YJBOKZPZSA-N 2 2 320.452 3.593 20 0 DHADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170935349 1029600464 /nfs/dbraw/zinc/60/04/64/1029600464.db2.gz RGJPGTNLFUXLJC-INIZCTEOSA-N 2 2 306.881 3.613 20 0 DHADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170935349 1029600470 /nfs/dbraw/zinc/60/04/70/1029600470.db2.gz RGJPGTNLFUXLJC-INIZCTEOSA-N 2 2 306.881 3.613 20 0 DHADLP FC1(F)CCCC[C@@H]1C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450784313 1029650009 /nfs/dbraw/zinc/65/00/09/1029650009.db2.gz IKPRCVOPLSBRFI-CABCVRRESA-N 2 2 323.431 3.834 20 0 DHADLP FC1(F)CCCC[C@@H]1C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450784313 1029650042 /nfs/dbraw/zinc/65/00/42/1029650042.db2.gz IKPRCVOPLSBRFI-CABCVRRESA-N 2 2 323.431 3.834 20 0 DHADLP FC1(F)CCCC[C@H]1C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450784314 1029650647 /nfs/dbraw/zinc/65/06/47/1029650647.db2.gz IKPRCVOPLSBRFI-GJZGRUSLSA-N 2 2 323.431 3.834 20 0 DHADLP FC1(F)CCCC[C@H]1C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450784314 1029650653 /nfs/dbraw/zinc/65/06/53/1029650653.db2.gz IKPRCVOPLSBRFI-GJZGRUSLSA-N 2 2 323.431 3.834 20 0 DHADLP Cc1ccc(C)c(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000450784587 1029652525 /nfs/dbraw/zinc/65/25/25/1029652525.db2.gz JIODRQCDLLBKFQ-SFHVURJKSA-N 2 2 309.457 3.826 20 0 DHADLP Cc1ccc(C)c(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000450784587 1029652535 /nfs/dbraw/zinc/65/25/35/1029652535.db2.gz JIODRQCDLLBKFQ-SFHVURJKSA-N 2 2 309.457 3.826 20 0 DHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)CC(C)C ZINC000303367390 1029732643 /nfs/dbraw/zinc/73/26/43/1029732643.db2.gz KMKNKICCYRCDAH-UHFFFAOYSA-N 2 2 315.461 3.830 20 0 DHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)CC(C)C ZINC000303367390 1029732654 /nfs/dbraw/zinc/73/26/54/1029732654.db2.gz KMKNKICCYRCDAH-UHFFFAOYSA-N 2 2 315.461 3.830 20 0 DHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000121805095 1029857928 /nfs/dbraw/zinc/85/79/28/1029857928.db2.gz KACOBSBPIYTHDD-UHFFFAOYSA-N 2 2 321.827 3.667 20 0 DHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000865721985 1029990226 /nfs/dbraw/zinc/99/02/26/1029990226.db2.gz KFTVTTPUBGZNTN-UHFFFAOYSA-N 2 2 318.427 3.963 20 0 DHADLP c1cn(-c2csc(C[NH2+]C3([C@@H]4CCCCO4)CCC3)c2)c[nH+]1 ZINC000865857714 1030064706 /nfs/dbraw/zinc/06/47/06/1030064706.db2.gz WUMKGCFGSIBQEP-INIZCTEOSA-N 2 2 317.458 3.515 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000557254359 1030076105 /nfs/dbraw/zinc/07/61/05/1030076105.db2.gz HMVHVBBMZCJPHH-UHFFFAOYSA-N 3 2 321.553 3.636 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccccc1 ZINC000924530810 1030116908 /nfs/dbraw/zinc/11/69/08/1030116908.db2.gz BPJHQEQCAHOACW-VHBXLISGSA-N 2 2 316.489 3.617 20 0 DHADLP C[NH+](C)C(C)(C)C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000924542174 1030117351 /nfs/dbraw/zinc/11/73/51/1030117351.db2.gz QRERCPWESDSKDF-UHFFFAOYSA-N 2 2 322.337 3.970 20 0 DHADLP Cc1ncsc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000290585319 1030117992 /nfs/dbraw/zinc/11/79/92/1030117992.db2.gz UWGZQPDYJUGANB-FUHWJXTLSA-N 2 2 324.453 3.666 20 0 DHADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1SC(F)(F)F ZINC000924555210 1030121561 /nfs/dbraw/zinc/12/15/61/1030121561.db2.gz YWGQAKXSHIXFHD-LLVKDONJSA-N 2 2 315.364 3.846 20 0 DHADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(SC(F)(F)F)c1 ZINC000866217088 1030164209 /nfs/dbraw/zinc/16/42/09/1030164209.db2.gz XVXSRTLPYCVFST-LLVKDONJSA-N 2 2 315.364 3.846 20 0 DHADLP CCc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)c2cccnc2)cc1 ZINC000924704726 1030165580 /nfs/dbraw/zinc/16/55/80/1030165580.db2.gz HSKZKNQMINLDIT-RXVVDRJESA-N 2 2 323.484 3.665 20 0 DHADLP CCc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)c2cccnc2)cc1 ZINC000924704726 1030165588 /nfs/dbraw/zinc/16/55/88/1030165588.db2.gz HSKZKNQMINLDIT-RXVVDRJESA-N 2 2 323.484 3.665 20 0 DHADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCc3cccc4cccc1c43)CC2 ZINC000866343325 1030242250 /nfs/dbraw/zinc/24/22/50/1030242250.db2.gz LZEKACCINPKSPE-SJLPKXTDSA-N 2 2 303.409 3.628 20 0 DHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1cccc(-n2cc[nH+]c2)c1 ZINC000925182460 1030296375 /nfs/dbraw/zinc/29/63/75/1030296375.db2.gz GAKSHYUYOZLHAR-PNFOFYCQSA-N 2 2 313.470 3.950 20 0 DHADLP CSc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000358065828 1030307065 /nfs/dbraw/zinc/30/70/65/1030307065.db2.gz NOIJMWSQNUKJFP-UHFFFAOYSA-N 2 2 304.503 3.859 20 0 DHADLP C[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(F)cc(F)c1 ZINC000823683953 1030366320 /nfs/dbraw/zinc/36/63/20/1030366320.db2.gz NAEOZFKXMQEROG-SUMWQHHRSA-N 2 2 321.415 3.969 20 0 DHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1C ZINC000291165604 1030375328 /nfs/dbraw/zinc/37/53/28/1030375328.db2.gz DAJCVLSJHDODPZ-MJGOQNOKSA-N 2 2 310.445 3.528 20 0 DHADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c1C ZINC000291165604 1030375342 /nfs/dbraw/zinc/37/53/42/1030375342.db2.gz DAJCVLSJHDODPZ-MJGOQNOKSA-N 2 2 310.445 3.528 20 0 DHADLP CCC(CC)c1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)on1 ZINC000925519164 1030385305 /nfs/dbraw/zinc/38/53/05/1030385305.db2.gz SMSMVBRMSNCLCR-ZWKOTPCHSA-N 2 2 319.493 3.836 20 0 DHADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171030145 1030391182 /nfs/dbraw/zinc/39/11/82/1030391182.db2.gz LKXOKSQTDBQTNE-HOTGVXAUSA-N 2 2 306.881 3.517 20 0 DHADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171030145 1030391199 /nfs/dbraw/zinc/39/11/99/1030391199.db2.gz LKXOKSQTDBQTNE-HOTGVXAUSA-N 2 2 306.881 3.517 20 0 DHADLP Clc1cccc2c1CC[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)C2 ZINC001171033222 1030400239 /nfs/dbraw/zinc/40/02/39/1030400239.db2.gz LINAIVNHYQKXIN-QGZVFWFLSA-N 2 2 318.892 3.758 20 0 DHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000925593691 1030414319 /nfs/dbraw/zinc/41/43/19/1030414319.db2.gz NPQBZPGIHXGLDA-MRXNPFEDSA-N 2 2 313.489 3.919 20 0 DHADLP CC(C)(C)c1nc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC000866708218 1030427993 /nfs/dbraw/zinc/42/79/93/1030427993.db2.gz PZUPIDBTVXJILJ-QGZVFWFLSA-N 2 2 309.523 3.638 20 0 DHADLP CC(C)(C)c1nc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cs1 ZINC000866708218 1030428001 /nfs/dbraw/zinc/42/80/01/1030428001.db2.gz PZUPIDBTVXJILJ-QGZVFWFLSA-N 2 2 309.523 3.638 20 0 DHADLP [NH3+]Cc1nc2c(s1)CC[N@@H+]([C@H](CC1CC1)c1ccccc1)C2 ZINC000925748189 1030476138 /nfs/dbraw/zinc/47/61/38/1030476138.db2.gz NSLBBVPAUBOYIS-MRXNPFEDSA-N 2 2 313.470 3.501 20 0 DHADLP [NH3+]Cc1nc2c(s1)CC[N@H+]([C@H](CC1CC1)c1ccccc1)C2 ZINC000925748189 1030476146 /nfs/dbraw/zinc/47/61/46/1030476146.db2.gz NSLBBVPAUBOYIS-MRXNPFEDSA-N 2 2 313.470 3.501 20 0 DHADLP Cc1cccc2c1[C@@H](C)C[C@H]2[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749192 1030477690 /nfs/dbraw/zinc/47/76/90/1030477690.db2.gz VEUCBXOAGXOICJ-SWLSCSKDSA-N 2 2 313.470 3.517 20 0 DHADLP Cc1cccc2c1[C@@H](C)C[C@H]2[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925749192 1030477696 /nfs/dbraw/zinc/47/76/96/1030477696.db2.gz VEUCBXOAGXOICJ-SWLSCSKDSA-N 2 2 313.470 3.517 20 0 DHADLP CCC1([NH3+])CC[NH+]([C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000925757753 1030482200 /nfs/dbraw/zinc/48/22/00/1030482200.db2.gz JGTXWQGIFVENKY-GOSISDBHSA-N 2 2 313.420 3.513 20 0 DHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cccnc2F)CC1 ZINC000824314362 1030521148 /nfs/dbraw/zinc/52/11/48/1030521148.db2.gz IWFMWGULRQSPIU-UHFFFAOYSA-N 2 2 321.484 3.990 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1nc2c(s1)CCCC2 ZINC000246553710 1030635993 /nfs/dbraw/zinc/63/59/93/1030635993.db2.gz WRVUQUUJGAPBLR-BFHYXJOUSA-N 2 2 307.507 3.545 20 0 DHADLP C[C@H](c1ccncc1)[NH+](C)CCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000246883747 1030656840 /nfs/dbraw/zinc/65/68/40/1030656840.db2.gz TVNVEJHZVMPKII-IAGOWNOFSA-N 2 2 312.461 3.553 20 0 DHADLP C[C@H](c1ccncc1)[NH+](C)CCC[N@H+](C)[C@H](C)c1ccncc1 ZINC000246883747 1030656856 /nfs/dbraw/zinc/65/68/56/1030656856.db2.gz TVNVEJHZVMPKII-IAGOWNOFSA-N 2 2 312.461 3.553 20 0 DHADLP CC(C)C[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000122335439 1030662431 /nfs/dbraw/zinc/66/24/31/1030662431.db2.gz HJISOWUQJJRCHX-INIZCTEOSA-N 2 2 303.494 3.746 20 0 DHADLP COc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc2ccccc21 ZINC000926450394 1030745984 /nfs/dbraw/zinc/74/59/84/1030745984.db2.gz MEZQQTRKOQTVAS-CJNGLKHVSA-N 2 2 321.424 3.780 20 0 DHADLP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ncccc1Cl ZINC000926752408 1030903008 /nfs/dbraw/zinc/90/30/08/1030903008.db2.gz GKOSPVDKVYPSPD-HOCLYGCPSA-N 2 2 309.885 3.898 20 0 DHADLP CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ncccc1Cl ZINC000926752408 1030903017 /nfs/dbraw/zinc/90/30/17/1030903017.db2.gz GKOSPVDKVYPSPD-HOCLYGCPSA-N 2 2 309.885 3.898 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2ccccn2)c1 ZINC000926752537 1030905771 /nfs/dbraw/zinc/90/57/71/1030905771.db2.gz ALQZEIQYHBFWFJ-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP Cc1cccc([C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)c2ccccn2)c1 ZINC000926752537 1030905785 /nfs/dbraw/zinc/90/57/85/1030905785.db2.gz ALQZEIQYHBFWFJ-WIYYLYMNSA-N 2 2 323.484 3.801 20 0 DHADLP CC(C)[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccnc1 ZINC000359367535 1030930187 /nfs/dbraw/zinc/93/01/87/1030930187.db2.gz BLFITLRFZKCMJL-IBGZPJMESA-N 2 2 306.413 3.754 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000359394422 1030943378 /nfs/dbraw/zinc/94/33/78/1030943378.db2.gz UAYJARNSCCGUMC-IBGZPJMESA-N 2 2 318.505 3.863 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)oc21 ZINC000161817568 1030949416 /nfs/dbraw/zinc/94/94/16/1030949416.db2.gz KKPXYDIWXSXVSC-IJEWVQPXSA-N 2 2 316.445 3.965 20 0 DHADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)oc21 ZINC000161817568 1030949431 /nfs/dbraw/zinc/94/94/31/1030949431.db2.gz KKPXYDIWXSXVSC-IJEWVQPXSA-N 2 2 316.445 3.965 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2C)C1 ZINC001143769743 1030953101 /nfs/dbraw/zinc/95/31/01/1030953101.db2.gz SXQTXQOPGKRFIX-INIZCTEOSA-N 2 2 318.367 3.630 20 0 DHADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2C)C1 ZINC001143769743 1030953106 /nfs/dbraw/zinc/95/31/06/1030953106.db2.gz SXQTXQOPGKRFIX-INIZCTEOSA-N 2 2 318.367 3.630 20 0 DHADLP C[NH+](C)CC[C@@H]([NH2+]C1CC2(C1)CCCCC2)c1cccnc1 ZINC000926898664 1030975496 /nfs/dbraw/zinc/97/54/96/1030975496.db2.gz NRMMZXFAFSIULW-GOSISDBHSA-N 2 2 301.478 3.777 20 0 DHADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000359603306 1031057524 /nfs/dbraw/zinc/05/75/24/1031057524.db2.gz VNILXJNCVIVSEY-BBRMVZONSA-N 2 2 308.853 3.628 20 0 DHADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000359603306 1031057536 /nfs/dbraw/zinc/05/75/36/1031057536.db2.gz VNILXJNCVIVSEY-BBRMVZONSA-N 2 2 308.853 3.628 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442335 1031146790 /nfs/dbraw/zinc/14/67/90/1031146790.db2.gz XEQFPYUUHCCWIA-QGZVFWFLSA-N 2 2 317.383 3.802 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442335 1031146797 /nfs/dbraw/zinc/14/67/97/1031146797.db2.gz XEQFPYUUHCCWIA-QGZVFWFLSA-N 2 2 317.383 3.802 20 0 DHADLP C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282069447 1031219140 /nfs/dbraw/zinc/21/91/40/1031219140.db2.gz NCTLUMYDVHADFE-DOTOQJQBSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282069447 1031219154 /nfs/dbraw/zinc/21/91/54/1031219154.db2.gz NCTLUMYDVHADFE-DOTOQJQBSA-N 2 2 310.445 3.555 20 0 DHADLP C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000268328617 1031228821 /nfs/dbraw/zinc/22/88/21/1031228821.db2.gz AJBPHXJWBCFBTN-HNAYVOBHSA-N 2 2 322.412 3.621 20 0 DHADLP C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000268328617 1031228830 /nfs/dbraw/zinc/22/88/30/1031228830.db2.gz AJBPHXJWBCFBTN-HNAYVOBHSA-N 2 2 322.412 3.621 20 0 DHADLP Cc1c(O)cccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001144107909 1031249350 /nfs/dbraw/zinc/24/93/50/1031249350.db2.gz PMNOCBNBCAGLGT-UHFFFAOYSA-N 2 2 324.468 3.797 20 0 DHADLP Cc1c(O)cccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001144107909 1031249359 /nfs/dbraw/zinc/24/93/59/1031249359.db2.gz PMNOCBNBCAGLGT-UHFFFAOYSA-N 2 2 324.468 3.797 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1nc(-c2ccccc2)cs1 ZINC000360044628 1031253334 /nfs/dbraw/zinc/25/33/34/1031253334.db2.gz GOGALOUZJVSJBA-UONOGXRCSA-N 2 2 312.442 3.746 20 0 DHADLP Cc1c(O)cccc1C[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001144119177 1031257573 /nfs/dbraw/zinc/25/75/73/1031257573.db2.gz VXIVAPZOQQBZHF-UHFFFAOYSA-N 2 2 324.468 3.797 20 0 DHADLP Cc1c(O)cccc1C[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001144119177 1031257581 /nfs/dbraw/zinc/25/75/81/1031257581.db2.gz VXIVAPZOQQBZHF-UHFFFAOYSA-N 2 2 324.468 3.797 20 0 DHADLP Cc1c(O)cccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001144121143 1031260526 /nfs/dbraw/zinc/26/05/26/1031260526.db2.gz ZKPQOUJICJJGPX-UHFFFAOYSA-N 2 2 302.462 3.539 20 0 DHADLP Cc1c(O)cccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001144121143 1031260542 /nfs/dbraw/zinc/26/05/42/1031260542.db2.gz ZKPQOUJICJJGPX-UHFFFAOYSA-N 2 2 302.462 3.539 20 0 DHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)oc3ccccc32)C1 ZINC000536697042 1031404314 /nfs/dbraw/zinc/40/43/14/1031404314.db2.gz AFDWCVFUKSPCLA-CYBMUJFWSA-N 2 2 306.837 3.860 20 0 DHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(Cl)oc3ccccc32)C1 ZINC000536697042 1031404320 /nfs/dbraw/zinc/40/43/20/1031404320.db2.gz AFDWCVFUKSPCLA-CYBMUJFWSA-N 2 2 306.837 3.860 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000536697042 1031404330 /nfs/dbraw/zinc/40/43/30/1031404330.db2.gz AFDWCVFUKSPCLA-CYBMUJFWSA-N 2 2 306.837 3.860 20 0 DHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000536697042 1031404334 /nfs/dbraw/zinc/40/43/34/1031404334.db2.gz AFDWCVFUKSPCLA-CYBMUJFWSA-N 2 2 306.837 3.860 20 0 DHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCc1ccncc1 ZINC000360493461 1031446265 /nfs/dbraw/zinc/44/62/65/1031446265.db2.gz XYVASKSGORCGBD-UHFFFAOYSA-N 2 2 311.473 3.514 20 0 DHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCc1ccncc1 ZINC000360493461 1031446275 /nfs/dbraw/zinc/44/62/75/1031446275.db2.gz XYVASKSGORCGBD-UHFFFAOYSA-N 2 2 311.473 3.514 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(O)c1F ZINC000872061323 1031457060 /nfs/dbraw/zinc/45/70/60/1031457060.db2.gz XGPKYPZMPZIFLS-SOUVJXGZSA-N 2 2 320.452 3.835 20 0 DHADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(O)c1F ZINC000872061323 1031457070 /nfs/dbraw/zinc/45/70/70/1031457070.db2.gz XGPKYPZMPZIFLS-SOUVJXGZSA-N 2 2 320.452 3.835 20 0 DHADLP CC1(C)C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2S1 ZINC000872074219 1031468989 /nfs/dbraw/zinc/46/89/89/1031468989.db2.gz ZDTSHPGAIWTBOM-WBMJQRKESA-N 2 2 313.470 3.872 20 0 DHADLP CC1(C)C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2S1 ZINC000872074217 1031469754 /nfs/dbraw/zinc/46/97/54/1031469754.db2.gz ZDTSHPGAIWTBOM-LRDDRELGSA-N 2 2 313.470 3.872 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)C[C@H]1C ZINC000929782989 1031607604 /nfs/dbraw/zinc/60/76/04/1031607604.db2.gz XXUQYVZMYMQJSF-WBVHZDCISA-N 2 2 313.445 3.646 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)o2)C[C@H]1C ZINC000929782989 1031607612 /nfs/dbraw/zinc/60/76/12/1031607612.db2.gz XXUQYVZMYMQJSF-WBVHZDCISA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)o2)C[C@H]1C ZINC000929782989 1031607617 /nfs/dbraw/zinc/60/76/17/1031607617.db2.gz XXUQYVZMYMQJSF-WBVHZDCISA-N 2 2 313.445 3.646 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)o2)C[C@H]1C ZINC000929782989 1031607621 /nfs/dbraw/zinc/60/76/21/1031607621.db2.gz XXUQYVZMYMQJSF-WBVHZDCISA-N 2 2 313.445 3.646 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]2[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000777843496 1031637264 /nfs/dbraw/zinc/63/72/64/1031637264.db2.gz TZMJTMCWYPIZFT-XJKSGUPXSA-N 2 2 301.821 3.930 20 0 DHADLP Clc1ccc2c(c1)CC[C@H]2[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000777843496 1031637269 /nfs/dbraw/zinc/63/72/69/1031637269.db2.gz TZMJTMCWYPIZFT-XJKSGUPXSA-N 2 2 301.821 3.930 20 0 DHADLP FC1(F)[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)[C@@H]1c1ccccc1 ZINC000929991899 1031668275 /nfs/dbraw/zinc/66/82/75/1031668275.db2.gz KPEGLNPYDBZQQM-JYJNAYRXSA-N 2 2 317.383 3.638 20 0 DHADLP FC1(F)[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)[C@@H]1c1ccccc1 ZINC000929991899 1031668279 /nfs/dbraw/zinc/66/82/79/1031668279.db2.gz KPEGLNPYDBZQQM-JYJNAYRXSA-N 2 2 317.383 3.638 20 0 DHADLP Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361009522 1031673527 /nfs/dbraw/zinc/67/35/27/1031673527.db2.gz LAVQBJGTSNLYGO-IBGZPJMESA-N 2 2 319.408 3.745 20 0 DHADLP Cc1nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C)s1 ZINC000361089728 1031721176 /nfs/dbraw/zinc/72/11/76/1031721176.db2.gz XPXYGSGAOHKCLA-UHFFFAOYSA-N 2 2 318.490 3.649 20 0 DHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(C(C)(C)C)s2)s1 ZINC000873153964 1031727103 /nfs/dbraw/zinc/72/71/03/1031727103.db2.gz NNXDTXLWGOOFGD-UHFFFAOYSA-N 2 2 323.531 3.854 20 0 DHADLP Cc1cc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)ccc1Oc1cccnc1 ZINC000873230555 1031763401 /nfs/dbraw/zinc/76/34/01/1031763401.db2.gz TXDPDKXROBVRPI-VQTJNVASSA-N 2 2 323.440 3.557 20 0 DHADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C(F)(F)F)nc1 ZINC000873296652 1031793084 /nfs/dbraw/zinc/79/30/84/1031793084.db2.gz KTSLWTRJEHUUEZ-COLVAYQJSA-N 2 2 321.346 3.896 20 0 DHADLP FC1(F)CC[C@@H](CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000898018063 1031920455 /nfs/dbraw/zinc/92/04/55/1031920455.db2.gz YJRXZYGJBAIXAN-LBPRGKRZSA-N 2 2 311.401 3.849 20 0 DHADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361493548 1031953430 /nfs/dbraw/zinc/95/34/30/1031953430.db2.gz TUYGJIDAZCEVPN-FOIQADDNSA-N 2 2 303.409 3.895 20 0 DHADLP Cc1nc(C)c([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000361497386 1031955923 /nfs/dbraw/zinc/95/59/23/1031955923.db2.gz PCJGSTSDDKIBSG-LBPRGKRZSA-N 2 2 312.442 3.796 20 0 DHADLP Clc1sccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000361542695 1031979567 /nfs/dbraw/zinc/97/95/67/1031979567.db2.gz FZRLIWCDTXHVGD-WFASDCNBSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1sccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000361542695 1031979572 /nfs/dbraw/zinc/97/95/72/1031979572.db2.gz FZRLIWCDTXHVGD-WFASDCNBSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1sccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000361542695 1031979586 /nfs/dbraw/zinc/97/95/86/1031979586.db2.gz FZRLIWCDTXHVGD-WFASDCNBSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1sccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000361542695 1031979592 /nfs/dbraw/zinc/97/95/92/1031979592.db2.gz FZRLIWCDTXHVGD-WFASDCNBSA-N 2 2 310.894 3.850 20 0 DHADLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000361654346 1032038443 /nfs/dbraw/zinc/03/84/43/1032038443.db2.gz KTKOEKIJJSVNOT-HZPDHXFCSA-N 2 2 313.445 3.818 20 0 DHADLP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001246621618 1032040545 /nfs/dbraw/zinc/04/05/45/1032040545.db2.gz PGYZQNGNFFXCJW-ZDUSSCGKSA-N 2 2 310.894 3.506 20 0 DHADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000539201205 1033296214 /nfs/dbraw/zinc/29/62/14/1033296214.db2.gz RCPKKXIPARNCLD-MRXNPFEDSA-N 2 2 316.493 3.736 20 0 DHADLP C[NH+](C)[C@]1(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCSC1 ZINC000539214162 1033299180 /nfs/dbraw/zinc/29/91/80/1033299180.db2.gz BEQRNEXNLPMMKC-SJORKVTESA-N 2 2 324.921 3.818 20 0 DHADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000643526837 1033389646 /nfs/dbraw/zinc/38/96/46/1033389646.db2.gz AIORYDICWZBQQA-HTQZYQBOSA-N 2 2 314.273 3.722 20 0 DHADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172847027 1033418271 /nfs/dbraw/zinc/41/82/71/1033418271.db2.gz CBCMNZQEFUSOHG-LBPRGKRZSA-N 2 2 317.795 3.848 20 0 DHADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(SC(F)F)cc1 ZINC000151153656 1033421285 /nfs/dbraw/zinc/42/12/85/1033421285.db2.gz WVZSXIYGHFVMMW-LBPRGKRZSA-N 2 2 311.401 3.939 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172858298 1033428946 /nfs/dbraw/zinc/42/89/46/1033428946.db2.gz LLQNSLYQKLFUMP-DYVFJYSZSA-N 2 2 324.871 3.874 20 0 DHADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172858298 1033428960 /nfs/dbraw/zinc/42/89/60/1033428960.db2.gz LLQNSLYQKLFUMP-DYVFJYSZSA-N 2 2 324.871 3.874 20 0 DHADLP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000877794696 1033454803 /nfs/dbraw/zinc/45/48/03/1033454803.db2.gz QFRDMDSUMWSZLY-CYBMUJFWSA-N 2 2 305.293 3.521 20 0 DHADLP CO[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)[C@H]([NH3+])c2ccccc2)C1 ZINC001172919751 1033467527 /nfs/dbraw/zinc/46/75/27/1033467527.db2.gz XDMNFMGVZNIUGO-DOIPELPJSA-N 2 2 324.468 3.975 20 0 DHADLP COCC[N@H+](C1CC[NH+](C)CC1)C1CCC2(CCCCC2)CC1 ZINC001173119541 1033554950 /nfs/dbraw/zinc/55/49/50/1033554950.db2.gz RWVARZBYKHXTLD-UHFFFAOYSA-N 2 2 322.537 3.922 20 0 DHADLP COCC[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CCCCC2)CC1 ZINC001173119541 1033554953 /nfs/dbraw/zinc/55/49/53/1033554953.db2.gz RWVARZBYKHXTLD-UHFFFAOYSA-N 2 2 322.537 3.922 20 0 DHADLP Clc1ccnc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000924710684 1033570709 /nfs/dbraw/zinc/57/07/09/1033570709.db2.gz APQOMECMRJNHNM-KRWDZBQOSA-N 2 2 319.880 3.576 20 0 DHADLP C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]CC1C[NH+](C)C1 ZINC001173212367 1033613996 /nfs/dbraw/zinc/61/39/96/1033613996.db2.gz XBIXZCMGFXXKOS-QGZVFWFLSA-N 2 2 308.469 3.748 20 0 DHADLP C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]CC1C[NH+](C)C1 ZINC001173212366 1033615176 /nfs/dbraw/zinc/61/51/76/1033615176.db2.gz XBIXZCMGFXXKOS-KRWDZBQOSA-N 2 2 308.469 3.748 20 0 DHADLP CC[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])c2ccc(Br)cc2)C1 ZINC001173263326 1033635045 /nfs/dbraw/zinc/63/50/45/1033635045.db2.gz JYTSZRDZPHOLHD-KCPJHIHWSA-N 2 2 311.267 3.617 20 0 DHADLP FC1(F)CCC[C@H]1CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000878321060 1033657359 /nfs/dbraw/zinc/65/73/59/1033657359.db2.gz LWBTUBBCCVFWIK-AWEZNQCLSA-N 2 2 309.404 3.783 20 0 DHADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001173545629 1033763863 /nfs/dbraw/zinc/76/38/63/1033763863.db2.gz ZRAUMMRGNVOGID-TZMCWYRMSA-N 2 2 315.288 3.998 20 0 DHADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001173545629 1033763877 /nfs/dbraw/zinc/76/38/77/1033763877.db2.gz ZRAUMMRGNVOGID-TZMCWYRMSA-N 2 2 315.288 3.998 20 0 DHADLP CC(C)[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1F ZINC000667505370 1033797496 /nfs/dbraw/zinc/79/74/96/1033797496.db2.gz NCGPTRULVXBPJS-UHFFFAOYSA-N 2 2 324.403 3.817 20 0 DHADLP CC(C)[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1F ZINC000667505370 1033797505 /nfs/dbraw/zinc/79/75/05/1033797505.db2.gz NCGPTRULVXBPJS-UHFFFAOYSA-N 2 2 324.403 3.817 20 0 DHADLP c1ccc2c(c1)CCC21CCC([NH2+]CCOc2cc[nH+]cc2)CC1 ZINC001173686425 1033830152 /nfs/dbraw/zinc/83/01/52/1033830152.db2.gz PKYYCSPLRTUVQI-UHFFFAOYSA-N 2 2 322.452 3.877 20 0 DHADLP CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H](C)c1ccc(F)cc1 ZINC000667534081 1033857035 /nfs/dbraw/zinc/85/70/35/1033857035.db2.gz MFKWBZJJAIAFHV-HNNXBMFYSA-N 2 2 324.403 3.990 20 0 DHADLP CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H](C)c1ccc(F)cc1 ZINC000667534081 1033857059 /nfs/dbraw/zinc/85/70/59/1033857059.db2.gz MFKWBZJJAIAFHV-HNNXBMFYSA-N 2 2 324.403 3.990 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924727392 1033890811 /nfs/dbraw/zinc/89/08/11/1033890811.db2.gz ADEIOHNSQKTBHT-GJZGRUSLSA-N 2 2 318.852 3.623 20 0 DHADLP CC(C)Oc1ccccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001137140697 1033923382 /nfs/dbraw/zinc/92/33/82/1033923382.db2.gz LXKAFMOBCIYTQL-UHFFFAOYSA-N 2 2 316.489 3.924 20 0 DHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cnn(C2CCC2)c1 ZINC000924729666 1033932868 /nfs/dbraw/zinc/93/28/68/1033932868.db2.gz NIYQWNUWBRQXRV-YOEHRIQHSA-N 2 2 315.465 3.570 20 0 DHADLP CC1([NH+]2CCCCC2)CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000879950734 1034164840 /nfs/dbraw/zinc/16/48/40/1034164840.db2.gz AXEKIUCDXMBZTP-CQSZACIVSA-N 2 2 319.320 3.911 20 0 DHADLP CC[C@@H](F)C[NH+]1CCCC2(CCC[N@@H+](C[C@H](F)CC)C2)C1 ZINC000554947010 1034427585 /nfs/dbraw/zinc/42/75/85/1034427585.db2.gz QCDFLTLVXUNYNP-YNPPLXCJSA-N 2 2 302.453 3.661 20 0 DHADLP CC[C@@H](F)C[NH+]1CCCC2(CCC[N@H+](C[C@H](F)CC)C2)C1 ZINC000554947010 1034427591 /nfs/dbraw/zinc/42/75/91/1034427591.db2.gz QCDFLTLVXUNYNP-YNPPLXCJSA-N 2 2 302.453 3.661 20 0 DHADLP C[C@H](C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000184021450 1034439403 /nfs/dbraw/zinc/43/94/03/1034439403.db2.gz TXBJMAQJAILRMO-CQSZACIVSA-N 2 2 312.442 3.564 20 0 DHADLP C[C@H](C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)c1nccs1 ZINC000184021450 1034439407 /nfs/dbraw/zinc/43/94/07/1034439407.db2.gz TXBJMAQJAILRMO-CQSZACIVSA-N 2 2 312.442 3.564 20 0 DHADLP Clc1cnccc1[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001168364792 1034482461 /nfs/dbraw/zinc/48/24/61/1034482461.db2.gz HWNNGRRLXFZHSL-SFHVURJKSA-N 2 2 319.880 3.650 20 0 DHADLP [NH3+][C@@H]1CCc2cc(-c3cc(F)cc(Cn4cc[nH+]c4)c3)ccc2C1 ZINC000899324958 1034568967 /nfs/dbraw/zinc/56/89/67/1034568967.db2.gz SJAATAIHJJWCPY-HXUWFJFHSA-N 2 2 321.399 3.554 20 0 DHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccnc2F)cc1 ZINC000794836158 1034600099 /nfs/dbraw/zinc/60/00/99/1034600099.db2.gz NRDSGTCPKJUCQP-ZDUSSCGKSA-N 2 2 310.376 3.566 20 0 DHADLP C[Si](C)(C)C([NH2+]C1CC[NH+](CC2CC2)CC1)[Si](C)(C)C ZINC001168366306 1035015856 /nfs/dbraw/zinc/01/58/56/1035015856.db2.gz OGXBSIMZNCGVHQ-UHFFFAOYSA-N 2 2 312.650 3.574 20 0 DHADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000481928333 1035035838 /nfs/dbraw/zinc/03/58/38/1035035838.db2.gz RBDMRAUYTUHWKL-BLLLJJGKSA-N 2 2 314.395 3.566 20 0 DHADLP C[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000481991729 1035043325 /nfs/dbraw/zinc/04/33/25/1035043325.db2.gz POJNYTGUYYABQL-IXDOHACOSA-N 2 2 301.478 3.712 20 0 DHADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000481991725 1035044425 /nfs/dbraw/zinc/04/44/25/1035044425.db2.gz POJNYTGUYYABQL-IKGGRYGDSA-N 2 2 301.478 3.712 20 0 DHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000482241168 1035072642 /nfs/dbraw/zinc/07/26/42/1035072642.db2.gz HYVIYVKQZQQHHY-VQIMIIECSA-N 2 2 304.478 3.571 20 0 DHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000482241168 1035072652 /nfs/dbraw/zinc/07/26/52/1035072652.db2.gz HYVIYVKQZQQHHY-VQIMIIECSA-N 2 2 304.478 3.571 20 0 DHADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccn(C)c2)CCCC1)c1ccccc1 ZINC000482757530 1035174899 /nfs/dbraw/zinc/17/48/99/1035174899.db2.gz YMYMBEDRWRILOR-KRWDZBQOSA-N 2 2 311.473 3.778 20 0 DHADLP Fc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1C(F)(F)F ZINC000162557138 1035254258 /nfs/dbraw/zinc/25/42/58/1035254258.db2.gz AFHYBZGNPYHCAW-UHFFFAOYSA-N 2 2 316.342 3.561 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483513310 1035276001 /nfs/dbraw/zinc/27/60/01/1035276001.db2.gz ZIMONEJAXHVGIS-MRRJBJDNSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000483513310 1035276007 /nfs/dbraw/zinc/27/60/07/1035276007.db2.gz ZIMONEJAXHVGIS-MRRJBJDNSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000483513310 1035276010 /nfs/dbraw/zinc/27/60/10/1035276010.db2.gz ZIMONEJAXHVGIS-MRRJBJDNSA-N 2 2 310.844 3.956 20 0 DHADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483513310 1035276013 /nfs/dbraw/zinc/27/60/13/1035276013.db2.gz ZIMONEJAXHVGIS-MRRJBJDNSA-N 2 2 310.844 3.956 20 0 DHADLP Cc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC001177217241 1035357416 /nfs/dbraw/zinc/35/74/16/1035357416.db2.gz FOUFQTBFDAVYIR-UHFFFAOYSA-N 2 2 309.388 3.669 20 0 DHADLP c1ccc(NCCCC[NH2+]Cc2ccc3c(c2)CCCC3)[nH+]c1 ZINC001177655552 1035387942 /nfs/dbraw/zinc/38/79/42/1035387942.db2.gz HCGNGYWEMHMORM-UHFFFAOYSA-N 2 2 309.457 3.942 20 0 DHADLP C[NH+](C)CC[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)C(C)(C)C ZINC001177823265 1035391805 /nfs/dbraw/zinc/39/18/05/1035391805.db2.gz SMYJUWKFYQYJEP-KRWDZBQOSA-N 2 2 314.477 3.533 20 0 DHADLP CC(C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC001177944278 1035402404 /nfs/dbraw/zinc/40/24/04/1035402404.db2.gz YTHSPEPMPRIIQX-FQEVSTJZSA-N 2 2 320.440 3.797 20 0 DHADLP Cc1cc([NH2+]CC2CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC001178030809 1035407673 /nfs/dbraw/zinc/40/76/73/1035407673.db2.gz NQDVMIBSALYOFY-UHFFFAOYSA-N 2 2 301.478 3.739 20 0 DHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001179147698 1035466248 /nfs/dbraw/zinc/46/62/48/1035466248.db2.gz JEKWAGWXYUQORN-IHPCNDPISA-N 2 2 322.537 3.682 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC001179173804 1035468958 /nfs/dbraw/zinc/46/89/58/1035468958.db2.gz ZTBWCPKEUAXXMU-PYTPGESOSA-N 2 2 320.427 3.975 20 0 DHADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c(F)c1 ZINC001179173804 1035468960 /nfs/dbraw/zinc/46/89/60/1035468960.db2.gz ZTBWCPKEUAXXMU-PYTPGESOSA-N 2 2 320.427 3.975 20 0 DHADLP C([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001179314818 1035473748 /nfs/dbraw/zinc/47/37/48/1035473748.db2.gz GANCOIUNMFOTTP-BJLQDIEVSA-N 2 2 320.521 3.578 20 0 DHADLP C([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001179314818 1035473750 /nfs/dbraw/zinc/47/37/50/1035473750.db2.gz GANCOIUNMFOTTP-BJLQDIEVSA-N 2 2 320.521 3.578 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC001192930695 1035521669 /nfs/dbraw/zinc/52/16/69/1035521669.db2.gz XWAIVMOYFOCCDC-IRXDYDNUSA-N 2 2 303.494 3.891 20 0 DHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(C)C)C1 ZINC001192930695 1035521678 /nfs/dbraw/zinc/52/16/78/1035521678.db2.gz XWAIVMOYFOCCDC-IRXDYDNUSA-N 2 2 303.494 3.891 20 0 DHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(CC(C)C)nc2)C[C@@H]1C ZINC001179898515 1035523562 /nfs/dbraw/zinc/52/35/62/1035523562.db2.gz OYGURDTYUXMQSA-QFBILLFUSA-N 2 2 303.494 3.585 20 0 DHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CC(C)C)nc2)C[C@@H]1C ZINC001179898515 1035523577 /nfs/dbraw/zinc/52/35/77/1035523577.db2.gz OYGURDTYUXMQSA-QFBILLFUSA-N 2 2 303.494 3.585 20 0 DHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CC(C)C)nc2)C[C@@H]1C ZINC001179898515 1035523592 /nfs/dbraw/zinc/52/35/92/1035523592.db2.gz OYGURDTYUXMQSA-QFBILLFUSA-N 2 2 303.494 3.585 20 0 DHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CC(C)C)nc2)C[C@@H]1C ZINC001179898515 1035523603 /nfs/dbraw/zinc/52/36/03/1035523603.db2.gz OYGURDTYUXMQSA-QFBILLFUSA-N 2 2 303.494 3.585 20 0 DHADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001192974841 1035531139 /nfs/dbraw/zinc/53/11/39/1035531139.db2.gz AUVBTFWWUAGNQB-WOJBJXKFSA-N 2 2 318.505 3.650 20 0 DHADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001192974841 1035531152 /nfs/dbraw/zinc/53/11/52/1035531152.db2.gz AUVBTFWWUAGNQB-WOJBJXKFSA-N 2 2 318.505 3.650 20 0 DHADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001192974841 1035531168 /nfs/dbraw/zinc/53/11/68/1035531168.db2.gz AUVBTFWWUAGNQB-WOJBJXKFSA-N 2 2 318.505 3.650 20 0 DHADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001192974841 1035531187 /nfs/dbraw/zinc/53/11/87/1035531187.db2.gz AUVBTFWWUAGNQB-WOJBJXKFSA-N 2 2 318.505 3.650 20 0 DHADLP CCOc1cc(F)cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001180146952 1035609869 /nfs/dbraw/zinc/60/98/69/1035609869.db2.gz BGUNCVHBRWBFDY-SFHVURJKSA-N 2 2 320.452 3.675 20 0 DHADLP CCOc1cc(F)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001180146952 1035609878 /nfs/dbraw/zinc/60/98/78/1035609878.db2.gz BGUNCVHBRWBFDY-SFHVURJKSA-N 2 2 320.452 3.675 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)s1 ZINC000224107633 1035671524 /nfs/dbraw/zinc/67/15/24/1035671524.db2.gz KMTISWSZHLCGOY-AXFHLTTASA-N 2 2 317.296 3.644 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)s1 ZINC000224107633 1035671531 /nfs/dbraw/zinc/67/15/31/1035671531.db2.gz KMTISWSZHLCGOY-AXFHLTTASA-N 2 2 317.296 3.644 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224114298 1035670301 /nfs/dbraw/zinc/67/03/01/1035670301.db2.gz VHEDDCQCOSILBX-OBJOEFQTSA-N 2 2 309.523 3.882 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224114298 1035670309 /nfs/dbraw/zinc/67/03/09/1035670309.db2.gz VHEDDCQCOSILBX-OBJOEFQTSA-N 2 2 309.523 3.882 20 0 DHADLP CC(C)c1cc(N2CCC(C[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000535593850 1035710898 /nfs/dbraw/zinc/71/08/98/1035710898.db2.gz ITSMTKBLZWJGNA-UHFFFAOYSA-N 2 2 304.482 3.501 20 0 DHADLP C[NH+](C)C1(C[NH2+]CCCc2c(Cl)cccc2Cl)CCC1 ZINC001180952656 1035795513 /nfs/dbraw/zinc/79/55/13/1035795513.db2.gz MOFJWNVLTARKMJ-UHFFFAOYSA-N 2 2 315.288 4.000 20 0 DHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000539742282 1035844075 /nfs/dbraw/zinc/84/40/75/1035844075.db2.gz YEWGKOABBBFFME-BEFAXECRSA-N 2 2 324.472 3.639 20 0 DHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000539742282 1035844092 /nfs/dbraw/zinc/84/40/92/1035844092.db2.gz YEWGKOABBBFFME-BEFAXECRSA-N 2 2 324.472 3.639 20 0 DHADLP COC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000194071053 1035968819 /nfs/dbraw/zinc/96/88/19/1035968819.db2.gz NYKHXEZNOJUIFQ-INIZCTEOSA-N 2 2 319.836 3.514 20 0 DHADLP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906588110 1036013373 /nfs/dbraw/zinc/01/33/73/1036013373.db2.gz FGHHDYIYTGKXIX-QZTJIDSGSA-N 2 2 302.437 3.632 20 0 DHADLP CCC(CC)[N@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001194782299 1036020139 /nfs/dbraw/zinc/02/01/39/1036020139.db2.gz PYJOGWVQIHEPJT-FQEVSTJZSA-N 2 2 318.505 3.788 20 0 DHADLP CCC(CC)[N@@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001194782299 1036020162 /nfs/dbraw/zinc/02/01/62/1036020162.db2.gz PYJOGWVQIHEPJT-FQEVSTJZSA-N 2 2 318.505 3.788 20 0 DHADLP CCC(CC)[NH+](CC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001194782299 1036020183 /nfs/dbraw/zinc/02/01/83/1036020183.db2.gz PYJOGWVQIHEPJT-FQEVSTJZSA-N 2 2 318.505 3.788 20 0 DHADLP CCC(CC)[NH+](CC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001194782299 1036020205 /nfs/dbraw/zinc/02/02/05/1036020205.db2.gz PYJOGWVQIHEPJT-FQEVSTJZSA-N 2 2 318.505 3.788 20 0 DHADLP CC[C@H](C)[C@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)OC ZINC001182035131 1036080149 /nfs/dbraw/zinc/08/01/49/1036080149.db2.gz WTPXJDJPALBKMG-GUYCJALGSA-N 2 2 321.852 3.676 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccco3)s2)C[C@H]1C ZINC000494949913 1036149452 /nfs/dbraw/zinc/14/94/52/1036149452.db2.gz DXVMEUJXBKTKAQ-KGLIPLIRSA-N 2 2 319.474 3.708 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccco3)s2)C[C@H]1C ZINC000494949913 1036149456 /nfs/dbraw/zinc/14/94/56/1036149456.db2.gz DXVMEUJXBKTKAQ-KGLIPLIRSA-N 2 2 319.474 3.708 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)C[C@H]1C ZINC000494949913 1036149464 /nfs/dbraw/zinc/14/94/64/1036149464.db2.gz DXVMEUJXBKTKAQ-KGLIPLIRSA-N 2 2 319.474 3.708 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)C[C@H]1C ZINC000494949913 1036149471 /nfs/dbraw/zinc/14/94/71/1036149471.db2.gz DXVMEUJXBKTKAQ-KGLIPLIRSA-N 2 2 319.474 3.708 20 0 DHADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001168474975 1036173612 /nfs/dbraw/zinc/17/36/12/1036173612.db2.gz OUEAVJNZFXFUJW-INIZCTEOSA-N 2 2 304.453 3.707 20 0 DHADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)[C@H]2C1 ZINC000495131807 1036276561 /nfs/dbraw/zinc/27/65/61/1036276561.db2.gz ZMVVBFNQBYIVML-KSSFIOAISA-N 2 2 314.404 3.612 20 0 DHADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)[C@H]2C1 ZINC000495131807 1036276576 /nfs/dbraw/zinc/27/65/76/1036276576.db2.gz ZMVVBFNQBYIVML-KSSFIOAISA-N 2 2 314.404 3.612 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccc(F)cc4)o3)[C@H]2C1 ZINC000495131807 1036276593 /nfs/dbraw/zinc/27/65/93/1036276593.db2.gz ZMVVBFNQBYIVML-KSSFIOAISA-N 2 2 314.404 3.612 20 0 DHADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccc(F)cc4)o3)[C@H]2C1 ZINC000495131807 1036276616 /nfs/dbraw/zinc/27/66/16/1036276616.db2.gz ZMVVBFNQBYIVML-KSSFIOAISA-N 2 2 314.404 3.612 20 0 DHADLP CCc1cnc(C[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)s1 ZINC000541314023 1036290071 /nfs/dbraw/zinc/29/00/71/1036290071.db2.gz VPKJLCIMRJSYML-GOEBONIOSA-N 2 2 309.523 3.696 20 0 DHADLP Fc1ccc(CCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC001182634773 1036404923 /nfs/dbraw/zinc/40/49/23/1036404923.db2.gz OSJFTLSGNSXYFS-ZWKOTPCHSA-N 2 2 308.416 3.504 20 0 DHADLP Fc1ccc(CCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC001182634773 1036404932 /nfs/dbraw/zinc/40/49/32/1036404932.db2.gz OSJFTLSGNSXYFS-ZWKOTPCHSA-N 2 2 308.416 3.504 20 0 DHADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)C1CCC(F)(F)CC1 ZINC001182874214 1036468869 /nfs/dbraw/zinc/46/88/69/1036468869.db2.gz PXLCLMNBQRYBRG-LSDHHAIUSA-N 2 2 302.453 3.910 20 0 DHADLP C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001182873357 1036471392 /nfs/dbraw/zinc/47/13/92/1036471392.db2.gz JTJJVMJZYANFEB-MOPGFXCFSA-N 2 2 318.505 3.692 20 0 DHADLP C(=C\c1ccncc1)\C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000486969639 1036478722 /nfs/dbraw/zinc/47/87/22/1036478722.db2.gz PYJPJTUJXDBFSO-DFOOEPSASA-N 2 2 321.468 3.739 20 0 DHADLP C(=C\c1ccncc1)\C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000486969639 1036478731 /nfs/dbraw/zinc/47/87/31/1036478731.db2.gz PYJPJTUJXDBFSO-DFOOEPSASA-N 2 2 321.468 3.739 20 0 DHADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001205263708 1036556790 /nfs/dbraw/zinc/55/67/90/1036556790.db2.gz BUWSXHHPBFLPDH-AWEZNQCLSA-N 2 2 304.331 3.548 20 0 DHADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001205263708 1036556798 /nfs/dbraw/zinc/55/67/98/1036556798.db2.gz BUWSXHHPBFLPDH-AWEZNQCLSA-N 2 2 304.331 3.548 20 0 DHADLP COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151686866 1036599358 /nfs/dbraw/zinc/59/93/58/1036599358.db2.gz PJTOBNLFDMQQOH-CABCVRRESA-N 2 2 301.434 3.727 20 0 DHADLP CCCCOc1ccccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC001183498308 1036608143 /nfs/dbraw/zinc/60/81/43/1036608143.db2.gz FERKFJRMAZTFOV-UHFFFAOYSA-N 2 2 316.489 3.926 20 0 DHADLP CCOc1c(Cl)cccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000487283571 1036639942 /nfs/dbraw/zinc/63/99/42/1036639942.db2.gz YHZRGVZIOPFYDI-UHFFFAOYSA-N 2 2 319.836 3.726 20 0 DHADLP CCc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001197266119 1036722680 /nfs/dbraw/zinc/72/26/80/1036722680.db2.gz USVOSNICMJUISR-HXUWFJFHSA-N 2 2 305.425 3.977 20 0 DHADLP C[C@H](Cc1ccco1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477455 1036786614 /nfs/dbraw/zinc/78/66/14/1036786614.db2.gz YOBBSGITFHIWPI-SJLPKXTDSA-N 2 2 312.457 3.853 20 0 DHADLP C[C@H](Cc1ccco1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000762477455 1036786635 /nfs/dbraw/zinc/78/66/35/1036786635.db2.gz YOBBSGITFHIWPI-SJLPKXTDSA-N 2 2 312.457 3.853 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001198791208 1037125468 /nfs/dbraw/zinc/12/54/68/1037125468.db2.gz SQZLLRNNVKDTEW-CQSZACIVSA-N 2 2 311.420 3.863 20 0 DHADLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001198791208 1037125474 /nfs/dbraw/zinc/12/54/74/1037125474.db2.gz SQZLLRNNVKDTEW-CQSZACIVSA-N 2 2 311.420 3.863 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)CC[N@@H+]1C ZINC000310105645 1037211333 /nfs/dbraw/zinc/21/13/33/1037211333.db2.gz PCCXCWJHECPRMF-YLJYHZDGSA-N 2 2 324.468 3.838 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccc2)CC[N@H+]1C ZINC000310105645 1037211351 /nfs/dbraw/zinc/21/13/51/1037211351.db2.gz PCCXCWJHECPRMF-YLJYHZDGSA-N 2 2 324.468 3.838 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)CC[N@@H+]1C ZINC000310105642 1037211641 /nfs/dbraw/zinc/21/16/41/1037211641.db2.gz PCCXCWJHECPRMF-XLIONFOSSA-N 2 2 324.468 3.838 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccc2)CC[N@H+]1C ZINC000310105642 1037211651 /nfs/dbraw/zinc/21/16/51/1037211651.db2.gz PCCXCWJHECPRMF-XLIONFOSSA-N 2 2 324.468 3.838 20 0 DHADLP CCc1cc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001185746876 1037225288 /nfs/dbraw/zinc/22/52/88/1037225288.db2.gz VZWLZIIYUWWMRN-QAPCUYQASA-N 2 2 324.472 3.676 20 0 DHADLP CCc1cc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(CC)[nH+]1 ZINC001185746876 1037225299 /nfs/dbraw/zinc/22/52/99/1037225299.db2.gz VZWLZIIYUWWMRN-QAPCUYQASA-N 2 2 324.472 3.676 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc3c(c2)CCC3)c[nH+]1 ZINC001199750540 1037328934 /nfs/dbraw/zinc/32/89/34/1037328934.db2.gz DWMRLYMWFNROGS-UHFFFAOYSA-N 2 2 303.409 3.651 20 0 DHADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2cnccc2c1 ZINC000324190729 1037417499 /nfs/dbraw/zinc/41/74/99/1037417499.db2.gz OMVASKWAFJFNJT-SFHVURJKSA-N 2 2 308.429 3.636 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C[N@@H+]1C1CC1 ZINC000776124133 1037467102 /nfs/dbraw/zinc/46/71/02/1037467102.db2.gz YZEXYQAEGXZFJS-IAQYHMDHSA-N 2 2 313.272 3.751 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C[N@H+]1C1CC1 ZINC000776124133 1037467108 /nfs/dbraw/zinc/46/71/08/1037467108.db2.gz YZEXYQAEGXZFJS-IAQYHMDHSA-N 2 2 313.272 3.751 20 0 DHADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001235891767 1037493797 /nfs/dbraw/zinc/49/37/97/1037493797.db2.gz ITALTKYIJHWUBX-CXAGYDPISA-N 2 2 315.848 3.714 20 0 DHADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001235891767 1037493815 /nfs/dbraw/zinc/49/38/15/1037493815.db2.gz ITALTKYIJHWUBX-CXAGYDPISA-N 2 2 315.848 3.714 20 0 DHADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000493944821 1037598476 /nfs/dbraw/zinc/59/84/76/1037598476.db2.gz LHAZCMHCJHDDPF-CRAIPNDOSA-N 2 2 324.896 3.882 20 0 DHADLP COC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(Cl)cc1 ZINC000493944821 1037598491 /nfs/dbraw/zinc/59/84/91/1037598491.db2.gz LHAZCMHCJHDDPF-CRAIPNDOSA-N 2 2 324.896 3.882 20 0 DHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1cc2sccc2nc1Cl ZINC001205916226 1037611595 /nfs/dbraw/zinc/61/15/95/1037611595.db2.gz TWOPQNUIWZFBNH-WDEREUQCSA-N 2 2 309.866 3.509 20 0 DHADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1cc2sccc2nc1Cl ZINC001205916226 1037611604 /nfs/dbraw/zinc/61/16/04/1037611604.db2.gz TWOPQNUIWZFBNH-WDEREUQCSA-N 2 2 309.866 3.509 20 0 DHADLP Clc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)nc1 ZINC000776170883 1037671887 /nfs/dbraw/zinc/67/18/87/1037671887.db2.gz LHCPCLONEMTEGK-UHFFFAOYSA-N 2 2 321.896 3.869 20 0 DHADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000127054302 1038144901 /nfs/dbraw/zinc/14/49/01/1038144901.db2.gz SVGDKEYRLGLHOL-MNOVXSKESA-N 2 2 317.246 3.579 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000572473204 1038375605 /nfs/dbraw/zinc/37/56/05/1038375605.db2.gz NHVLAXJVYLFQNY-CRAIPNDOSA-N 2 2 318.530 3.946 20 0 DHADLP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000572473204 1038375619 /nfs/dbraw/zinc/37/56/19/1038375619.db2.gz NHVLAXJVYLFQNY-CRAIPNDOSA-N 2 2 318.530 3.946 20 0 DHADLP Fc1ccc(F)c([C@@H]2CCC[N@@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168392655 1038521962 /nfs/dbraw/zinc/52/19/62/1038521962.db2.gz RPFZUWCVBHMRJZ-IBGZPJMESA-N 2 2 320.427 3.976 20 0 DHADLP Fc1ccc(F)c([C@@H]2CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)c1 ZINC001168392655 1038521964 /nfs/dbraw/zinc/52/19/64/1038521964.db2.gz RPFZUWCVBHMRJZ-IBGZPJMESA-N 2 2 320.427 3.976 20 0 DHADLP C[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000573366156 1038906901 /nfs/dbraw/zinc/90/69/01/1038906901.db2.gz GJMCTEBFVIYLQA-IUODEOHRSA-N 2 2 323.362 3.610 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1C ZINC000605421320 1039674142 /nfs/dbraw/zinc/67/41/42/1039674142.db2.gz ZYRRHDITBOQPLV-GOSISDBHSA-N 2 2 316.489 3.588 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1C ZINC000605421320 1039674151 /nfs/dbraw/zinc/67/41/51/1039674151.db2.gz ZYRRHDITBOQPLV-GOSISDBHSA-N 2 2 316.489 3.588 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000605421320 1039674160 /nfs/dbraw/zinc/67/41/60/1039674160.db2.gz ZYRRHDITBOQPLV-GOSISDBHSA-N 2 2 316.489 3.588 20 0 DHADLP CC(=O)c1c(C)cc(C)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000605421320 1039674164 /nfs/dbraw/zinc/67/41/64/1039674164.db2.gz ZYRRHDITBOQPLV-GOSISDBHSA-N 2 2 316.489 3.588 20 0 DHADLP Cc1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1F ZINC000608069284 1040365852 /nfs/dbraw/zinc/36/58/52/1040365852.db2.gz AQQLCBPSMSQKAM-IBGZPJMESA-N 2 2 323.415 3.941 20 0 DHADLP c1cn(C2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)c[nH+]1 ZINC000092648648 185331513 /nfs/dbraw/zinc/33/15/13/185331513.db2.gz GYJFLCZOWQZHNF-UHFFFAOYSA-N 2 2 324.453 3.844 20 0 DHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1nc2ccccc2n1C ZINC000091318781 193038038 /nfs/dbraw/zinc/03/80/38/193038038.db2.gz SQIMQKVRLVTDIC-HNNXBMFYSA-N 2 2 323.444 3.511 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1nccs1 ZINC000093369431 193240262 /nfs/dbraw/zinc/24/02/62/193240262.db2.gz RZBGQVXCODELHE-LBPRGKRZSA-N 2 2 300.431 3.542 20 0 DHADLP CC[N@@H+](Cc1ccsc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564739 193270236 /nfs/dbraw/zinc/27/02/36/193270236.db2.gz QPKWSQUBTKQXLD-UHFFFAOYSA-N 2 2 315.486 3.882 20 0 DHADLP CC[N@H+](Cc1ccsc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564739 193270237 /nfs/dbraw/zinc/27/02/37/193270237.db2.gz QPKWSQUBTKQXLD-UHFFFAOYSA-N 2 2 315.486 3.882 20 0 DHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1N(C)C ZINC000093944390 193331089 /nfs/dbraw/zinc/33/10/89/193331089.db2.gz IPHPWRJHIWZUGY-MRXNPFEDSA-N 2 2 312.461 3.691 20 0 DHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019959919 182170342 /nfs/dbraw/zinc/17/03/42/182170342.db2.gz FEQBXMDYJHIGDM-SWLSCSKDSA-N 2 2 311.267 3.584 20 0 DHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019959919 182170344 /nfs/dbraw/zinc/17/03/44/182170344.db2.gz FEQBXMDYJHIGDM-SWLSCSKDSA-N 2 2 311.267 3.584 20 0 DHADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000272481201 130035444 /nfs/dbraw/zinc/03/54/44/130035444.db2.gz JJOXWTGZYVAXMM-YOEHRIQHSA-N 2 2 321.415 3.684 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000272783728 130064471 /nfs/dbraw/zinc/06/44/71/130064471.db2.gz ZTVXREAVRAQKLV-UHFFFAOYSA-N 2 2 306.397 3.563 20 0 DHADLP Cc1cccc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)c1 ZINC000273081319 130088648 /nfs/dbraw/zinc/08/86/48/130088648.db2.gz LHKSBCTUTTUPSB-IBGZPJMESA-N 2 2 318.424 3.565 20 0 DHADLP Cc1cccc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)c1 ZINC000273081319 130088650 /nfs/dbraw/zinc/08/86/50/130088650.db2.gz LHKSBCTUTTUPSB-IBGZPJMESA-N 2 2 318.424 3.565 20 0 DHADLP C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000273197270 130096248 /nfs/dbraw/zinc/09/62/48/130096248.db2.gz IEHDQZDVAMXRME-IXDOHACOSA-N 2 2 313.445 3.728 20 0 DHADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC000275125800 130293051 /nfs/dbraw/zinc/29/30/51/130293051.db2.gz KISLUUMOMJALCV-KRWDZBQOSA-N 2 2 324.403 3.543 20 0 DHADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cncc(F)c1 ZINC000275125800 130293053 /nfs/dbraw/zinc/29/30/53/130293053.db2.gz KISLUUMOMJALCV-KRWDZBQOSA-N 2 2 324.403 3.543 20 0 DHADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1ccncc1F ZINC000340176851 131001681 /nfs/dbraw/zinc/00/16/81/131001681.db2.gz DICJCZBIDWOIBM-CYBMUJFWSA-N 2 2 312.392 3.620 20 0 DHADLP FC(F)(F)c1cccc([C@@H]2CCC[C@@H]2[NH2+]CCn2cc[nH+]c2)c1 ZINC000284396071 131077190 /nfs/dbraw/zinc/07/71/90/131077190.db2.gz PKVAVRKLJJUWBN-HOTGVXAUSA-N 2 2 323.362 3.828 20 0 DHADLP Cc1ccc2[nH+]cc(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2c1 ZINC000284527377 131089957 /nfs/dbraw/zinc/08/99/57/131089957.db2.gz ZSQJBOPPAXXFBC-DZGCQCFKSA-N 2 2 324.255 3.658 20 0 DHADLP Cc1ccc2[nH+]cc(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)n2c1 ZINC000284527377 131089958 /nfs/dbraw/zinc/08/99/58/131089958.db2.gz ZSQJBOPPAXXFBC-DZGCQCFKSA-N 2 2 324.255 3.658 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000285197773 131146656 /nfs/dbraw/zinc/14/66/56/131146656.db2.gz WKWTVEBHYOMVJD-QAPCUYQASA-N 2 2 313.445 3.504 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000285197773 131146657 /nfs/dbraw/zinc/14/66/57/131146657.db2.gz WKWTVEBHYOMVJD-QAPCUYQASA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000285197773 131146659 /nfs/dbraw/zinc/14/66/59/131146659.db2.gz WKWTVEBHYOMVJD-QAPCUYQASA-N 2 2 313.445 3.504 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)on2)[C@H](C)C1 ZINC000285197773 131146661 /nfs/dbraw/zinc/14/66/61/131146661.db2.gz WKWTVEBHYOMVJD-QAPCUYQASA-N 2 2 313.445 3.504 20 0 DHADLP CCC[N@H+](C)[C@@H](C[NH2+]CC1=CCCOC1)c1ccc(Cl)cc1 ZINC000285493749 131174082 /nfs/dbraw/zinc/17/40/82/131174082.db2.gz IUTQJSWGAUQZBA-SFHVURJKSA-N 2 2 322.880 3.659 20 0 DHADLP CCC[N@@H+](C)[C@@H](C[NH2+]CC1=CCCOC1)c1ccc(Cl)cc1 ZINC000285493749 131174083 /nfs/dbraw/zinc/17/40/83/131174083.db2.gz IUTQJSWGAUQZBA-SFHVURJKSA-N 2 2 322.880 3.659 20 0 DHADLP CCc1nc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000340236952 131244585 /nfs/dbraw/zinc/24/45/85/131244585.db2.gz LEXNQSQVIGPVRS-WBVHZDCISA-N 2 2 315.486 3.631 20 0 DHADLP CCc1nc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cs1 ZINC000340236952 131244586 /nfs/dbraw/zinc/24/45/86/131244586.db2.gz LEXNQSQVIGPVRS-WBVHZDCISA-N 2 2 315.486 3.631 20 0 DHADLP C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000286861395 131252912 /nfs/dbraw/zinc/25/29/12/131252912.db2.gz BBNVWBBOOWQDGA-CABCVRRESA-N 2 2 301.459 3.666 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000287473846 131282280 /nfs/dbraw/zinc/28/22/80/131282280.db2.gz WOVGOESUKFFSRP-ZWOKBUDYSA-N 2 2 309.457 3.704 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000287473846 131282281 /nfs/dbraw/zinc/28/22/81/131282281.db2.gz WOVGOESUKFFSRP-ZWOKBUDYSA-N 2 2 309.457 3.704 20 0 DHADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000289048847 131354618 /nfs/dbraw/zinc/35/46/18/131354618.db2.gz BEVBLRDBASUVHK-PMACEKPBSA-N 2 2 310.441 3.833 20 0 DHADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1)C[NH+](C)C ZINC000297309379 132008416 /nfs/dbraw/zinc/00/84/16/132008416.db2.gz MTVSPVUHBSKELC-HOTGVXAUSA-N 2 2 313.445 3.722 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc(C)c1O ZINC000298411354 132061154 /nfs/dbraw/zinc/06/11/54/132061154.db2.gz NPUYMTDKVPSJPO-UHFFFAOYSA-N 2 2 321.424 3.544 20 0 DHADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000120769248 132150236 /nfs/dbraw/zinc/15/02/36/132150236.db2.gz VOHSITMWPZEUGT-IBGZPJMESA-N 2 2 310.441 3.911 20 0 DHADLP CC(C)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000121353458 132153971 /nfs/dbraw/zinc/15/39/71/132153971.db2.gz RXGMWIYLCGZTQX-UHFFFAOYSA-N 2 2 309.457 3.964 20 0 DHADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000343321710 335079632 /nfs/dbraw/zinc/07/96/32/335079632.db2.gz OMBHYYQUQJREML-ROUUACIJSA-N 2 2 319.493 3.723 20 0 DHADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000343321710 335079633 /nfs/dbraw/zinc/07/96/33/335079633.db2.gz OMBHYYQUQJREML-ROUUACIJSA-N 2 2 319.493 3.723 20 0 DHADLP C[C@H](C[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000525875083 335088971 /nfs/dbraw/zinc/08/89/71/335088971.db2.gz RJOSVQDUCAHHGQ-OXQOHEQNSA-N 2 2 314.448 3.692 20 0 DHADLP C[C@@H](C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000525875222 335089217 /nfs/dbraw/zinc/08/92/17/335089217.db2.gz OIIXLUODAPBEGP-HNNXBMFYSA-N 2 2 309.388 3.905 20 0 DHADLP CCc1cc(NCc2ccccc2C[NH+]2CCCCC2)nc[nH+]1 ZINC000603369384 435335147 /nfs/dbraw/zinc/33/51/47/435335147.db2.gz OPVSPTUVISQQIO-UHFFFAOYSA-N 2 2 310.445 3.637 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C[C@H](c2ccc(Cl)cc2)C(C)C)n1C ZINC000580096409 332937555 /nfs/dbraw/zinc/93/75/55/332937555.db2.gz DKPHAOQMAHZQPQ-KRWDZBQOSA-N 2 2 305.853 3.911 20 0 DHADLP c1ccc(CC[N@@H+]2CC[C@H]([NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000559333293 332027786 /nfs/dbraw/zinc/02/77/86/332027786.db2.gz KCPDSNKBVQNHFK-FKBYEOEOSA-N 2 2 320.480 3.697 20 0 DHADLP c1ccc(CC[N@H+]2CC[C@H]([NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000559333293 332027787 /nfs/dbraw/zinc/02/77/87/332027787.db2.gz KCPDSNKBVQNHFK-FKBYEOEOSA-N 2 2 320.480 3.697 20 0 DHADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000569357341 332030892 /nfs/dbraw/zinc/03/08/92/332030892.db2.gz GUWHOUBLEADXNM-KDOFPFPSSA-N 2 2 318.848 3.952 20 0 DHADLP CCOC(=O)C1([N@H+](C)CCCc2c[nH+]ccc2C)CCCCC1 ZINC000569506965 332111394 /nfs/dbraw/zinc/11/13/94/332111394.db2.gz FJUAPVNAHVRBSA-UHFFFAOYSA-N 2 2 318.461 3.520 20 0 DHADLP CCOC(=O)C1([N@@H+](C)CCCc2c[nH+]ccc2C)CCCCC1 ZINC000569506965 332111396 /nfs/dbraw/zinc/11/13/96/332111396.db2.gz FJUAPVNAHVRBSA-UHFFFAOYSA-N 2 2 318.461 3.520 20 0 DHADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448020296 332178753 /nfs/dbraw/zinc/17/87/53/332178753.db2.gz BHHJPMNXFAVXES-GLJUWKHASA-N 2 2 316.420 3.904 20 0 DHADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000448020296 332178754 /nfs/dbraw/zinc/17/87/54/332178754.db2.gz BHHJPMNXFAVXES-GLJUWKHASA-N 2 2 316.420 3.904 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000533864850 332225301 /nfs/dbraw/zinc/22/53/01/332225301.db2.gz FSVSZNKAYLFSPO-OAHLLOKOSA-N 2 2 315.420 3.979 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000533864850 332225302 /nfs/dbraw/zinc/22/53/02/332225302.db2.gz FSVSZNKAYLFSPO-OAHLLOKOSA-N 2 2 315.420 3.979 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cscn1 ZINC000584302371 332230830 /nfs/dbraw/zinc/23/08/30/332230830.db2.gz BNQDKQMONINAFQ-YCPHGPKFSA-N 2 2 307.507 3.837 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c2ccccc21 ZINC000559859551 332286373 /nfs/dbraw/zinc/28/63/73/332286373.db2.gz YYYDKOGNVRYGFC-CHWSQXEVSA-N 2 2 309.388 3.910 20 0 DHADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c2ccccc21 ZINC000559859551 332286375 /nfs/dbraw/zinc/28/63/75/332286375.db2.gz YYYDKOGNVRYGFC-CHWSQXEVSA-N 2 2 309.388 3.910 20 0 DHADLP CC(C)C[C@H](CN[C@H](c1[nH]cc[nH+]1)C1CCCCC1)[NH+](C)C ZINC000560522824 332350172 /nfs/dbraw/zinc/35/01/72/332350172.db2.gz KBCATGDUELCOQJ-SJORKVTESA-N 2 2 306.498 3.597 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)n1C ZINC000566498441 332458466 /nfs/dbraw/zinc/45/84/66/332458466.db2.gz BBFBZVMOGIZRJO-CQSZACIVSA-N 2 2 306.413 3.641 20 0 DHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000427855250 332543705 /nfs/dbraw/zinc/54/37/05/332543705.db2.gz CJYSDUHWINZJRE-JQWIXIFHSA-N 2 2 310.228 3.856 20 0 DHADLP CCSc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000427858981 332544584 /nfs/dbraw/zinc/54/45/84/332544584.db2.gz VEUFAVMTJFYBQH-DZGCQCFKSA-N 2 2 301.459 3.661 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1OC(F)F ZINC000427887151 332555394 /nfs/dbraw/zinc/55/53/94/332555394.db2.gz ANNMJOLIRPDVLG-GXTWGEPZSA-N 2 2 321.371 3.540 20 0 DHADLP CC(C)Oc1cccc([C@H]([NH2+]CCCn2cc[nH+]c2)C(F)F)c1 ZINC000562492546 332597749 /nfs/dbraw/zinc/59/77/49/332597749.db2.gz AEJUVPIKCCMXHR-INIZCTEOSA-N 2 2 323.387 3.656 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000181995794 333036338 /nfs/dbraw/zinc/03/63/38/333036338.db2.gz LAPNAGYWHMJFJJ-LBPRGKRZSA-N 2 2 315.367 3.974 20 0 DHADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000387684918 333158977 /nfs/dbraw/zinc/15/89/77/333158977.db2.gz FVVLQKXNQGAZCL-CPZBXZKTSA-N 2 2 301.478 3.858 20 0 DHADLP Cc1cccc(CCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000181205331 333168003 /nfs/dbraw/zinc/16/80/03/333168003.db2.gz LQVRUGBAAUTWOC-LJQANCHMSA-N 2 2 311.473 3.616 20 0 DHADLP Cc1cccc(CCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000181205331 333168004 /nfs/dbraw/zinc/16/80/04/333168004.db2.gz LQVRUGBAAUTWOC-LJQANCHMSA-N 2 2 311.473 3.616 20 0 DHADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc2cc[nH]c21 ZINC000309643052 333185403 /nfs/dbraw/zinc/18/54/03/333185403.db2.gz CQXVESSZSYXSIL-INIZCTEOSA-N 2 2 307.441 3.778 20 0 DHADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc2cc[nH]c21 ZINC000309643052 333185404 /nfs/dbraw/zinc/18/54/04/333185404.db2.gz CQXVESSZSYXSIL-INIZCTEOSA-N 2 2 307.441 3.778 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)c[nH+]1 ZINC000343337066 335123453 /nfs/dbraw/zinc/12/34/53/335123453.db2.gz ABJLFOLEKOCIEW-WOJBJXKFSA-N 2 2 310.441 3.690 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000066403573 335131506 /nfs/dbraw/zinc/13/15/06/335131506.db2.gz DKYGUZQUCZDHJQ-UHFFFAOYSA-N 2 2 318.848 3.996 20 0 DHADLP Fc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000120497026 333285923 /nfs/dbraw/zinc/28/59/23/333285923.db2.gz BJOCZLYXUINGOR-IBGZPJMESA-N 2 2 309.388 3.792 20 0 DHADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1F ZINC000390563171 333300539 /nfs/dbraw/zinc/30/05/39/333300539.db2.gz NIABCGZHNLQZLX-LJQANCHMSA-N 2 2 312.432 3.888 20 0 DHADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1F ZINC000390563171 333300540 /nfs/dbraw/zinc/30/05/40/333300540.db2.gz NIABCGZHNLQZLX-LJQANCHMSA-N 2 2 312.432 3.888 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C[N@@H+]1Cc1ccccc1 ZINC000390564375 333300581 /nfs/dbraw/zinc/30/05/81/333300581.db2.gz NHNJBKWKQLPRIF-DJIMGWMZSA-N 2 2 308.416 3.674 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000390564375 333300582 /nfs/dbraw/zinc/30/05/82/333300582.db2.gz NHNJBKWKQLPRIF-DJIMGWMZSA-N 2 2 308.416 3.674 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390576499 333303093 /nfs/dbraw/zinc/30/30/93/333303093.db2.gz DUIXRXAINYVAGT-IRXDYDNUSA-N 2 2 312.457 3.866 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390576499 333303095 /nfs/dbraw/zinc/30/30/95/333303095.db2.gz DUIXRXAINYVAGT-IRXDYDNUSA-N 2 2 312.457 3.866 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000390589077 333303966 /nfs/dbraw/zinc/30/39/66/333303966.db2.gz PTJYYYWXHZNXGM-SJORKVTESA-N 2 2 312.457 3.866 20 0 DHADLP COc1ccc([C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000390589077 333303967 /nfs/dbraw/zinc/30/39/67/333303967.db2.gz PTJYYYWXHZNXGM-SJORKVTESA-N 2 2 312.457 3.866 20 0 DHADLP c1ccc2[nH+]c(CCC[NH2+]C3CCC4(CCCO4)CC3)[nH]c2c1 ZINC000365001543 333334116 /nfs/dbraw/zinc/33/41/16/333334116.db2.gz NCNNACIUBCOIHY-UHFFFAOYSA-N 2 2 313.445 3.577 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CC[N@@H+]1C ZINC000531213522 333334994 /nfs/dbraw/zinc/33/49/94/333334994.db2.gz YLHMWPNYNLFNLM-HIFRSBDPSA-N 2 2 307.507 3.763 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CCCCC3)s2)CC[N@H+]1C ZINC000531213522 333334996 /nfs/dbraw/zinc/33/49/96/333334996.db2.gz YLHMWPNYNLFNLM-HIFRSBDPSA-N 2 2 307.507 3.763 20 0 DHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(C)C)C[C@@H]1C ZINC000531382309 333347939 /nfs/dbraw/zinc/34/79/39/333347939.db2.gz SDRCQHPERKQPPH-WMZOPIPTSA-N 2 2 304.478 3.778 20 0 DHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(C)C)C[C@@H]1C ZINC000531382309 333347941 /nfs/dbraw/zinc/34/79/41/333347941.db2.gz SDRCQHPERKQPPH-WMZOPIPTSA-N 2 2 304.478 3.778 20 0 DHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OC(C)C)C[C@@H]1C ZINC000531382309 333347942 /nfs/dbraw/zinc/34/79/42/333347942.db2.gz SDRCQHPERKQPPH-WMZOPIPTSA-N 2 2 304.478 3.778 20 0 DHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OC(C)C)C[C@@H]1C ZINC000531382309 333347944 /nfs/dbraw/zinc/34/79/44/333347944.db2.gz SDRCQHPERKQPPH-WMZOPIPTSA-N 2 2 304.478 3.778 20 0 DHADLP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000583467821 333359942 /nfs/dbraw/zinc/35/99/42/333359942.db2.gz VOASWDKIMHCOHC-QWFCFKBJSA-N 2 2 300.490 3.814 20 0 DHADLP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000583467821 333359944 /nfs/dbraw/zinc/35/99/44/333359944.db2.gz VOASWDKIMHCOHC-QWFCFKBJSA-N 2 2 300.490 3.814 20 0 DHADLP CSCCCCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000185161160 333369013 /nfs/dbraw/zinc/36/90/13/333369013.db2.gz LDLPURRZLFPLNX-UHFFFAOYSA-N 2 2 303.475 3.804 20 0 DHADLP Clc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1Cl ZINC000021040508 333412922 /nfs/dbraw/zinc/41/29/22/333412922.db2.gz AUVXVDSHRNRQTG-UHFFFAOYSA-N 2 2 301.261 3.959 20 0 DHADLP Brc1cccc2c(NCC[NH+]3CCCC3)cc[nH+]c12 ZINC000338733551 333496749 /nfs/dbraw/zinc/49/67/49/333496749.db2.gz LMGLAPJPJGTOET-UHFFFAOYSA-N 2 2 320.234 3.505 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C2CCC(c3ccc(F)cc3)CC2)n1C ZINC000571107020 333662478 /nfs/dbraw/zinc/66/24/78/333662478.db2.gz VJKZNRCZVPXNQK-UHFFFAOYSA-N 2 2 301.409 3.684 20 0 DHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CS1 ZINC000414232459 333927029 /nfs/dbraw/zinc/92/70/29/333927029.db2.gz PZRZCJPJOOVPFJ-CJNGLKHVSA-N 2 2 324.921 3.788 20 0 DHADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000414740044 334079296 /nfs/dbraw/zinc/07/92/96/334079296.db2.gz CXNYDYMBXMCJHO-DZGCQCFKSA-N 2 2 319.424 3.520 20 0 DHADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000414740044 334079298 /nfs/dbraw/zinc/07/92/98/334079298.db2.gz CXNYDYMBXMCJHO-DZGCQCFKSA-N 2 2 319.424 3.520 20 0 DHADLP FC(F)(F)c1cc[nH+]c(N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000277072589 334086561 /nfs/dbraw/zinc/08/65/61/334086561.db2.gz JAJYODWBEUJRFO-UHFFFAOYSA-N 2 2 313.367 3.555 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000277306994 334087614 /nfs/dbraw/zinc/08/76/14/334087614.db2.gz BJJSQLLXTLIVKA-CQSZACIVSA-N 2 2 318.358 3.761 20 0 DHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000277306994 334087615 /nfs/dbraw/zinc/08/76/15/334087615.db2.gz BJJSQLLXTLIVKA-CQSZACIVSA-N 2 2 318.358 3.761 20 0 DHADLP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)CCO1 ZINC000414821129 334108583 /nfs/dbraw/zinc/10/85/83/334108583.db2.gz BUQFFTHZPYRTMY-ATZDWAIDSA-N 2 2 304.478 3.605 20 0 DHADLP Cc1ccc(-c2nc(C[NH2+]CC3([NH3+])CCCCC3)cs2)cc1 ZINC000414835038 334111177 /nfs/dbraw/zinc/11/11/77/334111177.db2.gz CTXDKMSEAFVQRO-UHFFFAOYSA-N 2 2 315.486 3.870 20 0 DHADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c(Br)c1 ZINC000414840666 334112714 /nfs/dbraw/zinc/11/27/14/334112714.db2.gz XJXJXDCEACFUKQ-INIZCTEOSA-N 2 2 319.246 3.547 20 0 DHADLP COc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1F ZINC000414841346 334112925 /nfs/dbraw/zinc/11/29/25/334112925.db2.gz HXKLDURPMKGPQY-GOSISDBHSA-N 2 2 316.420 3.747 20 0 DHADLP CC[NH2+]Cc1ccccc1NCc1[nH+]ccn1Cc1ccccc1 ZINC000414865113 334135242 /nfs/dbraw/zinc/13/52/42/334135242.db2.gz KEHREWSLROSEOU-UHFFFAOYSA-N 2 2 320.440 3.653 20 0 DHADLP Cc1ccnc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000286204587 334151728 /nfs/dbraw/zinc/15/17/28/334151728.db2.gz RODXGMZTNPFERY-DLBZAZTESA-N 2 2 324.472 3.661 20 0 DHADLP C[C@@H](CC1CCOCC1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414931951 334195184 /nfs/dbraw/zinc/19/51/84/334195184.db2.gz CDBBDIRECLBYAI-YWZLYKJASA-N 2 2 312.457 3.634 20 0 DHADLP Clc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415082889 334272089 /nfs/dbraw/zinc/27/20/89/334272089.db2.gz PAELCMKYUCORLT-FUHWJXTLSA-N 2 2 300.833 3.923 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)cn1 ZINC000414940341 334202349 /nfs/dbraw/zinc/20/23/49/334202349.db2.gz KFTWNAYOYOGIRY-OAQYLSRUSA-N 2 2 319.452 3.765 20 0 DHADLP c1ccc([C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)[NH+]2CCCC2)cc1 ZINC000294873393 334214001 /nfs/dbraw/zinc/21/40/01/334214001.db2.gz WUTTZVMPSWLVIS-RTBURBONSA-N 2 2 314.473 3.515 20 0 DHADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000415086404 334273545 /nfs/dbraw/zinc/27/35/45/334273545.db2.gz JPEMCYTWUMGSJY-ZFWWWQNUSA-N 2 2 300.377 3.631 20 0 DHADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(C)C)c1ccccc1OC(F)F ZINC000415086919 334275365 /nfs/dbraw/zinc/27/53/65/334275365.db2.gz SEWMIQGBPFGACP-GXTWGEPZSA-N 2 2 300.393 3.702 20 0 DHADLP CC[C@H]([NH2+]C[C@H]([NH3+])CC(C)C)c1ccccc1OC(F)F ZINC000415086922 334275597 /nfs/dbraw/zinc/27/55/97/334275597.db2.gz SEWMIQGBPFGACP-OCCSQVGLSA-N 2 2 300.393 3.702 20 0 DHADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000415037940 334260488 /nfs/dbraw/zinc/26/04/88/334260488.db2.gz LNUGUAJKFSLRIO-LBPRGKRZSA-N 2 2 306.759 3.589 20 0 DHADLP COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415064269 334262377 /nfs/dbraw/zinc/26/23/77/334262377.db2.gz CEOHVBZYXHCKJE-GOSISDBHSA-N 2 2 310.441 3.594 20 0 DHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000415061472 334262517 /nfs/dbraw/zinc/26/25/17/334262517.db2.gz CUMBGMXOMJTWLA-ZBCRRDGASA-N 2 2 314.395 3.960 20 0 DHADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000415115075 334283652 /nfs/dbraw/zinc/28/36/52/334283652.db2.gz TYMORUBIEAVKCJ-MCIONIFRSA-N 2 2 307.507 3.593 20 0 DHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580714 334289076 /nfs/dbraw/zinc/28/90/76/334289076.db2.gz NMDWBBVFPAYSQR-ZBFHGGJFSA-N 2 2 322.412 3.626 20 0 DHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580714 334289078 /nfs/dbraw/zinc/28/90/78/334289078.db2.gz NMDWBBVFPAYSQR-ZBFHGGJFSA-N 2 2 322.412 3.626 20 0 DHADLP CSc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1F ZINC000531938978 334299679 /nfs/dbraw/zinc/29/96/79/334299679.db2.gz QMEVNMDUZBDFLQ-ZDUSSCGKSA-N 2 2 307.438 3.875 20 0 DHADLP CC1(C)C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)c2ccccc21 ZINC000531941695 334301844 /nfs/dbraw/zinc/30/18/44/334301844.db2.gz PEXVSXOSFUKIMD-GOSISDBHSA-N 2 2 305.425 3.889 20 0 DHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000531988595 334362684 /nfs/dbraw/zinc/36/26/84/334362684.db2.gz HEKQANCQEGBHPT-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000531988595 334362685 /nfs/dbraw/zinc/36/26/85/334362685.db2.gz HEKQANCQEGBHPT-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000531988595 334362686 /nfs/dbraw/zinc/36/26/86/334362686.db2.gz HEKQANCQEGBHPT-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000531988595 334362687 /nfs/dbraw/zinc/36/26/87/334362687.db2.gz HEKQANCQEGBHPT-CJNGLKHVSA-N 2 2 313.272 3.910 20 0 DHADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535154775 334373429 /nfs/dbraw/zinc/37/34/29/334373429.db2.gz KIMWAIHOVUCMET-GOSISDBHSA-N 2 2 309.457 3.711 20 0 DHADLP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000532041647 334382284 /nfs/dbraw/zinc/38/22/84/334382284.db2.gz ITUBXJKWCFQFFX-MJGOQNOKSA-N 2 2 318.505 3.743 20 0 DHADLP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000532041647 334382285 /nfs/dbraw/zinc/38/22/85/334382285.db2.gz ITUBXJKWCFQFFX-MJGOQNOKSA-N 2 2 318.505 3.743 20 0 DHADLP c1cn(CCCC2CCN(c3cc[nH+]c4ccncc43)CC2)c[nH+]1 ZINC000340778539 334385291 /nfs/dbraw/zinc/38/52/91/334385291.db2.gz LUJVEMIJVPUYKZ-UHFFFAOYSA-N 2 2 321.428 3.523 20 0 DHADLP Cc1c[nH+]c(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)n1C ZINC000341386322 334437770 /nfs/dbraw/zinc/43/77/70/334437770.db2.gz GGBZKJJCYOWHGO-UHFFFAOYSA-N 2 2 311.433 3.525 20 0 DHADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000343787801 335193048 /nfs/dbraw/zinc/19/30/48/335193048.db2.gz GZNCFZORJGUCRC-KBXCAEBGSA-N 2 2 320.440 3.655 20 0 DHADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343853613 335197706 /nfs/dbraw/zinc/19/77/06/335197706.db2.gz IRMALADQKPIEPF-SNVBAGLBSA-N 2 2 315.364 3.759 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000343830415 335200031 /nfs/dbraw/zinc/20/00/31/335200031.db2.gz GKGPFULLWUMSAS-ABSDTBQOSA-N 2 2 309.457 3.876 20 0 DHADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000343830415 335200033 /nfs/dbraw/zinc/20/00/33/335200033.db2.gz GKGPFULLWUMSAS-ABSDTBQOSA-N 2 2 309.457 3.876 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000344073146 335215300 /nfs/dbraw/zinc/21/53/00/335215300.db2.gz CNYGSXHAUZDVCA-GOSISDBHSA-N 2 2 313.420 3.568 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)C[N@@H+]1C1CC1 ZINC000344330336 335241226 /nfs/dbraw/zinc/24/12/26/335241226.db2.gz ODOKBJDARGXRPY-PBFPGSCMSA-N 2 2 320.864 3.769 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)C[N@H+]1C1CC1 ZINC000344330336 335241227 /nfs/dbraw/zinc/24/12/27/335241227.db2.gz ODOKBJDARGXRPY-PBFPGSCMSA-N 2 2 320.864 3.769 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](CCO)c2ccccc2)C1 ZINC000344436159 335253953 /nfs/dbraw/zinc/25/39/53/335253953.db2.gz GDZXOBLDHMHHSG-UIFIKXQLSA-N 2 2 324.468 3.535 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](CCO)c2ccccc2)C1 ZINC000344436159 335253955 /nfs/dbraw/zinc/25/39/55/335253955.db2.gz GDZXOBLDHMHHSG-UIFIKXQLSA-N 2 2 324.468 3.535 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](C)CCc1ccccc1)CCC2 ZINC000344542053 335260416 /nfs/dbraw/zinc/26/04/16/335260416.db2.gz OHAXEBRPXGJQAD-LPHOPBHVSA-N 2 2 311.473 3.927 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](C)CCc1ccccc1)CCC2 ZINC000344542052 335260418 /nfs/dbraw/zinc/26/04/18/335260418.db2.gz OHAXEBRPXGJQAD-APWZRJJASA-N 2 2 311.473 3.927 20 0 DHADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCC(F)(F)C2)n1-c1ccccc1 ZINC000344827156 335278333 /nfs/dbraw/zinc/27/83/33/335278333.db2.gz RBPDNRQEPJRLOD-AWEZNQCLSA-N 2 2 305.372 3.848 20 0 DHADLP COc1cccc2c(NCc3ccc(N(C)C)[nH+]c3)c(C)c[nH+]c12 ZINC000344939356 335286612 /nfs/dbraw/zinc/28/66/12/335286612.db2.gz LAAMSWUBQHKVPH-UHFFFAOYSA-N 2 2 322.412 3.625 20 0 DHADLP Clc1cccc(OCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000345697187 335342550 /nfs/dbraw/zinc/34/25/50/335342550.db2.gz QKDZCCAJUNQYKX-UHFFFAOYSA-N 2 2 319.836 3.712 20 0 DHADLP CS[C@@H]1CCCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346176873 335377967 /nfs/dbraw/zinc/37/79/67/335377967.db2.gz SAKGHVPELOANIW-CQSZACIVSA-N 2 2 307.488 3.651 20 0 DHADLP CS[C@@H]1CCCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346176873 335377969 /nfs/dbraw/zinc/37/79/69/335377969.db2.gz SAKGHVPELOANIW-CQSZACIVSA-N 2 2 307.488 3.651 20 0 DHADLP Fc1cccc2c1C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000346176376 335378123 /nfs/dbraw/zinc/37/81/23/335378123.db2.gz NEAHSUHZVOSAEN-UHFFFAOYSA-N 2 2 313.401 3.631 20 0 DHADLP Fc1cccc2c1C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000346176376 335378124 /nfs/dbraw/zinc/37/81/24/335378124.db2.gz NEAHSUHZVOSAEN-UHFFFAOYSA-N 2 2 313.401 3.631 20 0 DHADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(F)c1 ZINC000346146639 335381515 /nfs/dbraw/zinc/38/15/15/335381515.db2.gz IDICUAKEBXJAHC-UHFFFAOYSA-N 2 2 301.390 3.705 20 0 DHADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(F)c1 ZINC000346146639 335381517 /nfs/dbraw/zinc/38/15/17/335381517.db2.gz IDICUAKEBXJAHC-UHFFFAOYSA-N 2 2 301.390 3.705 20 0 DHADLP CCC1(C)CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000346222498 335385588 /nfs/dbraw/zinc/38/55/88/335385588.db2.gz SXNWTBMBVCWFMJ-UHFFFAOYSA-N 2 2 321.534 3.922 20 0 DHADLP CCC1(C)CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000346222498 335385589 /nfs/dbraw/zinc/38/55/89/335385589.db2.gz SXNWTBMBVCWFMJ-UHFFFAOYSA-N 2 2 321.534 3.922 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000346299521 335393711 /nfs/dbraw/zinc/39/37/11/335393711.db2.gz BKCKXSIIJICFFN-HXUWFJFHSA-N 2 2 311.473 3.926 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000346299521 335393713 /nfs/dbraw/zinc/39/37/13/335393713.db2.gz BKCKXSIIJICFFN-HXUWFJFHSA-N 2 2 311.473 3.926 20 0 DHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000346308070 335398637 /nfs/dbraw/zinc/39/86/37/335398637.db2.gz LAFFCQFAFQRSNL-AWEZNQCLSA-N 2 2 321.827 3.691 20 0 DHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000346308070 335398638 /nfs/dbraw/zinc/39/86/38/335398638.db2.gz LAFFCQFAFQRSNL-AWEZNQCLSA-N 2 2 321.827 3.691 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCCNc3ccccc31)CCC2 ZINC000348074421 335550946 /nfs/dbraw/zinc/55/09/46/335550946.db2.gz LCUWCGGZBQZYHQ-QAPCUYQASA-N 2 2 310.445 3.606 20 0 DHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000348302099 335574229 /nfs/dbraw/zinc/57/42/29/335574229.db2.gz LWUMVXXNDIAJCE-JKSUJKDBSA-N 2 2 305.466 3.542 20 0 DHADLP C[C@H](CCCC(F)(F)F)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348837641 335612371 /nfs/dbraw/zinc/61/23/71/335612371.db2.gz JEQUZJLTXCXAPX-GFCCVEGCSA-N 2 2 312.339 3.859 20 0 DHADLP Clc1cnc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000349366978 335667022 /nfs/dbraw/zinc/66/70/22/335667022.db2.gz KTVDSUBNCBXMLB-UHFFFAOYSA-N 2 2 324.881 3.685 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1cccc(O)c1 ZINC000192035414 336016898 /nfs/dbraw/zinc/01/68/98/336016898.db2.gz GMIOOQBJMYGBQG-GJYPPUQNSA-N 2 2 310.441 3.878 20 0 DHADLP C[C@@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cccc(O)c1 ZINC000192035414 336016899 /nfs/dbraw/zinc/01/68/99/336016899.db2.gz GMIOOQBJMYGBQG-GJYPPUQNSA-N 2 2 310.441 3.878 20 0 DHADLP Clc1ccc2[nH+]c(CNc3[nH+]ccn3-c3ccccc3)cn2c1 ZINC000351567378 336045143 /nfs/dbraw/zinc/04/51/43/336045143.db2.gz JGIFQPHFMGUNKY-UHFFFAOYSA-N 2 2 323.787 3.786 20 0 DHADLP c1cn(-c2ccccc2C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c[nH+]1 ZINC000351905839 336122376 /nfs/dbraw/zinc/12/23/76/336122376.db2.gz JKRPNTNQUZCLRA-RTBURBONSA-N 2 2 303.409 3.766 20 0 DHADLP C[C@@H](C[NH2+]C[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000526113782 336173855 /nfs/dbraw/zinc/17/38/55/336173855.db2.gz IEMAJNVJYODVQW-KXBFYZLASA-N 2 2 300.421 3.822 20 0 DHADLP CC[C@H]([NH2+][C@H](C[NH+]1CCCC1)c1ccccc1)C1CCOCC1 ZINC000532452087 336250012 /nfs/dbraw/zinc/25/00/12/336250012.db2.gz OYQZYYWSPKZUIN-VQTJNVASSA-N 2 2 316.489 3.618 20 0 DHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000532503831 336252611 /nfs/dbraw/zinc/25/26/11/336252611.db2.gz PBPPRNNXMKMUIL-NJAFHUGGSA-N 2 2 314.498 3.880 20 0 DHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000532503831 336252612 /nfs/dbraw/zinc/25/26/12/336252612.db2.gz PBPPRNNXMKMUIL-NJAFHUGGSA-N 2 2 314.498 3.880 20 0 DHADLP CC[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CCOCC1 ZINC000532511402 336252938 /nfs/dbraw/zinc/25/29/38/336252938.db2.gz AADWVKNFQCHOSO-VQIMIIECSA-N 2 2 318.505 3.911 20 0 DHADLP CCc1ccc(C[NH2+]C[C@@H](CC)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000352834531 336271458 /nfs/dbraw/zinc/27/14/58/336271458.db2.gz XKQRUAXKKVXCPZ-OAQYLSRUSA-N 2 2 323.484 3.571 20 0 DHADLP CCCCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000352851182 336279610 /nfs/dbraw/zinc/27/96/10/336279610.db2.gz AOCSBLOKRFPBOB-UHFFFAOYSA-N 2 2 313.445 3.968 20 0 DHADLP Fc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1Cl ZINC000527048621 336281226 /nfs/dbraw/zinc/28/12/26/336281226.db2.gz CKJBUTCJHMWJHU-UHFFFAOYSA-N 2 2 319.811 3.951 20 0 DHADLP Cc1ccc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)co2)cc1 ZINC000352867272 336283808 /nfs/dbraw/zinc/28/38/08/336283808.db2.gz PESBHQBEYOTZEX-UHFFFAOYSA-N 2 2 322.412 3.753 20 0 DHADLP COc1ccccc1[C@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000192945733 336285690 /nfs/dbraw/zinc/28/56/90/336285690.db2.gz BLEZROIHPHYBFC-AWEZNQCLSA-N 2 2 309.413 3.704 20 0 DHADLP Cc1cc(NCCc2cn3ccccc3[nH+]2)c2ccccc2[nH+]1 ZINC000301061196 336287778 /nfs/dbraw/zinc/28/77/78/336287778.db2.gz DGPAOCLBESQOLR-UHFFFAOYSA-N 2 2 302.381 3.846 20 0 DHADLP CC(C)c1cc(N2CCC[C@H]([NH+]3CCCC3)C2)nc(C(C)C)[nH+]1 ZINC000301816235 336332008 /nfs/dbraw/zinc/33/20/08/336332008.db2.gz JEWBOFHURQDXQB-INIZCTEOSA-N 2 2 316.493 3.788 20 0 DHADLP CC(C)c1cc(NC[C@H](C)Cn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000301822073 336332309 /nfs/dbraw/zinc/33/23/09/336332309.db2.gz MNJLONZHKYBJFJ-AWEZNQCLSA-N 2 2 301.438 3.668 20 0 DHADLP Cc1cccc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000302800184 336369690 /nfs/dbraw/zinc/36/96/90/336369690.db2.gz BWUSDLDXOVMLSG-RDJZCZTQSA-N 2 2 303.356 3.526 20 0 DHADLP Cc1cccc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH+]1 ZINC000302800184 336369691 /nfs/dbraw/zinc/36/96/91/336369691.db2.gz BWUSDLDXOVMLSG-RDJZCZTQSA-N 2 2 303.356 3.526 20 0 DHADLP CC(C)c1nc(NC[C@@H]2CCC[N@H+](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302898185 336373716 /nfs/dbraw/zinc/37/37/16/336373716.db2.gz PRHROLVABHEILL-AWEZNQCLSA-N 2 2 304.482 3.651 20 0 DHADLP CC(C)c1nc(NC[C@@H]2CCC[N@@H+](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302898185 336373717 /nfs/dbraw/zinc/37/37/17/336373717.db2.gz PRHROLVABHEILL-AWEZNQCLSA-N 2 2 304.482 3.651 20 0 DHADLP COCC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(C)o1 ZINC000352970228 336380215 /nfs/dbraw/zinc/38/02/15/336380215.db2.gz UPUHDYZDTIFEFN-INIZCTEOSA-N 2 2 308.466 3.518 20 0 DHADLP Fc1ccc(C2=CC[C@H]([NH2+][C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000352969624 336380241 /nfs/dbraw/zinc/38/02/41/336380241.db2.gz SIDHXFVPHQIUTK-ROUUACIJSA-N 2 2 300.421 3.588 20 0 DHADLP Fc1ccc(C2=CC[C@H]([NH2+][C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000352969624 336380242 /nfs/dbraw/zinc/38/02/42/336380242.db2.gz SIDHXFVPHQIUTK-ROUUACIJSA-N 2 2 300.421 3.588 20 0 DHADLP CSCc1ccc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)cc1 ZINC000353063822 336392090 /nfs/dbraw/zinc/39/20/90/336392090.db2.gz OCWJLYBZBHIAMF-UHFFFAOYSA-N 2 2 311.454 3.796 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1C(C)(C)C1(C)C ZINC000354133819 336461209 /nfs/dbraw/zinc/46/12/09/336461209.db2.gz KPYOXWPCGIBEHI-HNNXBMFYSA-N 2 2 315.505 3.706 20 0 DHADLP Cc1ccc(CCC[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)c[nH+]1 ZINC000354183017 336462711 /nfs/dbraw/zinc/46/27/11/336462711.db2.gz WAIWGZBGEKOKIA-PMACEKPBSA-N 2 2 310.441 3.833 20 0 DHADLP CCc1cccc2c1OCC[C@H]2[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354331902 336467072 /nfs/dbraw/zinc/46/70/72/336467072.db2.gz GAOMLBLABCDWTP-LJQANCHMSA-N 2 2 310.441 3.998 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@H](C)Oc2ccc(F)cc2)c[nH+]1 ZINC000354463906 336471680 /nfs/dbraw/zinc/47/16/80/336471680.db2.gz PEEOVHOHDKBODG-HNNXBMFYSA-N 2 2 302.393 3.519 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)c[nH+]1 ZINC000354517426 336473390 /nfs/dbraw/zinc/47/33/90/336473390.db2.gz XULYYSQLQNASTR-NRFANRHFSA-N 2 2 323.484 3.577 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c[nH+]1 ZINC000354578855 336475702 /nfs/dbraw/zinc/47/57/02/336475702.db2.gz YWEGBAPJIUYJKH-WOJBJXKFSA-N 2 2 310.441 3.690 20 0 DHADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCC2 ZINC000358213499 336617060 /nfs/dbraw/zinc/61/70/60/336617060.db2.gz AHOPFWFLAUWCMF-LJQANCHMSA-N 2 2 321.424 3.553 20 0 DHADLP COCCC[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000358342702 336625057 /nfs/dbraw/zinc/62/50/57/336625057.db2.gz GHJOTXRVHCATTC-PKOBYXMFSA-N 2 2 315.461 3.646 20 0 DHADLP CCOc1ccc([C@@H](CC)[NH2+]CC[NH+]2CCCC2)cc1OCC ZINC000359513392 336675552 /nfs/dbraw/zinc/67/55/52/336675552.db2.gz FCHSUHQCIRSGCQ-QGZVFWFLSA-N 2 2 320.477 3.621 20 0 DHADLP Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000359529137 336676219 /nfs/dbraw/zinc/67/62/19/336676219.db2.gz JGHJQAYOGREKTF-ZIAGYGMSSA-N 2 2 310.401 3.889 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(C)oc3ccccc31)CCC2 ZINC000361227955 336745260 /nfs/dbraw/zinc/74/52/60/336745260.db2.gz NECVLUWMQFCRMJ-OAHLLOKOSA-N 2 2 309.413 3.913 20 0 DHADLP CC(C)C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000362032717 336782594 /nfs/dbraw/zinc/78/25/94/336782594.db2.gz PIAZTDKHPLQJRD-LJQANCHMSA-N 2 2 324.472 3.822 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C2 ZINC000368033907 336836203 /nfs/dbraw/zinc/83/62/03/336836203.db2.gz CHIPLBBSADETMK-IBGZPJMESA-N 2 2 317.436 3.886 20 0 DHADLP Cc1nc2c(s1)CCC[C@H]2C[NH2+]CCCc1c[nH+]ccc1C ZINC000368042165 336836512 /nfs/dbraw/zinc/83/65/12/336836512.db2.gz MNOFVBLCUPPKNW-INIZCTEOSA-N 2 2 315.486 3.797 20 0 DHADLP Cc1cc[nH+]cc1CCCN1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000368046183 336836631 /nfs/dbraw/zinc/83/66/31/336836631.db2.gz ZDQDONWMOWXQGE-HXUWFJFHSA-N 2 2 315.505 3.663 20 0 DHADLP Fc1ccc2c(c1)[C@H]([NH+]1CCC([NH2+]C3CCCC3)CC1)CC2 ZINC000370083170 336877324 /nfs/dbraw/zinc/87/73/24/336877324.db2.gz NZVOVDKOKUOXMT-LJQANCHMSA-N 2 2 302.437 3.810 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)no1 ZINC000375081287 337002873 /nfs/dbraw/zinc/00/28/73/337002873.db2.gz PTBNIDLWOSYWHP-JKSUJKDBSA-N 2 2 313.445 3.859 20 0 DHADLP Fc1cc(F)cc([C@H]2C[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2)c1 ZINC000376008977 337025140 /nfs/dbraw/zinc/02/51/40/337025140.db2.gz UXZAWORQKSIUTI-SAZUREKKSA-N 2 2 313.351 3.648 20 0 DHADLP CC1CC[NH+]([C@H](C[NH2+]Cc2ccn(C)c2)c2cccs2)CC1 ZINC000122926501 337030520 /nfs/dbraw/zinc/03/05/20/337030520.db2.gz RTAOSWXNRQDEGD-QGZVFWFLSA-N 2 2 317.502 3.649 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1C[C@@H](c3ccccc3)C1(C)C)C2 ZINC000376377861 337032286 /nfs/dbraw/zinc/03/22/86/337032286.db2.gz WUDDDKPKDLSDDK-OKZBNKHCSA-N 2 2 309.457 3.678 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)n1 ZINC000376402898 337032674 /nfs/dbraw/zinc/03/26/74/337032674.db2.gz WMZNFRCPGRTRLY-GOSISDBHSA-N 2 2 324.472 3.611 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)n1 ZINC000376402898 337032675 /nfs/dbraw/zinc/03/26/75/337032675.db2.gz WMZNFRCPGRTRLY-GOSISDBHSA-N 2 2 324.472 3.611 20 0 DHADLP CC(C)(C)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000376766774 337040666 /nfs/dbraw/zinc/04/06/66/337040666.db2.gz GFRNWQQKSKDCKK-UHFFFAOYSA-N 2 2 303.475 3.868 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000377411567 337052272 /nfs/dbraw/zinc/05/22/72/337052272.db2.gz LRQYUJMNOHHTCO-GXFFZTMASA-N 2 2 309.335 3.637 20 0 DHADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C(F)(F)F)cc1 ZINC000377411567 337052273 /nfs/dbraw/zinc/05/22/73/337052273.db2.gz LRQYUJMNOHHTCO-GXFFZTMASA-N 2 2 309.335 3.637 20 0 DHADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000377807922 337061769 /nfs/dbraw/zinc/06/17/69/337061769.db2.gz VENYYRAAIXQFHN-GRDNDAEWSA-N 2 2 319.474 3.778 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1nccc3ccccc31)CCC2 ZINC000377817156 337061832 /nfs/dbraw/zinc/06/18/32/337061832.db2.gz PTCPEHNFDYJVPK-NVXWUHKLSA-N 2 2 320.440 3.968 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000377887140 337063286 /nfs/dbraw/zinc/06/32/86/337063286.db2.gz CXZXJEZCYAUBIZ-OAHLLOKOSA-N 2 2 324.453 3.533 20 0 DHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000377887140 337063287 /nfs/dbraw/zinc/06/32/87/337063287.db2.gz CXZXJEZCYAUBIZ-OAHLLOKOSA-N 2 2 324.453 3.533 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCc1cccc(C)c1)CCC2 ZINC000378184860 337067846 /nfs/dbraw/zinc/06/78/46/337067846.db2.gz QEBYGMGMXKVLMJ-QFBILLFUSA-N 2 2 311.473 3.988 20 0 DHADLP Cc1cn2c([nH+]1)[C@@H](CNc1cc[nH+]c3cc(F)ccc13)CCC2 ZINC000378232321 337068498 /nfs/dbraw/zinc/06/84/98/337068498.db2.gz LKAGJIVWBUXHMV-CYBMUJFWSA-N 2 2 310.376 3.868 20 0 DHADLP FC(F)(F)c1ccc([C@@H]2CCC[C@H]2[NH2+]CCn2cc[nH+]c2)cc1 ZINC000378478798 337073827 /nfs/dbraw/zinc/07/38/27/337073827.db2.gz VTMQMFLNFQFJNZ-JKSUJKDBSA-N 2 2 323.362 3.828 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cs1 ZINC000378513561 337074784 /nfs/dbraw/zinc/07/47/84/337074784.db2.gz BUIOZXWEFATREF-QANKJYHBSA-N 2 2 315.486 3.795 20 0 DHADLP Cc1nc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cs1 ZINC000378513561 337074785 /nfs/dbraw/zinc/07/47/85/337074785.db2.gz BUIOZXWEFATREF-QANKJYHBSA-N 2 2 315.486 3.795 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(F)cc2)n1-c1ccccc1 ZINC000320958902 337081364 /nfs/dbraw/zinc/08/13/64/337081364.db2.gz LOLWNPOEEIXBCQ-UHFFFAOYSA-N 2 2 309.388 3.652 20 0 DHADLP COCc1cccc(C[NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000360052398 337084434 /nfs/dbraw/zinc/08/44/34/337084434.db2.gz BJIGSNRYHDSDGW-UHFFFAOYSA-N 2 2 321.424 3.523 20 0 DHADLP COc1cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)ccc1C ZINC000194263091 337089726 /nfs/dbraw/zinc/08/97/26/337089726.db2.gz ZORUKBBGLHKBFF-UHFFFAOYSA-N 2 2 309.413 3.602 20 0 DHADLP CC(C)n1cc[nH+]c1CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000172152542 337090188 /nfs/dbraw/zinc/09/01/88/337090188.db2.gz LLPKOBUWGHCUHF-QZTJIDSGSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)n1cc[nH+]c1CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000172152542 337090189 /nfs/dbraw/zinc/09/01/89/337090189.db2.gz LLPKOBUWGHCUHF-QZTJIDSGSA-N 2 2 318.509 3.550 20 0 DHADLP CC(C)c1nc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000172809401 337131276 /nfs/dbraw/zinc/13/12/76/337131276.db2.gz YDJJGKKZBZXDHT-SFHVURJKSA-N 2 2 324.472 3.558 20 0 DHADLP CC(C)c1nc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000172809401 337131277 /nfs/dbraw/zinc/13/12/77/337131277.db2.gz YDJJGKKZBZXDHT-SFHVURJKSA-N 2 2 324.472 3.558 20 0 DHADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000178185141 337161116 /nfs/dbraw/zinc/16/11/16/337161116.db2.gz GLVPPKOQZFKUMV-OPYAIIAOSA-N 2 2 323.484 3.685 20 0 DHADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000178185141 337161117 /nfs/dbraw/zinc/16/11/17/337161117.db2.gz GLVPPKOQZFKUMV-OPYAIIAOSA-N 2 2 323.484 3.685 20 0 DHADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000178756280 337164879 /nfs/dbraw/zinc/16/48/79/337164879.db2.gz XCNKTDNZYCKOAN-BXWFABGCSA-N 2 2 310.441 3.706 20 0 DHADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(C)o1 ZINC000180161441 337175087 /nfs/dbraw/zinc/17/50/87/337175087.db2.gz DEMAPCGADFHXHM-GFCCVEGCSA-N 2 2 318.383 3.964 20 0 DHADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663084 337177148 /nfs/dbraw/zinc/17/71/48/337177148.db2.gz WTSGXVDASVSKJC-INIZCTEOSA-N 3 2 323.444 3.508 20 0 DHADLP Cc1cccn2c(C[NH2+]Cc3ccc(OC(C)(C)C)nc3)c[nH+]c12 ZINC000180882645 337178376 /nfs/dbraw/zinc/17/83/76/337178376.db2.gz QNWCCMKKQUCEOC-UHFFFAOYSA-N 2 2 324.428 3.505 20 0 DHADLP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000184419621 337197116 /nfs/dbraw/zinc/19/71/16/337197116.db2.gz RMHRUDULQXZLRV-IAGOWNOFSA-N 2 2 324.472 3.661 20 0 DHADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000583152237 337246799 /nfs/dbraw/zinc/24/67/99/337246799.db2.gz UESYJYZUQLPGMO-NWDGAFQWSA-N 2 2 321.877 3.775 20 0 DHADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccccc2Cl)cs1 ZINC000583152237 337246800 /nfs/dbraw/zinc/24/68/00/337246800.db2.gz UESYJYZUQLPGMO-NWDGAFQWSA-N 2 2 321.877 3.775 20 0 DHADLP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000185504981 337248635 /nfs/dbraw/zinc/24/86/35/337248635.db2.gz SXIPKPZZUJCJBM-GPANFISMSA-N 2 2 318.427 3.915 20 0 DHADLP FC(F)(F)C1CCC(C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000185504981 337248636 /nfs/dbraw/zinc/24/86/36/337248636.db2.gz SXIPKPZZUJCJBM-GPANFISMSA-N 2 2 318.427 3.915 20 0 DHADLP CCSc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000186176025 337254242 /nfs/dbraw/zinc/25/42/42/337254242.db2.gz YZYAULCPYNPLGK-UHFFFAOYSA-N 2 2 304.503 3.859 20 0 DHADLP C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000188026991 337270147 /nfs/dbraw/zinc/27/01/47/337270147.db2.gz MGNLLJIQRXDSGT-SJLPKXTDSA-N 2 2 301.478 3.604 20 0 DHADLP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000188024784 337270191 /nfs/dbraw/zinc/27/01/91/337270191.db2.gz OBLMQDDOTAMERN-SJORKVTESA-N 2 2 324.472 3.661 20 0 DHADLP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000188420773 337273296 /nfs/dbraw/zinc/27/32/96/337273296.db2.gz YLVSBOMQEPYWFS-YMAMQOFZSA-N 2 2 315.383 3.716 20 0 DHADLP FC(F)(F)C1CCC(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000188420773 337273297 /nfs/dbraw/zinc/27/32/97/337273297.db2.gz YLVSBOMQEPYWFS-YMAMQOFZSA-N 2 2 315.383 3.716 20 0 DHADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000192034763 337302095 /nfs/dbraw/zinc/30/20/95/337302095.db2.gz VKPZNLZNMGHGHL-MRXNPFEDSA-N 2 2 322.880 3.799 20 0 DHADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000192034763 337302096 /nfs/dbraw/zinc/30/20/96/337302096.db2.gz VKPZNLZNMGHGHL-MRXNPFEDSA-N 2 2 322.880 3.799 20 0 DHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1nccs1 ZINC000192177823 337303757 /nfs/dbraw/zinc/30/37/57/337303757.db2.gz KUCMWKBKBABDKN-MRXNPFEDSA-N 2 2 312.442 3.878 20 0 DHADLP CC(C)c1nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000192959844 337308649 /nfs/dbraw/zinc/30/86/49/337308649.db2.gz AEBZXBXJWOYBNR-KRWDZBQOSA-N 2 2 310.445 3.534 20 0 DHADLP CC(C)c1nc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000192959844 337308650 /nfs/dbraw/zinc/30/86/50/337308650.db2.gz AEBZXBXJWOYBNR-KRWDZBQOSA-N 2 2 310.445 3.534 20 0 DHADLP [NH3+]C[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000583872547 337365213 /nfs/dbraw/zinc/36/52/13/337365213.db2.gz REEQHEWMTNOJAG-GFCCVEGCSA-N 2 2 321.877 3.634 20 0 DHADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000583872547 337365214 /nfs/dbraw/zinc/36/52/14/337365214.db2.gz REEQHEWMTNOJAG-GFCCVEGCSA-N 2 2 321.877 3.634 20 0 DHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C2 ZINC000112540112 337390621 /nfs/dbraw/zinc/39/06/21/337390621.db2.gz WVGKKJMYGMYPEF-SWLSCSKDSA-N 2 2 323.362 3.876 20 0 DHADLP c1cc2cccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c2[nH]1 ZINC000236768562 337465203 /nfs/dbraw/zinc/46/52/03/337465203.db2.gz ZYLAYQALDOZBDW-UHFFFAOYSA-N 2 2 302.381 3.643 20 0 DHADLP c1cc2cccc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)c2[nH]1 ZINC000236768050 337465213 /nfs/dbraw/zinc/46/52/13/337465213.db2.gz JHVYFWWEXNHTNH-UHFFFAOYSA-N 2 2 302.381 3.643 20 0 DHADLP COC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CCCC1 ZINC000527101099 337470026 /nfs/dbraw/zinc/47/00/26/337470026.db2.gz ANBIEUKVKIWHPZ-LPHOPBHVSA-N 2 2 318.505 3.911 20 0 DHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1nc(-c2ccccc2Cl)cs1 ZINC000420303021 337498991 /nfs/dbraw/zinc/49/89/91/337498991.db2.gz KFWNDOMVUXPMGI-MRXNPFEDSA-N 2 2 323.893 3.927 20 0 DHADLP CCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000161620819 337592432 /nfs/dbraw/zinc/59/24/32/337592432.db2.gz UVNTURGTADZHJX-QGZVFWFLSA-N 2 2 320.452 3.892 20 0 DHADLP COC1([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)CCCCC1 ZINC000421825325 337646375 /nfs/dbraw/zinc/64/63/75/337646375.db2.gz MVPNUBUTAUWLEY-MRXNPFEDSA-N 2 2 305.466 3.601 20 0 DHADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@H]3CC[NH2+]C3)cc2)c1 ZINC000422960121 337694960 /nfs/dbraw/zinc/69/49/60/337694960.db2.gz VFFXYJLZNLMZOP-APWZRJJASA-N 2 2 310.441 3.587 20 0 DHADLP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423123077 337700457 /nfs/dbraw/zinc/70/04/57/337700457.db2.gz LYWNWGDLOUKSEK-BMFZPTHFSA-N 2 2 314.395 3.528 20 0 DHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCCC2(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000423153042 337701886 /nfs/dbraw/zinc/70/18/86/337701886.db2.gz MVCJLQDFIHYWAD-OIISXLGYSA-N 2 2 324.415 3.513 20 0 DHADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000423261822 337707967 /nfs/dbraw/zinc/70/79/67/337707967.db2.gz KZEIHEUAEAFRLX-UKRRQHHQSA-N 2 2 303.475 3.834 20 0 DHADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000423263527 337708020 /nfs/dbraw/zinc/70/80/20/337708020.db2.gz ORPKXJFDBSIIER-ZFWWWQNUSA-N 2 2 303.475 3.834 20 0 DHADLP Fc1cncc([C@@H]([NH2+]CC[NH2+]C2CCCCCC2)C2CC2)c1 ZINC000423266743 337708303 /nfs/dbraw/zinc/70/83/03/337708303.db2.gz CEACNWUEPGUFAG-SFHVURJKSA-N 2 2 305.441 3.574 20 0 DHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000423393949 337718614 /nfs/dbraw/zinc/71/86/14/337718614.db2.gz ZARSEEWICRYASU-NEPJUHHUSA-N 2 2 321.465 3.906 20 0 DHADLP CC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C1CCOCC1 ZINC000527197909 337737601 /nfs/dbraw/zinc/73/76/01/337737601.db2.gz DXNMGPHDZUXQHV-VDGAXYAQSA-N 2 2 318.505 3.781 20 0 DHADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000119033046 337852843 /nfs/dbraw/zinc/85/28/43/337852843.db2.gz BZRRATCTZDGMTA-UYAOXDASSA-N 2 2 315.505 3.850 20 0 DHADLP CC[C@@H](C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1)[NH+]1CCCC1 ZINC000536948277 337857715 /nfs/dbraw/zinc/85/77/15/337857715.db2.gz MOIMEDCZWRJPAC-PKOBYXMFSA-N 2 2 302.462 3.610 20 0 DHADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000120652563 337877154 /nfs/dbraw/zinc/87/71/54/337877154.db2.gz HYYVDSUFXGMANH-LBPRGKRZSA-N 2 2 315.367 3.974 20 0 DHADLP Clc1cccc(Cl)c1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000537655629 337954094 /nfs/dbraw/zinc/95/40/94/337954094.db2.gz AXZQPEZMDGTREU-UHFFFAOYSA-N 2 2 306.196 3.931 20 0 DHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000315530842 337988214 /nfs/dbraw/zinc/98/82/14/337988214.db2.gz ZSQPSIKPYZJPAA-GOSISDBHSA-N 2 2 301.478 3.999 20 0 DHADLP Cc1nc2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2s1 ZINC000426399671 338030630 /nfs/dbraw/zinc/03/06/30/338030630.db2.gz BWOORDROPBUVSX-CQSZACIVSA-N 2 2 312.442 3.707 20 0 DHADLP Cc1nc2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2s1 ZINC000426399671 338030631 /nfs/dbraw/zinc/03/06/31/338030631.db2.gz BWOORDROPBUVSX-CQSZACIVSA-N 2 2 312.442 3.707 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428746437 338060256 /nfs/dbraw/zinc/06/02/56/338060256.db2.gz FNNXSXGZYOPWKK-DLBZAZTESA-N 2 2 317.383 3.658 20 0 DHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428746437 338060257 /nfs/dbraw/zinc/06/02/57/338060257.db2.gz FNNXSXGZYOPWKK-DLBZAZTESA-N 2 2 317.383 3.658 20 0 DHADLP Cc1cccc2c1C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000429573746 338084711 /nfs/dbraw/zinc/08/47/11/338084711.db2.gz NQIBKZXAMAXKPE-UHFFFAOYSA-N 2 2 303.409 3.739 20 0 DHADLP Cc1cccc2c1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000429573746 338084712 /nfs/dbraw/zinc/08/47/12/338084712.db2.gz NQIBKZXAMAXKPE-UHFFFAOYSA-N 2 2 303.409 3.739 20 0 DHADLP Cc1c[nH+]ccc1OC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000429709564 338088043 /nfs/dbraw/zinc/08/80/43/338088043.db2.gz QLKJCMRZMDGYSV-YVMONPNESA-N 2 2 308.425 3.947 20 0 DHADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000430040763 338094273 /nfs/dbraw/zinc/09/42/73/338094273.db2.gz JZGFMGRFZGXMLP-HLLBOEOZSA-N 2 2 308.416 3.847 20 0 DHADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000430040763 338094274 /nfs/dbraw/zinc/09/42/74/338094274.db2.gz JZGFMGRFZGXMLP-HLLBOEOZSA-N 2 2 308.416 3.847 20 0 DHADLP Cc1ccc(Nc2nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cs2)cc1 ZINC000430553702 338108487 /nfs/dbraw/zinc/10/84/87/338108487.db2.gz LNXNIFXYORMKII-KRWDZBQOSA-N 2 2 318.490 3.658 20 0 DHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000430554378 338108497 /nfs/dbraw/zinc/10/84/97/338108497.db2.gz MSRQHJKIXNZFPV-MRXNPFEDSA-N 2 2 323.893 3.927 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000430554189 338108517 /nfs/dbraw/zinc/10/85/17/338108517.db2.gz PUJFSKALHQTENR-AVGNSLFASA-N 2 2 322.403 3.552 20 0 DHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000430554189 338108518 /nfs/dbraw/zinc/10/85/18/338108518.db2.gz PUJFSKALHQTENR-AVGNSLFASA-N 2 2 322.403 3.552 20 0 DHADLP CC(C)c1ccc(-c2ncc(C[N@@H+]3CCC[C@H]3C[NH3+])s2)cc1 ZINC000430579191 338109139 /nfs/dbraw/zinc/10/91/39/338109139.db2.gz YCFQVSFYLGFICE-INIZCTEOSA-N 2 2 315.486 3.857 20 0 DHADLP CC(C)c1ccc(-c2ncc(C[N@H+]3CCC[C@H]3C[NH3+])s2)cc1 ZINC000430579191 338109140 /nfs/dbraw/zinc/10/91/40/338109140.db2.gz YCFQVSFYLGFICE-INIZCTEOSA-N 2 2 315.486 3.857 20 0 DHADLP c1ccc(CSCC[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000430756150 338113880 /nfs/dbraw/zinc/11/38/80/338113880.db2.gz BHBFSNJZWYKXLO-QGZVFWFLSA-N 2 2 304.503 3.526 20 0 DHADLP c1ccc(CSCC[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000430756150 338113881 /nfs/dbraw/zinc/11/38/81/338113881.db2.gz BHBFSNJZWYKXLO-QGZVFWFLSA-N 2 2 304.503 3.526 20 0 DHADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000431350135 338128812 /nfs/dbraw/zinc/12/88/12/338128812.db2.gz NRNGOSPCTFKINQ-INIZCTEOSA-N 2 2 308.853 3.548 20 0 DHADLP CC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432242813 338150051 /nfs/dbraw/zinc/15/00/51/338150051.db2.gz OZNOCZIFHUAQGH-UHFFFAOYSA-N 2 2 305.224 3.706 20 0 DHADLP COc1ccc([C@H](C[NH2+]C2CC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000433182089 338184624 /nfs/dbraw/zinc/18/46/24/338184624.db2.gz ZMPAFISUTNKIID-SFHVURJKSA-N 2 2 302.462 3.610 20 0 DHADLP c1cn(Cc2ccc(CNc3cc[nH+]c4ccccc34)cc2)c[nH+]1 ZINC000433791654 338202042 /nfs/dbraw/zinc/20/20/42/338202042.db2.gz DCQIYWKOIWWBLB-UHFFFAOYSA-N 2 2 314.392 3.514 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434797497 338225940 /nfs/dbraw/zinc/22/59/40/338225940.db2.gz YHFHOTBIPCAFGY-ZBCRRDGASA-N 2 2 318.427 3.962 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434797497 338225941 /nfs/dbraw/zinc/22/59/41/338225941.db2.gz YHFHOTBIPCAFGY-ZBCRRDGASA-N 2 2 318.427 3.962 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434797496 338225956 /nfs/dbraw/zinc/22/59/56/338225956.db2.gz YHFHOTBIPCAFGY-XUJLQICISA-N 2 2 318.427 3.962 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434797496 338225957 /nfs/dbraw/zinc/22/59/57/338225957.db2.gz YHFHOTBIPCAFGY-XUJLQICISA-N 2 2 318.427 3.962 20 0 DHADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000436305897 338268037 /nfs/dbraw/zinc/26/80/37/338268037.db2.gz HEHGNOLWZZDHCO-QFHJOOASSA-N 2 2 308.510 3.575 20 0 DHADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000436305897 338268038 /nfs/dbraw/zinc/26/80/38/338268038.db2.gz HEHGNOLWZZDHCO-QFHJOOASSA-N 2 2 308.510 3.575 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)c[nH+]1 ZINC000437343229 338307367 /nfs/dbraw/zinc/30/73/67/338307367.db2.gz CGCVTAHBMVKHSM-HXUWFJFHSA-N 3 2 315.505 3.709 20 0 DHADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)c[nH+]1 ZINC000437343229 338307368 /nfs/dbraw/zinc/30/73/68/338307368.db2.gz CGCVTAHBMVKHSM-HXUWFJFHSA-N 3 2 315.505 3.709 20 0 DHADLP C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000438086737 338330667 /nfs/dbraw/zinc/33/06/67/338330667.db2.gz IQZPCPKYQQFRJJ-HNNXBMFYSA-N 2 2 309.388 3.732 20 0 DHADLP CC[NH+](CC)Cc1nc(C2([NH2+]CCC(C)(C)C)CCCC2)no1 ZINC000438192529 338335927 /nfs/dbraw/zinc/33/59/27/338335927.db2.gz SAZQHURTFPSQHH-UHFFFAOYSA-N 2 2 322.497 3.707 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)CCC2 ZINC000438203968 338336388 /nfs/dbraw/zinc/33/63/88/338336388.db2.gz XKBNGFUOXNCULV-MELADBBJSA-N 2 2 315.383 3.780 20 0 DHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)CCC2 ZINC000438203966 338336429 /nfs/dbraw/zinc/33/64/29/338336429.db2.gz XKBNGFUOXNCULV-IHRRRGAJSA-N 2 2 315.383 3.780 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156578030 338371626 /nfs/dbraw/zinc/37/16/26/338371626.db2.gz VHEDDCQCOSILBX-DYEKYZERSA-N 2 2 309.523 3.882 20 0 DHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156578030 338371627 /nfs/dbraw/zinc/37/16/27/338371627.db2.gz VHEDDCQCOSILBX-DYEKYZERSA-N 2 2 309.523 3.882 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000467309248 338545140 /nfs/dbraw/zinc/54/51/40/338545140.db2.gz POMLHDUOGRBEIS-CEXWTWQISA-N 2 2 317.521 3.982 20 0 DHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449078932 338591449 /nfs/dbraw/zinc/59/14/49/338591449.db2.gz WXVVOLPUQJBAOG-UNEWFSDZSA-N 2 2 303.837 3.851 20 0 DHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000449152444 338597247 /nfs/dbraw/zinc/59/72/47/338597247.db2.gz FRCGOTOQCOKFPV-SFHVURJKSA-N 2 2 322.537 3.968 20 0 DHADLP CSCC1CCC([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000449172653 338599054 /nfs/dbraw/zinc/59/90/54/338599054.db2.gz WCBVHMAFNVCHNX-PCKAHOCUSA-N 2 2 307.507 3.580 20 0 DHADLP C[C@H](C[NH2+]CCCNc1cccc[nH+]1)c1cc(F)cc(F)c1 ZINC000449221271 338603596 /nfs/dbraw/zinc/60/35/96/338603596.db2.gz GHCQEGSJUACNOY-CYBMUJFWSA-N 2 2 305.372 3.555 20 0 DHADLP COCC1CCC([NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000449267661 338608288 /nfs/dbraw/zinc/60/82/88/338608288.db2.gz AUXYBYBLRLEFNU-KMEYYKJISA-N 2 2 318.505 3.781 20 0 DHADLP Cc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cs1 ZINC000449288798 338609776 /nfs/dbraw/zinc/60/97/76/338609776.db2.gz ODUSJSKOCLFVHR-UHFFFAOYSA-N 2 2 302.443 3.803 20 0 DHADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(C2CC2)c1 ZINC000449349101 338616028 /nfs/dbraw/zinc/61/60/28/338616028.db2.gz IMWQHUIYHWWHIS-ZDUSSCGKSA-N 2 2 315.486 3.933 20 0 DHADLP CCn1ccnc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449562674 338638122 /nfs/dbraw/zinc/63/81/22/338638122.db2.gz MZSRRADJCQUDRX-SOLBZPMBSA-N 2 2 318.509 3.597 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H]2CCO[C@@H](c3cccs3)C2)c[nH+]1 ZINC000449629998 338643000 /nfs/dbraw/zinc/64/30/00/338643000.db2.gz UUCXWHLEFJJCFN-DLBZAZTESA-N 2 2 316.470 3.894 20 0 DHADLP FC1(F)CC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000450720343 338701021 /nfs/dbraw/zinc/70/10/21/338701021.db2.gz YJWZDJIDGQMWCP-INIZCTEOSA-N 2 2 311.420 3.811 20 0 DHADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccncc1 ZINC000453095648 338793180 /nfs/dbraw/zinc/79/31/80/338793180.db2.gz WPXJQNRYWALFNH-JKSUJKDBSA-N 2 2 312.461 3.631 20 0 DHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453166089 338801799 /nfs/dbraw/zinc/80/17/99/338801799.db2.gz HGPVTAMPTKLAJI-MGPUTAFESA-N 2 2 313.489 3.775 20 0 DHADLP Cc1cc(F)c(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000459352381 339023820 /nfs/dbraw/zinc/02/38/20/339023820.db2.gz QMTMTICIPMXCCY-UHFFFAOYSA-N 2 2 307.800 3.890 20 0 DHADLP Cc1cc(F)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000459352381 339023821 /nfs/dbraw/zinc/02/38/21/339023821.db2.gz QMTMTICIPMXCCY-UHFFFAOYSA-N 2 2 307.800 3.890 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)no1 ZINC000459374028 339025409 /nfs/dbraw/zinc/02/54/09/339025409.db2.gz LOSLLALDKWAVFP-OAHLLOKOSA-N 2 2 313.445 3.505 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)no1 ZINC000459374028 339025410 /nfs/dbraw/zinc/02/54/10/339025410.db2.gz LOSLLALDKWAVFP-OAHLLOKOSA-N 2 2 313.445 3.505 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)no1 ZINC000459374027 339025424 /nfs/dbraw/zinc/02/54/24/339025424.db2.gz LOSLLALDKWAVFP-HNNXBMFYSA-N 2 2 313.445 3.505 20 0 DHADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)no1 ZINC000459374027 339025425 /nfs/dbraw/zinc/02/54/25/339025425.db2.gz LOSLLALDKWAVFP-HNNXBMFYSA-N 2 2 313.445 3.505 20 0 DHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000459412639 339027755 /nfs/dbraw/zinc/02/77/55/339027755.db2.gz PSTMFDFGUZCQAS-FDMDGMSGSA-N 2 2 315.486 3.982 20 0 DHADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000459412639 339027756 /nfs/dbraw/zinc/02/77/56/339027756.db2.gz PSTMFDFGUZCQAS-FDMDGMSGSA-N 2 2 315.486 3.982 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2cccc(F)c2o1 ZINC000459489300 339032387 /nfs/dbraw/zinc/03/23/87/339032387.db2.gz AEJDEBHLBYZYAQ-GFCCVEGCSA-N 2 2 302.393 3.849 20 0 DHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(F)cc(C)cc1Cl ZINC000459558771 339035684 /nfs/dbraw/zinc/03/56/84/339035684.db2.gz LIAIXDQQWHUAFA-UHFFFAOYSA-N 2 2 309.816 3.815 20 0 DHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(F)cc(C)cc1Cl ZINC000459558771 339035685 /nfs/dbraw/zinc/03/56/85/339035685.db2.gz LIAIXDQQWHUAFA-UHFFFAOYSA-N 2 2 309.816 3.815 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)nc1C ZINC000459661996 339041397 /nfs/dbraw/zinc/04/13/97/339041397.db2.gz GOWINSFQQCHYFY-OXJNMPFZSA-N 2 2 315.505 3.831 20 0 DHADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)nc1C ZINC000459661997 339041448 /nfs/dbraw/zinc/04/14/48/339041448.db2.gz GOWINSFQQCHYFY-OXQOHEQNSA-N 2 2 315.505 3.831 20 0 DHADLP CCCC[C@H](CCC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000461802123 339067372 /nfs/dbraw/zinc/06/73/72/339067372.db2.gz PGKHYHALOMDVEA-KRWDZBQOSA-N 2 2 303.494 3.995 20 0 DHADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000463010338 339100323 /nfs/dbraw/zinc/10/03/23/339100323.db2.gz MORAIRLAMNZGOL-VCBZYWHSSA-N 2 2 316.489 3.997 20 0 DHADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000463010338 339100324 /nfs/dbraw/zinc/10/03/24/339100324.db2.gz MORAIRLAMNZGOL-VCBZYWHSSA-N 2 2 316.489 3.997 20 0 DHADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000463010337 339100330 /nfs/dbraw/zinc/10/03/30/339100330.db2.gz MORAIRLAMNZGOL-DOXZYTNZSA-N 2 2 316.489 3.997 20 0 DHADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(OC(C)(C)C)cc1 ZINC000463010337 339100331 /nfs/dbraw/zinc/10/03/31/339100331.db2.gz MORAIRLAMNZGOL-DOXZYTNZSA-N 2 2 316.489 3.997 20 0 DHADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000463026479 339101224 /nfs/dbraw/zinc/10/12/24/339101224.db2.gz YPDFJKZKXPVQNL-RDJZCZTQSA-N 2 2 304.478 3.999 20 0 DHADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)C1 ZINC000463026479 339101225 /nfs/dbraw/zinc/10/12/25/339101225.db2.gz YPDFJKZKXPVQNL-RDJZCZTQSA-N 2 2 304.478 3.999 20 0 DHADLP CC1(C)C(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1(C)C ZINC000463246055 339111678 /nfs/dbraw/zinc/11/16/78/339111678.db2.gz PFHHEUKVKPDWBZ-UHFFFAOYSA-N 2 2 306.416 3.675 20 0 DHADLP CC1(C)CCC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000463280754 339113153 /nfs/dbraw/zinc/11/31/53/339113153.db2.gz MUWSIQXQRGLQRH-AWEZNQCLSA-N 2 2 306.416 3.962 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C[N@@H+]1C1CC1 ZINC000466471455 339206418 /nfs/dbraw/zinc/20/64/18/339206418.db2.gz CPOPSHQOOWYUMI-GALLPEHLSA-N 2 2 322.855 3.940 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C[N@H+]1C1CC1 ZINC000466471455 339206419 /nfs/dbraw/zinc/20/64/19/339206419.db2.gz CPOPSHQOOWYUMI-GALLPEHLSA-N 2 2 322.855 3.940 20 0 DHADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C1 ZINC000466471870 339206452 /nfs/dbraw/zinc/20/64/52/339206452.db2.gz GHZUGEFMLURRFY-NIUAORQVSA-N 2 2 310.844 3.655 20 0 DHADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)C1 ZINC000466471870 339206453 /nfs/dbraw/zinc/20/64/53/339206453.db2.gz GHZUGEFMLURRFY-NIUAORQVSA-N 2 2 310.844 3.655 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC000467312703 339231381 /nfs/dbraw/zinc/23/13/81/339231381.db2.gz IAJJZPCYKRUYLA-GUDVDZBRSA-N 2 2 315.505 3.880 20 0 DHADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467352397 339233431 /nfs/dbraw/zinc/23/34/31/339233431.db2.gz GUMJVRAEFQSQPR-CYBMUJFWSA-N 2 2 302.384 3.566 20 0 DHADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000467352397 339233432 /nfs/dbraw/zinc/23/34/32/339233432.db2.gz GUMJVRAEFQSQPR-CYBMUJFWSA-N 2 2 302.384 3.566 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC=C(C)CC2)C1 ZINC000467388168 339236112 /nfs/dbraw/zinc/23/61/12/339236112.db2.gz JNLLIPYXRBFSAA-MOPGFXCFSA-N 2 2 313.489 3.658 20 0 DHADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)C1 ZINC000467388168 339236113 /nfs/dbraw/zinc/23/61/13/339236113.db2.gz JNLLIPYXRBFSAA-MOPGFXCFSA-N 2 2 313.489 3.658 20 0 DHADLP CC[C@H](C[NH2+][C@@H](C)c1cncc(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000467750987 339245822 /nfs/dbraw/zinc/24/58/22/339245822.db2.gz DEOOMSQDHUXJCQ-LAUBAEHRSA-N 2 2 323.484 3.878 20 0 DHADLP CC[C@H](C[NH2+][C@@H](C)c1cncc(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000467750987 339245823 /nfs/dbraw/zinc/24/58/23/339245823.db2.gz DEOOMSQDHUXJCQ-LAUBAEHRSA-N 2 2 323.484 3.878 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000468047322 339252737 /nfs/dbraw/zinc/25/27/37/339252737.db2.gz JRPRDXGICPRUSX-UMVBOHGHSA-N 2 2 300.368 3.752 20 0 DHADLP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000468047322 339252738 /nfs/dbraw/zinc/25/27/38/339252738.db2.gz JRPRDXGICPRUSX-UMVBOHGHSA-N 2 2 300.368 3.752 20 0 DHADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000469874962 339303427 /nfs/dbraw/zinc/30/34/27/339303427.db2.gz YGJLOMOSRHPPQU-NXEZZACHSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000469874962 339303428 /nfs/dbraw/zinc/30/34/28/339303428.db2.gz YGJLOMOSRHPPQU-NXEZZACHSA-N 2 2 306.759 3.528 20 0 DHADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@H]1[NH3+] ZINC000469998323 339307788 /nfs/dbraw/zinc/30/77/88/339307788.db2.gz DBFKVQKFLACCIH-CXAGYDPISA-N 2 2 322.880 3.831 20 0 DHADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@H]1[NH3+] ZINC000469998323 339307789 /nfs/dbraw/zinc/30/77/89/339307789.db2.gz DBFKVQKFLACCIH-CXAGYDPISA-N 2 2 322.880 3.831 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470978338 339333658 /nfs/dbraw/zinc/33/36/58/339333658.db2.gz RWPMXYAJKSFTCW-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470978338 339333659 /nfs/dbraw/zinc/33/36/59/339333659.db2.gz RWPMXYAJKSFTCW-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470978338 339333660 /nfs/dbraw/zinc/33/36/60/339333660.db2.gz RWPMXYAJKSFTCW-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470978338 339333661 /nfs/dbraw/zinc/33/36/61/339333661.db2.gz RWPMXYAJKSFTCW-ZFWWWQNUSA-N 2 2 308.416 3.690 20 0 DHADLP C[C@H]([NH2+]C1CC(OC(C)(C)C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471592843 339348448 /nfs/dbraw/zinc/34/84/48/339348448.db2.gz HISMRELLOSCRKC-KUQKPQIMSA-N 2 2 304.478 3.614 20 0 DHADLP COc1ccsc1[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000472147525 339364327 /nfs/dbraw/zinc/36/43/27/339364327.db2.gz MZYSOVMREMAKQS-HNNXBMFYSA-N 2 2 318.486 3.929 20 0 DHADLP COc1ccsc1[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000472147525 339364328 /nfs/dbraw/zinc/36/43/28/339364328.db2.gz MZYSOVMREMAKQS-HNNXBMFYSA-N 2 2 318.486 3.929 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473140422 339382270 /nfs/dbraw/zinc/38/22/70/339382270.db2.gz CEZMCTRPOBJPSN-QGZVFWFLSA-N 2 2 313.489 3.948 20 0 DHADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000473140422 339382271 /nfs/dbraw/zinc/38/22/71/339382271.db2.gz CEZMCTRPOBJPSN-QGZVFWFLSA-N 2 2 313.489 3.948 20 0 DHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCC(F)(F)CC1 ZINC000474029253 339397732 /nfs/dbraw/zinc/39/77/32/339397732.db2.gz CZKXGTUJEUNODM-CQSZACIVSA-N 2 2 323.431 3.854 20 0 DHADLP Cc1ccc(CCC[NH2+][C@H](C)COc2ccc(F)cc2F)c[nH+]1 ZINC000474625830 339420744 /nfs/dbraw/zinc/42/07/44/339420744.db2.gz FQHPUFFUJIALPK-CQSZACIVSA-N 2 2 320.383 3.658 20 0 DHADLP C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000475355437 339448864 /nfs/dbraw/zinc/44/88/64/339448864.db2.gz VAEZRTGAATYROX-QSFCEBDXSA-N 2 2 304.400 3.570 20 0 DHADLP C[C@@H]1CCC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475359105 339449159 /nfs/dbraw/zinc/44/91/59/339449159.db2.gz UQNSXCABCBGOHE-GALLPEHLSA-N 2 2 304.400 3.570 20 0 DHADLP Cc1cc2[nH]c(C[NH2+]CCCNc3cccc[nH+]3)cc2c(C)c1 ZINC000479446698 339535444 /nfs/dbraw/zinc/53/54/44/339535444.db2.gz ODXXHGMJBTZJFZ-UHFFFAOYSA-N 2 2 308.429 3.772 20 0 DHADLP COc1cc(C)nc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000479595772 339542947 /nfs/dbraw/zinc/54/29/47/339542947.db2.gz WQYYKNFKSRBKMR-UHFFFAOYSA-N 2 2 319.493 3.533 20 0 DHADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000480334935 339569620 /nfs/dbraw/zinc/56/96/20/339569620.db2.gz NYIKYAKZVQJLCY-GDBMZVCRSA-N 2 2 316.411 3.870 20 0 DHADLP CC[C@@H]([NH2+]C[C@H](c1cccc(OC)c1)[NH+](CC)CC)C1CC1 ZINC000480393951 339572086 /nfs/dbraw/zinc/57/20/86/339572086.db2.gz GQCHQPGNXIDJPN-RTBURBONSA-N 2 2 304.478 3.856 20 0 DHADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000481963488 339618107 /nfs/dbraw/zinc/61/81/07/339618107.db2.gz QYMRWASEHDWDQI-UZLBHIALSA-N 2 2 312.457 3.957 20 0 DHADLP COC[C@@H](CC(C)C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000482949946 339648026 /nfs/dbraw/zinc/64/80/26/339648026.db2.gz USAHGKIRMMYBSV-FUHWJXTLSA-N 2 2 306.494 3.767 20 0 DHADLP C[C@H]([NH2+]C/C=C\c1ccncc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000487286057 339749270 /nfs/dbraw/zinc/74/92/70/339749270.db2.gz DNCMEYSICMNPJF-QGZUEGPWSA-N 2 2 304.397 3.631 20 0 DHADLP Fc1ccc2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)[nH]c2c1 ZINC000488284005 339775601 /nfs/dbraw/zinc/77/56/01/339775601.db2.gz KUZLNMOXFOTRMS-UHFFFAOYSA-N 2 2 315.436 3.757 20 0 DHADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CS1 ZINC000488353228 339778156 /nfs/dbraw/zinc/77/81/56/339778156.db2.gz UKRAXVIKZDYAJH-OTWHNJEPSA-N 2 2 318.530 3.943 20 0 DHADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)CS1 ZINC000488413491 339780563 /nfs/dbraw/zinc/78/05/63/339780563.db2.gz FNGLEFCOLRGPKB-CABCVRRESA-N 2 2 307.507 3.784 20 0 DHADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000488416849 339780826 /nfs/dbraw/zinc/78/08/26/339780826.db2.gz CVPJDZAJMJMBTJ-OKZBNKHCSA-N 2 2 320.546 3.669 20 0 DHADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)[C@@H](C)C2 ZINC000491365296 339859539 /nfs/dbraw/zinc/85/95/39/339859539.db2.gz DEUOZTICZWIEKO-YWZLYKJASA-N 2 2 305.425 3.708 20 0 DHADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494411856 339948434 /nfs/dbraw/zinc/94/84/34/339948434.db2.gz OZKWJIMWYSLHLG-IVOILVROSA-N 2 2 301.821 3.544 20 0 DHADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000502265343 340098057 /nfs/dbraw/zinc/09/80/57/340098057.db2.gz ABISEWSPWLJLPM-HBFSDRIKSA-N 2 2 309.457 3.642 20 0 DHADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000502706798 340111659 /nfs/dbraw/zinc/11/16/59/340111659.db2.gz JDHZWNXHMSUUOX-ULQDDVLXSA-N 2 2 322.518 3.680 20 0 DHADLP c1ccc([C@H]2C[C@H]2C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000503033657 340119237 /nfs/dbraw/zinc/11/92/37/340119237.db2.gz JAVNNTKMZLZQOY-DLBZAZTESA-N 2 2 305.425 3.889 20 0 DHADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503040938 340119554 /nfs/dbraw/zinc/11/95/54/340119554.db2.gz COGONNVVKJHSHD-MSOLQXFVSA-N 2 2 319.452 3.899 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000503073106 340120197 /nfs/dbraw/zinc/12/01/97/340120197.db2.gz MVWIIJMVSLGYPA-WOJBJXKFSA-N 2 2 312.432 3.989 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000503073106 340120198 /nfs/dbraw/zinc/12/01/98/340120198.db2.gz MVWIIJMVSLGYPA-WOJBJXKFSA-N 2 2 312.432 3.989 20 0 DHADLP CC[NH+]1CCC([N@H+](C)Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000506662259 340198880 /nfs/dbraw/zinc/19/88/80/340198880.db2.gz RBCBTUOIJUEWDI-UHFFFAOYSA-N 2 2 300.446 3.966 20 0 DHADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000506662259 340198881 /nfs/dbraw/zinc/19/88/81/340198881.db2.gz RBCBTUOIJUEWDI-UHFFFAOYSA-N 2 2 300.446 3.966 20 0 DHADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCCOC1 ZINC000507521722 340224320 /nfs/dbraw/zinc/22/43/20/340224320.db2.gz ADTRWQDIZIMRPN-SOLBZPMBSA-N 2 2 304.478 3.521 20 0 DHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccncc1F ZINC000511004788 340317984 /nfs/dbraw/zinc/31/79/84/340317984.db2.gz ZWLKACZDCRJUKY-YZVOILCLSA-N 2 2 319.468 3.914 20 0 DHADLP C[C@H]1CCCC[C@@H]1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000513207601 340397285 /nfs/dbraw/zinc/39/72/85/340397285.db2.gz BXHLYHQMADKPGG-DLBZAZTESA-N 2 2 301.478 3.856 20 0 DHADLP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000513544181 340412946 /nfs/dbraw/zinc/41/29/46/340412946.db2.gz DZIVCRQLMGHQNX-OOXMNIKJSA-N 2 2 324.921 3.770 20 0 DHADLP CCc1ccc([C@H](C[NH2+][C@@H](C)c2cncc(C)c2)[NH+](C)C)cc1 ZINC000184249994 340491459 /nfs/dbraw/zinc/49/14/59/340491459.db2.gz CEGGKDFEZRVQQD-JXFKEZNVSA-N 2 2 311.473 3.906 20 0 DHADLP COCc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000185686222 340504319 /nfs/dbraw/zinc/50/43/19/340504319.db2.gz ZHYQXRIPFNZHCO-JXFKEZNVSA-N 2 2 312.457 3.614 20 0 DHADLP CCCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193068345 340571990 /nfs/dbraw/zinc/57/19/90/340571990.db2.gz RNWLZBIBLBYMMQ-UHFFFAOYSA-N 2 2 319.474 3.757 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)ccc1OC ZINC000530219635 340782910 /nfs/dbraw/zinc/78/29/10/340782910.db2.gz MESTWQBWSCHZIT-GDBMZVCRSA-N 2 2 308.853 3.674 20 0 DHADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)F)cc1 ZINC000530224949 340783176 /nfs/dbraw/zinc/78/31/76/340783176.db2.gz WEMNLPAZLIQEDU-HUUCEWRRSA-N 2 2 310.388 3.613 20 0 DHADLP Cc1cccc(C)c1OC[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C ZINC000538324186 340818297 /nfs/dbraw/zinc/81/82/97/340818297.db2.gz AJWPQUUFDFSZMG-QGZVFWFLSA-N 2 2 315.461 3.583 20 0 DHADLP C[C@@H](CCSc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000130358509 341019468 /nfs/dbraw/zinc/01/94/68/341019468.db2.gz ZSULYHMMWHRSCE-INIZCTEOSA-N 2 2 303.475 3.776 20 0 DHADLP C[C@@H](CCSc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130358509 341019469 /nfs/dbraw/zinc/01/94/69/341019469.db2.gz ZSULYHMMWHRSCE-INIZCTEOSA-N 2 2 303.475 3.776 20 0 DHADLP c1cc(CCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cs1 ZINC000543061766 341029945 /nfs/dbraw/zinc/02/99/45/341029945.db2.gz ZQJMYNDQWBULJL-UHFFFAOYSA-N 2 2 301.459 3.652 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000543603174 341050821 /nfs/dbraw/zinc/05/08/21/341050821.db2.gz ZBVWZEVBTDYDJQ-OKZBNKHCSA-N 2 2 304.865 3.934 20 0 DHADLP Clc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000543603174 341050822 /nfs/dbraw/zinc/05/08/22/341050822.db2.gz ZBVWZEVBTDYDJQ-OKZBNKHCSA-N 2 2 304.865 3.934 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000072051995 341057845 /nfs/dbraw/zinc/05/78/45/341057845.db2.gz BLXQLAAFUKNPCF-SFHVURJKSA-N 2 2 304.453 3.770 20 0 DHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000072051995 341057846 /nfs/dbraw/zinc/05/78/46/341057846.db2.gz BLXQLAAFUKNPCF-SFHVURJKSA-N 2 2 304.453 3.770 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544936615 341100352 /nfs/dbraw/zinc/10/03/52/341100352.db2.gz BVTSLAYWXGDRCR-CVEARBPZSA-N 2 2 314.395 3.972 20 0 DHADLP CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000544936615 341100353 /nfs/dbraw/zinc/10/03/53/341100353.db2.gz BVTSLAYWXGDRCR-CVEARBPZSA-N 2 2 314.395 3.972 20 0 DHADLP FC(F)(F)C1CCC(C[NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000545220480 341115228 /nfs/dbraw/zinc/11/52/28/341115228.db2.gz JPHVQEPIYLCNLG-UHFFFAOYSA-N 2 2 303.372 3.622 20 0 DHADLP C[C@H]1CCC[C@H](C)C1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132238432 341119140 /nfs/dbraw/zinc/11/91/40/341119140.db2.gz IGNPGQQTNBVXTH-IRXDYDNUSA-N 2 2 311.473 3.888 20 0 DHADLP CC(C)CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000132370684 341121549 /nfs/dbraw/zinc/12/15/49/341121549.db2.gz DXOLUJMHJHEOGL-QGZVFWFLSA-N 2 2 303.494 3.850 20 0 DHADLP CC[N@@H+](Cc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108598 341201055 /nfs/dbraw/zinc/20/10/55/341201055.db2.gz UVDPXLQYDPYTCB-UHFFFAOYSA-N 2 2 309.457 3.820 20 0 DHADLP CC[N@H+](Cc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108598 341201056 /nfs/dbraw/zinc/20/10/56/341201056.db2.gz UVDPXLQYDPYTCB-UHFFFAOYSA-N 2 2 309.457 3.820 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+]Cc1cccc2c[nH]nc21)c1ccccc1 ZINC000236849773 341203117 /nfs/dbraw/zinc/20/31/17/341203117.db2.gz NZNPJKBPEWXDBY-IBGZPJMESA-N 2 2 322.456 3.736 20 0 DHADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)CC1CCOCC1)c1ccccc1 ZINC000134053824 341205426 /nfs/dbraw/zinc/20/54/26/341205426.db2.gz CSYRIBHPUPYCGA-XLIONFOSSA-N 2 2 318.505 3.864 20 0 DHADLP COc1ccc([C@H](C[NH2+]CCC(C)(C)C)[NH+]2CCCC2)cc1 ZINC000237259944 341210266 /nfs/dbraw/zinc/21/02/66/341210266.db2.gz PIMGYDIZRWOQMF-SFHVURJKSA-N 2 2 304.478 3.858 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237361018 341212509 /nfs/dbraw/zinc/21/25/09/341212509.db2.gz RFPKPIBGZDVAFN-PKOBYXMFSA-N 2 2 312.457 3.855 20 0 DHADLP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237361018 341212510 /nfs/dbraw/zinc/21/25/10/341212510.db2.gz RFPKPIBGZDVAFN-PKOBYXMFSA-N 2 2 312.457 3.855 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136088260 341252594 /nfs/dbraw/zinc/25/25/94/341252594.db2.gz DYWRPOIQQWLNRP-IGCXYCKISA-N 2 2 305.372 3.805 20 0 DHADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136088260 341252595 /nfs/dbraw/zinc/25/25/95/341252595.db2.gz DYWRPOIQQWLNRP-IGCXYCKISA-N 2 2 305.372 3.805 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)CCS2 ZINC000548306100 341255316 /nfs/dbraw/zinc/25/53/16/341255316.db2.gz FXOZRXMOUGIJPA-SUMWQHHRSA-N 2 2 304.503 3.772 20 0 DHADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)CCS2 ZINC000548306100 341255317 /nfs/dbraw/zinc/25/53/17/341255317.db2.gz FXOZRXMOUGIJPA-SUMWQHHRSA-N 2 2 304.503 3.772 20 0 DHADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@H]4C[C@H]43)c(C)c2)CC1 ZINC000549042814 341284695 /nfs/dbraw/zinc/28/46/95/341284695.db2.gz NCKVAOAVQWTTQI-ILZDJORESA-N 2 2 313.489 3.737 20 0 DHADLP C[C@@H](Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1[nH+]ccn1C ZINC000245627812 341306141 /nfs/dbraw/zinc/30/61/41/341306141.db2.gz SBJJGXGEKCYKEO-JKSUJKDBSA-N 2 2 312.461 3.968 20 0 DHADLP C[C@@H](Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1[nH+]ccn1C ZINC000245627812 341306142 /nfs/dbraw/zinc/30/61/42/341306142.db2.gz SBJJGXGEKCYKEO-JKSUJKDBSA-N 2 2 312.461 3.968 20 0 DHADLP Cc1ccccc1CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000551092737 341331532 /nfs/dbraw/zinc/33/15/32/341331532.db2.gz CBWMCAYECXEZMH-LEWJYISDSA-N 2 2 308.469 3.963 20 0 DHADLP Cc1ccccc1CCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000551092737 341331533 /nfs/dbraw/zinc/33/15/33/341331533.db2.gz CBWMCAYECXEZMH-LEWJYISDSA-N 2 2 308.469 3.963 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000551534183 341344382 /nfs/dbraw/zinc/34/43/82/341344382.db2.gz UBWYGNLJGQINSK-LGEIONFXSA-N 2 2 316.489 3.506 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000551534183 341344383 /nfs/dbraw/zinc/34/43/83/341344383.db2.gz UBWYGNLJGQINSK-LGEIONFXSA-N 2 2 316.489 3.506 20 0 DHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000551534940 341344493 /nfs/dbraw/zinc/34/44/93/341344493.db2.gz SFSQEEIDJYMMNB-UKRRQHHQSA-N 2 2 310.869 3.872 20 0 DHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1Cl ZINC000551534940 341344494 /nfs/dbraw/zinc/34/44/94/341344494.db2.gz SFSQEEIDJYMMNB-UKRRQHHQSA-N 2 2 310.869 3.872 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1 ZINC000551542150 341344765 /nfs/dbraw/zinc/34/47/65/341344765.db2.gz ZFCGFFVMQVQTDM-PWIZWCRZSA-N 2 2 316.489 3.509 20 0 DHADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246421098 341348282 /nfs/dbraw/zinc/34/82/82/341348282.db2.gz SYEDJTVDYSWVGH-NEPJUHHUSA-N 2 2 301.261 3.938 20 0 DHADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246421098 341348283 /nfs/dbraw/zinc/34/82/83/341348283.db2.gz SYEDJTVDYSWVGH-NEPJUHHUSA-N 2 2 301.261 3.938 20 0 DHADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000551791991 341351816 /nfs/dbraw/zinc/35/18/16/341351816.db2.gz XQGUEGFUBVZHPE-LNKGRISISA-N 2 2 316.489 3.651 20 0 DHADLP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246586832 341353998 /nfs/dbraw/zinc/35/39/98/341353998.db2.gz ZDSXDWKREHOUNS-IEBWSBKVSA-N 2 2 317.521 3.954 20 0 DHADLP CC(C)CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246586832 341353999 /nfs/dbraw/zinc/35/39/99/341353999.db2.gz ZDSXDWKREHOUNS-IEBWSBKVSA-N 2 2 317.521 3.954 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247012675 341359916 /nfs/dbraw/zinc/35/99/16/341359916.db2.gz XMHGITFFRRMXBP-LBTNJELSSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247012675 341359917 /nfs/dbraw/zinc/35/99/17/341359917.db2.gz XMHGITFFRRMXBP-LBTNJELSSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247012675 341359918 /nfs/dbraw/zinc/35/99/18/341359918.db2.gz XMHGITFFRRMXBP-LBTNJELSSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@H](c1c(F)cccc1F)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247012675 341359919 /nfs/dbraw/zinc/35/99/19/341359919.db2.gz XMHGITFFRRMXBP-LBTNJELSSA-N 2 2 320.427 3.975 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc(F)c2)CC[N@@H+]1C ZINC000247022658 341360075 /nfs/dbraw/zinc/36/00/75/341360075.db2.gz KVRLSCUFMDDLNQ-UIAACRFSSA-N 2 2 312.432 3.987 20 0 DHADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc(F)c2)CC[N@H+]1C ZINC000247022658 341360076 /nfs/dbraw/zinc/36/00/76/341360076.db2.gz KVRLSCUFMDDLNQ-UIAACRFSSA-N 2 2 312.432 3.987 20 0 DHADLP CCc1ccc([C@H](C[NH2+]C[C@@H]2CCSC2)[NH+](CC)CC)cc1 ZINC000552278037 341383448 /nfs/dbraw/zinc/38/34/48/341383448.db2.gz RPRKMACRPGTONK-HKUYNNGSSA-N 2 2 320.546 3.975 20 0 DHADLP CC1CC([NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248690697 341384407 /nfs/dbraw/zinc/38/44/07/341384407.db2.gz AWTXYRFDNAYFNL-MHUGCLMDSA-N 2 2 310.844 3.860 20 0 DHADLP CC1CC([NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000248690697 341384408 /nfs/dbraw/zinc/38/44/08/341384408.db2.gz AWTXYRFDNAYFNL-MHUGCLMDSA-N 2 2 310.844 3.860 20 0 DHADLP Clc1csc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248738708 341385474 /nfs/dbraw/zinc/38/54/74/341385474.db2.gz PHXLSKZYVBCLLZ-BLLLJJGKSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248738708 341385475 /nfs/dbraw/zinc/38/54/75/341385475.db2.gz PHXLSKZYVBCLLZ-BLLLJJGKSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000248738708 341385476 /nfs/dbraw/zinc/38/54/76/341385476.db2.gz PHXLSKZYVBCLLZ-BLLLJJGKSA-N 2 2 310.894 3.850 20 0 DHADLP Clc1csc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000248738708 341385477 /nfs/dbraw/zinc/38/54/77/341385477.db2.gz PHXLSKZYVBCLLZ-BLLLJJGKSA-N 2 2 310.894 3.850 20 0 DHADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1nc2c(s1)CCCC2 ZINC000093370065 341470085 /nfs/dbraw/zinc/47/00/85/341470085.db2.gz DTQZYYURPYKINO-GFCCVEGCSA-N 2 2 321.534 3.982 20 0 DHADLP Cc1[nH+]cc(C[NH2+]CCOc2ccccc2-c2ccccc2)n1C ZINC000566573191 341562251 /nfs/dbraw/zinc/56/22/51/341562251.db2.gz YITILLDURFSEJJ-UHFFFAOYSA-N 2 2 321.424 3.564 20 0 DHADLP Cc1nc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000268735163 341603160 /nfs/dbraw/zinc/60/31/60/341603160.db2.gz BNQMPCYLBLIYAW-ZDUSSCGKSA-N 2 2 312.442 3.531 20 0 DHADLP c1cn(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2)c[nH+]1 ZINC000155711225 341611719 /nfs/dbraw/zinc/61/17/19/341611719.db2.gz PNBHKYWZGIJPHF-FQEVSTJZSA-N 2 2 305.425 3.847 20 0 DHADLP CCCOC1(C[NH2+]Cc2c[nH+]c3c(C)cccn23)CCCCC1 ZINC000567521544 341612202 /nfs/dbraw/zinc/61/22/02/341612202.db2.gz JQSPHAKPDXZNPV-UHFFFAOYSA-N 2 2 315.461 3.862 20 0 DHADLP CC(C)Cc1ccc([C@H](C[NH2+]CC[C@@H]2CCOC2)[NH+](C)C)cc1 ZINC000567966112 341642971 /nfs/dbraw/zinc/64/29/71/341642971.db2.gz OUUKYNGYAAHPKQ-QUCCMNQESA-N 2 2 318.505 3.504 20 0 DHADLP CCCOc1ccc(C(C)(C)[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000580658933 341893918 /nfs/dbraw/zinc/89/39/18/341893918.db2.gz GTPOXMSXIZHCJL-UHFFFAOYSA-N 2 2 301.434 3.542 20 0 DHADLP CCOc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1OC ZINC000577726218 341932115 /nfs/dbraw/zinc/93/21/15/341932115.db2.gz RKOJIKGIYAPGIK-OAHLLOKOSA-N 2 2 314.429 3.691 20 0 DHADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1C(C)(C)C1(C)C ZINC000354133820 518178073 /nfs/dbraw/zinc/17/80/73/518178073.db2.gz KPYOXWPCGIBEHI-OAHLLOKOSA-N 2 2 315.505 3.706 20 0 DHADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367599285 518708076 /nfs/dbraw/zinc/70/80/76/518708076.db2.gz HIGAIOPDSQVXOX-KRWDZBQOSA-N 2 2 318.509 3.884 20 0 DHADLP CC[NH+](CC)CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000338284779 520625213 /nfs/dbraw/zinc/62/52/13/520625213.db2.gz JITFMXOCOBTVNH-IBGZPJMESA-N 2 2 315.436 3.632 20 0 DHADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000159267720 521580335 /nfs/dbraw/zinc/58/03/35/521580335.db2.gz GKELQCGXHFMCRV-LBPRGKRZSA-N 2 2 316.367 3.720 20 0 DHADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000159319361 521580997 /nfs/dbraw/zinc/58/09/97/521580997.db2.gz HSIJUWPTCRWVDJ-LLVKDONJSA-N 2 2 316.367 3.562 20 0 DHADLP CCOC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000188688635 521625926 /nfs/dbraw/zinc/62/59/26/521625926.db2.gz BUTZQHLSDLLYPE-UHFFFAOYSA-N 2 2 324.896 3.709 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(C2CC2)n1 ZINC000191499823 521662432 /nfs/dbraw/zinc/66/24/32/521662432.db2.gz JYWCWCJEIHTKDQ-UHFFFAOYSA-N 2 2 318.490 3.692 20 0 DHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000191499823 521662434 /nfs/dbraw/zinc/66/24/34/521662434.db2.gz JYWCWCJEIHTKDQ-UHFFFAOYSA-N 2 2 318.490 3.692 20 0 DHADLP CCc1nc2c(s1)[C@H]([N@@H+](C)CCC[NH+](CC)CC)CCC2 ZINC000338279635 522477066 /nfs/dbraw/zinc/47/70/66/522477066.db2.gz ZUIUMCYVVMGSDE-OAHLLOKOSA-N 2 2 309.523 3.747 20 0 DHADLP CCc1nc2c(s1)[C@H]([N@H+](C)CCC[NH+](CC)CC)CCC2 ZINC000338279635 522477075 /nfs/dbraw/zinc/47/70/75/522477075.db2.gz ZUIUMCYVVMGSDE-OAHLLOKOSA-N 2 2 309.523 3.747 20 0 DHADLP CCc1[nH+]c2cc(C[NH2+]C[C@H]3CCSC3)ccc2n1C1CC1 ZINC000338435139 522482417 /nfs/dbraw/zinc/48/24/17/522482417.db2.gz BECGGCRDQMRAHL-CQSZACIVSA-N 2 2 315.486 3.776 20 0 DHADLP CC[C@H]([NH2+]Cc1ccnc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000363835977 522660517 /nfs/dbraw/zinc/66/05/17/522660517.db2.gz ZBAFRYBBBQCLOC-KRWDZBQOSA-N 2 2 310.376 3.647 20 0 DHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(-c2cccs2)n1 ZINC000124398286 522802086 /nfs/dbraw/zinc/80/20/86/522802086.db2.gz UHMRHCWITAFZMC-UHFFFAOYSA-N 2 2 318.471 3.590 20 0 DHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(-c2cccs2)n1 ZINC000124398286 522802095 /nfs/dbraw/zinc/80/20/95/522802095.db2.gz UHMRHCWITAFZMC-UHFFFAOYSA-N 2 2 318.471 3.590 20 0 DHADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337345218 523176141 /nfs/dbraw/zinc/17/61/41/523176141.db2.gz UTHPUCOSTYFFRT-DFQSSKMNSA-N 2 2 315.505 3.962 20 0 DHADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337345218 523176149 /nfs/dbraw/zinc/17/61/49/523176149.db2.gz UTHPUCOSTYFFRT-DFQSSKMNSA-N 2 2 315.505 3.962 20 0 DHADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000124677714 523823455 /nfs/dbraw/zinc/82/34/55/523823455.db2.gz LEMYFESSHSXMFT-GDBMZVCRSA-N 2 2 315.486 3.918 20 0 DHADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000124677714 523823460 /nfs/dbraw/zinc/82/34/60/523823460.db2.gz LEMYFESSHSXMFT-GDBMZVCRSA-N 2 2 315.486 3.918 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000124677714 523823464 /nfs/dbraw/zinc/82/34/64/523823464.db2.gz LEMYFESSHSXMFT-GDBMZVCRSA-N 2 2 315.486 3.918 20 0 DHADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000124677714 523823467 /nfs/dbraw/zinc/82/34/67/523823467.db2.gz LEMYFESSHSXMFT-GDBMZVCRSA-N 2 2 315.486 3.918 20 0 DHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)[C@@H]1c1ccccc1 ZINC000270257681 523968512 /nfs/dbraw/zinc/96/85/12/523968512.db2.gz HPAGLTDWZOHAJJ-QUCCMNQESA-N 2 2 305.425 3.703 20 0 DHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)[C@@H]1c1ccccc1 ZINC000270257681 523968519 /nfs/dbraw/zinc/96/85/19/523968519.db2.gz HPAGLTDWZOHAJJ-QUCCMNQESA-N 2 2 305.425 3.703 20 0 DHADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337325990 524112282 /nfs/dbraw/zinc/11/22/82/524112282.db2.gz CFDBCQKLHXKNCA-ZHALLVOQSA-N 2 2 301.478 3.572 20 0 DHADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337325990 524112291 /nfs/dbraw/zinc/11/22/91/524112291.db2.gz CFDBCQKLHXKNCA-ZHALLVOQSA-N 2 2 301.478 3.572 20 0 DHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155670550 524272741 /nfs/dbraw/zinc/27/27/41/524272741.db2.gz BUMHCZAASFKLPP-MRXNPFEDSA-N 2 2 321.424 3.910 20 0 DHADLP Cc1cc(C)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C)[nH+]1 ZINC000337140082 524305000 /nfs/dbraw/zinc/30/50/00/524305000.db2.gz MYYOTLLIIODTNZ-UHFFFAOYSA-N 2 2 320.396 3.504 20 0 DHADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000337381414 524449030 /nfs/dbraw/zinc/44/90/30/524449030.db2.gz JLKURCPJWCWHMT-OAHLLOKOSA-N 2 2 315.486 3.969 20 0 DHADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000337381414 524449041 /nfs/dbraw/zinc/44/90/41/524449041.db2.gz JLKURCPJWCWHMT-OAHLLOKOSA-N 2 2 315.486 3.969 20 0 DHADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)Cc1ccccc1 ZINC000182054104 524736245 /nfs/dbraw/zinc/73/62/45/524736245.db2.gz CRMSYLKHKBNECY-GOSISDBHSA-N 2 2 323.484 3.514 20 0 DHADLP C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337318196 524757444 /nfs/dbraw/zinc/75/74/44/524757444.db2.gz MGOVJZKDDTZIFL-HZPDHXFCSA-N 2 2 306.413 3.549 20 0 DHADLP C[C@@H](CSC(C)(C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000156241766 524837001 /nfs/dbraw/zinc/83/70/01/524837001.db2.gz QGQFWQSHLJWGQX-AWEZNQCLSA-N 2 2 307.507 3.560 20 0 DHADLP C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181490461 525444414 /nfs/dbraw/zinc/44/44/14/525444414.db2.gz NDUOAUHQTSUGJJ-MRXNPFEDSA-N 2 2 306.413 3.551 20 0 DHADLP C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156375072 525500527 /nfs/dbraw/zinc/50/05/27/525500527.db2.gz HMIRCEMIHPPKFW-RHSMWYFYSA-N 2 2 301.459 3.809 20 0 DHADLP Cc1ccc(-c2cnc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)o2)cc1 ZINC000266713974 525769746 /nfs/dbraw/zinc/76/97/46/525769746.db2.gz FSLIXOCPTKHKRQ-NVXWUHKLSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cnc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)o2)cc1 ZINC000266713974 525769754 /nfs/dbraw/zinc/76/97/54/525769754.db2.gz FSLIXOCPTKHKRQ-NVXWUHKLSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cnc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000266713974 525769760 /nfs/dbraw/zinc/76/97/60/525769760.db2.gz FSLIXOCPTKHKRQ-NVXWUHKLSA-N 2 2 313.445 3.565 20 0 DHADLP Cc1ccc(-c2cnc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)o2)cc1 ZINC000266713974 525769767 /nfs/dbraw/zinc/76/97/67/525769767.db2.gz FSLIXOCPTKHKRQ-NVXWUHKLSA-N 2 2 313.445 3.565 20 0 DHADLP C[C@H](c1nc2ccccc2s1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162825380 526180975 /nfs/dbraw/zinc/18/09/75/526180975.db2.gz WXFAZSKZSVMVJE-KGLIPLIRSA-N 2 2 303.475 3.773 20 0 DHADLP C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162825380 526180987 /nfs/dbraw/zinc/18/09/87/526180987.db2.gz WXFAZSKZSVMVJE-KGLIPLIRSA-N 2 2 303.475 3.773 20 0 DHADLP C[C@H](c1nc2ccccc2s1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000162825380 526180995 /nfs/dbraw/zinc/18/09/95/526180995.db2.gz WXFAZSKZSVMVJE-KGLIPLIRSA-N 2 2 303.475 3.773 20 0 DHADLP C[C@H](c1nc2ccccc2s1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000162825380 526180999 /nfs/dbraw/zinc/18/09/99/526180999.db2.gz WXFAZSKZSVMVJE-KGLIPLIRSA-N 2 2 303.475 3.773 20 0 DHADLP FCCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000337985259 526284978 /nfs/dbraw/zinc/28/49/78/526284978.db2.gz FBKXJSYPLBTYPT-SJLPKXTDSA-N 2 2 301.409 3.880 20 0 DHADLP Fc1ccccc1SCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266803899 526416447 /nfs/dbraw/zinc/41/64/47/526416447.db2.gz ZOQAUZWERPZQIO-UHFFFAOYSA-N 2 2 305.422 3.521 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000180791761 526436431 /nfs/dbraw/zinc/43/64/31/526436431.db2.gz NEJRTLSFUQAAJZ-HNNXBMFYSA-N 2 2 312.413 3.646 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000180791761 526436436 /nfs/dbraw/zinc/43/64/36/526436436.db2.gz NEJRTLSFUQAAJZ-HNNXBMFYSA-N 2 2 312.413 3.646 20 0 DHADLP c1cc(Oc2ccccc2)oc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000180781203 526436582 /nfs/dbraw/zinc/43/65/82/526436582.db2.gz BVNDUGDXKVRPDV-UHFFFAOYSA-N 2 2 312.413 3.788 20 0 DHADLP c1ccc(N2CCC([NH2+]CCCCNc3cccc[nH+]3)CC2)cc1 ZINC000162883317 526480209 /nfs/dbraw/zinc/48/02/09/526480209.db2.gz SAJCEQRXXCFNOQ-UHFFFAOYSA-N 2 2 324.472 3.532 20 0 DHADLP c1cncc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCC34CCCC4)C2)c1 ZINC000365064445 526546230 /nfs/dbraw/zinc/54/62/30/526546230.db2.gz CPMRFJLEBWNRSW-OALUTQOASA-N 2 2 313.489 3.606 20 0 DHADLP c1cncc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCC34CCCC4)C2)c1 ZINC000365064445 526546235 /nfs/dbraw/zinc/54/62/35/526546235.db2.gz CPMRFJLEBWNRSW-OALUTQOASA-N 2 2 313.489 3.606 20 0 DHADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCCS2)n1-c1ccccc1 ZINC000156408089 527272187 /nfs/dbraw/zinc/27/21/87/527272187.db2.gz URJAVGQKSCXYTC-QGZVFWFLSA-N 2 2 301.459 3.556 20 0 DHADLP FC(F)(F)c1cscc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000356108983 527690126 /nfs/dbraw/zinc/69/01/26/527690126.db2.gz KENUCCJEEPBSEP-LBPRGKRZSA-N 2 2 318.408 3.685 20 0 DHADLP FC(F)(F)c1cscc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000356108983 527690127 /nfs/dbraw/zinc/69/01/27/527690127.db2.gz KENUCCJEEPBSEP-LBPRGKRZSA-N 2 2 318.408 3.685 20 0 DHADLP FC(F)Oc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157266052 527697052 /nfs/dbraw/zinc/69/70/52/527697052.db2.gz IMVVBBVLXJBNLT-INIZCTEOSA-N 2 2 324.415 3.738 20 0 DHADLP FC(F)Oc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157266052 527697053 /nfs/dbraw/zinc/69/70/53/527697053.db2.gz IMVVBBVLXJBNLT-INIZCTEOSA-N 2 2 324.415 3.738 20 0 DHADLP